USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 589 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 39 MET CE :methyl -147:sc= -2.4! (180deg=-3.24!) USER MOD Set 1.2: A 61 MET CE :methyl 131:sc=-0.00266 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0738 (180deg=0) USER MOD Single : A 2 SER OG : rot 55:sc= 0.339 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.153 K(o=-0.15,f=-4.2!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.918 F(o=-1.9!,f=-0.92) USER MOD Single : A 37 THR OG1 : rot -92:sc= -1.51 USER MOD Single : A 44 ASN : amide:sc= -3.49 K(o=-3.5,f=-9.6!) USER MOD Single : A 47 THR OG1 : rot 83:sc= 0.182 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -3.82! C(o=-3.8!,f=-3.4!) USER MOD Single : A 53 ASN : amide:sc= -12.3! C(o=-12!,f=-21!) USER MOD Single : A 54 HIS : no HE2:sc= 0.00514 X(o=0.0051,f=-0.043) USER MOD Single : A 55 MET CE :methyl -116:sc= -5.49! (180deg=-9.01!) USER MOD Single : A 56 SER OG : rot 140:sc= -2.34 USER MOD Single : A 59 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.78) USER MOD Single : A 67 HIS : no HD1:sc= -17.7! C(o=-18!,f=-20!) USER MOD Single : A 72 THR OG1 : rot -95:sc= 0.103 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 78 SER OG : rot 43:sc= 0.752 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.807 28.217 7.668 1.00 0.00 N ATOM 2 CA GLY A 1 -22.285 26.871 7.404 1.00 0.00 C ATOM 3 C GLY A 1 -21.201 26.025 6.733 1.00 0.00 C ATOM 4 O GLY A 1 -20.015 26.338 6.832 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.137 28.525 8.605 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.767 28.227 7.647 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.174 28.864 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.592 26.401 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.166 26.913 6.764 1.00 0.00 H new ATOM 8 N SER A 2 -21.646 24.971 6.065 1.00 0.00 N ATOM 9 CA SER A 2 -20.729 24.079 5.378 1.00 0.00 C ATOM 10 C SER A 2 -21.513 23.025 4.593 1.00 0.00 C ATOM 11 O SER A 2 -22.730 22.915 4.739 1.00 0.00 O ATOM 12 CB SER A 2 -19.774 23.403 6.364 1.00 0.00 C ATOM 13 OG SER A 2 -18.467 23.967 6.313 1.00 0.00 O ATOM 0 H SER A 2 -22.630 24.715 5.985 1.00 0.00 H new ATOM 0 HA SER A 2 -20.133 24.671 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.170 23.497 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.718 22.337 6.142 1.00 0.00 H new ATOM 0 HG SER A 2 -18.522 24.934 6.463 1.00 0.00 H new ATOM 19 N SER A 3 -20.785 22.278 3.776 1.00 0.00 N ATOM 20 CA SER A 3 -21.397 21.238 2.968 1.00 0.00 C ATOM 21 C SER A 3 -20.321 20.295 2.425 1.00 0.00 C ATOM 22 O SER A 3 -19.131 20.591 2.512 1.00 0.00 O ATOM 23 CB SER A 3 -22.206 21.839 1.816 1.00 0.00 C ATOM 24 OG SER A 3 -21.427 22.736 1.029 1.00 0.00 O ATOM 0 H SER A 3 -19.776 22.373 3.657 1.00 0.00 H new ATOM 0 HA SER A 3 -22.081 20.673 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.586 21.037 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.072 22.366 2.217 1.00 0.00 H new ATOM 0 HG SER A 3 -21.978 23.097 0.303 1.00 0.00 H new ATOM 30 N GLY A 4 -20.779 19.178 1.878 1.00 0.00 N ATOM 31 CA GLY A 4 -19.871 18.190 1.322 1.00 0.00 C ATOM 32 C GLY A 4 -20.598 16.875 1.037 1.00 0.00 C ATOM 33 O GLY A 4 -21.759 16.711 1.409 1.00 0.00 O ATOM 0 H GLY A 4 -21.767 18.936 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.431 18.573 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.051 18.013 2.018 1.00 0.00 H new ATOM 37 N SER A 5 -19.886 15.972 0.379 1.00 0.00 N ATOM 38 CA SER A 5 -20.450 14.676 0.040 1.00 0.00 C ATOM 39 C SER A 5 -19.348 13.615 0.019 1.00 0.00 C ATOM 40 O SER A 5 -18.164 13.946 -0.025 1.00 0.00 O ATOM 41 CB SER A 5 -21.166 14.724 -1.311 1.00 0.00 C ATOM 42 OG SER A 5 -22.382 13.982 -1.297 1.00 0.00 O ATOM 0 H SER A 5 -18.924 16.112 0.071 1.00 0.00 H new ATOM 0 HA SER A 5 -21.184 14.413 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.377 15.761 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.508 14.327 -2.084 1.00 0.00 H new ATOM 0 HG SER A 5 -22.810 14.039 -2.177 1.00 0.00 H new ATOM 48 N SER A 6 -19.776 12.362 0.052 1.00 0.00 N ATOM 49 CA SER A 6 -18.840 11.251 0.038 1.00 0.00 C ATOM 50 C SER A 6 -19.509 10.011 -0.559 1.00 0.00 C ATOM 51 O SER A 6 -20.729 9.868 -0.494 1.00 0.00 O ATOM 52 CB SER A 6 -18.322 10.949 1.445 1.00 0.00 C ATOM 53 OG SER A 6 -19.355 10.475 2.304 1.00 0.00 O ATOM 0 H SER A 6 -20.759 12.091 0.088 1.00 0.00 H new ATOM 0 HA SER A 6 -17.987 11.530 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.528 10.204 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.882 11.851 1.871 1.00 0.00 H new ATOM 0 HG SER A 6 -18.984 10.292 3.192 1.00 0.00 H new ATOM 59 N GLY A 7 -18.681 9.146 -1.126 1.00 0.00 N ATOM 60 CA GLY A 7 -19.178 7.923 -1.734 1.00 0.00 C ATOM 61 C GLY A 7 -18.731 6.695 -0.938 1.00 0.00 C ATOM 62 O GLY A 7 -18.744 6.709 0.292 1.00 0.00 O ATOM 0 H GLY A 7 -17.670 9.268 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.266 7.953 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.815 7.848 -2.759 1.00 0.00 H new ATOM 66 N ASP A 8 -18.344 5.662 -1.673 1.00 0.00 N ATOM 67 CA ASP A 8 -17.894 4.429 -1.052 1.00 0.00 C ATOM 68 C ASP A 8 -17.479 3.436 -2.140 1.00 0.00 C ATOM 69 O ASP A 8 -18.304 3.015 -2.949 1.00 0.00 O ATOM 70 CB ASP A 8 -19.012 3.786 -0.228 1.00 0.00 C ATOM 71 CG ASP A 8 -18.544 2.764 0.810 1.00 0.00 C ATOM 72 OD1 ASP A 8 -17.507 2.119 0.544 1.00 0.00 O ATOM 73 OD2 ASP A 8 -19.235 2.650 1.845 1.00 0.00 O ATOM 0 H ASP A 8 -18.333 5.655 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.056 4.669 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.565 4.574 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.709 3.297 -0.908 1.00 0.00 H new ATOM 78 N ALA A 9 -16.199 3.092 -2.125 1.00 0.00 N ATOM 79 CA ALA A 9 -15.665 2.157 -3.101 1.00 0.00 C ATOM 80 C ALA A 9 -14.274 1.702 -2.656 1.00 0.00 C ATOM 81 O ALA A 9 -13.541 2.461 -2.023 1.00 0.00 O ATOM 82 CB ALA A 9 -15.649 2.814 -4.482 1.00 0.00 C ATOM 0 H ALA A 9 -15.517 3.444 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.296 1.271 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.248 2.113 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.664 3.093 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.023 3.706 -4.453 1.00 0.00 H new ATOM 88 N VAL A 10 -13.951 0.465 -3.004 1.00 0.00 N ATOM 89 CA VAL A 10 -12.661 -0.100 -2.648 1.00 0.00 C ATOM 90 C VAL A 10 -12.213 -1.069 -3.745 1.00 0.00 C ATOM 91 O VAL A 10 -12.637 -0.951 -4.893 1.00 0.00 O ATOM 92 CB VAL A 10 -12.739 -0.755 -1.267 1.00 0.00 C ATOM 93 CG1 VAL A 10 -13.354 0.199 -0.242 1.00 0.00 C ATOM 94 CG2 VAL A 10 -13.517 -2.071 -1.328 1.00 0.00 C ATOM 0 H VAL A 10 -14.561 -0.162 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.907 0.684 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.722 -0.982 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.398 -0.291 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.742 1.098 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.361 0.471 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.558 -2.516 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.530 -1.879 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.018 -2.757 -2.012 1.00 0.00 H new ATOM 104 N GLU A 11 -11.362 -2.005 -3.351 1.00 0.00 N ATOM 105 CA GLU A 11 -10.853 -2.994 -4.287 1.00 0.00 C ATOM 106 C GLU A 11 -9.952 -3.996 -3.562 1.00 0.00 C ATOM 107 O GLU A 11 -9.196 -3.621 -2.666 1.00 0.00 O ATOM 108 CB GLU A 11 -10.108 -2.323 -5.442 1.00 0.00 C ATOM 109 CG GLU A 11 -9.132 -1.264 -4.924 1.00 0.00 C ATOM 110 CD GLU A 11 -8.469 -0.516 -6.083 1.00 0.00 C ATOM 111 OE1 GLU A 11 -7.883 -1.207 -6.943 1.00 0.00 O ATOM 112 OE2 GLU A 11 -8.565 0.730 -6.081 1.00 0.00 O ATOM 0 H GLU A 11 -11.012 -2.100 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.699 -3.535 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.564 -3.075 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.824 -1.861 -6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.662 -0.557 -4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.368 -1.739 -4.308 1.00 0.00 H new ATOM 119 N LEU A 12 -10.062 -5.249 -3.975 1.00 0.00 N ATOM 120 CA LEU A 12 -9.266 -6.308 -3.377 1.00 0.00 C ATOM 121 C LEU A 12 -9.628 -7.643 -4.029 1.00 0.00 C ATOM 122 O LEU A 12 -10.797 -8.027 -4.060 1.00 0.00 O ATOM 123 CB LEU A 12 -9.427 -6.303 -1.855 1.00 0.00 C ATOM 124 CG LEU A 12 -8.133 -6.391 -1.044 1.00 0.00 C ATOM 125 CD1 LEU A 12 -8.347 -5.892 0.387 1.00 0.00 C ATOM 126 CD2 LEU A 12 -7.561 -7.810 -1.076 1.00 0.00 C ATOM 0 H LEU A 12 -10.691 -5.556 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.205 -6.140 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.951 -5.391 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.066 -7.140 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.395 -5.736 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.412 -5.965 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.675 -4.853 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.107 -6.502 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.641 -7.845 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.287 -8.504 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.347 -8.093 -2.107 1.00 0.00 H new ATOM 138 N PHE A 13 -8.604 -8.315 -4.534 1.00 0.00 N ATOM 139 CA PHE A 13 -8.800 -9.600 -5.184 1.00 0.00 C ATOM 140 C PHE A 13 -7.873 -10.662 -4.589 1.00 0.00 C ATOM 141 O PHE A 13 -8.290 -11.797 -4.360 1.00 0.00 O ATOM 142 CB PHE A 13 -8.455 -9.411 -6.663 1.00 0.00 C ATOM 143 CG PHE A 13 -9.409 -10.126 -7.621 1.00 0.00 C ATOM 144 CD1 PHE A 13 -10.674 -9.658 -7.797 1.00 0.00 C ATOM 145 CD2 PHE A 13 -8.993 -11.231 -8.296 1.00 0.00 C ATOM 146 CE1 PHE A 13 -11.559 -10.322 -8.687 1.00 0.00 C ATOM 147 CE2 PHE A 13 -9.878 -11.895 -9.186 1.00 0.00 C ATOM 148 CZ PHE A 13 -11.143 -11.426 -9.362 1.00 0.00 C ATOM 0 H PHE A 13 -7.636 -7.994 -4.506 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.828 -9.934 -5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.457 -8.345 -6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.442 -9.773 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -11.005 -8.782 -7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.989 -11.604 -8.155 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.563 -9.950 -8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -9.547 -12.772 -9.723 1.00 0.00 H new ATOM 0 HZ PHE A 13 -11.817 -11.931 -10.038 1.00 0.00 H new ATOM 158 N LYS A 14 -6.634 -10.257 -4.355 1.00 0.00 N ATOM 159 CA LYS A 14 -5.645 -11.160 -3.791 1.00 0.00 C ATOM 160 C LYS A 14 -5.814 -11.209 -2.271 1.00 0.00 C ATOM 161 O LYS A 14 -5.978 -10.174 -1.627 1.00 0.00 O ATOM 162 CB LYS A 14 -4.238 -10.761 -4.240 1.00 0.00 C ATOM 163 CG LYS A 14 -3.560 -11.905 -4.997 1.00 0.00 C ATOM 164 CD LYS A 14 -4.185 -12.093 -6.381 1.00 0.00 C ATOM 165 CE LYS A 14 -3.865 -13.479 -6.943 1.00 0.00 C ATOM 166 NZ LYS A 14 -2.930 -13.372 -8.085 1.00 0.00 N ATOM 0 H LYS A 14 -6.292 -9.315 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.798 -12.173 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.292 -9.879 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.638 -10.489 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.495 -11.697 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.650 -12.828 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.265 -11.963 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.812 -11.326 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.426 -14.102 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.784 -13.969 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.723 -14.322 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.362 -12.795 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.046 -12.924 -7.769 1.00 0.00 H new ATOM 180 N LYS A 15 -5.769 -12.423 -1.742 1.00 0.00 N ATOM 181 CA LYS A 15 -5.916 -12.621 -0.310 1.00 0.00 C ATOM 182 C LYS A 15 -4.963 -13.727 0.148 1.00 0.00 C ATOM 183 O LYS A 15 -4.710 -14.678 -0.591 1.00 0.00 O ATOM 184 CB LYS A 15 -7.380 -12.884 0.048 1.00 0.00 C ATOM 185 CG LYS A 15 -7.659 -12.531 1.510 1.00 0.00 C ATOM 186 CD LYS A 15 -8.782 -11.498 1.621 1.00 0.00 C ATOM 187 CE LYS A 15 -10.134 -12.179 1.839 1.00 0.00 C ATOM 188 NZ LYS A 15 -11.147 -11.632 0.908 1.00 0.00 N ATOM 0 H LYS A 15 -5.633 -13.279 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.638 -11.716 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.028 -12.296 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.618 -13.933 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.933 -13.432 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.753 -12.139 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.576 -10.819 2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.817 -10.895 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.035 -13.254 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.460 -12.031 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.059 -12.105 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.253 -10.611 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.841 -11.795 -0.073 1.00 0.00 H new ATOM 202 N ALA A 16 -4.461 -13.567 1.363 1.00 0.00 N ATOM 203 CA ALA A 16 -3.542 -14.540 1.928 1.00 0.00 C ATOM 204 C ALA A 16 -3.782 -14.647 3.435 1.00 0.00 C ATOM 205 O ALA A 16 -3.495 -13.713 4.181 1.00 0.00 O ATOM 206 CB ALA A 16 -2.104 -14.139 1.594 1.00 0.00 C ATOM 0 H ALA A 16 -4.673 -12.777 1.973 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.714 -15.526 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.415 -14.869 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.977 -14.106 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.894 -13.155 2.014 1.00 0.00 H new ATOM 212 N ASN A 17 -4.307 -15.795 3.839 1.00 0.00 N ATOM 213 CA ASN A 17 -4.589 -16.037 5.243 1.00 0.00 C ATOM 214 C ASN A 17 -3.272 -16.228 5.998 1.00 0.00 C ATOM 215 O ASN A 17 -2.706 -17.320 5.999 1.00 0.00 O ATOM 216 CB ASN A 17 -5.427 -17.303 5.427 1.00 0.00 C ATOM 217 CG ASN A 17 -4.802 -18.487 4.685 1.00 0.00 C ATOM 218 OD1 ASN A 17 -4.680 -18.497 3.472 1.00 0.00 O ATOM 219 ND2 ASN A 17 -4.416 -19.480 5.481 1.00 0.00 N ATOM 0 H ASN A 17 -4.544 -16.568 3.217 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.142 -15.180 5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.510 -17.537 6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.438 -17.131 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.988 -20.316 5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.548 -19.406 6.490 1.00 0.00 H new ATOM 226 N ALA A 18 -2.822 -15.149 6.622 1.00 0.00 N ATOM 227 CA ALA A 18 -1.582 -15.185 7.378 1.00 0.00 C ATOM 228 C ALA A 18 -1.887 -14.951 8.860 1.00 0.00 C ATOM 229 O ALA A 18 -2.201 -13.833 9.263 1.00 0.00 O ATOM 230 CB ALA A 18 -0.609 -14.148 6.813 1.00 0.00 C ATOM 0 H ALA A 18 -3.294 -14.245 6.619 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.106 -16.162 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.321 -14.175 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.403 -14.374 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.051 -13.155 6.889 1.00 0.00 H new ATOM 236 N MET A 19 -1.782 -16.025 9.629 1.00 0.00 N ATOM 237 CA MET A 19 -2.043 -15.951 11.056 1.00 0.00 C ATOM 238 C MET A 19 -0.999 -16.744 11.846 1.00 0.00 C ATOM 239 O MET A 19 -0.466 -17.738 11.354 1.00 0.00 O ATOM 240 CB MET A 19 -3.437 -16.509 11.350 1.00 0.00 C ATOM 241 CG MET A 19 -3.814 -16.295 12.818 1.00 0.00 C ATOM 242 SD MET A 19 -4.141 -14.566 13.118 1.00 0.00 S ATOM 243 CE MET A 19 -3.732 -14.470 14.853 1.00 0.00 C ATOM 0 H MET A 19 -1.520 -16.951 9.291 1.00 0.00 H new ATOM 0 HA MET A 19 -1.988 -14.906 11.363 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.171 -16.022 10.708 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.464 -17.573 11.115 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.694 -16.888 13.066 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.005 -16.638 13.463 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.881 -13.450 15.206 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.375 -15.147 15.416 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.690 -14.755 14.997 1.00 0.00 H new ATOM 253 N LEU A 20 -0.738 -16.274 13.057 1.00 0.00 N ATOM 254 CA LEU A 20 0.233 -16.927 13.919 1.00 0.00 C ATOM 255 C LEU A 20 1.611 -16.878 13.257 1.00 0.00 C ATOM 256 O LEU A 20 1.801 -17.420 12.169 1.00 0.00 O ATOM 257 CB LEU A 20 -0.230 -18.342 14.272 1.00 0.00 C ATOM 258 CG LEU A 20 0.853 -19.293 14.784 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.376 -20.050 16.025 1.00 0.00 C ATOM 260 CD2 LEU A 20 1.317 -20.242 13.677 1.00 0.00 C ATOM 0 H LEU A 20 -1.182 -15.449 13.462 1.00 0.00 H new ATOM 0 HA LEU A 20 0.316 -16.398 14.868 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.010 -18.269 15.030 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.686 -18.785 13.387 1.00 0.00 H new ATOM 0 HG LEU A 20 1.717 -18.699 15.082 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.165 -20.719 16.369 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.134 -19.339 16.815 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.511 -20.632 15.777 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.087 -20.907 14.067 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.471 -20.833 13.326 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.724 -19.663 12.848 1.00 0.00 H new ATOM 272 N ASP A 21 2.538 -16.222 13.940 1.00 0.00 N ATOM 273 CA ASP A 21 3.893 -16.095 13.432 1.00 0.00 C ATOM 274 C ASP A 21 4.870 -16.027 14.608 1.00 0.00 C ATOM 275 O ASP A 21 4.920 -15.025 15.320 1.00 0.00 O ATOM 276 CB ASP A 21 4.055 -14.816 12.608 1.00 0.00 C ATOM 277 CG ASP A 21 5.210 -14.835 11.605 1.00 0.00 C ATOM 278 OD1 ASP A 21 5.884 -15.886 11.535 1.00 0.00 O ATOM 279 OD2 ASP A 21 5.392 -13.799 10.930 1.00 0.00 O ATOM 0 H ASP A 21 2.377 -15.773 14.841 1.00 0.00 H new ATOM 0 HA ASP A 21 4.098 -16.959 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.127 -14.630 12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.200 -13.978 13.290 1.00 0.00 H new ATOM 284 N GLU A 22 5.622 -17.105 14.775 1.00 0.00 N ATOM 285 CA GLU A 22 6.594 -17.179 15.852 1.00 0.00 C ATOM 286 C GLU A 22 8.014 -17.063 15.294 1.00 0.00 C ATOM 287 O GLU A 22 8.825 -17.973 15.456 1.00 0.00 O ATOM 288 CB GLU A 22 6.425 -18.471 16.655 1.00 0.00 C ATOM 289 CG GLU A 22 6.654 -19.699 15.772 1.00 0.00 C ATOM 290 CD GLU A 22 5.324 -20.316 15.334 1.00 0.00 C ATOM 291 OE1 GLU A 22 4.668 -20.927 16.205 1.00 0.00 O ATOM 292 OE2 GLU A 22 4.993 -20.162 14.139 1.00 0.00 O ATOM 0 H GLU A 22 5.578 -17.934 14.183 1.00 0.00 H new ATOM 0 HA GLU A 22 6.421 -16.343 16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.129 -18.481 17.487 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.424 -18.509 17.084 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.235 -19.417 14.894 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.240 -20.439 16.317 1.00 0.00 H new ATOM 299 N ASP A 23 8.271 -15.934 14.649 1.00 0.00 N ATOM 300 CA ASP A 23 9.579 -15.686 14.067 1.00 0.00 C ATOM 301 C ASP A 23 9.889 -14.190 14.137 1.00 0.00 C ATOM 302 O ASP A 23 9.061 -13.362 13.760 1.00 0.00 O ATOM 303 CB ASP A 23 9.616 -16.108 12.596 1.00 0.00 C ATOM 304 CG ASP A 23 11.005 -16.456 12.058 1.00 0.00 C ATOM 305 OD1 ASP A 23 11.918 -16.604 12.898 1.00 0.00 O ATOM 306 OD2 ASP A 23 11.122 -16.566 10.818 1.00 0.00 O ATOM 0 H ASP A 23 7.596 -15.181 14.517 1.00 0.00 H new ATOM 0 HA ASP A 23 10.313 -16.265 14.628 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.965 -16.972 12.465 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.200 -15.302 11.992 1.00 0.00 H new ATOM 311 N GLU A 24 11.084 -13.888 14.624 1.00 0.00 N ATOM 312 CA GLU A 24 11.513 -12.506 14.749 1.00 0.00 C ATOM 313 C GLU A 24 12.520 -12.161 13.649 1.00 0.00 C ATOM 314 O GLU A 24 13.386 -12.970 13.320 1.00 0.00 O ATOM 315 CB GLU A 24 12.103 -12.238 16.135 1.00 0.00 C ATOM 316 CG GLU A 24 11.170 -11.355 16.966 1.00 0.00 C ATOM 317 CD GLU A 24 11.880 -10.832 18.216 1.00 0.00 C ATOM 318 OE1 GLU A 24 12.553 -9.786 18.091 1.00 0.00 O ATOM 319 OE2 GLU A 24 11.733 -11.489 19.270 1.00 0.00 O ATOM 0 H GLU A 24 11.768 -14.577 14.937 1.00 0.00 H new ATOM 0 HA GLU A 24 10.640 -11.863 14.631 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.271 -13.183 16.652 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.074 -11.753 16.033 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.824 -10.516 16.362 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.287 -11.925 17.256 1.00 0.00 H new ATOM 326 N ASP A 25 12.372 -10.959 13.111 1.00 0.00 N ATOM 327 CA ASP A 25 13.257 -10.498 12.055 1.00 0.00 C ATOM 328 C ASP A 25 13.164 -8.974 11.948 1.00 0.00 C ATOM 329 O ASP A 25 12.085 -8.403 12.093 1.00 0.00 O ATOM 330 CB ASP A 25 12.859 -11.092 10.703 1.00 0.00 C ATOM 331 CG ASP A 25 12.393 -12.549 10.749 1.00 0.00 C ATOM 332 OD1 ASP A 25 13.281 -13.428 10.781 1.00 0.00 O ATOM 333 OD2 ASP A 25 11.159 -12.750 10.752 1.00 0.00 O ATOM 0 H ASP A 25 11.653 -10.291 13.387 1.00 0.00 H new ATOM 0 HA ASP A 25 14.270 -10.814 12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.061 -10.484 10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.711 -11.020 10.026 1.00 0.00 H new ATOM 338 N GLU A 26 14.310 -8.360 11.694 1.00 0.00 N ATOM 339 CA GLU A 26 14.372 -6.914 11.565 1.00 0.00 C ATOM 340 C GLU A 26 14.640 -6.522 10.111 1.00 0.00 C ATOM 341 O GLU A 26 15.770 -6.193 9.751 1.00 0.00 O ATOM 342 CB GLU A 26 15.434 -6.325 12.496 1.00 0.00 C ATOM 343 CG GLU A 26 14.970 -4.990 13.082 1.00 0.00 C ATOM 344 CD GLU A 26 15.909 -3.855 12.671 1.00 0.00 C ATOM 345 OE1 GLU A 26 16.083 -3.677 11.446 1.00 0.00 O ATOM 346 OE2 GLU A 26 16.433 -3.191 13.591 1.00 0.00 O ATOM 0 H GLU A 26 15.203 -8.838 11.574 1.00 0.00 H new ATOM 0 HA GLU A 26 13.408 -6.501 11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 26 15.645 -7.027 13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.365 -6.181 11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.958 -4.771 12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.932 -5.060 14.169 1.00 0.00 H new ATOM 353 N ARG A 27 13.583 -6.569 9.314 1.00 0.00 N ATOM 354 CA ARG A 27 13.690 -6.223 7.907 1.00 0.00 C ATOM 355 C ARG A 27 12.324 -6.338 7.226 1.00 0.00 C ATOM 356 O ARG A 27 11.523 -7.203 7.577 1.00 0.00 O ATOM 357 CB ARG A 27 14.687 -7.135 7.189 1.00 0.00 C ATOM 358 CG ARG A 27 15.673 -6.317 6.352 1.00 0.00 C ATOM 359 CD ARG A 27 16.127 -7.101 5.119 1.00 0.00 C ATOM 360 NE ARG A 27 17.201 -6.364 4.417 1.00 0.00 N ATOM 361 CZ ARG A 27 17.575 -6.604 3.153 1.00 0.00 C ATOM 362 NH1 ARG A 27 16.965 -7.564 2.445 1.00 0.00 N ATOM 363 NH2 ARG A 27 18.560 -5.885 2.598 1.00 0.00 N ATOM 0 H ARG A 27 12.648 -6.842 9.616 1.00 0.00 H new ATOM 0 HA ARG A 27 14.046 -5.195 7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.232 -7.731 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.150 -7.833 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.205 -5.383 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.539 -6.053 6.959 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.485 -8.086 5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.283 -7.258 4.447 1.00 0.00 H new ATOM 0 HE ARG A 27 17.687 -5.627 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.216 -8.112 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.250 -7.747 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.025 -5.155 3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.845 -6.068 1.636 1.00 0.00 H new ATOM 377 N VAL A 28 12.101 -5.453 6.266 1.00 0.00 N ATOM 378 CA VAL A 28 10.846 -5.444 5.533 1.00 0.00 C ATOM 379 C VAL A 28 10.645 -6.802 4.859 1.00 0.00 C ATOM 380 O VAL A 28 11.564 -7.618 4.811 1.00 0.00 O ATOM 381 CB VAL A 28 10.825 -4.277 4.545 1.00 0.00 C ATOM 382 CG1 VAL A 28 9.477 -4.190 3.826 1.00 0.00 C ATOM 383 CG2 VAL A 28 11.158 -2.958 5.246 1.00 0.00 C ATOM 0 H VAL A 28 12.768 -4.737 5.978 1.00 0.00 H new ATOM 0 HA VAL A 28 10.008 -5.291 6.213 1.00 0.00 H new ATOM 0 HB VAL A 28 11.594 -4.461 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.490 -3.352 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.297 -5.115 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.683 -4.042 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.136 -2.145 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.424 -2.766 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.152 -3.022 5.689 1.00 0.00 H new ATOM 393 N ASP A 29 9.436 -7.003 4.353 1.00 0.00 N ATOM 394 CA ASP A 29 9.103 -8.249 3.684 1.00 0.00 C ATOM 395 C ASP A 29 9.372 -8.104 2.184 1.00 0.00 C ATOM 396 O ASP A 29 8.848 -7.196 1.541 1.00 0.00 O ATOM 397 CB ASP A 29 7.624 -8.594 3.868 1.00 0.00 C ATOM 398 CG ASP A 29 7.325 -10.084 4.045 1.00 0.00 C ATOM 399 OD1 ASP A 29 8.266 -10.810 4.432 1.00 0.00 O ATOM 400 OD2 ASP A 29 6.162 -10.464 3.789 1.00 0.00 O ATOM 0 H ASP A 29 8.676 -6.324 4.393 1.00 0.00 H new ATOM 0 HA ASP A 29 9.714 -9.040 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.247 -8.057 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.071 -8.228 3.003 1.00 0.00 H new ATOM 405 N GLU A 30 10.188 -9.013 1.672 1.00 0.00 N ATOM 406 CA GLU A 30 10.533 -8.998 0.260 1.00 0.00 C ATOM 407 C GLU A 30 9.364 -9.522 -0.577 1.00 0.00 C ATOM 408 O GLU A 30 9.166 -9.089 -1.712 1.00 0.00 O ATOM 409 CB GLU A 30 11.803 -9.810 -0.003 1.00 0.00 C ATOM 410 CG GLU A 30 11.672 -11.229 0.556 1.00 0.00 C ATOM 411 CD GLU A 30 12.068 -12.270 -0.493 1.00 0.00 C ATOM 412 OE1 GLU A 30 13.271 -12.604 -0.535 1.00 0.00 O ATOM 413 OE2 GLU A 30 11.158 -12.707 -1.230 1.00 0.00 O ATOM 0 H GLU A 30 10.620 -9.765 2.209 1.00 0.00 H new ATOM 0 HA GLU A 30 10.733 -7.968 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.995 -9.854 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.658 -9.313 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.305 -11.336 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.645 -11.404 0.878 1.00 0.00 H new ATOM 420 N ALA A 31 8.621 -10.445 0.015 1.00 0.00 N ATOM 421 CA ALA A 31 7.477 -11.032 -0.663 1.00 0.00 C ATOM 422 C ALA A 31 6.543 -9.916 -1.136 1.00 0.00 C ATOM 423 O ALA A 31 6.217 -9.835 -2.320 1.00 0.00 O ATOM 424 CB ALA A 31 6.778 -12.018 0.276 1.00 0.00 C ATOM 0 H ALA A 31 8.788 -10.801 0.956 1.00 0.00 H new ATOM 0 HA ALA A 31 7.797 -11.590 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.920 -12.458 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.475 -12.806 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.440 -11.493 1.169 1.00 0.00 H new ATOM 430 N ALA A 32 6.138 -9.084 -0.188 1.00 0.00 N ATOM 431 CA ALA A 32 5.248 -7.977 -0.494 1.00 0.00 C ATOM 432 C ALA A 32 5.947 -7.017 -1.458 1.00 0.00 C ATOM 433 O ALA A 32 5.432 -6.730 -2.537 1.00 0.00 O ATOM 434 CB ALA A 32 4.821 -7.291 0.806 1.00 0.00 C ATOM 0 H ALA A 32 6.410 -9.154 0.793 1.00 0.00 H new ATOM 0 HA ALA A 32 4.344 -8.336 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.153 -6.460 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.303 -8.008 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.702 -6.915 1.326 1.00 0.00 H new ATOM 440 N LEU A 33 7.111 -6.547 -1.034 1.00 0.00 N ATOM 441 CA LEU A 33 7.887 -5.625 -1.846 1.00 0.00 C ATOM 442 C LEU A 33 7.856 -6.087 -3.304 1.00 0.00 C ATOM 443 O LEU A 33 7.657 -5.280 -4.211 1.00 0.00 O ATOM 444 CB LEU A 33 9.300 -5.471 -1.280 1.00 0.00 C ATOM 445 CG LEU A 33 10.224 -4.514 -2.035 1.00 0.00 C ATOM 446 CD1 LEU A 33 9.757 -3.065 -1.881 1.00 0.00 C ATOM 447 CD2 LEU A 33 11.679 -4.696 -1.598 1.00 0.00 C ATOM 0 H LEU A 33 7.536 -6.788 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 33 7.447 -4.628 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.221 -5.130 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.770 -6.454 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 33 10.174 -4.758 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.431 -2.405 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.748 -2.964 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.759 -2.792 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.314 -4.004 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.766 -4.495 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.995 -5.719 -1.802 1.00 0.00 H new ATOM 459 N ARG A 34 8.056 -7.384 -3.485 1.00 0.00 N ATOM 460 CA ARG A 34 8.053 -7.963 -4.818 1.00 0.00 C ATOM 461 C ARG A 34 6.763 -7.596 -5.554 1.00 0.00 C ATOM 462 O ARG A 34 6.803 -7.157 -6.702 1.00 0.00 O ATOM 463 CB ARG A 34 8.182 -9.486 -4.757 1.00 0.00 C ATOM 464 CG ARG A 34 9.242 -9.987 -5.740 1.00 0.00 C ATOM 465 CD ARG A 34 10.435 -10.593 -4.997 1.00 0.00 C ATOM 466 NE ARG A 34 10.951 -11.764 -5.740 1.00 0.00 N ATOM 467 CZ ARG A 34 12.034 -12.466 -5.379 1.00 0.00 C ATOM 468 NH1 ARG A 34 12.721 -12.119 -4.282 1.00 0.00 N ATOM 469 NH2 ARG A 34 12.430 -13.514 -6.114 1.00 0.00 N ATOM 0 H ARG A 34 8.221 -8.051 -2.731 1.00 0.00 H new ATOM 0 HA ARG A 34 8.910 -7.558 -5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.446 -9.792 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.221 -9.945 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.805 -10.733 -6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.580 -9.162 -6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.222 -9.847 -4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.135 -10.892 -3.993 1.00 0.00 H new ATOM 0 HE ARG A 34 10.451 -12.055 -6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.419 -11.321 -3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.545 -12.653 -4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.907 -13.778 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.254 -14.048 -5.839 1.00 0.00 H new ATOM 483 N GLN A 35 5.650 -7.789 -4.862 1.00 0.00 N ATOM 484 CA GLN A 35 4.350 -7.483 -5.435 1.00 0.00 C ATOM 485 C GLN A 35 4.330 -6.051 -5.972 1.00 0.00 C ATOM 486 O GLN A 35 4.022 -5.827 -7.142 1.00 0.00 O ATOM 487 CB GLN A 35 3.234 -7.701 -4.411 1.00 0.00 C ATOM 488 CG GLN A 35 3.330 -9.092 -3.783 1.00 0.00 C ATOM 489 CD GLN A 35 1.985 -9.819 -3.852 1.00 0.00 C ATOM 490 OE1 GLN A 35 1.567 -10.294 -2.682 1.00 0.00 O flip ATOM 491 NE2 GLN A 35 1.369 -9.940 -4.897 1.00 0.00 N flip ATOM 0 H GLN A 35 5.621 -8.153 -3.910 1.00 0.00 H new ATOM 0 HA GLN A 35 4.172 -8.164 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.297 -6.941 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.264 -7.582 -4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.090 -9.677 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.647 -9.005 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.748 -9.551 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.475 -10.431 -4.908 1.00 0.00 H new ATOM 500 N LEU A 36 4.663 -5.118 -5.092 1.00 0.00 N ATOM 501 CA LEU A 36 4.687 -3.713 -5.463 1.00 0.00 C ATOM 502 C LEU A 36 5.663 -3.514 -6.624 1.00 0.00 C ATOM 503 O LEU A 36 5.263 -3.102 -7.712 1.00 0.00 O ATOM 504 CB LEU A 36 4.996 -2.843 -4.243 1.00 0.00 C ATOM 505 CG LEU A 36 3.913 -2.791 -3.164 1.00 0.00 C ATOM 506 CD1 LEU A 36 4.530 -2.607 -1.776 1.00 0.00 C ATOM 507 CD2 LEU A 36 2.876 -1.710 -3.478 1.00 0.00 C ATOM 0 H LEU A 36 4.918 -5.308 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 36 3.705 -3.394 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.918 -3.205 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.188 -1.826 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 36 3.390 -3.747 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.738 -2.573 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.197 -3.442 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.094 -1.675 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.118 -1.695 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.367 -0.738 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.404 -1.926 -4.436 1.00 0.00 H new ATOM 519 N THR A 37 6.924 -3.815 -6.354 1.00 0.00 N ATOM 520 CA THR A 37 7.960 -3.674 -7.362 1.00 0.00 C ATOM 521 C THR A 37 7.496 -4.273 -8.691 1.00 0.00 C ATOM 522 O THR A 37 7.903 -3.816 -9.758 1.00 0.00 O ATOM 523 CB THR A 37 9.239 -4.316 -6.821 1.00 0.00 C ATOM 524 OG1 THR A 37 8.804 -5.568 -6.298 1.00 0.00 O ATOM 525 CG2 THR A 37 9.795 -3.577 -5.602 1.00 0.00 C ATOM 0 H THR A 37 7.252 -4.156 -5.451 1.00 0.00 H new ATOM 0 HA THR A 37 8.169 -2.624 -7.569 1.00 0.00 H new ATOM 0 HB THR A 37 9.994 -4.339 -7.607 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.590 -5.469 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.702 -4.074 -5.258 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.026 -2.547 -5.875 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.053 -3.583 -4.803 1.00 0.00 H new ATOM 533 N GLU A 38 6.649 -5.286 -8.583 1.00 0.00 N ATOM 534 CA GLU A 38 6.125 -5.952 -9.763 1.00 0.00 C ATOM 535 C GLU A 38 5.083 -5.069 -10.453 1.00 0.00 C ATOM 536 O GLU A 38 5.012 -5.028 -11.680 1.00 0.00 O ATOM 537 CB GLU A 38 5.535 -7.318 -9.406 1.00 0.00 C ATOM 538 CG GLU A 38 6.561 -8.432 -9.622 1.00 0.00 C ATOM 539 CD GLU A 38 6.303 -9.168 -10.938 1.00 0.00 C ATOM 540 OE1 GLU A 38 6.445 -8.512 -11.992 1.00 0.00 O ATOM 541 OE2 GLU A 38 5.968 -10.369 -10.860 1.00 0.00 O ATOM 0 H GLU A 38 6.313 -5.662 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 38 6.949 -6.119 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.208 -7.316 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.653 -7.508 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.566 -8.009 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.517 -9.137 -8.792 1.00 0.00 H new ATOM 548 N MET A 39 4.300 -4.383 -9.633 1.00 0.00 N ATOM 549 CA MET A 39 3.265 -3.503 -10.148 1.00 0.00 C ATOM 550 C MET A 39 3.873 -2.359 -10.963 1.00 0.00 C ATOM 551 O MET A 39 3.455 -2.106 -12.092 1.00 0.00 O ATOM 552 CB MET A 39 2.458 -2.926 -8.983 1.00 0.00 C ATOM 553 CG MET A 39 1.337 -3.881 -8.567 1.00 0.00 C ATOM 554 SD MET A 39 1.385 -4.146 -6.802 1.00 0.00 S ATOM 555 CE MET A 39 0.204 -2.916 -6.272 1.00 0.00 C ATOM 0 H MET A 39 4.362 -4.419 -8.616 1.00 0.00 H new ATOM 0 HA MET A 39 2.613 -4.084 -10.801 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.117 -2.742 -8.135 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.033 -1.964 -9.271 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.370 -3.468 -8.855 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.445 -4.832 -9.089 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.499 -2.524 -5.299 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.175 -2.103 -6.997 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.784 -3.370 -6.196 1.00 0.00 H new ATOM 565 N GLY A 40 4.851 -1.700 -10.359 1.00 0.00 N ATOM 566 CA GLY A 40 5.521 -0.590 -11.015 1.00 0.00 C ATOM 567 C GLY A 40 5.837 0.526 -10.017 1.00 0.00 C ATOM 568 O GLY A 40 5.482 1.683 -10.241 1.00 0.00 O ATOM 0 H GLY A 40 5.195 -1.913 -9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.443 -0.940 -11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.890 -0.201 -11.814 1.00 0.00 H new ATOM 572 N PHE A 41 6.501 0.140 -8.938 1.00 0.00 N ATOM 573 CA PHE A 41 6.869 1.094 -7.905 1.00 0.00 C ATOM 574 C PHE A 41 8.351 0.968 -7.546 1.00 0.00 C ATOM 575 O PHE A 41 8.941 -0.101 -7.693 1.00 0.00 O ATOM 576 CB PHE A 41 6.028 0.764 -6.671 1.00 0.00 C ATOM 577 CG PHE A 41 4.544 1.105 -6.820 1.00 0.00 C ATOM 578 CD1 PHE A 41 4.168 2.359 -7.189 1.00 0.00 C ATOM 579 CD2 PHE A 41 3.600 0.155 -6.583 1.00 0.00 C ATOM 580 CE1 PHE A 41 2.791 2.676 -7.328 1.00 0.00 C ATOM 581 CE2 PHE A 41 2.223 0.471 -6.721 1.00 0.00 C ATOM 582 CZ PHE A 41 1.847 1.725 -7.091 1.00 0.00 C ATOM 0 H PHE A 41 6.794 -0.820 -8.756 1.00 0.00 H new ATOM 0 HA PHE A 41 6.693 2.110 -8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.126 -0.299 -6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.430 1.305 -5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.917 3.114 -7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.898 -0.841 -6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.493 3.672 -7.622 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.474 -0.284 -6.532 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.799 1.966 -7.197 1.00 0.00 H new ATOM 592 N PRO A 42 8.925 2.105 -7.068 1.00 0.00 N ATOM 593 CA PRO A 42 10.327 2.132 -6.687 1.00 0.00 C ATOM 594 C PRO A 42 10.546 1.420 -5.351 1.00 0.00 C ATOM 595 O PRO A 42 9.945 1.787 -4.342 1.00 0.00 O ATOM 596 CB PRO A 42 10.694 3.607 -6.641 1.00 0.00 C ATOM 597 CG PRO A 42 9.377 4.361 -6.542 1.00 0.00 C ATOM 598 CD PRO A 42 8.258 3.390 -6.880 1.00 0.00 C ATOM 0 HA PRO A 42 10.965 1.598 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.334 3.824 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.246 3.900 -7.534 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.242 4.764 -5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.369 5.207 -7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.522 3.340 -6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.727 3.696 -7.781 1.00 0.00 H new ATOM 606 N GLU A 43 11.407 0.414 -5.387 1.00 0.00 N ATOM 607 CA GLU A 43 11.713 -0.353 -4.191 1.00 0.00 C ATOM 608 C GLU A 43 11.909 0.582 -2.996 1.00 0.00 C ATOM 609 O GLU A 43 11.287 0.399 -1.951 1.00 0.00 O ATOM 610 CB GLU A 43 12.944 -1.236 -4.405 1.00 0.00 C ATOM 611 CG GLU A 43 12.745 -2.616 -3.777 1.00 0.00 C ATOM 612 CD GLU A 43 13.996 -3.056 -3.013 1.00 0.00 C ATOM 613 OE1 GLU A 43 14.486 -2.236 -2.206 1.00 0.00 O ATOM 614 OE2 GLU A 43 14.434 -4.202 -3.254 1.00 0.00 O ATOM 0 H GLU A 43 11.903 0.112 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 43 10.869 -1.009 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 43 13.138 -1.343 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.820 -0.757 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.891 -2.592 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.515 -3.344 -4.555 1.00 0.00 H new ATOM 621 N ASN A 44 12.777 1.564 -3.191 1.00 0.00 N ATOM 622 CA ASN A 44 13.064 2.528 -2.142 1.00 0.00 C ATOM 623 C ASN A 44 11.762 2.903 -1.430 1.00 0.00 C ATOM 624 O ASN A 44 11.571 2.568 -0.262 1.00 0.00 O ATOM 625 CB ASN A 44 13.671 3.807 -2.721 1.00 0.00 C ATOM 626 CG ASN A 44 13.169 4.057 -4.144 1.00 0.00 C ATOM 627 OD1 ASN A 44 13.325 3.241 -5.038 1.00 0.00 O ATOM 628 ND2 ASN A 44 12.559 5.228 -4.305 1.00 0.00 N ATOM 0 H ASN A 44 13.291 1.713 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 44 13.773 2.073 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.414 4.655 -2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.758 3.729 -2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.188 5.489 -5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.462 5.865 -3.515 1.00 0.00 H new ATOM 635 N ARG A 45 10.901 3.592 -2.164 1.00 0.00 N ATOM 636 CA ARG A 45 9.623 4.016 -1.618 1.00 0.00 C ATOM 637 C ARG A 45 8.805 2.800 -1.177 1.00 0.00 C ATOM 638 O ARG A 45 8.361 2.728 -0.032 1.00 0.00 O ATOM 639 CB ARG A 45 8.822 4.815 -2.647 1.00 0.00 C ATOM 640 CG ARG A 45 9.339 6.252 -2.749 1.00 0.00 C ATOM 641 CD ARG A 45 8.625 7.013 -3.867 1.00 0.00 C ATOM 642 NE ARG A 45 9.518 8.056 -4.420 1.00 0.00 N ATOM 643 CZ ARG A 45 9.338 8.645 -5.610 1.00 0.00 C ATOM 644 NH1 ARG A 45 8.298 8.298 -6.379 1.00 0.00 N ATOM 645 NH2 ARG A 45 10.199 9.582 -6.031 1.00 0.00 N ATOM 0 H ARG A 45 11.063 3.867 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 45 9.825 4.654 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.889 4.331 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.769 4.823 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.186 6.765 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.412 6.244 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.327 6.322 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.713 7.470 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 45 10.320 8.344 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.642 7.585 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.161 8.747 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.991 9.847 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.062 10.030 -6.937 1.00 0.00 H new ATOM 659 N ALA A 46 8.630 1.875 -2.109 1.00 0.00 N ATOM 660 CA ALA A 46 7.873 0.666 -1.831 1.00 0.00 C ATOM 661 C ALA A 46 8.227 0.159 -0.432 1.00 0.00 C ATOM 662 O ALA A 46 7.342 -0.185 0.350 1.00 0.00 O ATOM 663 CB ALA A 46 8.156 -0.374 -2.917 1.00 0.00 C ATOM 0 H ALA A 46 8.999 1.938 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 46 6.803 0.871 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.588 -1.281 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.861 0.024 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.221 -0.607 -2.929 1.00 0.00 H new ATOM 669 N THR A 47 9.523 0.128 -0.158 1.00 0.00 N ATOM 670 CA THR A 47 10.004 -0.332 1.133 1.00 0.00 C ATOM 671 C THR A 47 9.421 0.528 2.257 1.00 0.00 C ATOM 672 O THR A 47 8.641 0.041 3.074 1.00 0.00 O ATOM 673 CB THR A 47 11.534 -0.326 1.097 1.00 0.00 C ATOM 674 OG1 THR A 47 11.866 -1.470 0.314 1.00 0.00 O ATOM 675 CG2 THR A 47 12.153 -0.619 2.465 1.00 0.00 C ATOM 0 H THR A 47 10.255 0.414 -0.808 1.00 0.00 H new ATOM 0 HA THR A 47 9.672 -1.350 1.338 1.00 0.00 H new ATOM 0 HB THR A 47 11.885 0.642 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.804 -1.244 -0.638 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.240 -0.603 2.384 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.831 0.139 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.829 -1.602 2.808 1.00 0.00 H new ATOM 683 N LYS A 48 9.820 1.791 2.261 1.00 0.00 N ATOM 684 CA LYS A 48 9.346 2.722 3.270 1.00 0.00 C ATOM 685 C LYS A 48 7.829 2.587 3.411 1.00 0.00 C ATOM 686 O LYS A 48 7.323 2.327 4.501 1.00 0.00 O ATOM 687 CB LYS A 48 9.810 4.144 2.947 1.00 0.00 C ATOM 688 CG LYS A 48 8.853 5.181 3.540 1.00 0.00 C ATOM 689 CD LYS A 48 9.394 6.599 3.348 1.00 0.00 C ATOM 690 CE LYS A 48 9.061 7.480 4.553 1.00 0.00 C ATOM 691 NZ LYS A 48 10.152 7.426 5.552 1.00 0.00 N ATOM 0 H LYS A 48 10.466 2.191 1.581 1.00 0.00 H new ATOM 0 HA LYS A 48 9.779 2.483 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.813 4.302 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.869 4.274 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.876 5.093 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.710 4.983 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.474 6.564 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.968 7.036 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.909 8.509 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.127 7.148 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.910 8.030 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.279 6.446 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.035 7.765 5.120 1.00 0.00 H new ATOM 705 N ALA A 49 7.144 2.770 2.291 1.00 0.00 N ATOM 706 CA ALA A 49 5.695 2.671 2.275 1.00 0.00 C ATOM 707 C ALA A 49 5.262 1.443 3.079 1.00 0.00 C ATOM 708 O ALA A 49 4.584 1.571 4.097 1.00 0.00 O ATOM 709 CB ALA A 49 5.202 2.624 0.827 1.00 0.00 C ATOM 0 H ALA A 49 7.567 2.986 1.388 1.00 0.00 H new ATOM 0 HA ALA A 49 5.246 3.546 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.115 2.550 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.509 3.532 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.630 1.757 0.325 1.00 0.00 H new ATOM 715 N LEU A 50 5.672 0.282 2.591 1.00 0.00 N ATOM 716 CA LEU A 50 5.336 -0.968 3.251 1.00 0.00 C ATOM 717 C LEU A 50 5.442 -0.784 4.766 1.00 0.00 C ATOM 718 O LEU A 50 4.458 -0.950 5.486 1.00 0.00 O ATOM 719 CB LEU A 50 6.198 -2.109 2.708 1.00 0.00 C ATOM 720 CG LEU A 50 5.669 -2.813 1.457 1.00 0.00 C ATOM 721 CD1 LEU A 50 6.757 -3.672 0.810 1.00 0.00 C ATOM 722 CD2 LEU A 50 4.411 -3.624 1.774 1.00 0.00 C ATOM 0 H LEU A 50 6.234 0.180 1.746 1.00 0.00 H new ATOM 0 HA LEU A 50 4.305 -1.248 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.190 -1.715 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.319 -2.853 3.495 1.00 0.00 H new ATOM 0 HG LEU A 50 5.386 -2.051 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.355 -4.161 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.598 -3.040 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.094 -4.427 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.056 -4.114 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.644 -4.378 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.636 -2.959 2.154 1.00 0.00 H new ATOM 734 N GLN A 51 6.644 -0.443 5.206 1.00 0.00 N ATOM 735 CA GLN A 51 6.891 -0.235 6.623 1.00 0.00 C ATOM 736 C GLN A 51 5.775 0.611 7.238 1.00 0.00 C ATOM 737 O GLN A 51 5.391 0.398 8.387 1.00 0.00 O ATOM 738 CB GLN A 51 8.259 0.412 6.851 1.00 0.00 C ATOM 739 CG GLN A 51 9.371 -0.413 6.202 1.00 0.00 C ATOM 740 CD GLN A 51 10.474 -0.738 7.212 1.00 0.00 C ATOM 741 OE1 GLN A 51 10.223 -1.141 8.336 1.00 0.00 O ATOM 742 NE2 GLN A 51 11.706 -0.540 6.751 1.00 0.00 N ATOM 0 H GLN A 51 7.458 -0.305 4.606 1.00 0.00 H new ATOM 0 HA GLN A 51 6.898 -1.206 7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.261 1.421 6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.447 0.505 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.956 -1.338 5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.793 0.137 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.846 -0.201 5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.511 -0.727 7.349 1.00 0.00 H new ATOM 751 N LEU A 52 5.285 1.554 6.445 1.00 0.00 N ATOM 752 CA LEU A 52 4.220 2.433 6.897 1.00 0.00 C ATOM 753 C LEU A 52 2.874 1.728 6.722 1.00 0.00 C ATOM 754 O LEU A 52 1.952 1.937 7.509 1.00 0.00 O ATOM 755 CB LEU A 52 4.304 3.785 6.186 1.00 0.00 C ATOM 756 CG LEU A 52 5.525 4.644 6.520 1.00 0.00 C ATOM 757 CD1 LEU A 52 5.755 5.710 5.447 1.00 0.00 C ATOM 758 CD2 LEU A 52 5.402 5.253 7.918 1.00 0.00 C ATOM 0 H LEU A 52 5.606 1.728 5.493 1.00 0.00 H new ATOM 0 HA LEU A 52 4.330 2.650 7.959 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.292 3.609 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.407 4.356 6.426 1.00 0.00 H new ATOM 0 HG LEU A 52 6.404 4.000 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.629 6.307 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.920 5.227 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.880 6.357 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.283 5.859 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.511 5.879 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.324 4.455 8.657 1.00 0.00 H new ATOM 770 N ASN A 53 2.802 0.907 5.684 1.00 0.00 N ATOM 771 CA ASN A 53 1.584 0.170 5.395 1.00 0.00 C ATOM 772 C ASN A 53 1.676 -1.224 6.020 1.00 0.00 C ATOM 773 O ASN A 53 1.237 -2.206 5.423 1.00 0.00 O ATOM 774 CB ASN A 53 1.388 0.000 3.887 1.00 0.00 C ATOM 775 CG ASN A 53 2.299 0.948 3.105 1.00 0.00 C ATOM 776 OD1 ASN A 53 3.005 0.557 2.190 1.00 0.00 O ATOM 777 ND2 ASN A 53 2.244 2.212 3.515 1.00 0.00 N ATOM 0 H ASN A 53 3.568 0.736 5.033 1.00 0.00 H new ATOM 0 HA ASN A 53 0.745 0.730 5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.600 -1.031 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.347 0.194 3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.815 2.922 3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.631 2.471 4.288 1.00 0.00 H new ATOM 784 N HIS A 54 2.248 -1.266 7.214 1.00 0.00 N ATOM 785 CA HIS A 54 2.403 -2.523 7.926 1.00 0.00 C ATOM 786 C HIS A 54 2.759 -3.633 6.936 1.00 0.00 C ATOM 787 O HIS A 54 2.261 -4.752 7.047 1.00 0.00 O ATOM 788 CB HIS A 54 1.152 -2.839 8.748 1.00 0.00 C ATOM 789 CG HIS A 54 1.436 -3.536 10.057 1.00 0.00 C ATOM 790 ND1 HIS A 54 2.026 -4.786 10.128 1.00 0.00 N ATOM 791 CD2 HIS A 54 1.208 -3.144 11.343 1.00 0.00 C ATOM 792 CE1 HIS A 54 2.141 -5.122 11.405 1.00 0.00 C ATOM 793 NE2 HIS A 54 1.633 -4.103 12.156 1.00 0.00 N ATOM 0 H HIS A 54 2.610 -0.449 7.707 1.00 0.00 H new ATOM 0 HA HIS A 54 3.224 -2.443 8.638 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.619 -1.910 8.951 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.487 -3.464 8.152 1.00 0.00 H new ATOM 0 HD1 HIS A 54 2.322 -5.352 9.333 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.758 -2.211 11.648 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.563 -6.041 11.784 1.00 0.00 H new ATOM 801 N MET A 55 3.619 -3.285 5.990 1.00 0.00 N ATOM 802 CA MET A 55 4.048 -4.239 4.981 1.00 0.00 C ATOM 803 C MET A 55 2.848 -4.814 4.225 1.00 0.00 C ATOM 804 O MET A 55 2.718 -6.030 4.093 1.00 0.00 O ATOM 805 CB MET A 55 4.823 -5.376 5.649 1.00 0.00 C ATOM 806 CG MET A 55 6.327 -5.227 5.412 1.00 0.00 C ATOM 807 SD MET A 55 7.186 -5.134 6.974 1.00 0.00 S ATOM 808 CE MET A 55 7.780 -3.452 6.901 1.00 0.00 C ATOM 0 H MET A 55 4.030 -2.356 5.901 1.00 0.00 H new ATOM 0 HA MET A 55 4.689 -3.721 4.268 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.619 -5.380 6.720 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.482 -6.334 5.255 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.698 -6.073 4.834 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.524 -4.330 4.826 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.870 -3.452 6.881 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.400 -2.971 6.000 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.433 -2.905 7.778 1.00 0.00 H new ATOM 818 N SER A 56 2.002 -3.912 3.749 1.00 0.00 N ATOM 819 CA SER A 56 0.817 -4.315 3.010 1.00 0.00 C ATOM 820 C SER A 56 1.061 -4.163 1.507 1.00 0.00 C ATOM 821 O SER A 56 1.632 -3.167 1.065 1.00 0.00 O ATOM 822 CB SER A 56 -0.402 -3.495 3.436 1.00 0.00 C ATOM 823 OG SER A 56 -1.625 -4.128 3.069 1.00 0.00 O ATOM 0 H SER A 56 2.113 -2.904 3.860 1.00 0.00 H new ATOM 0 HA SER A 56 0.613 -5.362 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.380 -3.347 4.516 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.353 -2.507 2.978 1.00 0.00 H new ATOM 0 HG SER A 56 -2.278 -4.023 3.793 1.00 0.00 H new ATOM 829 N VAL A 57 0.617 -5.165 0.764 1.00 0.00 N ATOM 830 CA VAL A 57 0.779 -5.155 -0.680 1.00 0.00 C ATOM 831 C VAL A 57 -0.239 -4.194 -1.297 1.00 0.00 C ATOM 832 O VAL A 57 0.114 -3.363 -2.133 1.00 0.00 O ATOM 833 CB VAL A 57 0.667 -6.579 -1.229 1.00 0.00 C ATOM 834 CG1 VAL A 57 0.032 -6.581 -2.621 1.00 0.00 C ATOM 835 CG2 VAL A 57 2.033 -7.268 -1.249 1.00 0.00 C ATOM 0 H VAL A 57 0.145 -5.990 1.135 1.00 0.00 H new ATOM 0 HA VAL A 57 1.771 -4.794 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 57 0.016 -7.145 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.036 -7.605 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.967 -6.148 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.646 -5.991 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.925 -8.278 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.717 -6.702 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.432 -7.315 -0.236 1.00 0.00 H new ATOM 845 N PRO A 58 -1.515 -4.344 -0.850 1.00 0.00 N ATOM 846 CA PRO A 58 -2.586 -3.499 -1.350 1.00 0.00 C ATOM 847 C PRO A 58 -2.504 -2.095 -0.748 1.00 0.00 C ATOM 848 O PRO A 58 -2.296 -1.119 -1.467 1.00 0.00 O ATOM 849 CB PRO A 58 -3.867 -4.230 -0.980 1.00 0.00 C ATOM 850 CG PRO A 58 -3.485 -5.214 0.113 1.00 0.00 C ATOM 851 CD PRO A 58 -1.969 -5.317 0.138 1.00 0.00 C ATOM 0 HA PRO A 58 -2.529 -3.340 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.627 -3.532 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.284 -4.748 -1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.861 -4.876 1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.931 -6.190 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.573 -5.090 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.636 -6.324 -0.116 1.00 0.00 H new ATOM 859 N GLN A 59 -2.670 -2.038 0.566 1.00 0.00 N ATOM 860 CA GLN A 59 -2.617 -0.770 1.272 1.00 0.00 C ATOM 861 C GLN A 59 -1.470 0.089 0.735 1.00 0.00 C ATOM 862 O GLN A 59 -1.671 1.252 0.388 1.00 0.00 O ATOM 863 CB GLN A 59 -2.478 -0.988 2.780 1.00 0.00 C ATOM 864 CG GLN A 59 -3.757 -0.577 3.513 1.00 0.00 C ATOM 865 CD GLN A 59 -3.432 0.239 4.766 1.00 0.00 C ATOM 866 OE1 GLN A 59 -2.519 1.048 4.793 1.00 0.00 O ATOM 867 NE2 GLN A 59 -4.229 -0.017 5.800 1.00 0.00 N ATOM 0 H GLN A 59 -2.841 -2.850 1.159 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.554 -0.241 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.260 -2.037 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.635 -0.409 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.390 0.009 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.323 -1.466 3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.975 -0.707 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.094 0.477 6.682 1.00 0.00 H new ATOM 876 N ALA A 60 -0.293 -0.517 0.684 1.00 0.00 N ATOM 877 CA ALA A 60 0.886 0.179 0.195 1.00 0.00 C ATOM 878 C ALA A 60 0.518 0.981 -1.055 1.00 0.00 C ATOM 879 O ALA A 60 0.693 2.198 -1.090 1.00 0.00 O ATOM 880 CB ALA A 60 2.002 -0.833 -0.070 1.00 0.00 C ATOM 0 H ALA A 60 -0.130 -1.482 0.973 1.00 0.00 H new ATOM 0 HA ALA A 60 1.254 0.883 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.886 -0.312 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.246 -1.356 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.670 -1.554 -0.817 1.00 0.00 H new ATOM 886 N MET A 61 0.015 0.266 -2.051 1.00 0.00 N ATOM 887 CA MET A 61 -0.380 0.896 -3.300 1.00 0.00 C ATOM 888 C MET A 61 -1.004 2.270 -3.047 1.00 0.00 C ATOM 889 O MET A 61 -0.496 3.283 -3.525 1.00 0.00 O ATOM 890 CB MET A 61 -1.387 0.003 -4.026 1.00 0.00 C ATOM 891 CG MET A 61 -1.250 0.144 -5.544 1.00 0.00 C ATOM 892 SD MET A 61 -2.866 0.199 -6.300 1.00 0.00 S ATOM 893 CE MET A 61 -3.315 -1.526 -6.197 1.00 0.00 C ATOM 0 H MET A 61 -0.128 -0.743 -2.019 1.00 0.00 H new ATOM 0 HA MET A 61 0.510 1.030 -3.916 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.230 -1.037 -3.738 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.400 0.269 -3.722 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.696 1.051 -5.785 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.680 -0.694 -5.945 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.317 -1.617 -5.778 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.297 -1.967 -7.194 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.605 -2.049 -5.556 1.00 0.00 H new ATOM 903 N GLU A 62 -2.096 2.259 -2.298 1.00 0.00 N ATOM 904 CA GLU A 62 -2.795 3.492 -1.976 1.00 0.00 C ATOM 905 C GLU A 62 -1.827 4.508 -1.366 1.00 0.00 C ATOM 906 O GLU A 62 -1.812 5.672 -1.762 1.00 0.00 O ATOM 907 CB GLU A 62 -3.974 3.226 -1.038 1.00 0.00 C ATOM 908 CG GLU A 62 -5.253 2.947 -1.830 1.00 0.00 C ATOM 909 CD GLU A 62 -5.949 4.251 -2.224 1.00 0.00 C ATOM 910 OE1 GLU A 62 -5.227 5.165 -2.678 1.00 0.00 O ATOM 911 OE2 GLU A 62 -7.187 4.304 -2.064 1.00 0.00 O ATOM 0 H GLU A 62 -2.514 1.416 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.196 3.911 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.747 2.375 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.126 4.086 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.013 2.374 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.929 2.336 -1.232 1.00 0.00 H new ATOM 918 N TRP A 63 -1.042 4.029 -0.412 1.00 0.00 N ATOM 919 CA TRP A 63 -0.073 4.881 0.257 1.00 0.00 C ATOM 920 C TRP A 63 0.837 5.491 -0.811 1.00 0.00 C ATOM 921 O TRP A 63 1.115 6.689 -0.783 1.00 0.00 O ATOM 922 CB TRP A 63 0.697 4.101 1.325 1.00 0.00 C ATOM 923 CG TRP A 63 1.602 4.971 2.199 1.00 0.00 C ATOM 924 CD1 TRP A 63 1.425 5.316 3.482 1.00 0.00 C ATOM 925 CD2 TRP A 63 2.840 5.597 1.801 1.00 0.00 C ATOM 926 NE1 TRP A 63 2.454 6.115 3.937 1.00 0.00 N ATOM 927 CE2 TRP A 63 3.342 6.291 2.882 1.00 0.00 C ATOM 928 CE3 TRP A 63 3.514 5.576 0.567 1.00 0.00 C ATOM 929 CZ2 TRP A 63 4.539 7.016 2.839 1.00 0.00 C ATOM 930 CZ3 TRP A 63 4.708 6.306 0.540 1.00 0.00 C ATOM 931 CH2 TRP A 63 5.227 7.010 1.620 1.00 0.00 C ATOM 0 H TRP A 63 -1.057 3.062 -0.086 1.00 0.00 H new ATOM 0 HA TRP A 63 -0.573 5.689 0.791 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -0.016 3.580 1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.304 3.339 0.837 1.00 0.00 H new ATOM 0 HD1 TRP A 63 0.583 5.008 4.084 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.546 6.505 4.875 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.140 5.039 -0.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 4.911 7.551 3.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.265 6.323 -0.385 1.00 0.00 H new ATOM 0 HH2 TRP A 63 6.157 7.550 1.519 1.00 0.00 H new ATOM 942 N LEU A 64 1.275 4.640 -1.726 1.00 0.00 N ATOM 943 CA LEU A 64 2.148 5.080 -2.801 1.00 0.00 C ATOM 944 C LEU A 64 1.396 6.077 -3.686 1.00 0.00 C ATOM 945 O LEU A 64 2.006 6.954 -4.295 1.00 0.00 O ATOM 946 CB LEU A 64 2.706 3.878 -3.565 1.00 0.00 C ATOM 947 CG LEU A 64 4.012 3.290 -3.029 1.00 0.00 C ATOM 948 CD1 LEU A 64 4.297 1.924 -3.656 1.00 0.00 C ATOM 949 CD2 LEU A 64 5.175 4.265 -3.227 1.00 0.00 C ATOM 0 H LEU A 64 1.042 3.647 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 64 3.016 5.602 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.951 3.092 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.862 4.173 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 64 3.901 3.135 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.231 1.529 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.483 1.239 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.380 2.030 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.091 3.822 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.297 4.475 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.966 5.193 -2.695 1.00 0.00 H new ATOM 961 N ILE A 65 0.083 5.907 -3.730 1.00 0.00 N ATOM 962 CA ILE A 65 -0.758 6.781 -4.531 1.00 0.00 C ATOM 963 C ILE A 65 -0.955 8.107 -3.794 1.00 0.00 C ATOM 964 O ILE A 65 -0.825 9.176 -4.388 1.00 0.00 O ATOM 965 CB ILE A 65 -2.068 6.078 -4.893 1.00 0.00 C ATOM 966 CG1 ILE A 65 -1.802 4.796 -5.685 1.00 0.00 C ATOM 967 CG2 ILE A 65 -3.010 7.026 -5.638 1.00 0.00 C ATOM 968 CD1 ILE A 65 -2.902 3.762 -5.440 1.00 0.00 C ATOM 0 H ILE A 65 -0.419 5.177 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.274 7.012 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.567 5.788 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.745 5.027 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.836 4.380 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.934 6.502 -5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.237 7.885 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.531 7.368 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.689 2.861 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.940 3.515 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.863 4.172 -5.752 1.00 0.00 H new ATOM 980 N GLU A 66 -1.266 7.994 -2.511 1.00 0.00 N ATOM 981 CA GLU A 66 -1.482 9.172 -1.687 1.00 0.00 C ATOM 982 C GLU A 66 -0.168 9.929 -1.488 1.00 0.00 C ATOM 983 O GLU A 66 -0.116 11.146 -1.662 1.00 0.00 O ATOM 984 CB GLU A 66 -2.105 8.793 -0.342 1.00 0.00 C ATOM 985 CG GLU A 66 -3.512 9.378 -0.206 1.00 0.00 C ATOM 986 CD GLU A 66 -3.465 10.905 -0.113 1.00 0.00 C ATOM 987 OE1 GLU A 66 -2.983 11.395 0.931 1.00 0.00 O ATOM 988 OE2 GLU A 66 -3.911 11.546 -1.089 1.00 0.00 O ATOM 0 H GLU A 66 -1.374 7.105 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.182 9.829 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.148 7.708 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.476 9.157 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.117 9.081 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.995 8.971 0.682 1.00 0.00 H new ATOM 995 N HIS A 67 0.862 9.178 -1.126 1.00 0.00 N ATOM 996 CA HIS A 67 2.173 9.763 -0.902 1.00 0.00 C ATOM 997 C HIS A 67 2.820 10.104 -2.246 1.00 0.00 C ATOM 998 O HIS A 67 3.844 10.784 -2.291 1.00 0.00 O ATOM 999 CB HIS A 67 3.041 8.841 -0.044 1.00 0.00 C ATOM 1000 CG HIS A 67 2.668 8.833 1.420 1.00 0.00 C ATOM 1001 ND1 HIS A 67 3.450 9.427 2.395 1.00 0.00 N ATOM 1002 CD2 HIS A 67 1.590 8.300 2.062 1.00 0.00 C ATOM 1003 CE1 HIS A 67 2.860 9.251 3.568 1.00 0.00 C ATOM 1004 NE2 HIS A 67 1.707 8.552 3.360 1.00 0.00 N ATOM 0 H HIS A 67 0.815 8.169 -0.982 1.00 0.00 H new ATOM 0 HA HIS A 67 2.068 10.692 -0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.968 7.825 -0.432 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.083 9.146 -0.141 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.778 7.763 1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.227 9.600 4.522 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.044 8.270 4.082 1.00 0.00 H new ATOM 1012 N ALA A 68 2.195 9.617 -3.308 1.00 0.00 N ATOM 1013 CA ALA A 68 2.696 9.862 -4.649 1.00 0.00 C ATOM 1014 C ALA A 68 3.186 11.308 -4.750 1.00 0.00 C ATOM 1015 O ALA A 68 4.107 11.604 -5.510 1.00 0.00 O ATOM 1016 CB ALA A 68 1.602 9.545 -5.670 1.00 0.00 C ATOM 0 H ALA A 68 1.346 9.054 -3.266 1.00 0.00 H new ATOM 0 HA ALA A 68 3.543 9.211 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.979 9.729 -6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.310 8.499 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.736 10.181 -5.485 1.00 0.00 H new ATOM 1022 N GLU A 69 2.549 12.171 -3.972 1.00 0.00 N ATOM 1023 CA GLU A 69 2.908 13.578 -3.964 1.00 0.00 C ATOM 1024 C GLU A 69 3.176 14.050 -2.534 1.00 0.00 C ATOM 1025 O GLU A 69 2.591 15.032 -2.080 1.00 0.00 O ATOM 1026 CB GLU A 69 1.820 14.426 -4.626 1.00 0.00 C ATOM 1027 CG GLU A 69 1.849 14.265 -6.147 1.00 0.00 C ATOM 1028 CD GLU A 69 1.663 15.614 -6.845 1.00 0.00 C ATOM 1029 OE1 GLU A 69 0.545 16.162 -6.732 1.00 0.00 O ATOM 1030 OE2 GLU A 69 2.643 16.067 -7.475 1.00 0.00 O ATOM 0 H GLU A 69 1.786 11.922 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 69 3.822 13.702 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.842 14.132 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.962 15.475 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.797 13.822 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.062 13.579 -6.459 1.00 0.00 H new ATOM 1037 N ASP A 70 4.061 13.327 -1.862 1.00 0.00 N ATOM 1038 CA ASP A 70 4.414 13.660 -0.492 1.00 0.00 C ATOM 1039 C ASP A 70 5.815 14.273 -0.466 1.00 0.00 C ATOM 1040 O ASP A 70 6.685 13.878 -1.241 1.00 0.00 O ATOM 1041 CB ASP A 70 4.427 12.411 0.391 1.00 0.00 C ATOM 1042 CG ASP A 70 3.571 12.504 1.656 1.00 0.00 C ATOM 1043 OD1 ASP A 70 2.333 12.575 1.500 1.00 0.00 O ATOM 1044 OD2 ASP A 70 4.175 12.504 2.751 1.00 0.00 O ATOM 0 H ASP A 70 4.544 12.512 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 70 3.672 14.362 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.083 11.563 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.456 12.201 0.682 1.00 0.00 H new ATOM 1049 N PRO A 71 5.996 15.253 0.460 1.00 0.00 N ATOM 1050 CA PRO A 71 7.278 15.924 0.598 1.00 0.00 C ATOM 1051 C PRO A 71 8.295 15.024 1.302 1.00 0.00 C ATOM 1052 O PRO A 71 9.414 14.852 0.821 1.00 0.00 O ATOM 1053 CB PRO A 71 6.974 17.196 1.373 1.00 0.00 C ATOM 1054 CG PRO A 71 5.627 16.966 2.040 1.00 0.00 C ATOM 1055 CD PRO A 71 4.990 15.746 1.395 1.00 0.00 C ATOM 0 HA PRO A 71 7.736 16.158 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.748 17.396 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.938 18.059 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.753 16.809 3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.987 17.840 1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.738 14.991 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.065 16.008 0.880 1.00 0.00 H new ATOM 1063 N THR A 72 7.870 14.473 2.429 1.00 0.00 N ATOM 1064 CA THR A 72 8.730 13.595 3.204 1.00 0.00 C ATOM 1065 C THR A 72 9.380 12.549 2.297 1.00 0.00 C ATOM 1066 O THR A 72 10.594 12.355 2.337 1.00 0.00 O ATOM 1067 CB THR A 72 7.892 12.986 4.330 1.00 0.00 C ATOM 1068 OG1 THR A 72 6.900 12.222 3.651 1.00 0.00 O ATOM 1069 CG2 THR A 72 7.091 14.039 5.099 1.00 0.00 C ATOM 0 H THR A 72 6.941 14.618 2.824 1.00 0.00 H new ATOM 0 HA THR A 72 9.555 14.146 3.655 1.00 0.00 H new ATOM 0 HB THR A 72 8.545 12.452 5.020 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.087 12.759 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.514 13.554 5.886 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.774 14.763 5.543 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.413 14.551 4.416 1.00 0.00 H new ATOM 1077 N ILE A 73 8.543 11.902 1.499 1.00 0.00 N ATOM 1078 CA ILE A 73 9.021 10.880 0.583 1.00 0.00 C ATOM 1079 C ILE A 73 10.310 11.363 -0.085 1.00 0.00 C ATOM 1080 O ILE A 73 11.206 10.566 -0.362 1.00 0.00 O ATOM 1081 CB ILE A 73 7.922 10.493 -0.409 1.00 0.00 C ATOM 1082 CG1 ILE A 73 7.924 8.985 -0.668 1.00 0.00 C ATOM 1083 CG2 ILE A 73 8.045 11.297 -1.704 1.00 0.00 C ATOM 1084 CD1 ILE A 73 6.555 8.512 -1.162 1.00 0.00 C ATOM 0 H ILE A 73 7.537 12.066 1.468 1.00 0.00 H new ATOM 0 HA ILE A 73 9.265 9.966 1.125 1.00 0.00 H new ATOM 0 HB ILE A 73 6.958 10.742 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.686 8.740 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.187 8.455 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.252 11.003 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.956 12.360 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.014 11.102 -2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.583 7.437 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.799 8.736 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.306 9.026 -2.091 1.00 0.00 H new ATOM 1096 N ASP A 74 10.363 12.665 -0.324 1.00 0.00 N ATOM 1097 CA ASP A 74 11.528 13.263 -0.954 1.00 0.00 C ATOM 1098 C ASP A 74 11.302 14.768 -1.109 1.00 0.00 C ATOM 1099 O ASP A 74 10.291 15.194 -1.666 1.00 0.00 O ATOM 1100 CB ASP A 74 11.764 12.675 -2.346 1.00 0.00 C ATOM 1101 CG ASP A 74 13.227 12.638 -2.793 1.00 0.00 C ATOM 1102 OD1 ASP A 74 14.004 13.458 -2.260 1.00 0.00 O ATOM 1103 OD2 ASP A 74 13.534 11.790 -3.659 1.00 0.00 O ATOM 0 H ASP A 74 9.618 13.323 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 74 12.394 13.058 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.368 11.660 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.193 13.255 -3.071 1.00 0.00 H new ATOM 1108 N THR A 75 12.260 15.533 -0.605 1.00 0.00 N ATOM 1109 CA THR A 75 12.178 16.982 -0.681 1.00 0.00 C ATOM 1110 C THR A 75 11.676 17.416 -2.059 1.00 0.00 C ATOM 1111 O THR A 75 11.959 16.762 -3.061 1.00 0.00 O ATOM 1112 CB THR A 75 13.553 17.552 -0.327 1.00 0.00 C ATOM 1113 OG1 THR A 75 14.042 16.676 0.685 1.00 0.00 O ATOM 1114 CG2 THR A 75 13.462 18.911 0.369 1.00 0.00 C ATOM 0 H THR A 75 13.096 15.177 -0.143 1.00 0.00 H new ATOM 0 HA THR A 75 11.454 17.376 0.032 1.00 0.00 H new ATOM 0 HB THR A 75 14.150 17.648 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.931 16.971 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.465 19.270 0.598 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.963 19.623 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.893 18.809 1.293 1.00 0.00 H new ATOM 1122 N PRO A 76 10.920 18.547 -2.065 1.00 0.00 N ATOM 1123 CA PRO A 76 10.376 19.077 -3.303 1.00 0.00 C ATOM 1124 C PRO A 76 11.465 19.760 -4.133 1.00 0.00 C ATOM 1125 O PRO A 76 12.617 19.838 -3.708 1.00 0.00 O ATOM 1126 CB PRO A 76 9.272 20.030 -2.872 1.00 0.00 C ATOM 1127 CG PRO A 76 9.547 20.352 -1.412 1.00 0.00 C ATOM 1128 CD PRO A 76 10.564 19.348 -0.897 1.00 0.00 C ATOM 0 HA PRO A 76 9.980 18.299 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.278 20.935 -3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.291 19.571 -2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.928 21.368 -1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.628 20.297 -0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.438 19.848 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.143 18.728 -0.106 1.00 0.00 H new ATOM 1136 N LEU A 77 11.062 20.237 -5.301 1.00 0.00 N ATOM 1137 CA LEU A 77 11.990 20.911 -6.194 1.00 0.00 C ATOM 1138 C LEU A 77 11.338 22.187 -6.731 1.00 0.00 C ATOM 1139 O LEU A 77 10.120 22.247 -6.888 1.00 0.00 O ATOM 1140 CB LEU A 77 12.467 19.956 -7.291 1.00 0.00 C ATOM 1141 CG LEU A 77 13.259 18.735 -6.818 1.00 0.00 C ATOM 1142 CD1 LEU A 77 13.080 17.559 -7.781 1.00 0.00 C ATOM 1143 CD2 LEU A 77 14.734 19.085 -6.611 1.00 0.00 C ATOM 0 H LEU A 77 10.106 20.170 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 77 12.887 21.213 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.596 19.607 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.086 20.518 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 77 12.862 18.424 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.653 16.704 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.025 17.291 -7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.434 17.843 -8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.274 18.200 -6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.160 19.435 -7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.820 19.870 -5.859 1.00 0.00 H new ATOM 1155 N SER A 78 12.179 23.175 -6.998 1.00 0.00 N ATOM 1156 CA SER A 78 11.700 24.446 -7.514 1.00 0.00 C ATOM 1157 C SER A 78 12.804 25.132 -8.322 1.00 0.00 C ATOM 1158 O SER A 78 13.586 25.909 -7.777 1.00 0.00 O ATOM 1159 CB SER A 78 11.229 25.359 -6.379 1.00 0.00 C ATOM 1160 OG SER A 78 12.270 25.632 -5.446 1.00 0.00 O ATOM 0 H SER A 78 13.189 23.121 -6.867 1.00 0.00 H new ATOM 0 HA SER A 78 10.848 24.251 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.862 26.296 -6.797 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.392 24.891 -5.861 1.00 0.00 H new ATOM 0 HG SER A 78 13.104 25.809 -5.929 1.00 0.00 H new ATOM 1166 N GLY A 79 12.831 24.819 -9.609 1.00 0.00 N ATOM 1167 CA GLY A 79 13.826 25.395 -10.498 1.00 0.00 C ATOM 1168 C GLY A 79 13.363 25.329 -11.955 1.00 0.00 C ATOM 1169 O GLY A 79 12.793 26.288 -12.473 1.00 0.00 O ATOM 0 H GLY A 79 12.180 24.174 -10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.012 26.432 -10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.770 24.861 -10.388 1.00 0.00 H new ATOM 1173 N PRO A 80 13.633 24.157 -12.591 1.00 0.00 N ATOM 1174 CA PRO A 80 13.251 23.953 -13.978 1.00 0.00 C ATOM 1175 C PRO A 80 11.745 23.714 -14.102 1.00 0.00 C ATOM 1176 O PRO A 80 11.061 24.411 -14.849 1.00 0.00 O ATOM 1177 CB PRO A 80 14.082 22.769 -14.445 1.00 0.00 C ATOM 1178 CG PRO A 80 14.550 22.065 -13.182 1.00 0.00 C ATOM 1179 CD PRO A 80 14.307 23.001 -12.009 1.00 0.00 C ATOM 0 HA PRO A 80 13.443 24.827 -14.601 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.491 22.099 -15.070 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.930 23.099 -15.045 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.007 21.130 -13.043 1.00 0.00 H new ATOM 0 HG3 PRO A 80 15.608 21.812 -13.256 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.691 22.527 -11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 80 15.243 23.288 -11.531 1.00 0.00 H new ATOM 1187 N SER A 81 11.272 22.724 -13.358 1.00 0.00 N ATOM 1188 CA SER A 81 9.860 22.384 -13.375 1.00 0.00 C ATOM 1189 C SER A 81 9.456 21.897 -14.768 1.00 0.00 C ATOM 1190 O SER A 81 9.704 22.578 -15.763 1.00 0.00 O ATOM 1191 CB SER A 81 9.000 23.579 -12.960 1.00 0.00 C ATOM 1192 OG SER A 81 7.830 23.176 -12.255 1.00 0.00 O ATOM 0 H SER A 81 11.842 22.147 -12.740 1.00 0.00 H new ATOM 0 HA SER A 81 9.692 21.584 -12.654 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.588 24.249 -12.333 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.712 24.144 -13.847 1.00 0.00 H new ATOM 0 HG SER A 81 7.309 23.968 -12.006 1.00 0.00 H new ATOM 1198 N SER A 82 8.841 20.724 -14.796 1.00 0.00 N ATOM 1199 CA SER A 82 8.401 20.139 -16.050 1.00 0.00 C ATOM 1200 C SER A 82 7.125 19.324 -15.828 1.00 0.00 C ATOM 1201 O SER A 82 7.049 18.525 -14.896 1.00 0.00 O ATOM 1202 CB SER A 82 9.493 19.259 -16.661 1.00 0.00 C ATOM 1203 OG SER A 82 9.682 18.054 -15.925 1.00 0.00 O ATOM 0 H SER A 82 8.637 20.163 -13.969 1.00 0.00 H new ATOM 0 HA SER A 82 8.191 20.948 -16.749 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.230 19.017 -17.691 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.430 19.815 -16.694 1.00 0.00 H new ATOM 0 HG SER A 82 10.386 17.519 -16.348 1.00 0.00 H new ATOM 1209 N GLY A 83 6.154 19.554 -16.700 1.00 0.00 N ATOM 1210 CA GLY A 83 4.886 18.851 -16.611 1.00 0.00 C ATOM 1211 C GLY A 83 4.381 18.453 -17.999 1.00 0.00 C ATOM 1212 O GLY A 83 3.717 19.241 -18.671 1.00 0.00 O ATOM 0 H GLY A 83 6.220 20.218 -17.472 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.002 17.960 -15.993 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.148 19.485 -16.120 1.00 0.00 H new TER 1216 GLY A 83