USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=25 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 17 MET CE :methyl 165:sc= -0.0183 (180deg=0) USER MOD Set 1.2: A 109 LYS NZ :NH3+ -151:sc= 0.114 (180deg=0.103) USER MOD Single : A 4 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0206) USER MOD Single : A 7 LYS NZ :NH3+ 155:sc=-0.00437 (180deg=-0.194) USER MOD Single : A 15 SER OG : rot -51:sc= 0.00234 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.258 F(o=-0.95,f=-0.26) USER MOD Single : A 32 ASN : amide:sc= -0.465 X(o=-0.47,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.63 (180deg=-1.22!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot -68:sc= -3.34! USER MOD Single : A 56 SER OG : rot 125:sc= -0.0452! USER MOD Single : A 59 ASN :FLIP amide:sc= -0.793! F(o=-3.7,f=-0.79!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.938! C(o=-5.1!,f=-0.94!) 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 104:sc= 0.955 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 71:sc= 1.12 USER MOD Single : A 85 MET CE :methyl -129:sc= -0.597 (180deg=-4.86!) USER MOD Single : A 87 THR OG1 : rot 146:sc= 0.402 USER MOD Single : A 91 LYS NZ :NH3+ 164:sc=-0.00227 (180deg=-0.195) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.0517 K(o=-0.052,f=-0.64) USER MOD Single : A 100 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -4.01! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 60:sc= -0.145! USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0422) USER MOD Single : A 121 ASN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -145:sc= -1.02 (180deg=-2.83!) USER MOD Single : A 126 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.382) USER MOD Single : A 129 MET CE :methyl 170:sc= -0.424 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.923 -0.297 8.853 1.00 0.00 N ATOM 2 CA ALA A 2 -13.814 0.653 9.141 1.00 0.00 C ATOM 3 C ALA A 2 -14.181 2.041 8.605 1.00 0.00 C ATOM 4 O ALA A 2 -15.115 2.194 7.843 1.00 0.00 O ATOM 5 CB ALA A 2 -12.530 0.154 8.468 1.00 0.00 C ATOM 0 HA ALA A 2 -13.653 0.717 10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.716 0.848 8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.275 -0.832 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.685 0.091 7.391 1.00 0.00 H new ATOM 11 N ASP A 3 -13.458 3.054 9.007 1.00 0.00 N ATOM 12 CA ASP A 3 -13.763 4.438 8.534 1.00 0.00 C ATOM 13 C ASP A 3 -14.045 4.427 7.029 1.00 0.00 C ATOM 14 O ASP A 3 -13.471 3.659 6.293 1.00 0.00 O ATOM 15 CB ASP A 3 -12.559 5.342 8.815 1.00 0.00 C ATOM 16 CG ASP A 3 -12.726 6.007 10.182 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.764 6.609 10.404 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.812 5.904 10.984 1.00 0.00 O ATOM 0 H ASP A 3 -12.666 2.982 9.645 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.641 4.812 9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.639 4.757 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.472 6.101 8.038 1.00 0.00 H new ATOM 23 N LYS A 4 -14.936 5.266 6.571 1.00 0.00 N ATOM 24 CA LYS A 4 -15.247 5.308 5.110 1.00 0.00 C ATOM 25 C LYS A 4 -14.339 6.319 4.402 1.00 0.00 C ATOM 26 O LYS A 4 -14.538 6.623 3.244 1.00 0.00 O ATOM 27 CB LYS A 4 -16.703 5.716 4.892 1.00 0.00 C ATOM 28 CG LYS A 4 -17.609 4.938 5.853 1.00 0.00 C ATOM 29 CD LYS A 4 -18.828 4.383 5.102 1.00 0.00 C ATOM 30 CE LYS A 4 -19.730 5.534 4.641 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.544 6.017 5.791 1.00 0.00 N ATOM 0 H LYS A 4 -15.463 5.925 7.145 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.078 4.313 4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.819 6.787 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.995 5.518 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.051 4.120 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.937 5.590 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.500 3.800 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.388 3.708 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.124 6.348 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.383 5.199 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.510 6.228 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.577 5.282 6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.114 6.879 6.183 1.00 0.00 H new ATOM 45 N GLU A 5 -13.365 6.868 5.081 1.00 0.00 N ATOM 46 CA GLU A 5 -12.482 7.879 4.424 1.00 0.00 C ATOM 47 C GLU A 5 -11.053 7.736 4.940 1.00 0.00 C ATOM 48 O GLU A 5 -10.431 8.697 5.349 1.00 0.00 O ATOM 49 CB GLU A 5 -12.986 9.291 4.742 1.00 0.00 C ATOM 50 CG GLU A 5 -14.370 9.509 4.121 1.00 0.00 C ATOM 51 CD GLU A 5 -15.449 9.001 5.081 1.00 0.00 C ATOM 52 OE1 GLU A 5 -15.104 8.282 6.004 1.00 0.00 O ATOM 53 OE2 GLU A 5 -16.603 9.339 4.875 1.00 0.00 O ATOM 0 H GLU A 5 -13.143 6.662 6.055 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.500 7.714 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.037 9.433 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.285 10.031 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.524 10.568 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.439 8.983 3.169 1.00 0.00 H new ATOM 60 N LEU A 6 -10.523 6.551 4.917 1.00 0.00 N ATOM 61 CA LEU A 6 -9.139 6.348 5.394 1.00 0.00 C ATOM 62 C LEU A 6 -8.175 6.768 4.276 1.00 0.00 C ATOM 63 O LEU A 6 -8.162 6.191 3.218 1.00 0.00 O ATOM 64 CB LEU A 6 -8.967 4.871 5.742 1.00 0.00 C ATOM 65 CG LEU A 6 -7.570 4.607 6.292 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.354 5.381 7.588 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.431 3.124 6.585 1.00 0.00 C ATOM 0 H LEU A 6 -10.995 5.710 4.585 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.928 6.947 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.715 4.576 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.135 4.261 4.854 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.833 4.927 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.352 5.182 7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.464 6.448 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.091 5.067 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.435 2.923 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.179 2.827 7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.579 2.556 5.666 1.00 0.00 H new ATOM 79 N LYS A 7 -7.402 7.799 4.491 1.00 0.00 N ATOM 80 CA LYS A 7 -6.472 8.293 3.421 1.00 0.00 C ATOM 81 C LYS A 7 -5.565 7.176 2.885 1.00 0.00 C ATOM 82 O LYS A 7 -4.791 6.584 3.616 1.00 0.00 O ATOM 83 CB LYS A 7 -5.593 9.407 3.992 1.00 0.00 C ATOM 84 CG LYS A 7 -6.004 10.749 3.384 1.00 0.00 C ATOM 85 CD LYS A 7 -5.101 11.856 3.935 1.00 0.00 C ATOM 86 CE LYS A 7 -5.956 12.918 4.628 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.600 12.327 5.835 1.00 0.00 N ATOM 0 H LYS A 7 -7.371 8.326 5.364 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.083 8.660 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.693 9.442 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.544 9.204 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.925 10.708 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.046 10.964 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.383 11.436 4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.527 12.308 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.338 13.769 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.717 13.292 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.815 13.081 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.481 11.848 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.954 11.639 6.271 1.00 0.00 H new ATOM 101 N PHE A 8 -5.633 6.919 1.595 1.00 0.00 N ATOM 102 CA PHE A 8 -4.762 5.882 0.974 1.00 0.00 C ATOM 103 C PHE A 8 -3.781 6.561 0.025 1.00 0.00 C ATOM 104 O PHE A 8 -4.094 7.562 -0.588 1.00 0.00 O ATOM 105 CB PHE A 8 -5.598 4.915 0.120 1.00 0.00 C ATOM 106 CG PHE A 8 -6.414 3.982 0.978 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.680 4.372 1.409 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.910 2.726 1.337 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.445 3.514 2.205 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.679 1.864 2.132 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.945 2.260 2.566 1.00 0.00 C ATOM 0 H PHE A 8 -6.263 7.392 0.947 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.253 5.344 1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.261 5.484 -0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.938 4.334 -0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.071 5.339 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.930 2.421 1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.424 3.821 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.292 0.894 2.408 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.538 1.598 3.180 1.00 0.00 H new ATOM 121 N LEU A 9 -2.615 5.999 -0.133 1.00 0.00 N ATOM 122 CA LEU A 9 -1.628 6.575 -1.091 1.00 0.00 C ATOM 123 C LEU A 9 -1.288 5.497 -2.118 1.00 0.00 C ATOM 124 O LEU A 9 -0.646 4.513 -1.809 1.00 0.00 O ATOM 125 CB LEU A 9 -0.362 7.021 -0.354 1.00 0.00 C ATOM 126 CG LEU A 9 0.723 7.401 -1.370 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.178 8.449 -2.337 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.931 7.984 -0.643 1.00 0.00 C ATOM 0 H LEU A 9 -2.302 5.163 0.361 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.051 7.450 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.585 7.872 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.004 6.219 0.291 1.00 0.00 H new ATOM 0 HG LEU A 9 1.019 6.508 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.951 8.717 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.685 8.043 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.122 9.337 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.698 8.252 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.629 8.873 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.330 7.244 0.050 1.00 0.00 H new ATOM 140 N VAL A 10 -1.732 5.664 -3.333 1.00 0.00 N ATOM 141 CA VAL A 10 -1.455 4.637 -4.375 1.00 0.00 C ATOM 142 C VAL A 10 -0.186 5.006 -5.156 1.00 0.00 C ATOM 143 O VAL A 10 -0.210 5.830 -6.050 1.00 0.00 O ATOM 144 CB VAL A 10 -2.657 4.568 -5.317 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.932 3.115 -5.697 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.887 5.139 -4.605 1.00 0.00 C ATOM 0 H VAL A 10 -2.275 6.468 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.295 3.665 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.444 5.145 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.789 3.071 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.058 2.698 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.145 2.538 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.748 5.093 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.091 4.555 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.698 6.176 -4.328 1.00 0.00 H new ATOM 156 N VAL A 11 0.926 4.400 -4.825 1.00 0.00 N ATOM 157 CA VAL A 11 2.188 4.713 -5.542 1.00 0.00 C ATOM 158 C VAL A 11 2.368 3.750 -6.716 1.00 0.00 C ATOM 159 O VAL A 11 3.426 3.669 -7.308 1.00 0.00 O ATOM 160 CB VAL A 11 3.378 4.581 -4.586 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.675 4.924 -5.326 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.200 5.546 -3.414 1.00 0.00 C ATOM 0 H VAL A 11 1.009 3.701 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 11 2.139 5.736 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 11 3.429 3.557 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.519 4.829 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.807 4.240 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.622 5.947 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.046 5.452 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.147 6.568 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.279 5.307 -2.882 1.00 0.00 H new ATOM 172 N ASP A 12 1.343 3.019 -7.061 1.00 0.00 N ATOM 173 CA ASP A 12 1.461 2.065 -8.199 1.00 0.00 C ATOM 174 C ASP A 12 1.761 2.840 -9.482 1.00 0.00 C ATOM 175 O ASP A 12 1.461 4.013 -9.594 1.00 0.00 O ATOM 176 CB ASP A 12 0.148 1.297 -8.362 1.00 0.00 C ATOM 177 CG ASP A 12 0.386 -0.188 -8.081 1.00 0.00 C ATOM 178 OD1 ASP A 12 1.108 -0.807 -8.846 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.157 -0.681 -7.107 1.00 0.00 O ATOM 0 H ASP A 12 0.431 3.041 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 12 2.269 1.361 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.603 1.691 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.240 1.429 -9.372 1.00 0.00 H new ATOM 184 N ASP A 13 2.351 2.196 -10.452 1.00 0.00 N ATOM 185 CA ASP A 13 2.671 2.896 -11.727 1.00 0.00 C ATOM 186 C ASP A 13 1.549 2.657 -12.739 1.00 0.00 C ATOM 187 O ASP A 13 0.386 2.606 -12.389 1.00 0.00 O ATOM 188 CB ASP A 13 3.987 2.352 -12.289 1.00 0.00 C ATOM 189 CG ASP A 13 3.804 0.888 -12.689 1.00 0.00 C ATOM 190 OD1 ASP A 13 3.327 0.124 -11.866 1.00 0.00 O ATOM 191 OD2 ASP A 13 4.144 0.554 -13.812 1.00 0.00 O ATOM 0 H ASP A 13 2.625 1.214 -10.416 1.00 0.00 H new ATOM 0 HA ASP A 13 2.768 3.965 -11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.297 2.940 -13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.777 2.440 -11.544 1.00 0.00 H new ATOM 196 N PHE A 14 1.889 2.506 -13.990 1.00 0.00 N ATOM 197 CA PHE A 14 0.844 2.268 -15.026 1.00 0.00 C ATOM 198 C PHE A 14 -0.113 3.461 -15.074 1.00 0.00 C ATOM 199 O PHE A 14 -0.395 4.084 -14.070 1.00 0.00 O ATOM 200 CB PHE A 14 0.058 1.001 -14.680 1.00 0.00 C ATOM 201 CG PHE A 14 0.092 0.053 -15.856 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.443 0.449 -17.088 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.659 -1.221 -15.717 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.412 -0.426 -18.179 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.690 -2.096 -16.810 1.00 0.00 C ATOM 206 CZ PHE A 14 0.155 -1.699 -18.040 1.00 0.00 C ATOM 0 H PHE A 14 2.847 2.537 -14.340 1.00 0.00 H new ATOM 0 HA PHE A 14 1.322 2.146 -15.998 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.488 0.522 -13.800 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.973 1.255 -14.433 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.880 1.431 -17.196 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.072 -1.528 -14.767 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.825 -0.120 -19.129 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.127 -3.078 -16.703 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.179 -2.374 -18.883 1.00 0.00 H new ATOM 216 N SER A 15 -0.615 3.784 -16.233 1.00 0.00 N ATOM 217 CA SER A 15 -1.555 4.937 -16.343 1.00 0.00 C ATOM 218 C SER A 15 -2.993 4.435 -16.206 1.00 0.00 C ATOM 219 O SER A 15 -3.934 5.118 -16.559 1.00 0.00 O ATOM 220 CB SER A 15 -1.377 5.610 -17.704 1.00 0.00 C ATOM 221 OG SER A 15 -1.779 6.971 -17.611 1.00 0.00 O ATOM 0 H SER A 15 -0.416 3.301 -17.109 1.00 0.00 H new ATOM 0 HA SER A 15 -1.344 5.656 -15.552 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.336 5.547 -18.020 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.971 5.094 -18.458 1.00 0.00 H new ATOM 0 HG SER A 15 -2.671 7.022 -17.209 1.00 0.00 H new ATOM 227 N THR A 16 -3.170 3.246 -15.695 1.00 0.00 N ATOM 228 CA THR A 16 -4.548 2.696 -15.534 1.00 0.00 C ATOM 229 C THR A 16 -4.623 1.880 -14.242 1.00 0.00 C ATOM 230 O THR A 16 -5.691 1.528 -13.781 1.00 0.00 O ATOM 231 CB THR A 16 -4.883 1.794 -16.725 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.467 0.465 -16.440 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.162 2.298 -17.975 1.00 0.00 C ATOM 0 H THR A 16 -2.419 2.631 -15.382 1.00 0.00 H new ATOM 0 HA THR A 16 -5.263 3.518 -15.489 1.00 0.00 H new ATOM 0 HB THR A 16 -5.959 1.812 -16.901 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.682 -0.115 -17.200 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.404 1.653 -18.820 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.482 3.317 -18.194 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.086 2.284 -17.804 1.00 0.00 H new ATOM 241 N MET A 17 -3.499 1.574 -13.654 1.00 0.00 N ATOM 242 CA MET A 17 -3.514 0.778 -12.394 1.00 0.00 C ATOM 243 C MET A 17 -4.042 1.641 -11.248 1.00 0.00 C ATOM 244 O MET A 17 -5.017 1.303 -10.607 1.00 0.00 O ATOM 245 CB MET A 17 -2.095 0.311 -12.065 1.00 0.00 C ATOM 246 CG MET A 17 -2.119 -0.512 -10.776 1.00 0.00 C ATOM 247 SD MET A 17 -0.671 -1.596 -10.724 1.00 0.00 S ATOM 248 CE MET A 17 -1.548 -3.155 -10.994 1.00 0.00 C ATOM 0 H MET A 17 -2.573 1.840 -13.990 1.00 0.00 H new ATOM 0 HA MET A 17 -4.161 -0.089 -12.524 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.698 -0.288 -12.885 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.435 1.171 -11.949 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.122 0.150 -9.910 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.032 -1.105 -10.728 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.833 -3.933 -11.264 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.069 -3.442 -10.081 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.271 -3.031 -11.800 1.00 0.00 H new ATOM 258 N ARG A 18 -3.409 2.753 -10.984 1.00 0.00 N ATOM 259 CA ARG A 18 -3.881 3.633 -9.877 1.00 0.00 C ATOM 260 C ARG A 18 -5.395 3.814 -9.998 1.00 0.00 C ATOM 261 O ARG A 18 -6.089 4.009 -9.019 1.00 0.00 O ATOM 262 CB ARG A 18 -3.196 4.999 -9.967 1.00 0.00 C ATOM 263 CG ARG A 18 -1.699 4.814 -10.230 1.00 0.00 C ATOM 264 CD ARG A 18 -1.373 5.254 -11.657 1.00 0.00 C ATOM 265 NE ARG A 18 0.089 5.110 -11.898 1.00 0.00 N ATOM 266 CZ ARG A 18 0.717 5.979 -12.642 1.00 0.00 C ATOM 267 NH1 ARG A 18 0.078 6.602 -13.595 1.00 0.00 N ATOM 268 NH2 ARG A 18 1.980 6.225 -12.434 1.00 0.00 N ATOM 0 H ARG A 18 -2.587 3.089 -11.486 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.635 3.175 -8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.645 5.589 -10.766 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.346 5.553 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.119 5.399 -9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.420 3.770 -10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.932 4.650 -12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.677 6.290 -11.808 1.00 0.00 H new ATOM 0 HE ARG A 18 0.600 4.332 -11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.910 6.409 -13.757 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.567 7.282 -14.177 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.478 5.738 -11.689 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.470 6.904 -13.016 1.00 0.00 H new ATOM 282 N ARG A 19 -5.912 3.742 -11.194 1.00 0.00 N ATOM 283 CA ARG A 19 -7.380 3.899 -11.384 1.00 0.00 C ATOM 284 C ARG A 19 -8.090 2.645 -10.872 1.00 0.00 C ATOM 285 O ARG A 19 -9.017 2.714 -10.090 1.00 0.00 O ATOM 286 CB ARG A 19 -7.683 4.080 -12.872 1.00 0.00 C ATOM 287 CG ARG A 19 -7.693 5.569 -13.218 1.00 0.00 C ATOM 288 CD ARG A 19 -7.811 5.736 -14.733 1.00 0.00 C ATOM 289 NE ARG A 19 -8.224 4.440 -15.342 1.00 0.00 N ATOM 290 CZ ARG A 19 -8.778 4.420 -16.522 1.00 0.00 C ATOM 291 NH1 ARG A 19 -8.046 4.581 -17.589 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.066 4.238 -16.635 1.00 0.00 N ATOM 0 H ARG A 19 -5.379 3.581 -12.049 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.730 4.771 -10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.934 3.563 -13.471 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.648 3.634 -13.113 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.527 6.064 -12.720 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.780 6.044 -12.858 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.541 6.511 -14.969 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.857 6.059 -15.150 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.073 3.568 -14.835 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.040 4.723 -17.501 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.480 4.565 -18.512 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.638 4.112 -15.800 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.500 4.222 -17.558 1.00 0.00 H new ATOM 306 N ILE A 20 -7.656 1.496 -11.312 1.00 0.00 N ATOM 307 CA ILE A 20 -8.292 0.225 -10.865 1.00 0.00 C ATOM 308 C ILE A 20 -8.444 0.229 -9.342 1.00 0.00 C ATOM 309 O ILE A 20 -9.513 -0.002 -8.815 1.00 0.00 O ATOM 310 CB ILE A 20 -7.406 -0.955 -11.294 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.868 -1.461 -12.663 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.498 -2.099 -10.274 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.755 -2.296 -13.302 1.00 0.00 C ATOM 0 H ILE A 20 -6.882 1.383 -11.967 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.278 0.129 -11.319 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.372 -0.616 -11.348 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.771 -2.062 -12.555 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.121 -0.619 -13.307 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.864 -2.925 -10.596 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.165 -1.744 -9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.531 -2.441 -10.203 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.084 -2.656 -14.277 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.863 -1.681 -13.425 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.524 -3.146 -12.660 1.00 0.00 H new ATOM 325 N VAL A 21 -7.376 0.465 -8.633 1.00 0.00 N ATOM 326 CA VAL A 21 -7.456 0.454 -7.146 1.00 0.00 C ATOM 327 C VAL A 21 -8.365 1.586 -6.653 1.00 0.00 C ATOM 328 O VAL A 21 -9.192 1.391 -5.786 1.00 0.00 O ATOM 329 CB VAL A 21 -6.056 0.614 -6.550 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.701 -0.645 -5.760 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.038 0.806 -7.675 1.00 0.00 C ATOM 0 H VAL A 21 -6.453 0.665 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.877 -0.498 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.038 1.483 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.704 -0.537 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.426 -0.788 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.719 -1.509 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.041 0.920 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.054 -0.063 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.292 1.698 -8.247 1.00 0.00 H new ATOM 341 N ARG A 22 -8.222 2.765 -7.194 1.00 0.00 N ATOM 342 CA ARG A 22 -9.084 3.902 -6.750 1.00 0.00 C ATOM 343 C ARG A 22 -10.543 3.446 -6.691 1.00 0.00 C ATOM 344 O ARG A 22 -11.198 3.547 -5.674 1.00 0.00 O ATOM 345 CB ARG A 22 -8.959 5.052 -7.745 1.00 0.00 C ATOM 346 CG ARG A 22 -8.098 6.162 -7.141 1.00 0.00 C ATOM 347 CD ARG A 22 -7.866 7.254 -8.188 1.00 0.00 C ATOM 348 NE ARG A 22 -9.159 7.594 -8.845 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.189 8.468 -9.813 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.368 8.355 -10.820 1.00 0.00 N ATOM 351 NH2 ARG A 22 -10.041 9.455 -9.773 1.00 0.00 N ATOM 0 H ARG A 22 -7.547 2.992 -7.924 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.764 4.233 -5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.512 4.696 -8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.947 5.439 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.590 6.583 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.144 5.755 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.441 8.140 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.146 6.913 -8.932 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.021 7.143 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.702 7.583 -10.851 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.392 9.039 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.683 9.543 -8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.065 10.139 -10.529 1.00 0.00 H new ATOM 365 N ASN A 23 -11.049 2.932 -7.778 1.00 0.00 N ATOM 366 CA ASN A 23 -12.447 2.453 -7.809 1.00 0.00 C ATOM 367 C ASN A 23 -12.606 1.360 -6.765 1.00 0.00 C ATOM 368 O ASN A 23 -13.416 1.441 -5.864 1.00 0.00 O ATOM 369 CB ASN A 23 -12.684 1.859 -9.183 1.00 0.00 C ATOM 370 CG ASN A 23 -14.055 2.282 -9.713 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.022 1.557 -9.576 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.183 3.432 -10.316 1.00 0.00 N ATOM 0 H ASN A 23 -10.540 2.825 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.150 3.261 -7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.904 2.188 -9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.626 0.772 -9.132 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.094 3.723 -10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.372 4.040 -10.431 1.00 0.00 H new ATOM 379 N LEU A 24 -11.815 0.340 -6.908 1.00 0.00 N ATOM 380 CA LEU A 24 -11.845 -0.811 -5.960 1.00 0.00 C ATOM 381 C LEU A 24 -12.041 -0.296 -4.531 1.00 0.00 C ATOM 382 O LEU A 24 -12.808 -0.838 -3.761 1.00 0.00 O ATOM 383 CB LEU A 24 -10.496 -1.522 -6.068 1.00 0.00 C ATOM 384 CG LEU A 24 -10.526 -2.910 -5.396 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.939 -3.945 -6.358 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.684 -2.916 -4.110 1.00 0.00 C ATOM 0 H LEU A 24 -11.131 0.250 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.663 -1.490 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.226 -1.632 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.724 -0.909 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.560 -3.149 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.957 -4.929 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.531 -3.968 -7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.910 -3.676 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.721 -3.906 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.651 -2.666 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.082 -2.180 -3.411 1.00 0.00 H new ATOM 398 N LEU A 25 -11.356 0.757 -4.180 1.00 0.00 N ATOM 399 CA LEU A 25 -11.497 1.329 -2.810 1.00 0.00 C ATOM 400 C LEU A 25 -12.866 1.993 -2.690 1.00 0.00 C ATOM 401 O LEU A 25 -13.547 1.860 -1.693 1.00 0.00 O ATOM 402 CB LEU A 25 -10.388 2.363 -2.591 1.00 0.00 C ATOM 403 CG LEU A 25 -9.160 1.683 -1.978 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.965 2.635 -2.044 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.433 1.317 -0.514 1.00 0.00 C ATOM 0 H LEU A 25 -10.700 1.249 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.412 0.545 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.121 2.830 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.742 3.156 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.942 0.774 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.091 2.152 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.759 2.889 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.193 3.544 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.553 0.834 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.659 2.221 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.282 0.635 -0.462 1.00 0.00 H new ATOM 417 N LYS A 26 -13.280 2.701 -3.703 1.00 0.00 N ATOM 418 CA LYS A 26 -14.605 3.361 -3.651 1.00 0.00 C ATOM 419 C LYS A 26 -15.695 2.294 -3.546 1.00 0.00 C ATOM 420 O LYS A 26 -16.738 2.512 -2.964 1.00 0.00 O ATOM 421 CB LYS A 26 -14.817 4.187 -4.922 1.00 0.00 C ATOM 422 CG LYS A 26 -16.289 4.588 -5.031 1.00 0.00 C ATOM 423 CD LYS A 26 -16.410 5.875 -5.849 1.00 0.00 C ATOM 424 CE LYS A 26 -17.887 6.193 -6.087 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.018 7.575 -6.628 1.00 0.00 N ATOM 0 H LYS A 26 -12.754 2.849 -4.564 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.652 4.019 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.188 5.077 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.521 3.609 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.860 3.789 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.711 4.736 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.930 6.700 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.893 5.762 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.316 5.475 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.444 6.102 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.022 7.791 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.624 8.254 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.500 7.647 -7.527 1.00 0.00 H new ATOM 439 N GLU A 27 -15.462 1.137 -4.109 1.00 0.00 N ATOM 440 CA GLU A 27 -16.482 0.061 -4.046 1.00 0.00 C ATOM 441 C GLU A 27 -16.848 -0.218 -2.589 1.00 0.00 C ATOM 442 O GLU A 27 -17.996 -0.439 -2.259 1.00 0.00 O ATOM 443 CB GLU A 27 -15.928 -1.216 -4.683 1.00 0.00 C ATOM 444 CG GLU A 27 -16.965 -2.334 -4.565 1.00 0.00 C ATOM 445 CD GLU A 27 -16.762 -3.083 -3.245 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.825 -3.859 -3.165 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.548 -2.867 -2.337 1.00 0.00 O ATOM 0 H GLU A 27 -14.607 0.895 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.371 0.381 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.687 -1.038 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.002 -1.510 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.971 -1.917 -4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.870 -3.023 -5.404 1.00 0.00 H new ATOM 454 N LEU A 28 -15.882 -0.214 -1.713 1.00 0.00 N ATOM 455 CA LEU A 28 -16.187 -0.486 -0.279 1.00 0.00 C ATOM 456 C LEU A 28 -16.809 0.756 0.359 1.00 0.00 C ATOM 457 O LEU A 28 -17.908 0.719 0.875 1.00 0.00 O ATOM 458 CB LEU A 28 -14.897 -0.848 0.460 1.00 0.00 C ATOM 459 CG LEU A 28 -15.224 -1.790 1.619 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.948 -2.104 2.401 1.00 0.00 C ATOM 461 CD2 LEU A 28 -16.239 -1.120 2.548 1.00 0.00 C ATOM 0 H LEU A 28 -14.900 -0.035 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.889 -1.317 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.195 -1.325 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.414 0.054 0.835 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.644 -2.716 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.183 -2.776 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.224 -2.581 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.526 -1.179 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.473 -1.790 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.818 -0.194 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -17.150 -0.898 1.992 1.00 0.00 H new ATOM 473 N GLY A 29 -16.108 1.850 0.333 1.00 0.00 N ATOM 474 CA GLY A 29 -16.636 3.094 0.939 1.00 0.00 C ATOM 475 C GLY A 29 -15.473 4.041 1.227 1.00 0.00 C ATOM 476 O GLY A 29 -15.404 4.648 2.277 1.00 0.00 O ATOM 0 H GLY A 29 -15.182 1.934 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.349 3.568 0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.172 2.866 1.860 1.00 0.00 H new ATOM 480 N PHE A 30 -14.555 4.158 0.300 1.00 0.00 N ATOM 481 CA PHE A 30 -13.379 5.054 0.504 1.00 0.00 C ATOM 482 C PHE A 30 -13.256 6.020 -0.678 1.00 0.00 C ATOM 483 O PHE A 30 -13.203 5.608 -1.820 1.00 0.00 O ATOM 484 CB PHE A 30 -12.111 4.203 0.590 1.00 0.00 C ATOM 485 CG PHE A 30 -12.041 3.530 1.931 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.840 4.299 3.074 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.167 2.138 2.029 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.760 3.683 4.324 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.089 1.518 3.281 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.885 2.291 4.429 1.00 0.00 C ATOM 0 H PHE A 30 -14.571 3.668 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.510 5.622 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.109 3.455 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.231 4.829 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.746 5.372 2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.324 1.545 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.602 4.279 5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.186 0.445 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.824 1.815 5.396 1.00 0.00 H new ATOM 500 N ASN A 31 -13.216 7.300 -0.409 1.00 0.00 N ATOM 501 CA ASN A 31 -13.104 8.298 -1.504 1.00 0.00 C ATOM 502 C ASN A 31 -12.104 9.390 -1.102 1.00 0.00 C ATOM 503 O ASN A 31 -12.461 10.537 -0.916 1.00 0.00 O ATOM 504 CB ASN A 31 -14.481 8.914 -1.735 1.00 0.00 C ATOM 505 CG ASN A 31 -15.265 8.919 -0.421 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.815 7.813 0.001 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -15.378 9.939 0.228 1.00 0.00 N flip ATOM 0 H ASN A 31 -13.257 7.695 0.531 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.753 7.820 -2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.377 9.931 -2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.023 8.347 -2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.948 10.803 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.903 9.931 1.103 1.00 0.00 H new ATOM 514 N ASN A 32 -10.849 9.046 -0.966 1.00 0.00 N ATOM 515 CA ASN A 32 -9.833 10.068 -0.576 1.00 0.00 C ATOM 516 C ASN A 32 -8.427 9.461 -0.663 1.00 0.00 C ATOM 517 O ASN A 32 -7.945 8.850 0.272 1.00 0.00 O ATOM 518 CB ASN A 32 -10.102 10.531 0.861 1.00 0.00 C ATOM 519 CG ASN A 32 -9.525 11.933 1.062 1.00 0.00 C ATOM 520 OD1 ASN A 32 -10.255 12.873 1.306 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.237 12.115 0.971 1.00 0.00 N ATOM 0 H ASN A 32 -10.485 8.104 -1.108 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.899 10.919 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.174 10.536 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.651 9.836 1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.843 13.046 1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.624 11.326 0.766 1.00 0.00 H new ATOM 528 N VAL A 33 -7.763 9.621 -1.779 1.00 0.00 N ATOM 529 CA VAL A 33 -6.390 9.051 -1.919 1.00 0.00 C ATOM 530 C VAL A 33 -5.530 9.974 -2.784 1.00 0.00 C ATOM 531 O VAL A 33 -5.990 10.982 -3.283 1.00 0.00 O ATOM 532 CB VAL A 33 -6.466 7.664 -2.581 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.794 6.996 -2.229 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.359 7.797 -4.107 1.00 0.00 C ATOM 0 H VAL A 33 -8.111 10.120 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.944 8.959 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.639 7.057 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.843 6.014 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.869 6.884 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.618 7.613 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.414 6.809 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.178 8.414 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.408 8.263 -4.366 1.00 0.00 H new ATOM 544 N GLU A 34 -4.291 9.615 -2.987 1.00 0.00 N ATOM 545 CA GLU A 34 -3.397 10.443 -3.846 1.00 0.00 C ATOM 546 C GLU A 34 -2.570 9.500 -4.713 1.00 0.00 C ATOM 547 O GLU A 34 -2.893 8.336 -4.848 1.00 0.00 O ATOM 548 CB GLU A 34 -2.477 11.311 -2.979 1.00 0.00 C ATOM 549 CG GLU A 34 -3.254 12.502 -2.393 1.00 0.00 C ATOM 550 CD GLU A 34 -2.298 13.678 -2.181 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.622 14.044 -3.128 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.259 14.193 -1.076 1.00 0.00 O ATOM 0 H GLU A 34 -3.858 8.780 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.991 11.108 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.056 10.711 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.640 11.674 -3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.060 12.791 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.716 12.219 -1.447 1.00 0.00 H new ATOM 559 N GLU A 35 -1.524 9.982 -5.318 1.00 0.00 N ATOM 560 CA GLU A 35 -0.716 9.088 -6.194 1.00 0.00 C ATOM 561 C GLU A 35 0.761 9.479 -6.168 1.00 0.00 C ATOM 562 O GLU A 35 1.117 10.629 -6.001 1.00 0.00 O ATOM 563 CB GLU A 35 -1.236 9.189 -7.629 1.00 0.00 C ATOM 564 CG GLU A 35 -1.142 7.822 -8.308 1.00 0.00 C ATOM 565 CD GLU A 35 -1.127 8.009 -9.826 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.190 8.213 -10.388 1.00 0.00 O ATOM 567 OE2 GLU A 35 -0.052 7.945 -10.401 1.00 0.00 O ATOM 0 H GLU A 35 -1.194 10.945 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.809 8.067 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.270 9.535 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.654 9.923 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.238 7.305 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.988 7.199 -8.015 1.00 0.00 H new ATOM 574 N ALA A 36 1.618 8.512 -6.350 1.00 0.00 N ATOM 575 CA ALA A 36 3.081 8.783 -6.360 1.00 0.00 C ATOM 576 C ALA A 36 3.728 7.892 -7.422 1.00 0.00 C ATOM 577 O ALA A 36 3.043 7.286 -8.223 1.00 0.00 O ATOM 578 CB ALA A 36 3.665 8.471 -4.982 1.00 0.00 C ATOM 0 H ALA A 36 1.362 7.535 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 36 3.274 9.831 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.737 8.669 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.184 9.099 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.491 7.422 -4.742 1.00 0.00 H new ATOM 584 N GLU A 37 5.030 7.807 -7.448 1.00 0.00 N ATOM 585 CA GLU A 37 5.690 6.951 -8.481 1.00 0.00 C ATOM 586 C GLU A 37 6.972 6.322 -7.923 1.00 0.00 C ATOM 587 O GLU A 37 7.681 5.634 -8.627 1.00 0.00 O ATOM 588 CB GLU A 37 6.031 7.802 -9.707 1.00 0.00 C ATOM 589 CG GLU A 37 7.197 8.736 -9.381 1.00 0.00 C ATOM 590 CD GLU A 37 6.982 10.083 -10.073 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.575 10.077 -11.224 1.00 0.00 O ATOM 592 OE2 GLU A 37 7.227 11.097 -9.442 1.00 0.00 O ATOM 0 H GLU A 37 5.662 8.287 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 37 5.004 6.153 -8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.293 7.158 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.161 8.384 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.273 8.877 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.136 8.292 -9.711 1.00 0.00 H new ATOM 599 N ASP A 38 7.270 6.537 -6.670 1.00 0.00 N ATOM 600 CA ASP A 38 8.504 5.934 -6.082 1.00 0.00 C ATOM 601 C ASP A 38 8.669 6.428 -4.647 1.00 0.00 C ATOM 602 O ASP A 38 7.804 7.085 -4.108 1.00 0.00 O ATOM 603 CB ASP A 38 9.735 6.335 -6.903 1.00 0.00 C ATOM 604 CG ASP A 38 9.579 7.775 -7.393 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.961 8.555 -6.690 1.00 0.00 O ATOM 606 OD2 ASP A 38 10.086 8.073 -8.463 1.00 0.00 O ATOM 0 H ASP A 38 6.715 7.103 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 38 8.411 4.848 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.635 6.243 -6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.853 5.662 -7.752 1.00 0.00 H new ATOM 611 N GLY A 39 9.769 6.119 -4.021 1.00 0.00 N ATOM 612 CA GLY A 39 9.974 6.574 -2.617 1.00 0.00 C ATOM 613 C GLY A 39 10.179 8.087 -2.586 1.00 0.00 C ATOM 614 O GLY A 39 9.648 8.776 -1.738 1.00 0.00 O ATOM 0 H GLY A 39 10.533 5.573 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.112 6.302 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.840 6.072 -2.185 1.00 0.00 H new ATOM 618 N VAL A 40 10.942 8.615 -3.502 1.00 0.00 N ATOM 619 CA VAL A 40 11.167 10.086 -3.512 1.00 0.00 C ATOM 620 C VAL A 40 9.818 10.796 -3.606 1.00 0.00 C ATOM 621 O VAL A 40 9.621 11.860 -3.050 1.00 0.00 O ATOM 622 CB VAL A 40 12.033 10.466 -4.714 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.799 11.935 -5.069 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.508 10.253 -4.366 1.00 0.00 C ATOM 0 H VAL A 40 11.417 8.095 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 40 11.677 10.386 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 40 11.766 9.841 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.416 12.205 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.748 12.087 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.065 12.562 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.126 10.523 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.775 10.878 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.675 9.206 -4.114 1.00 0.00 H new ATOM 634 N ASP A 41 8.885 10.211 -4.304 1.00 0.00 N ATOM 635 CA ASP A 41 7.547 10.846 -4.434 1.00 0.00 C ATOM 636 C ASP A 41 6.697 10.483 -3.218 1.00 0.00 C ATOM 637 O ASP A 41 6.217 11.343 -2.508 1.00 0.00 O ATOM 638 CB ASP A 41 6.870 10.336 -5.704 1.00 0.00 C ATOM 639 CG ASP A 41 5.612 11.160 -5.982 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.038 11.667 -5.033 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.245 11.272 -7.140 1.00 0.00 O ATOM 0 H ASP A 41 8.993 9.320 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 41 7.655 11.929 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.557 10.407 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.610 9.283 -5.592 1.00 0.00 H new ATOM 646 N ALA A 42 6.510 9.214 -2.972 1.00 0.00 N ATOM 647 CA ALA A 42 5.693 8.802 -1.797 1.00 0.00 C ATOM 648 C ALA A 42 6.137 9.596 -0.570 1.00 0.00 C ATOM 649 O ALA A 42 5.333 9.987 0.247 1.00 0.00 O ATOM 650 CB ALA A 42 5.892 7.313 -1.521 1.00 0.00 C ATOM 0 H ALA A 42 6.886 8.449 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 42 4.641 8.995 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.291 7.019 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.583 6.737 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.944 7.119 -1.312 1.00 0.00 H new ATOM 656 N LEU A 43 7.413 9.833 -0.435 1.00 0.00 N ATOM 657 CA LEU A 43 7.905 10.601 0.743 1.00 0.00 C ATOM 658 C LEU A 43 7.458 12.058 0.627 1.00 0.00 C ATOM 659 O LEU A 43 6.770 12.576 1.483 1.00 0.00 O ATOM 660 CB LEU A 43 9.433 10.540 0.791 1.00 0.00 C ATOM 661 CG LEU A 43 9.935 11.293 2.025 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.861 10.385 2.837 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.705 12.540 1.584 1.00 0.00 C ATOM 0 H LEU A 43 8.135 9.529 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 43 7.495 10.167 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.765 9.502 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.854 10.980 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 43 9.085 11.588 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.218 10.922 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.314 9.496 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.711 10.089 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.063 13.077 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.555 12.244 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.047 13.189 1.006 1.00 0.00 H new ATOM 675 N ASN A 44 7.845 12.725 -0.427 1.00 0.00 N ATOM 676 CA ASN A 44 7.446 14.151 -0.598 1.00 0.00 C ATOM 677 C ASN A 44 5.919 14.270 -0.594 1.00 0.00 C ATOM 678 O ASN A 44 5.371 15.325 -0.344 1.00 0.00 O ATOM 679 CB ASN A 44 7.991 14.673 -1.928 1.00 0.00 C ATOM 680 CG ASN A 44 9.188 15.590 -1.666 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.055 16.612 -1.021 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.360 15.267 -2.141 1.00 0.00 N ATOM 0 H ASN A 44 8.421 12.343 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 44 7.854 14.739 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.291 13.839 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.213 15.217 -2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.164 15.872 -1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.472 14.410 -2.682 1.00 0.00 H new ATOM 689 N LYS A 45 5.228 13.200 -0.881 1.00 0.00 N ATOM 690 CA LYS A 45 3.737 13.260 -0.905 1.00 0.00 C ATOM 691 C LYS A 45 3.163 12.929 0.474 1.00 0.00 C ATOM 692 O LYS A 45 2.242 13.570 0.934 1.00 0.00 O ATOM 693 CB LYS A 45 3.202 12.257 -1.931 1.00 0.00 C ATOM 694 CG LYS A 45 1.985 12.855 -2.643 1.00 0.00 C ATOM 695 CD LYS A 45 2.450 13.824 -3.734 1.00 0.00 C ATOM 696 CE LYS A 45 1.525 15.042 -3.764 1.00 0.00 C ATOM 697 NZ LYS A 45 1.597 15.754 -2.456 1.00 0.00 N ATOM 0 H LYS A 45 5.630 12.288 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 45 3.433 14.270 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.978 12.014 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.926 11.326 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.382 12.060 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.352 13.377 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.476 14.138 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.445 13.326 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.816 15.713 -4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.500 14.729 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.181 16.702 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.070 15.216 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.591 15.841 -2.162 1.00 0.00 H new ATOM 711 N LEU A 46 3.678 11.931 1.140 1.00 0.00 N ATOM 712 CA LEU A 46 3.118 11.588 2.479 1.00 0.00 C ATOM 713 C LEU A 46 3.309 12.772 3.424 1.00 0.00 C ATOM 714 O LEU A 46 2.643 12.879 4.434 1.00 0.00 O ATOM 715 CB LEU A 46 3.813 10.335 3.058 1.00 0.00 C ATOM 716 CG LEU A 46 2.891 9.090 3.014 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.474 8.041 2.076 1.00 0.00 C ATOM 718 CD2 LEU A 46 2.793 8.487 4.413 1.00 0.00 C ATOM 0 H LEU A 46 4.451 11.346 0.821 1.00 0.00 H new ATOM 0 HA LEU A 46 2.055 11.370 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.724 10.132 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.112 10.529 4.088 1.00 0.00 H new ATOM 0 HG LEU A 46 1.906 9.392 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.819 7.170 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.560 8.458 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.461 7.743 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.145 7.611 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.786 8.194 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.377 9.225 5.099 1.00 0.00 H new ATOM 730 N GLN A 47 4.191 13.676 3.102 1.00 0.00 N ATOM 731 CA GLN A 47 4.380 14.856 3.986 1.00 0.00 C ATOM 732 C GLN A 47 3.073 15.647 4.008 1.00 0.00 C ATOM 733 O GLN A 47 2.929 16.622 4.718 1.00 0.00 O ATOM 734 CB GLN A 47 5.505 15.743 3.442 1.00 0.00 C ATOM 735 CG GLN A 47 6.821 14.963 3.436 1.00 0.00 C ATOM 736 CD GLN A 47 7.932 15.830 4.032 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.447 16.713 3.376 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.326 15.612 5.256 1.00 0.00 N ATOM 0 H GLN A 47 4.784 13.649 2.272 1.00 0.00 H new ATOM 0 HA GLN A 47 4.647 14.531 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.263 16.075 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.605 16.638 4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.714 14.044 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.079 14.672 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.893 14.870 5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.067 16.183 5.663 1.00 0.00 H new ATOM 747 N ALA A 48 2.117 15.226 3.221 1.00 0.00 N ATOM 748 CA ALA A 48 0.816 15.937 3.171 1.00 0.00 C ATOM 749 C ALA A 48 0.238 16.062 4.581 1.00 0.00 C ATOM 750 O ALA A 48 0.255 17.125 5.169 1.00 0.00 O ATOM 751 CB ALA A 48 -0.158 15.159 2.285 1.00 0.00 C ATOM 0 H ALA A 48 2.188 14.414 2.608 1.00 0.00 H new ATOM 0 HA ALA A 48 0.968 16.934 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.114 15.682 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.251 15.079 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.306 14.161 2.696 1.00 0.00 H new ATOM 757 N GLY A 49 -0.284 14.994 5.133 1.00 0.00 N ATOM 758 CA GLY A 49 -0.863 15.092 6.506 1.00 0.00 C ATOM 759 C GLY A 49 -0.690 13.771 7.257 1.00 0.00 C ATOM 760 O GLY A 49 -1.263 13.570 8.309 1.00 0.00 O ATOM 0 H GLY A 49 -0.334 14.072 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.375 15.896 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.921 15.345 6.443 1.00 0.00 H new ATOM 764 N GLY A 50 0.085 12.865 6.732 1.00 0.00 N ATOM 765 CA GLY A 50 0.272 11.564 7.431 1.00 0.00 C ATOM 766 C GLY A 50 -0.816 10.604 6.969 1.00 0.00 C ATOM 767 O GLY A 50 -1.828 10.428 7.620 1.00 0.00 O ATOM 0 H GLY A 50 0.594 12.968 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.257 11.154 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.220 11.704 8.511 1.00 0.00 H new ATOM 771 N TYR A 51 -0.620 9.994 5.840 1.00 0.00 N ATOM 772 CA TYR A 51 -1.636 9.055 5.307 1.00 0.00 C ATOM 773 C TYR A 51 -1.954 7.981 6.337 1.00 0.00 C ATOM 774 O TYR A 51 -1.095 7.525 7.061 1.00 0.00 O ATOM 775 CB TYR A 51 -1.086 8.394 4.050 1.00 0.00 C ATOM 776 CG TYR A 51 -1.235 9.346 2.895 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.450 10.500 2.845 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.162 9.080 1.885 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.591 11.392 1.778 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.304 9.972 0.817 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.516 11.129 0.766 1.00 0.00 C ATOM 782 OH TYR A 51 -1.653 12.012 -0.282 1.00 0.00 O ATOM 0 H TYR A 51 0.210 10.107 5.257 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.548 9.606 5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.037 8.132 4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.622 7.467 3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.264 10.703 3.629 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.768 8.187 1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.016 12.285 1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.019 9.769 0.034 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.048 12.848 0.044 1.00 0.00 H new ATOM 792 N GLY A 52 -3.184 7.557 6.387 1.00 0.00 N ATOM 793 CA GLY A 52 -3.560 6.490 7.347 1.00 0.00 C ATOM 794 C GLY A 52 -3.364 5.144 6.661 1.00 0.00 C ATOM 795 O GLY A 52 -3.533 4.101 7.255 1.00 0.00 O ATOM 0 H GLY A 52 -3.945 7.905 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.945 6.552 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.597 6.609 7.661 1.00 0.00 H new ATOM 799 N PHE A 53 -3.018 5.162 5.401 1.00 0.00 N ATOM 800 CA PHE A 53 -2.822 3.884 4.668 1.00 0.00 C ATOM 801 C PHE A 53 -2.009 4.130 3.395 1.00 0.00 C ATOM 802 O PHE A 53 -2.133 5.159 2.756 1.00 0.00 O ATOM 803 CB PHE A 53 -4.187 3.340 4.286 1.00 0.00 C ATOM 804 CG PHE A 53 -4.274 1.863 4.567 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.681 1.416 5.826 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.995 0.942 3.556 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.805 0.050 6.076 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.123 -0.425 3.801 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.531 -0.874 5.064 1.00 0.00 C ATOM 0 H PHE A 53 -2.864 6.007 4.851 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.287 3.175 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.962 3.867 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.374 3.525 3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.900 2.129 6.607 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.680 1.288 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.113 -0.294 7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.908 -1.137 3.018 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.634 -1.932 5.255 1.00 0.00 H new ATOM 819 N VAL A 54 -1.186 3.190 3.016 1.00 0.00 N ATOM 820 CA VAL A 54 -0.375 3.370 1.778 1.00 0.00 C ATOM 821 C VAL A 54 -0.311 2.053 1.002 1.00 0.00 C ATOM 822 O VAL A 54 0.072 1.025 1.527 1.00 0.00 O ATOM 823 CB VAL A 54 1.039 3.812 2.153 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.819 4.165 0.885 1.00 0.00 C ATOM 825 CG2 VAL A 54 0.963 5.042 3.062 1.00 0.00 C ATOM 0 H VAL A 54 -1.040 2.308 3.508 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.841 4.132 1.152 1.00 0.00 H new ATOM 0 HB VAL A 54 1.545 3.001 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.827 4.480 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.873 3.291 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.313 4.976 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.971 5.359 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.456 5.852 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.408 4.792 3.966 1.00 0.00 H new ATOM 835 N ILE A 55 -0.681 2.089 -0.254 1.00 0.00 N ATOM 836 CA ILE A 55 -0.646 0.860 -1.097 1.00 0.00 C ATOM 837 C ILE A 55 0.500 0.991 -2.105 1.00 0.00 C ATOM 838 O ILE A 55 0.399 1.717 -3.077 1.00 0.00 O ATOM 839 CB ILE A 55 -1.968 0.723 -1.857 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.139 0.800 -0.873 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.001 -0.623 -2.582 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.459 0.813 -1.648 1.00 0.00 C ATOM 0 H ILE A 55 -1.009 2.927 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.498 -0.017 -0.467 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.052 1.532 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.113 -0.052 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.055 1.699 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.942 -0.722 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.170 -0.678 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.915 -1.430 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.292 0.868 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.484 1.679 -2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.542 -0.098 -2.240 1.00 0.00 H new ATOM 854 N SER A 56 1.591 0.303 -1.879 1.00 0.00 N ATOM 855 CA SER A 56 2.749 0.395 -2.818 1.00 0.00 C ATOM 856 C SER A 56 2.829 -0.870 -3.674 1.00 0.00 C ATOM 857 O SER A 56 2.043 -1.784 -3.523 1.00 0.00 O ATOM 858 CB SER A 56 4.040 0.543 -2.015 1.00 0.00 C ATOM 859 OG SER A 56 4.261 -0.642 -1.262 1.00 0.00 O ATOM 0 H SER A 56 1.729 -0.319 -1.083 1.00 0.00 H new ATOM 0 HA SER A 56 2.616 1.260 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.880 0.724 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.972 1.404 -1.349 1.00 0.00 H new ATOM 0 HG SER A 56 5.146 -1.005 -1.475 1.00 0.00 H new ATOM 865 N ASP A 57 3.777 -0.925 -4.575 1.00 0.00 N ATOM 866 CA ASP A 57 3.921 -2.125 -5.449 1.00 0.00 C ATOM 867 C ASP A 57 5.040 -3.021 -4.907 1.00 0.00 C ATOM 868 O ASP A 57 4.937 -3.563 -3.825 1.00 0.00 O ATOM 869 CB ASP A 57 4.267 -1.679 -6.871 1.00 0.00 C ATOM 870 CG ASP A 57 5.494 -0.765 -6.836 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.869 -0.352 -5.750 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.036 -0.493 -7.894 1.00 0.00 O ATOM 0 H ASP A 57 4.460 -0.186 -4.742 1.00 0.00 H new ATOM 0 HA ASP A 57 2.984 -2.682 -5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.466 -2.548 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.421 -1.153 -7.314 1.00 0.00 H new ATOM 877 N TRP A 58 6.106 -3.180 -5.650 1.00 0.00 N ATOM 878 CA TRP A 58 7.228 -4.044 -5.174 1.00 0.00 C ATOM 879 C TRP A 58 8.571 -3.405 -5.528 1.00 0.00 C ATOM 880 O TRP A 58 9.201 -2.778 -4.700 1.00 0.00 O ATOM 881 CB TRP A 58 7.125 -5.425 -5.828 1.00 0.00 C ATOM 882 CG TRP A 58 8.097 -6.361 -5.179 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.160 -6.928 -5.797 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.117 -6.846 -3.803 1.00 0.00 C ATOM 885 NE1 TRP A 58 9.829 -7.730 -4.889 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.225 -7.711 -3.646 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.289 -6.622 -2.689 1.00 0.00 C ATOM 888 CZ2 TRP A 58 9.503 -8.331 -2.425 1.00 0.00 C ATOM 889 CZ3 TRP A 58 7.565 -7.243 -1.460 1.00 0.00 C ATOM 890 CH2 TRP A 58 8.670 -8.096 -1.328 1.00 0.00 C ATOM 0 H TRP A 58 6.248 -2.750 -6.564 1.00 0.00 H new ATOM 0 HA TRP A 58 7.161 -4.149 -4.091 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.111 -5.811 -5.728 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.334 -5.350 -6.895 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.440 -6.779 -6.829 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.666 -8.269 -5.110 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.435 -5.968 -2.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 10.356 -8.987 -2.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.922 -7.062 -0.611 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.877 -8.571 -0.380 1.00 0.00 H new ATOM 901 N ASN A 59 9.026 -3.561 -6.741 1.00 0.00 N ATOM 902 CA ASN A 59 10.337 -2.959 -7.117 1.00 0.00 C ATOM 903 C ASN A 59 10.546 -3.067 -8.628 1.00 0.00 C ATOM 904 O ASN A 59 11.404 -3.792 -9.094 1.00 0.00 O ATOM 905 CB ASN A 59 11.460 -3.707 -6.398 1.00 0.00 C ATOM 906 CG ASN A 59 12.777 -2.952 -6.584 1.00 0.00 C ATOM 907 OD1 ASN A 59 13.454 -2.577 -5.533 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 13.195 -2.699 -7.697 1.00 0.00 N flip ATOM 0 H ASN A 59 8.551 -4.075 -7.483 1.00 0.00 H new ATOM 0 HA ASN A 59 10.346 -1.908 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.228 -3.800 -5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.549 -4.719 -6.794 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.667 -2.992 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.074 -2.194 -7.809 1.00 0.00 H new ATOM 915 N MET A 60 9.779 -2.347 -9.398 1.00 0.00 N ATOM 916 CA MET A 60 9.948 -2.407 -10.873 1.00 0.00 C ATOM 917 C MET A 60 10.979 -1.359 -11.335 1.00 0.00 C ATOM 918 O MET A 60 11.873 -1.694 -12.088 1.00 0.00 O ATOM 919 CB MET A 60 8.600 -2.174 -11.564 1.00 0.00 C ATOM 920 CG MET A 60 8.213 -3.424 -12.360 1.00 0.00 C ATOM 921 SD MET A 60 8.046 -4.829 -11.228 1.00 0.00 S ATOM 922 CE MET A 60 7.929 -6.130 -12.482 1.00 0.00 C ATOM 0 H MET A 60 9.044 -1.721 -9.069 1.00 0.00 H new ATOM 0 HA MET A 60 10.315 -3.396 -11.147 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.833 -1.950 -10.823 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.664 -1.312 -12.228 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.275 -3.256 -12.890 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.971 -3.638 -13.114 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.819 -7.098 -11.993 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.064 -5.945 -13.119 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.834 -6.132 -13.090 1.00 0.00 H new ATOM 932 N PRO A 61 10.853 -0.124 -10.883 1.00 0.00 N ATOM 933 CA PRO A 61 11.807 0.931 -11.277 1.00 0.00 C ATOM 934 C PRO A 61 13.194 0.615 -10.710 1.00 0.00 C ATOM 935 O PRO A 61 13.485 -0.508 -10.348 1.00 0.00 O ATOM 936 CB PRO A 61 11.253 2.223 -10.657 1.00 0.00 C ATOM 937 CG PRO A 61 9.956 1.859 -9.896 1.00 0.00 C ATOM 938 CD PRO A 61 9.780 0.334 -9.971 1.00 0.00 C ATOM 0 HA PRO A 61 11.912 1.014 -12.359 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.983 2.666 -9.979 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.048 2.962 -11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.018 2.186 -8.858 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.098 2.365 -10.339 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.875 -0.124 -8.987 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.795 0.067 -10.353 1.00 0.00 H new ATOM 946 N ASN A 62 14.051 1.595 -10.623 1.00 0.00 N ATOM 947 CA ASN A 62 15.413 1.344 -10.071 1.00 0.00 C ATOM 948 C ASN A 62 15.359 1.435 -8.544 1.00 0.00 C ATOM 949 O ASN A 62 15.225 2.503 -7.982 1.00 0.00 O ATOM 950 CB ASN A 62 16.384 2.396 -10.613 1.00 0.00 C ATOM 951 CG ASN A 62 15.674 3.747 -10.703 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.604 3.957 -9.987 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 16.097 4.621 -11.433 1.00 0.00 N flip ATOM 0 H ASN A 62 13.868 2.557 -10.909 1.00 0.00 H new ATOM 0 HA ASN A 62 15.754 0.352 -10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.254 2.473 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.748 2.098 -11.596 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.934 4.457 -11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.616 5.519 -11.486 1.00 0.00 H new ATOM 960 N MET A 63 15.456 0.323 -7.868 1.00 0.00 N ATOM 961 CA MET A 63 15.404 0.353 -6.380 1.00 0.00 C ATOM 962 C MET A 63 14.184 1.162 -5.938 1.00 0.00 C ATOM 963 O MET A 63 14.240 2.370 -5.818 1.00 0.00 O ATOM 964 CB MET A 63 16.674 1.011 -5.837 1.00 0.00 C ATOM 965 CG MET A 63 17.892 0.169 -6.217 1.00 0.00 C ATOM 966 SD MET A 63 18.629 -0.536 -4.723 1.00 0.00 S ATOM 967 CE MET A 63 19.581 0.922 -4.232 1.00 0.00 C ATOM 0 H MET A 63 15.569 -0.603 -8.281 1.00 0.00 H new ATOM 0 HA MET A 63 15.331 -0.664 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.775 2.018 -6.242 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.610 1.108 -4.753 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.598 -0.627 -6.901 1.00 0.00 H new ATOM 0 HG3 MET A 63 18.624 0.784 -6.741 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.127 0.708 -3.313 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.287 1.178 -5.022 1.00 0.00 H new ATOM 0 HE3 MET A 63 18.904 1.760 -4.065 1.00 0.00 H new ATOM 977 N ASP A 64 13.076 0.512 -5.701 1.00 0.00 N ATOM 978 CA ASP A 64 11.858 1.258 -5.276 1.00 0.00 C ATOM 979 C ASP A 64 10.958 0.357 -4.426 1.00 0.00 C ATOM 980 O ASP A 64 11.285 -0.776 -4.138 1.00 0.00 O ATOM 981 CB ASP A 64 11.089 1.720 -6.515 1.00 0.00 C ATOM 982 CG ASP A 64 10.113 2.831 -6.126 1.00 0.00 C ATOM 983 OD1 ASP A 64 10.572 3.931 -5.867 1.00 0.00 O ATOM 984 OD2 ASP A 64 8.923 2.562 -6.093 1.00 0.00 O ATOM 0 H ASP A 64 12.962 -0.498 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 64 12.158 2.122 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.784 2.081 -7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.547 0.882 -6.953 1.00 0.00 H new ATOM 989 N GLY A 65 9.824 0.866 -4.025 1.00 0.00 N ATOM 990 CA GLY A 65 8.881 0.067 -3.188 1.00 0.00 C ATOM 991 C GLY A 65 9.589 -0.467 -1.940 1.00 0.00 C ATOM 992 O GLY A 65 9.459 0.086 -0.867 1.00 0.00 O ATOM 0 H GLY A 65 9.507 1.811 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.033 0.686 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.483 -0.764 -3.771 1.00 0.00 H new ATOM 996 N LEU A 66 10.322 -1.542 -2.064 1.00 0.00 N ATOM 997 CA LEU A 66 11.023 -2.109 -0.874 1.00 0.00 C ATOM 998 C LEU A 66 11.693 -0.979 -0.083 1.00 0.00 C ATOM 999 O LEU A 66 11.288 -0.653 1.015 1.00 0.00 O ATOM 1000 CB LEU A 66 12.081 -3.121 -1.332 1.00 0.00 C ATOM 1001 CG LEU A 66 11.400 -4.331 -1.990 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.466 -5.273 -2.553 1.00 0.00 C ATOM 1003 CD2 LEU A 66 10.557 -5.093 -0.960 1.00 0.00 C ATOM 0 H LEU A 66 10.466 -2.051 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 66 10.298 -2.613 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.765 -2.650 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.677 -3.448 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 66 10.753 -3.975 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.983 -6.131 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.063 -4.744 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.112 -5.615 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.081 -5.948 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.199 -5.443 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.792 -4.431 -0.555 1.00 0.00 H new ATOM 1015 N GLU A 67 12.709 -0.370 -0.629 1.00 0.00 N ATOM 1016 CA GLU A 67 13.389 0.741 0.102 1.00 0.00 C ATOM 1017 C GLU A 67 12.383 1.864 0.369 1.00 0.00 C ATOM 1018 O GLU A 67 12.418 2.516 1.393 1.00 0.00 O ATOM 1019 CB GLU A 67 14.541 1.280 -0.748 1.00 0.00 C ATOM 1020 CG GLU A 67 15.390 2.236 0.092 1.00 0.00 C ATOM 1021 CD GLU A 67 16.427 2.917 -0.802 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.097 3.216 -1.938 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.535 3.126 -0.337 1.00 0.00 O ATOM 0 H GLU A 67 13.098 -0.591 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 67 13.780 0.369 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.155 0.456 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.150 1.798 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.754 2.985 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.888 1.689 0.893 1.00 0.00 H new ATOM 1030 N LEU A 68 11.486 2.086 -0.549 1.00 0.00 N ATOM 1031 CA LEU A 68 10.464 3.157 -0.373 1.00 0.00 C ATOM 1032 C LEU A 68 9.684 2.895 0.920 1.00 0.00 C ATOM 1033 O LEU A 68 9.288 3.808 1.614 1.00 0.00 O ATOM 1034 CB LEU A 68 9.553 3.139 -1.617 1.00 0.00 C ATOM 1035 CG LEU A 68 8.055 3.107 -1.271 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.669 4.335 -0.455 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.250 3.125 -2.576 1.00 0.00 C ATOM 0 H LEU A 68 11.416 1.566 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 68 10.918 4.144 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.760 4.020 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.797 2.268 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 68 7.845 2.208 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.606 4.296 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.245 4.353 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.880 5.236 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.185 3.103 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.482 4.032 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.510 2.253 -3.176 1.00 0.00 H new ATOM 1049 N LEU A 69 9.479 1.655 1.255 1.00 0.00 N ATOM 1050 CA LEU A 69 8.735 1.329 2.505 1.00 0.00 C ATOM 1051 C LEU A 69 9.716 1.285 3.676 1.00 0.00 C ATOM 1052 O LEU A 69 9.594 2.031 4.631 1.00 0.00 O ATOM 1053 CB LEU A 69 8.085 -0.040 2.337 1.00 0.00 C ATOM 1054 CG LEU A 69 6.748 -0.110 3.071 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.048 -1.399 2.663 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.978 -0.120 4.584 1.00 0.00 C ATOM 0 H LEU A 69 9.795 0.848 0.717 1.00 0.00 H new ATOM 0 HA LEU A 69 7.973 2.084 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.932 -0.246 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.753 -0.812 2.718 1.00 0.00 H new ATOM 0 HG LEU A 69 6.140 0.757 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.089 -1.470 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.884 -1.399 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.669 -2.252 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.018 -0.170 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.580 -0.987 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.500 0.790 4.879 1.00 0.00 H new ATOM 1068 N LYS A 70 10.688 0.412 3.601 1.00 0.00 N ATOM 1069 CA LYS A 70 11.701 0.301 4.695 1.00 0.00 C ATOM 1070 C LYS A 70 12.067 1.704 5.182 1.00 0.00 C ATOM 1071 O LYS A 70 12.346 1.917 6.345 1.00 0.00 O ATOM 1072 CB LYS A 70 12.953 -0.398 4.155 1.00 0.00 C ATOM 1073 CG LYS A 70 13.924 -0.702 5.301 1.00 0.00 C ATOM 1074 CD LYS A 70 15.349 -0.773 4.750 1.00 0.00 C ATOM 1075 CE LYS A 70 15.976 0.624 4.767 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.246 0.607 3.988 1.00 0.00 N ATOM 0 H LYS A 70 10.825 -0.234 2.823 1.00 0.00 H new ATOM 0 HA LYS A 70 11.291 -0.278 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.673 -1.323 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.441 0.235 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.856 0.072 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.658 -1.646 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.948 -1.459 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.337 -1.165 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.284 1.350 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.170 0.935 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.673 1.555 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.906 -0.074 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.047 0.328 3.006 1.00 0.00 H new ATOM 1090 N THR A 71 12.054 2.665 4.300 1.00 0.00 N ATOM 1091 CA THR A 71 12.386 4.055 4.711 1.00 0.00 C ATOM 1092 C THR A 71 11.298 4.557 5.662 1.00 0.00 C ATOM 1093 O THR A 71 11.579 5.150 6.684 1.00 0.00 O ATOM 1094 CB THR A 71 12.448 4.955 3.476 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.349 4.395 2.530 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.932 6.347 3.882 1.00 0.00 C ATOM 0 H THR A 71 11.828 2.546 3.313 1.00 0.00 H new ATOM 0 HA THR A 71 13.354 4.075 5.212 1.00 0.00 H new ATOM 0 HB THR A 71 11.456 5.033 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.842 3.979 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.976 6.988 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.241 6.775 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.925 6.272 4.326 1.00 0.00 H new ATOM 1104 N ILE A 72 10.057 4.312 5.338 1.00 0.00 N ATOM 1105 CA ILE A 72 8.952 4.763 6.229 1.00 0.00 C ATOM 1106 C ILE A 72 9.198 4.214 7.634 1.00 0.00 C ATOM 1107 O ILE A 72 8.919 4.859 8.624 1.00 0.00 O ATOM 1108 CB ILE A 72 7.612 4.234 5.707 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.445 4.615 4.234 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.472 4.847 6.522 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.202 3.927 3.661 1.00 0.00 C ATOM 0 H ILE A 72 9.762 3.819 4.495 1.00 0.00 H new ATOM 0 HA ILE A 72 8.921 5.852 6.250 1.00 0.00 H new ATOM 0 HB ILE A 72 7.590 3.149 5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.351 5.697 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.329 4.319 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.518 4.472 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.587 4.574 7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.498 5.932 6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.086 4.200 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.314 2.846 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.321 4.245 4.218 1.00 0.00 H new ATOM 1123 N ARG A 73 9.722 3.021 7.724 1.00 0.00 N ATOM 1124 CA ARG A 73 9.991 2.423 9.062 1.00 0.00 C ATOM 1125 C ARG A 73 11.235 3.077 9.671 1.00 0.00 C ATOM 1126 O ARG A 73 11.486 2.971 10.855 1.00 0.00 O ATOM 1127 CB ARG A 73 10.234 0.919 8.909 1.00 0.00 C ATOM 1128 CG ARG A 73 8.896 0.176 8.924 1.00 0.00 C ATOM 1129 CD ARG A 73 9.145 -1.326 8.784 1.00 0.00 C ATOM 1130 NE ARG A 73 9.741 -1.853 10.046 1.00 0.00 N ATOM 1131 CZ ARG A 73 11.014 -2.133 10.099 1.00 0.00 C ATOM 1132 NH1 ARG A 73 11.570 -2.824 9.143 1.00 0.00 N ATOM 1133 NH2 ARG A 73 11.730 -1.722 11.111 1.00 0.00 N ATOM 0 H ARG A 73 9.975 2.435 6.928 1.00 0.00 H new ATOM 0 HA ARG A 73 9.133 2.590 9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.761 0.719 7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.870 0.559 9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.364 0.382 9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.263 0.528 8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.209 -1.842 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.815 -1.517 7.946 1.00 0.00 H new ATOM 0 HE ARG A 73 9.153 -1.994 10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.010 -3.146 8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.565 -3.043 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.294 -1.183 11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.725 -1.940 11.154 1.00 0.00 H new ATOM 1147 N ALA A 74 12.016 3.749 8.869 1.00 0.00 N ATOM 1148 CA ALA A 74 13.245 4.405 9.401 1.00 0.00 C ATOM 1149 C ALA A 74 12.880 5.321 10.570 1.00 0.00 C ATOM 1150 O ALA A 74 13.674 5.552 11.460 1.00 0.00 O ATOM 1151 CB ALA A 74 13.900 5.233 8.295 1.00 0.00 C ATOM 0 H ALA A 74 11.856 3.872 7.869 1.00 0.00 H new ATOM 0 HA ALA A 74 13.939 3.639 9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.798 5.713 8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.167 4.582 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.202 5.996 7.949 1.00 0.00 H new ATOM 1157 N ASP A 75 11.687 5.848 10.574 1.00 0.00 N ATOM 1158 CA ASP A 75 11.278 6.751 11.688 1.00 0.00 C ATOM 1159 C ASP A 75 11.315 5.984 13.010 1.00 0.00 C ATOM 1160 O ASP A 75 12.338 5.462 13.409 1.00 0.00 O ATOM 1161 CB ASP A 75 9.859 7.263 11.435 1.00 0.00 C ATOM 1162 CG ASP A 75 9.466 8.248 12.538 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.166 9.233 12.700 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.474 7.998 13.201 1.00 0.00 O ATOM 0 H ASP A 75 10.979 5.693 9.856 1.00 0.00 H new ATOM 0 HA ASP A 75 11.966 7.595 11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.805 7.751 10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.159 6.428 11.412 1.00 0.00 H new ATOM 1169 N GLY A 76 10.208 5.911 13.696 1.00 0.00 N ATOM 1170 CA GLY A 76 10.181 5.178 14.994 1.00 0.00 C ATOM 1171 C GLY A 76 9.068 5.745 15.876 1.00 0.00 C ATOM 1172 O GLY A 76 8.455 5.038 16.653 1.00 0.00 O ATOM 0 H GLY A 76 9.320 6.327 13.414 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.016 4.115 14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.143 5.273 15.498 1.00 0.00 H new ATOM 1176 N ALA A 77 8.800 7.017 15.763 1.00 0.00 N ATOM 1177 CA ALA A 77 7.726 7.627 16.595 1.00 0.00 C ATOM 1178 C ALA A 77 6.369 7.388 15.929 1.00 0.00 C ATOM 1179 O ALA A 77 5.331 7.593 16.527 1.00 0.00 O ATOM 1180 CB ALA A 77 7.974 9.132 16.721 1.00 0.00 C ATOM 0 H ALA A 77 9.278 7.659 15.131 1.00 0.00 H new ATOM 0 HA ALA A 77 7.730 7.173 17.586 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.189 9.580 17.330 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.941 9.303 17.193 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.969 9.586 15.730 1.00 0.00 H new ATOM 1186 N MET A 78 6.375 6.953 14.695 1.00 0.00 N ATOM 1187 CA MET A 78 5.094 6.695 13.974 1.00 0.00 C ATOM 1188 C MET A 78 5.180 5.349 13.252 1.00 0.00 C ATOM 1189 O MET A 78 4.759 5.214 12.121 1.00 0.00 O ATOM 1190 CB MET A 78 4.851 7.806 12.950 1.00 0.00 C ATOM 1191 CG MET A 78 4.612 9.133 13.674 1.00 0.00 C ATOM 1192 SD MET A 78 2.980 9.778 13.231 1.00 0.00 S ATOM 1193 CE MET A 78 2.378 10.052 14.916 1.00 0.00 C ATOM 0 H MET A 78 7.218 6.765 14.153 1.00 0.00 H new ATOM 0 HA MET A 78 4.272 6.674 14.690 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.709 7.894 12.284 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.990 7.559 12.329 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.677 8.988 14.752 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.385 9.852 13.402 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.366 10.456 14.880 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.372 9.107 15.458 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.033 10.758 15.426 1.00 0.00 H new ATOM 1203 N SER A 79 5.723 4.354 13.896 1.00 0.00 N ATOM 1204 CA SER A 79 5.833 3.018 13.246 1.00 0.00 C ATOM 1205 C SER A 79 4.472 2.320 13.294 1.00 0.00 C ATOM 1206 O SER A 79 4.362 1.191 13.730 1.00 0.00 O ATOM 1207 CB SER A 79 6.865 2.173 13.992 1.00 0.00 C ATOM 1208 OG SER A 79 6.261 1.605 15.148 1.00 0.00 O ATOM 0 H SER A 79 6.095 4.408 14.844 1.00 0.00 H new ATOM 0 HA SER A 79 6.145 3.140 12.209 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.245 1.385 13.342 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.718 2.789 14.278 1.00 0.00 H new ATOM 0 HG SER A 79 5.624 0.911 14.877 1.00 0.00 H new ATOM 1214 N ALA A 80 3.437 2.990 12.853 1.00 0.00 N ATOM 1215 CA ALA A 80 2.072 2.381 12.873 1.00 0.00 C ATOM 1216 C ALA A 80 1.410 2.552 11.503 1.00 0.00 C ATOM 1217 O ALA A 80 0.554 1.778 11.128 1.00 0.00 O ATOM 1218 CB ALA A 80 1.223 3.075 13.939 1.00 0.00 C ATOM 0 H ALA A 80 3.479 3.938 12.478 1.00 0.00 H new ATOM 0 HA ALA A 80 2.153 1.319 13.103 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.227 2.633 13.956 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.692 2.951 14.915 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.144 4.137 13.707 1.00 0.00 H new ATOM 1224 N LEU A 81 1.803 3.562 10.764 1.00 0.00 N ATOM 1225 CA LEU A 81 1.208 3.805 9.411 1.00 0.00 C ATOM 1226 C LEU A 81 0.972 2.454 8.692 1.00 0.00 C ATOM 1227 O LEU A 81 1.919 1.861 8.215 1.00 0.00 O ATOM 1228 CB LEU A 81 2.195 4.651 8.589 1.00 0.00 C ATOM 1229 CG LEU A 81 1.456 5.802 7.890 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.319 5.236 7.037 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.878 6.773 8.929 1.00 0.00 C ATOM 0 H LEU A 81 2.517 4.235 11.043 1.00 0.00 H new ATOM 0 HA LEU A 81 0.256 4.326 9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.972 5.051 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.692 4.025 7.848 1.00 0.00 H new ATOM 0 HG LEU A 81 2.161 6.339 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.205 6.053 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.729 4.560 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.378 4.692 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.357 7.584 8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.179 6.241 9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.687 7.184 9.532 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.266 1.977 8.637 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.553 0.685 7.983 1.00 0.00 C ATOM 1245 C PRO A 82 -0.245 0.732 6.485 1.00 0.00 C ATOM 1246 O PRO A 82 -0.959 1.342 5.711 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.050 0.450 8.195 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.607 1.643 9.006 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.462 2.646 9.204 1.00 0.00 C ATOM 0 HA PRO A 82 0.063 -0.110 8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.563 0.367 7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.218 -0.486 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.438 2.110 8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.991 1.305 9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.668 3.587 8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.320 2.881 10.259 1.00 0.00 H new ATOM 1257 N VAL A 83 0.794 0.063 6.068 1.00 0.00 N ATOM 1258 CA VAL A 83 1.133 0.033 4.618 1.00 0.00 C ATOM 1259 C VAL A 83 0.842 -1.336 4.063 1.00 0.00 C ATOM 1260 O VAL A 83 1.560 -2.276 4.344 1.00 0.00 O ATOM 1261 CB VAL A 83 2.622 0.255 4.394 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.962 -0.172 2.959 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.979 1.721 4.586 1.00 0.00 C ATOM 0 H VAL A 83 1.424 -0.466 6.671 1.00 0.00 H new ATOM 0 HA VAL A 83 0.546 0.815 4.136 1.00 0.00 H new ATOM 0 HB VAL A 83 3.191 -0.333 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.026 -0.021 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.717 -1.226 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.385 0.427 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.048 1.860 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.420 2.328 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.725 2.027 5.601 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.138 -1.461 3.220 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.358 -2.785 2.617 1.00 0.00 C ATOM 1275 C LEU A 84 0.482 -2.792 1.357 1.00 0.00 C ATOM 1276 O LEU A 84 0.229 -2.060 0.421 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.844 -3.014 2.301 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.096 -4.407 1.666 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -1.116 -5.473 2.178 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.509 -4.860 2.024 1.00 0.00 C ATOM 0 H LEU A 84 -0.778 -0.721 2.931 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.074 -3.590 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.428 -2.922 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.194 -2.237 1.621 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.958 -4.305 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.336 -6.428 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.096 -5.175 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.220 -5.573 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.700 -5.839 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.607 -4.924 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.231 -4.141 1.637 1.00 0.00 H new ATOM 1292 N MET A 85 1.517 -3.570 1.350 1.00 0.00 N ATOM 1293 CA MET A 85 2.418 -3.577 0.187 1.00 0.00 C ATOM 1294 C MET A 85 1.958 -4.656 -0.807 1.00 0.00 C ATOM 1295 O MET A 85 1.944 -5.829 -0.495 1.00 0.00 O ATOM 1296 CB MET A 85 3.828 -3.853 0.715 1.00 0.00 C ATOM 1297 CG MET A 85 4.837 -3.886 -0.439 1.00 0.00 C ATOM 1298 SD MET A 85 5.971 -2.484 -0.284 1.00 0.00 S ATOM 1299 CE MET A 85 7.055 -2.903 -1.667 1.00 0.00 C ATOM 0 H MET A 85 1.776 -4.204 2.106 1.00 0.00 H new ATOM 0 HA MET A 85 2.408 -2.625 -0.344 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.112 -3.082 1.432 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.844 -4.804 1.247 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.394 -4.823 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.315 -3.842 -1.395 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.092 -2.890 -1.333 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.805 -3.897 -2.037 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.922 -2.175 -2.467 1.00 0.00 H new ATOM 1309 N VAL A 86 1.553 -4.270 -1.993 1.00 0.00 N ATOM 1310 CA VAL A 86 1.073 -5.277 -2.979 1.00 0.00 C ATOM 1311 C VAL A 86 2.143 -5.564 -4.027 1.00 0.00 C ATOM 1312 O VAL A 86 2.958 -4.729 -4.353 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.208 -4.760 -3.643 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.886 -3.748 -2.720 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.098 -4.086 -4.979 1.00 0.00 C ATOM 0 H VAL A 86 1.536 -3.303 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 86 0.860 -6.212 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.866 -5.610 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.797 -3.379 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.135 -4.228 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.210 -2.913 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.829 -3.729 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.770 -3.243 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.572 -4.804 -5.649 1.00 0.00 H new ATOM 1325 N THR A 87 2.139 -6.760 -4.551 1.00 0.00 N ATOM 1326 CA THR A 87 3.150 -7.134 -5.581 1.00 0.00 C ATOM 1327 C THR A 87 2.541 -8.178 -6.523 1.00 0.00 C ATOM 1328 O THR A 87 1.369 -8.129 -6.839 1.00 0.00 O ATOM 1329 CB THR A 87 4.387 -7.718 -4.892 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.373 -8.030 -5.866 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.996 -8.983 -4.131 1.00 0.00 C ATOM 0 H THR A 87 1.476 -7.497 -4.309 1.00 0.00 H new ATOM 0 HA THR A 87 3.441 -6.252 -6.152 1.00 0.00 H new ATOM 0 HB THR A 87 4.793 -6.987 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.265 -7.876 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.876 -9.399 -3.640 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.244 -8.739 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.589 -9.716 -4.828 1.00 0.00 H new ATOM 1339 N ALA A 88 3.322 -9.124 -6.971 1.00 0.00 N ATOM 1340 CA ALA A 88 2.778 -10.164 -7.888 1.00 0.00 C ATOM 1341 C ALA A 88 3.709 -11.378 -7.900 1.00 0.00 C ATOM 1342 O ALA A 88 3.330 -12.457 -8.311 1.00 0.00 O ATOM 1343 CB ALA A 88 2.673 -9.591 -9.302 1.00 0.00 C ATOM 0 H ALA A 88 4.311 -9.221 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 88 1.790 -10.469 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.275 -10.351 -9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.008 -8.728 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.661 -9.285 -9.645 1.00 0.00 H new ATOM 1349 N GLU A 89 4.925 -11.214 -7.454 1.00 0.00 N ATOM 1350 CA GLU A 89 5.873 -12.364 -7.446 1.00 0.00 C ATOM 1351 C GLU A 89 5.585 -13.256 -6.234 1.00 0.00 C ATOM 1352 O GLU A 89 5.010 -14.319 -6.359 1.00 0.00 O ATOM 1353 CB GLU A 89 7.313 -11.844 -7.376 1.00 0.00 C ATOM 1354 CG GLU A 89 8.083 -12.313 -8.612 1.00 0.00 C ATOM 1355 CD GLU A 89 8.193 -13.840 -8.596 1.00 0.00 C ATOM 1356 OE1 GLU A 89 7.492 -14.456 -7.810 1.00 0.00 O ATOM 1357 OE2 GLU A 89 8.976 -14.365 -9.369 1.00 0.00 O ATOM 0 H GLU A 89 5.302 -10.336 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 89 5.746 -12.945 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.316 -10.755 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.799 -12.208 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.573 -11.984 -9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.077 -11.866 -8.625 1.00 0.00 H new ATOM 1364 N ALA A 90 5.977 -12.832 -5.062 1.00 0.00 N ATOM 1365 CA ALA A 90 5.725 -13.657 -3.846 1.00 0.00 C ATOM 1366 C ALA A 90 6.391 -15.025 -4.006 1.00 0.00 C ATOM 1367 O ALA A 90 6.002 -15.823 -4.835 1.00 0.00 O ATOM 1368 CB ALA A 90 4.220 -13.842 -3.656 1.00 0.00 C ATOM 0 H ALA A 90 6.461 -11.950 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 90 6.141 -13.151 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.037 -14.445 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.746 -12.868 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.802 -14.345 -4.528 1.00 0.00 H new ATOM 1374 N LYS A 91 7.389 -15.301 -3.217 1.00 0.00 N ATOM 1375 CA LYS A 91 8.079 -16.618 -3.320 1.00 0.00 C ATOM 1376 C LYS A 91 8.595 -17.026 -1.941 1.00 0.00 C ATOM 1377 O LYS A 91 9.777 -17.221 -1.743 1.00 0.00 O ATOM 1378 CB LYS A 91 9.256 -16.503 -4.292 1.00 0.00 C ATOM 1379 CG LYS A 91 9.754 -17.902 -4.661 1.00 0.00 C ATOM 1380 CD LYS A 91 9.248 -18.276 -6.055 1.00 0.00 C ATOM 1381 CE LYS A 91 9.721 -19.688 -6.407 1.00 0.00 C ATOM 1382 NZ LYS A 91 8.956 -20.683 -5.604 1.00 0.00 N ATOM 0 H LYS A 91 7.758 -14.672 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 91 7.380 -17.370 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.949 -15.967 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.062 -15.927 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.843 -17.929 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.403 -18.629 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.159 -18.228 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.618 -17.563 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.578 -19.876 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.788 -19.786 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.071 -21.629 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.314 -20.690 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.948 -20.426 -5.602 1.00 0.00 H new ATOM 1396 N LYS A 92 7.715 -17.154 -0.984 1.00 0.00 N ATOM 1397 CA LYS A 92 8.152 -17.550 0.384 1.00 0.00 C ATOM 1398 C LYS A 92 9.263 -16.608 0.856 1.00 0.00 C ATOM 1399 O LYS A 92 9.010 -15.604 1.493 1.00 0.00 O ATOM 1400 CB LYS A 92 8.668 -18.991 0.355 1.00 0.00 C ATOM 1401 CG LYS A 92 9.087 -19.419 1.763 1.00 0.00 C ATOM 1402 CD LYS A 92 9.515 -20.889 1.739 1.00 0.00 C ATOM 1403 CE LYS A 92 9.976 -21.311 3.135 1.00 0.00 C ATOM 1404 NZ LYS A 92 10.812 -22.539 3.031 1.00 0.00 N ATOM 0 H LYS A 92 6.712 -17.001 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 92 7.310 -17.484 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.892 -19.657 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.515 -19.070 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.908 -18.795 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.260 -19.281 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.684 -21.515 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.321 -21.032 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.547 -20.507 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.113 -21.499 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.126 -22.827 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.252 -23.305 2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.642 -22.344 2.436 1.00 0.00 H new ATOM 1418 N GLU A 93 10.491 -16.922 0.550 1.00 0.00 N ATOM 1419 CA GLU A 93 11.617 -16.050 0.981 1.00 0.00 C ATOM 1420 C GLU A 93 11.291 -14.589 0.665 1.00 0.00 C ATOM 1421 O GLU A 93 11.887 -13.679 1.209 1.00 0.00 O ATOM 1422 CB GLU A 93 12.888 -16.459 0.233 1.00 0.00 C ATOM 1423 CG GLU A 93 12.826 -15.939 -1.205 1.00 0.00 C ATOM 1424 CD GLU A 93 13.614 -16.875 -2.122 1.00 0.00 C ATOM 1425 OE1 GLU A 93 13.384 -18.071 -2.053 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.436 -16.381 -2.877 1.00 0.00 O ATOM 0 H GLU A 93 10.763 -17.748 0.018 1.00 0.00 H new ATOM 0 HA GLU A 93 11.769 -16.161 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.765 -16.056 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.990 -17.544 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.789 -15.877 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.238 -14.931 -1.256 1.00 0.00 H new ATOM 1433 N ASN A 94 10.359 -14.353 -0.216 1.00 0.00 N ATOM 1434 CA ASN A 94 10.008 -12.948 -0.568 1.00 0.00 C ATOM 1435 C ASN A 94 8.903 -12.441 0.361 1.00 0.00 C ATOM 1436 O ASN A 94 8.878 -11.285 0.736 1.00 0.00 O ATOM 1437 CB ASN A 94 9.524 -12.893 -2.018 1.00 0.00 C ATOM 1438 CG ASN A 94 10.612 -12.280 -2.899 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.098 -11.201 -2.623 1.00 0.00 O ATOM 1440 ND2 ASN A 94 11.021 -12.929 -3.955 1.00 0.00 N ATOM 0 H ASN A 94 9.826 -15.071 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 94 10.889 -12.317 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.280 -13.896 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.611 -12.301 -2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.749 -12.530 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.613 -13.835 -4.187 1.00 0.00 H new ATOM 1447 N ILE A 95 7.990 -13.292 0.736 1.00 0.00 N ATOM 1448 CA ILE A 95 6.892 -12.849 1.640 1.00 0.00 C ATOM 1449 C ILE A 95 7.488 -12.454 2.997 1.00 0.00 C ATOM 1450 O ILE A 95 6.883 -11.739 3.769 1.00 0.00 O ATOM 1451 CB ILE A 95 5.875 -13.983 1.803 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.503 -14.516 0.417 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.609 -13.460 2.489 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.210 -15.327 0.507 1.00 0.00 C ATOM 0 H ILE A 95 7.956 -14.272 0.457 1.00 0.00 H new ATOM 0 HA ILE A 95 6.381 -11.985 1.215 1.00 0.00 H new ATOM 0 HB ILE A 95 6.313 -14.774 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.376 -13.688 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.308 -15.139 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.893 -14.274 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.865 -13.065 3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.168 -12.668 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.948 -15.705 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.353 -16.165 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.406 -14.690 0.877 1.00 0.00 H new ATOM 1466 N ILE A 96 8.686 -12.884 3.285 1.00 0.00 N ATOM 1467 CA ILE A 96 9.315 -12.489 4.577 1.00 0.00 C ATOM 1468 C ILE A 96 9.948 -11.119 4.390 1.00 0.00 C ATOM 1469 O ILE A 96 9.823 -10.245 5.227 1.00 0.00 O ATOM 1470 CB ILE A 96 10.395 -13.496 4.978 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.753 -14.663 5.733 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.419 -12.806 5.887 1.00 0.00 C ATOM 1473 CD1 ILE A 96 8.673 -15.307 4.862 1.00 0.00 C ATOM 0 H ILE A 96 9.252 -13.486 2.688 1.00 0.00 H new ATOM 0 HA ILE A 96 8.560 -12.465 5.362 1.00 0.00 H new ATOM 0 HB ILE A 96 10.892 -13.872 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.511 -15.401 5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.317 -14.309 6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.190 -13.521 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.877 -11.973 5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.919 -12.433 6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.218 -16.137 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.909 -14.567 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.122 -15.676 3.940 1.00 0.00 H new ATOM 1485 N ALA A 97 10.616 -10.920 3.289 1.00 0.00 N ATOM 1486 CA ALA A 97 11.241 -9.598 3.034 1.00 0.00 C ATOM 1487 C ALA A 97 10.194 -8.530 3.305 1.00 0.00 C ATOM 1488 O ALA A 97 10.503 -7.394 3.604 1.00 0.00 O ATOM 1489 CB ALA A 97 11.691 -9.507 1.574 1.00 0.00 C ATOM 0 H ALA A 97 10.755 -11.616 2.557 1.00 0.00 H new ATOM 0 HA ALA A 97 12.110 -9.461 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.149 -8.534 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.417 -10.293 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.828 -9.629 0.919 1.00 0.00 H new ATOM 1495 N ALA A 98 8.946 -8.894 3.193 1.00 0.00 N ATOM 1496 CA ALA A 98 7.869 -7.906 3.434 1.00 0.00 C ATOM 1497 C ALA A 98 8.101 -7.214 4.770 1.00 0.00 C ATOM 1498 O ALA A 98 8.147 -6.014 4.852 1.00 0.00 O ATOM 1499 CB ALA A 98 6.503 -8.591 3.465 1.00 0.00 C ATOM 0 H ALA A 98 8.631 -9.832 2.945 1.00 0.00 H new ATOM 0 HA ALA A 98 7.885 -7.178 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.727 -7.847 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.321 -9.083 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.486 -9.332 4.264 1.00 0.00 H new ATOM 1505 N ALA A 99 8.242 -7.944 5.833 1.00 0.00 N ATOM 1506 CA ALA A 99 8.465 -7.259 7.124 1.00 0.00 C ATOM 1507 C ALA A 99 9.641 -6.302 6.952 1.00 0.00 C ATOM 1508 O ALA A 99 9.607 -5.174 7.402 1.00 0.00 O ATOM 1509 CB ALA A 99 8.770 -8.280 8.218 1.00 0.00 C ATOM 0 H ALA A 99 8.213 -8.963 5.865 1.00 0.00 H new ATOM 0 HA ALA A 99 7.571 -6.709 7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.932 -7.763 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.929 -8.967 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.666 -8.841 7.953 1.00 0.00 H new ATOM 1515 N GLN A 100 10.669 -6.729 6.272 1.00 0.00 N ATOM 1516 CA GLN A 100 11.823 -5.818 6.044 1.00 0.00 C ATOM 1517 C GLN A 100 11.319 -4.606 5.257 1.00 0.00 C ATOM 1518 O GLN A 100 11.848 -3.517 5.359 1.00 0.00 O ATOM 1519 CB GLN A 100 12.902 -6.544 5.236 1.00 0.00 C ATOM 1520 CG GLN A 100 14.175 -6.675 6.076 1.00 0.00 C ATOM 1521 CD GLN A 100 13.874 -7.487 7.338 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.992 -6.987 8.439 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.490 -8.729 7.224 1.00 0.00 N ATOM 0 H GLN A 100 10.759 -7.661 5.868 1.00 0.00 H new ATOM 0 HA GLN A 100 12.251 -5.503 6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.546 -7.531 4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.115 -5.994 4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.958 -7.163 5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.548 -5.687 6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.391 -9.149 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.289 -9.279 8.059 1.00 0.00 H new ATOM 1532 N ALA A 101 10.282 -4.793 4.481 1.00 0.00 N ATOM 1533 CA ALA A 101 9.715 -3.661 3.690 1.00 0.00 C ATOM 1534 C ALA A 101 8.203 -3.832 3.575 1.00 0.00 C ATOM 1535 O ALA A 101 7.461 -3.086 4.162 1.00 0.00 O ATOM 1536 CB ALA A 101 10.324 -3.636 2.295 1.00 0.00 C ATOM 0 H ALA A 101 9.802 -5.685 4.361 1.00 0.00 H new ATOM 0 HA ALA A 101 9.946 -2.724 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.902 -2.806 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.404 -3.511 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.103 -4.573 1.784 1.00 0.00 H new ATOM 1542 N GLY A 102 7.759 -4.838 2.848 1.00 0.00 N ATOM 1543 CA GLY A 102 6.297 -5.106 2.702 1.00 0.00 C ATOM 1544 C GLY A 102 5.735 -5.330 4.095 1.00 0.00 C ATOM 1545 O GLY A 102 5.578 -6.420 4.604 1.00 0.00 O ATOM 0 H GLY A 102 8.361 -5.490 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.799 -4.266 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.128 -5.981 2.075 1.00 0.00 H new ATOM 1549 N ALA A 103 5.542 -4.240 4.697 1.00 0.00 N ATOM 1550 CA ALA A 103 5.098 -4.112 6.098 1.00 0.00 C ATOM 1551 C ALA A 103 3.723 -4.706 6.415 1.00 0.00 C ATOM 1552 O ALA A 103 3.555 -5.904 6.520 1.00 0.00 O ATOM 1553 CB ALA A 103 5.062 -2.631 6.372 1.00 0.00 C ATOM 0 H ALA A 103 5.684 -3.337 4.244 1.00 0.00 H new ATOM 0 HA ALA A 103 5.789 -4.678 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.739 -2.459 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.057 -2.210 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.363 -2.151 5.687 1.00 0.00 H new ATOM 1559 N SER A 104 2.773 -3.834 6.653 1.00 0.00 N ATOM 1560 CA SER A 104 1.391 -4.256 7.071 1.00 0.00 C ATOM 1561 C SER A 104 1.011 -5.621 6.507 1.00 0.00 C ATOM 1562 O SER A 104 0.686 -6.532 7.244 1.00 0.00 O ATOM 1563 CB SER A 104 0.366 -3.221 6.617 1.00 0.00 C ATOM 1564 OG SER A 104 -0.705 -3.185 7.551 1.00 0.00 O ATOM 0 H SER A 104 2.897 -2.825 6.574 1.00 0.00 H new ATOM 0 HA SER A 104 1.394 -4.329 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.832 -2.239 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.009 -3.473 5.625 1.00 0.00 H new ATOM 0 HG SER A 104 -1.366 -2.520 7.265 1.00 0.00 H new ATOM 1570 N GLY A 105 1.028 -5.781 5.222 1.00 0.00 N ATOM 1571 CA GLY A 105 0.646 -7.099 4.654 1.00 0.00 C ATOM 1572 C GLY A 105 1.183 -7.229 3.241 1.00 0.00 C ATOM 1573 O GLY A 105 1.756 -6.304 2.698 1.00 0.00 O ATOM 0 H GLY A 105 1.287 -5.066 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.041 -7.901 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.439 -7.202 4.651 1.00 0.00 H new ATOM 1577 N TYR A 106 0.988 -8.369 2.642 1.00 0.00 N ATOM 1578 CA TYR A 106 1.458 -8.574 1.250 1.00 0.00 C ATOM 1579 C TYR A 106 0.308 -9.154 0.443 1.00 0.00 C ATOM 1580 O TYR A 106 -0.133 -10.259 0.693 1.00 0.00 O ATOM 1581 CB TYR A 106 2.638 -9.556 1.206 1.00 0.00 C ATOM 1582 CG TYR A 106 2.384 -10.616 0.143 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.625 -10.342 -1.216 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.906 -11.880 0.518 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.388 -11.330 -2.182 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.669 -12.861 -0.449 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.910 -12.588 -1.797 1.00 0.00 C ATOM 1588 OH TYR A 106 1.680 -13.562 -2.747 1.00 0.00 O ATOM 0 H TYR A 106 0.520 -9.172 3.062 1.00 0.00 H new ATOM 0 HA TYR A 106 1.788 -7.619 0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.561 -9.020 0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.768 -10.028 2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.992 -9.371 -1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.720 -12.097 1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.575 -11.120 -3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.299 -13.832 -0.153 1.00 0.00 H new ATOM 0 HH TYR A 106 1.351 -14.375 -2.309 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.176 -8.426 -0.521 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.293 -8.951 -1.357 1.00 0.00 C ATOM 1600 C VAL A 107 -0.842 -8.945 -2.808 1.00 0.00 C ATOM 1601 O VAL A 107 -0.444 -7.929 -3.340 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.549 -8.088 -1.191 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.295 -6.681 -1.722 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.699 -8.719 -1.977 1.00 0.00 C ATOM 0 H VAL A 107 0.151 -7.492 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.543 -9.964 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.804 -8.030 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.194 -6.078 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.474 -6.226 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.035 -6.733 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.595 -8.109 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.431 -8.776 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.892 -9.722 -1.597 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.878 -10.078 -3.448 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.434 -10.135 -4.861 1.00 0.00 C ATOM 1616 C VAL A 108 -1.212 -9.088 -5.663 1.00 0.00 C ATOM 1617 O VAL A 108 -1.894 -8.258 -5.107 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.708 -11.527 -5.430 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.028 -12.572 -4.592 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -2.212 -11.808 -5.384 1.00 0.00 C ATOM 0 H VAL A 108 -1.195 -10.963 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 108 0.635 -9.931 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.359 -11.574 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.166 -13.565 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.099 -12.372 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.323 -12.525 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.409 -12.800 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.559 -11.762 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.740 -11.062 -5.978 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.127 -9.111 -6.960 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.880 -8.097 -7.761 1.00 0.00 C ATOM 1632 C LYS A 109 -1.951 -8.554 -9.233 1.00 0.00 C ATOM 1633 O LYS A 109 -1.062 -9.249 -9.682 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.142 -6.755 -7.660 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.115 -6.627 -8.793 1.00 0.00 C ATOM 1636 CD LYS A 109 0.886 -5.521 -8.453 1.00 0.00 C ATOM 1637 CE LYS A 109 1.865 -5.346 -9.616 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.817 -3.937 -10.099 1.00 0.00 N ATOM 0 H LYS A 109 -0.577 -9.778 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.895 -7.989 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.857 -5.934 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.641 -6.679 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.407 -7.574 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.620 -6.399 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.360 -4.586 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.428 -5.774 -7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.876 -5.597 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.609 -6.028 -10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.054 -3.909 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.861 -3.553 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.503 -3.364 -9.567 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.969 -8.136 -9.971 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.087 -7.285 -9.485 1.00 0.00 C ATOM 1654 C PRO A 110 -5.047 -8.102 -8.606 1.00 0.00 C ATOM 1655 O PRO A 110 -5.159 -9.303 -8.754 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.830 -6.858 -10.760 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.116 -7.520 -11.965 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.042 -8.462 -11.405 1.00 0.00 C ATOM 0 HA PRO A 110 -3.725 -6.446 -8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.874 -7.168 -10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.824 -5.773 -10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.829 -8.072 -12.577 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.665 -6.763 -12.606 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.312 -9.507 -11.560 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.082 -8.304 -11.896 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.748 -7.452 -7.707 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.714 -8.179 -6.827 1.00 0.00 C ATOM 1668 C PHE A 111 -8.119 -7.656 -7.069 1.00 0.00 C ATOM 1669 O PHE A 111 -8.323 -6.524 -7.460 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.385 -7.940 -5.345 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.884 -6.526 -5.165 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.768 -5.444 -5.262 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.529 -6.296 -4.948 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.285 -4.138 -5.140 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.045 -4.992 -4.836 1.00 0.00 C ATOM 1676 CZ PHE A 111 -4.923 -3.910 -4.934 1.00 0.00 C ATOM 0 H PHE A 111 -5.691 -6.446 -7.546 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.644 -9.241 -7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.272 -8.104 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.630 -8.651 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.820 -5.618 -5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.849 -7.131 -4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.967 -3.303 -5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.991 -4.819 -4.674 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.549 -2.900 -4.851 1.00 0.00 H new ATOM 1686 N THR A 112 -9.089 -8.463 -6.790 1.00 0.00 N ATOM 1687 CA THR A 112 -10.491 -8.012 -6.934 1.00 0.00 C ATOM 1688 C THR A 112 -10.888 -7.414 -5.588 1.00 0.00 C ATOM 1689 O THR A 112 -10.367 -7.800 -4.562 1.00 0.00 O ATOM 1690 CB THR A 112 -11.398 -9.198 -7.265 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.661 -10.170 -7.993 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.580 -8.714 -8.107 1.00 0.00 C ATOM 0 H THR A 112 -8.973 -9.423 -6.466 1.00 0.00 H new ATOM 0 HA THR A 112 -10.590 -7.285 -7.740 1.00 0.00 H new ATOM 0 HB THR A 112 -11.768 -9.643 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.242 -10.931 -8.204 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.228 -9.558 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.145 -7.969 -7.547 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.211 -8.269 -9.031 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.772 -6.467 -5.565 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.140 -5.864 -4.257 1.00 0.00 C ATOM 1702 C ALA A 113 -12.484 -6.970 -3.272 1.00 0.00 C ATOM 1703 O ALA A 113 -12.519 -6.756 -2.081 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.338 -4.928 -4.429 1.00 0.00 C ATOM 0 H ALA A 113 -12.252 -6.086 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.297 -5.287 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.600 -4.491 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.081 -4.133 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.188 -5.491 -4.815 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.713 -8.157 -3.753 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.025 -9.271 -2.823 1.00 0.00 C ATOM 1712 C ALA A 114 -11.714 -9.808 -2.263 1.00 0.00 C ATOM 1713 O ALA A 114 -11.633 -10.207 -1.118 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.768 -10.382 -3.569 1.00 0.00 C ATOM 0 H ALA A 114 -12.698 -8.402 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.661 -8.915 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.993 -11.196 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.697 -9.986 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.143 -10.756 -4.380 1.00 0.00 H new ATOM 1720 N THR A 115 -10.676 -9.801 -3.054 1.00 0.00 N ATOM 1721 CA THR A 115 -9.371 -10.290 -2.547 1.00 0.00 C ATOM 1722 C THR A 115 -8.794 -9.238 -1.603 1.00 0.00 C ATOM 1723 O THR A 115 -8.589 -9.505 -0.433 1.00 0.00 O ATOM 1724 CB THR A 115 -8.409 -10.536 -3.706 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.968 -10.011 -4.893 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.177 -12.039 -3.870 1.00 0.00 C ATOM 0 H THR A 115 -10.678 -9.480 -4.022 1.00 0.00 H new ATOM 0 HA THR A 115 -9.512 -11.232 -2.017 1.00 0.00 H new ATOM 0 HB THR A 115 -7.457 -10.046 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.114 -9.048 -4.788 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.490 -12.213 -4.698 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.749 -12.443 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.126 -12.533 -4.076 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.529 -8.034 -2.072 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.976 -7.027 -1.133 1.00 0.00 C ATOM 1736 C LEU A 116 -8.870 -6.977 0.112 1.00 0.00 C ATOM 1737 O LEU A 116 -8.392 -6.804 1.215 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.938 -5.634 -1.784 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.507 -5.056 -1.806 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.574 -3.571 -2.148 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.830 -5.185 -0.441 1.00 0.00 C ATOM 0 H LEU A 116 -8.670 -7.723 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.958 -7.311 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.321 -5.697 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.596 -4.958 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.934 -5.614 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.566 -3.156 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.036 -3.444 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.168 -3.051 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.824 -4.768 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.410 -4.642 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.773 -6.237 -0.161 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.166 -7.132 -0.048 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.059 -7.096 1.138 1.00 0.00 C ATOM 1755 C GLU A 117 -10.583 -8.121 2.167 1.00 0.00 C ATOM 1756 O GLU A 117 -10.141 -7.777 3.246 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.483 -7.446 0.712 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.265 -6.161 0.430 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.510 -6.491 -0.397 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.970 -7.618 -0.314 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.979 -5.612 -1.101 1.00 0.00 O ATOM 0 H GLU A 117 -10.632 -7.280 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.038 -6.098 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.463 -8.074 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.977 -8.020 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.554 -5.686 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.636 -5.451 -0.107 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.677 -9.377 1.833 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.241 -10.447 2.774 1.00 0.00 C ATOM 1770 C GLU A 118 -8.901 -10.068 3.403 1.00 0.00 C ATOM 1771 O GLU A 118 -8.577 -10.490 4.496 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.083 -11.763 2.006 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.409 -12.526 2.014 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.264 -13.809 1.194 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.537 -13.784 0.214 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.883 -14.796 1.558 1.00 0.00 O ATOM 0 H GLU A 118 -11.040 -9.712 0.941 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.989 -10.563 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.774 -11.562 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.300 -12.370 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.696 -12.766 3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.201 -11.904 1.598 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.114 -9.281 2.723 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.794 -8.889 3.290 1.00 0.00 C ATOM 1785 C LYS A 119 -6.956 -7.700 4.243 1.00 0.00 C ATOM 1786 O LYS A 119 -6.379 -7.677 5.312 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.840 -8.505 2.155 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.988 -9.716 1.758 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.895 -10.828 1.221 1.00 0.00 C ATOM 1790 CE LYS A 119 -5.078 -11.791 0.354 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.083 -12.503 1.204 1.00 0.00 N ATOM 0 H LYS A 119 -8.327 -8.894 1.804 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.385 -9.734 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.408 -8.151 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.196 -7.684 2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.260 -9.428 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.425 -10.076 2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.352 -11.369 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.707 -10.397 0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.738 -12.510 -0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.569 -11.241 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.622 -13.251 0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.365 -11.828 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.566 -12.928 2.022 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.723 -6.708 3.875 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.887 -5.536 4.785 1.00 0.00 C ATOM 1807 C LEU A 120 -8.651 -5.962 6.039 1.00 0.00 C ATOM 1808 O LEU A 120 -8.180 -5.801 7.145 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.669 -4.409 4.089 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.765 -3.578 3.161 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.587 -2.445 2.547 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -6.606 -2.955 3.944 1.00 0.00 C ATOM 0 H LEU A 120 -8.237 -6.657 2.995 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.895 -5.171 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.488 -4.837 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.116 -3.758 4.841 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.366 -4.237 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.953 -1.851 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.414 -2.865 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.981 -1.810 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.981 -2.373 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.002 -2.304 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.009 -3.745 4.400 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.831 -6.493 5.883 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.618 -6.911 7.075 1.00 0.00 C ATOM 1826 C ASN A 121 -9.753 -7.785 7.988 1.00 0.00 C ATOM 1827 O ASN A 121 -9.961 -7.842 9.183 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.848 -7.701 6.624 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.074 -6.785 6.627 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -14.110 -7.140 7.154 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.000 -5.613 6.057 1.00 0.00 N ATOM 0 H ASN A 121 -10.284 -6.655 4.983 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.936 -6.025 7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.687 -8.106 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.013 -8.549 7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.812 -4.995 6.054 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.131 -5.315 5.615 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.785 -8.463 7.438 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.913 -9.326 8.283 1.00 0.00 C ATOM 1840 C LYS A 122 -6.798 -8.472 8.891 1.00 0.00 C ATOM 1841 O LYS A 122 -6.219 -8.815 9.903 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.301 -10.434 7.423 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.425 -11.339 8.294 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.393 -12.748 7.698 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.832 -12.690 6.276 1.00 0.00 C ATOM 1846 NZ LYS A 122 -6.941 -12.432 5.315 1.00 0.00 N ATOM 0 H LYS A 122 -8.560 -8.457 6.443 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.505 -9.776 9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.090 -11.020 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.706 -9.998 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.414 -10.935 8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.816 -11.372 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.778 -13.402 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.397 -13.172 7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.081 -11.903 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.335 -13.629 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.757 -12.942 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.839 -12.761 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.002 -11.412 5.121 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.495 -7.360 8.279 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.420 -6.477 8.815 1.00 0.00 C ATOM 1862 C ILE A 123 -6.016 -5.497 9.825 1.00 0.00 C ATOM 1863 O ILE A 123 -5.410 -5.188 10.833 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.796 -5.685 7.665 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.742 -6.545 6.967 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.138 -4.411 8.207 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.523 -6.028 5.545 1.00 0.00 C ATOM 0 H ILE A 123 -6.947 -7.024 7.429 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.661 -7.089 9.302 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.575 -5.412 6.953 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.806 -6.515 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.065 -7.586 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.695 -3.851 7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.889 -3.795 8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.361 -4.679 8.922 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.772 -6.641 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.460 -6.080 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.181 -4.994 5.583 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.189 -4.991 9.560 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.800 -4.021 10.503 1.00 0.00 C ATOM 1881 C PHE A 124 -8.114 -4.709 11.829 1.00 0.00 C ATOM 1882 O PHE A 124 -8.499 -4.073 12.790 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.070 -3.430 9.888 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.672 -2.311 8.958 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -8.088 -1.149 9.477 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.868 -2.439 7.580 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.701 -0.115 8.620 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.484 -1.405 6.722 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.900 -0.244 7.239 1.00 0.00 C ATOM 0 H PHE A 124 -7.747 -5.208 8.734 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.096 -3.211 10.693 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.621 -4.197 9.344 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.732 -3.056 10.670 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.936 -1.052 10.542 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.316 -3.336 7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -7.250 0.781 9.021 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.638 -1.503 5.658 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.602 0.553 6.574 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.926 -5.996 11.905 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.188 -6.697 13.190 1.00 0.00 C ATOM 1901 C GLU A 125 -7.079 -6.314 14.166 1.00 0.00 C ATOM 1902 O GLU A 125 -7.260 -6.313 15.367 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.189 -8.212 12.968 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.959 -8.892 14.102 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.832 -10.410 13.966 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.519 -10.970 13.128 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -8.052 -10.988 14.704 1.00 0.00 O ATOM 0 H GLU A 125 -7.605 -6.588 11.139 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.161 -6.409 13.589 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.648 -8.450 12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.166 -8.586 12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.568 -8.569 15.067 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.009 -8.600 14.070 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.934 -5.964 13.646 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.806 -5.549 14.521 1.00 0.00 C ATOM 1916 C LYS A 126 -4.889 -4.037 14.726 1.00 0.00 C ATOM 1917 O LYS A 126 -4.575 -3.521 15.780 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.477 -5.907 13.854 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.008 -7.276 14.351 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.687 -7.642 13.670 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.769 -9.071 13.131 1.00 0.00 C ATOM 1922 NZ LYS A 126 -2.059 -10.009 14.252 1.00 0.00 N ATOM 0 H LYS A 126 -5.733 -5.948 12.646 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.866 -6.062 15.481 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.594 -5.923 12.770 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.728 -5.149 14.083 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.878 -7.257 15.433 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.763 -8.032 14.134 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.480 -6.947 12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.864 -7.556 14.380 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.549 -9.141 12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.830 -9.343 12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.680 -10.950 14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.613 -9.657 15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.087 -10.075 14.392 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.328 -3.322 13.721 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.451 -1.845 13.856 1.00 0.00 C ATOM 1938 C LEU A 127 -6.709 -1.534 14.671 1.00 0.00 C ATOM 1939 O LEU A 127 -6.888 -0.440 15.165 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.565 -1.202 12.462 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.471 -0.146 12.271 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.591 0.935 13.349 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.094 -0.809 12.358 1.00 0.00 C ATOM 0 H LEU A 127 -5.605 -3.700 12.815 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.571 -1.443 14.358 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.478 -1.969 11.692 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.547 -0.743 12.345 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.590 0.315 11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.809 1.681 13.205 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.567 1.414 13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.482 0.481 14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.318 -0.056 12.222 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.977 -1.278 13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.005 -1.566 11.579 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.581 -2.497 14.822 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.823 -2.257 15.608 1.00 0.00 C ATOM 1957 C GLY A 128 -9.607 -1.103 14.986 1.00 0.00 C ATOM 1958 O GLY A 128 -9.470 0.037 15.385 1.00 0.00 O ATOM 0 H GLY A 128 -7.485 -3.436 14.435 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.435 -3.159 15.625 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.571 -2.023 16.643 1.00 0.00 H new ATOM 1962 N MET A 129 -10.425 -1.395 14.008 1.00 0.00 N ATOM 1963 CA MET A 129 -11.227 -0.328 13.343 1.00 0.00 C ATOM 1964 C MET A 129 -12.687 -0.774 13.259 1.00 0.00 C ATOM 1965 O MET A 129 -13.498 -0.224 13.987 1.00 0.00 O ATOM 1966 CB MET A 129 -10.683 -0.095 11.932 1.00 0.00 C ATOM 1967 CG MET A 129 -9.843 1.183 11.909 1.00 0.00 C ATOM 1968 SD MET A 129 -8.466 1.023 13.074 1.00 0.00 S ATOM 1969 CE MET A 129 -8.827 2.497 14.059 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.971 -1.660 12.469 1.00 0.00 O ATOM 0 H MET A 129 -10.572 -2.335 13.640 1.00 0.00 H new ATOM 0 HA MET A 129 -11.160 0.596 13.917 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.077 -0.946 11.620 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.507 -0.013 11.223 1.00 0.00 H new ATOM 0 HG2 MET A 129 -9.463 1.363 10.903 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.460 2.041 12.175 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.201 2.501 14.951 1.00 0.00 H new ATOM 0 HE2 MET A 129 -8.621 3.389 13.468 1.00 0.00 H new ATOM 0 HE3 MET A 129 -9.877 2.491 14.352 1.00 0.00 H new