USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 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 26 THR OG1 : rot 180:sc= 1 USER MOD Set 1.2: A 29 SER OG : rot 65:sc= 1.28 USER MOD Set 2.1: A 1 ALA N :NH3+ -114:sc= 0.124 (180deg=0) USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= -1.22 F(o=-7.1!,f=-1.1) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -120:sc= -1.1 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.506 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -1.63 (180deg=-4.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0365) USER MOD Single : A 41 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 46 MET CE :methyl 132:sc= -0.502 (180deg=-2.29!) USER MOD Single : A 47 ASN : amide:sc= -2.26! X(o=-2.3!,f=-2.5) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.562 F(o=-2!,f=-0.56) USER MOD Single : A 60 LYS NZ :NH3+ -108:sc= -1.94 (180deg=-3.52!) USER MOD Single : A 62 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.56) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 132:sc= 0.375 USER MOD Single : A 69 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.167 -7.692 2.020 1.00 1.00 N ATOM 2 CA ALA A 1 -8.941 -7.764 0.550 1.00 1.00 C ATOM 3 C ALA A 1 -8.575 -9.195 0.167 1.00 1.00 C ATOM 4 O ALA A 1 -8.237 -10.011 1.022 1.00 1.00 O ATOM 5 CB ALA A 1 -7.809 -6.809 0.164 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.167 -7.474 2.207 1.00 1.00 H new ATOM 0 H2 ALA A 1 -8.924 -8.606 2.454 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.568 -6.946 2.427 1.00 1.00 H new ATOM 0 HA ALA A 1 -9.848 -7.473 0.020 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.641 -6.860 -0.912 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.082 -5.791 0.441 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -6.897 -7.096 0.687 1.00 1.00 H new ATOM 13 N LYS A 2 -8.646 -9.491 -1.120 1.00 1.00 N ATOM 14 CA LYS A 2 -8.322 -10.829 -1.613 1.00 1.00 C ATOM 15 C LYS A 2 -6.812 -10.978 -1.780 1.00 1.00 C ATOM 16 O LYS A 2 -6.059 -10.022 -1.604 1.00 1.00 O ATOM 17 CB LYS A 2 -9.019 -11.077 -2.965 1.00 1.00 C ATOM 18 CG LYS A 2 -9.160 -9.743 -3.727 1.00 1.00 C ATOM 19 CD LYS A 2 -10.514 -9.100 -3.396 1.00 1.00 C ATOM 20 CE LYS A 2 -10.628 -7.761 -4.112 1.00 1.00 C ATOM 21 NZ LYS A 2 -12.008 -7.230 -3.950 1.00 1.00 N ATOM 0 H LYS A 2 -8.924 -8.829 -1.844 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.674 -11.562 -0.888 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.442 -11.787 -3.558 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.001 -11.521 -2.803 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.349 -9.068 -3.452 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.081 -9.916 -4.800 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.326 -9.759 -3.703 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.608 -8.958 -2.319 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.905 -7.055 -3.704 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.394 -7.881 -5.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -12.088 -6.315 -4.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -12.689 -7.901 -4.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -12.214 -7.101 -2.939 1.00 1.00 H new ATOM 35 N LYS A 3 -6.383 -12.185 -2.136 1.00 1.00 N ATOM 36 CA LYS A 3 -4.962 -12.447 -2.334 1.00 1.00 C ATOM 37 C LYS A 3 -4.446 -11.725 -3.570 1.00 1.00 C ATOM 38 O LYS A 3 -3.260 -11.414 -3.667 1.00 1.00 O ATOM 39 CB LYS A 3 -4.736 -13.950 -2.490 1.00 1.00 C ATOM 40 CG LYS A 3 -5.634 -14.500 -3.631 1.00 1.00 C ATOM 41 CD LYS A 3 -6.379 -15.747 -3.156 1.00 1.00 C ATOM 42 CE LYS A 3 -5.389 -16.903 -3.003 1.00 1.00 C ATOM 43 NZ LYS A 3 -6.133 -18.147 -2.663 1.00 1.00 N ATOM 0 H LYS A 3 -6.991 -12.989 -2.292 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.418 -12.079 -1.464 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.687 -14.148 -2.712 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.966 -14.461 -1.555 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.347 -13.737 -3.943 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.023 -14.741 -4.501 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.873 -15.549 -2.205 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.158 -16.013 -3.871 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -4.829 -17.042 -3.928 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -4.664 -16.675 -2.222 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -5.462 -18.935 -2.558 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -6.649 -18.010 -1.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -6.809 -18.366 -3.423 1.00 1.00 H new ATOM 57 N GLU A 4 -5.341 -11.470 -4.522 1.00 1.00 N ATOM 58 CA GLU A 4 -4.954 -10.792 -5.753 1.00 1.00 C ATOM 59 C GLU A 4 -4.614 -9.336 -5.484 1.00 1.00 C ATOM 60 O GLU A 4 -3.582 -8.845 -5.929 1.00 1.00 O ATOM 61 CB GLU A 4 -6.096 -10.869 -6.771 1.00 1.00 C ATOM 62 CG GLU A 4 -6.352 -12.329 -7.147 1.00 1.00 C ATOM 63 CD GLU A 4 -5.142 -12.902 -7.877 1.00 1.00 C ATOM 64 OE1 GLU A 4 -4.357 -12.118 -8.385 1.00 1.00 O ATOM 65 OE2 GLU A 4 -5.018 -14.115 -7.916 1.00 1.00 O ATOM 0 H GLU A 4 -6.328 -11.720 -4.465 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.071 -11.289 -6.154 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -7.000 -10.427 -6.352 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -5.842 -10.293 -7.661 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -6.555 -12.913 -6.250 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -7.236 -12.400 -7.781 1.00 1.00 H new ATOM 72 N THR A 5 -5.488 -8.652 -4.754 1.00 1.00 N ATOM 73 CA THR A 5 -5.271 -7.246 -4.433 1.00 1.00 C ATOM 74 C THR A 5 -3.994 -7.059 -3.628 1.00 1.00 C ATOM 75 O THR A 5 -3.207 -6.156 -3.898 1.00 1.00 O ATOM 76 CB THR A 5 -6.460 -6.697 -3.645 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.665 -7.029 -4.317 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.343 -5.178 -3.518 1.00 1.00 C ATOM 0 H THR A 5 -6.349 -9.046 -4.375 1.00 1.00 H new ATOM 0 HA THR A 5 -5.172 -6.698 -5.370 1.00 1.00 H new ATOM 0 HB THR A 5 -6.466 -7.138 -2.648 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.144 -6.208 -4.554 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.194 -4.793 -2.955 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.419 -4.927 -2.997 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.332 -4.730 -4.511 1.00 1.00 H new ATOM 86 N ILE A 6 -3.796 -7.917 -2.639 1.00 1.00 N ATOM 87 CA ILE A 6 -2.616 -7.834 -1.791 1.00 1.00 C ATOM 88 C ILE A 6 -1.348 -7.899 -2.637 1.00 1.00 C ATOM 89 O ILE A 6 -0.368 -7.211 -2.357 1.00 1.00 O ATOM 90 CB ILE A 6 -2.617 -8.981 -0.776 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.774 -8.788 0.208 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.291 -8.989 -0.004 1.00 1.00 C ATOM 93 CD1 ILE A 6 -3.953 -10.061 1.039 1.00 1.00 C ATOM 0 H ILE A 6 -4.435 -8.677 -2.404 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.638 -6.883 -1.259 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.736 -9.928 -1.302 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.572 -7.939 0.862 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.693 -8.562 -0.334 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.295 -9.806 0.717 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.465 -9.125 -0.702 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.170 -8.042 0.522 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.776 -9.925 1.740 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.174 -10.899 0.378 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.036 -10.267 1.592 1.00 1.00 H new ATOM 105 N ASP A 7 -1.369 -8.741 -3.663 1.00 1.00 N ATOM 106 CA ASP A 7 -0.212 -8.895 -4.532 1.00 1.00 C ATOM 107 C ASP A 7 0.102 -7.583 -5.242 1.00 1.00 C ATOM 108 O ASP A 7 1.264 -7.214 -5.400 1.00 1.00 O ATOM 109 CB ASP A 7 -0.483 -9.989 -5.570 1.00 1.00 C ATOM 110 CG ASP A 7 -0.490 -11.356 -4.895 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.034 -11.440 -3.767 1.00 1.00 O ATOM 112 OD2 ASP A 7 -0.954 -12.299 -5.517 1.00 1.00 O ATOM 0 H ASP A 7 -2.169 -9.323 -3.911 1.00 1.00 H new ATOM 0 HA ASP A 7 0.645 -9.178 -3.921 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.441 -9.810 -6.058 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.281 -9.962 -6.347 1.00 1.00 H new ATOM 117 N LYS A 8 -0.943 -6.890 -5.685 1.00 1.00 N ATOM 118 CA LYS A 8 -0.755 -5.632 -6.394 1.00 1.00 C ATOM 119 C LYS A 8 -0.070 -4.605 -5.506 1.00 1.00 C ATOM 120 O LYS A 8 0.921 -3.990 -5.901 1.00 1.00 O ATOM 121 CB LYS A 8 -2.111 -5.086 -6.835 1.00 1.00 C ATOM 122 CG LYS A 8 -2.879 -6.170 -7.605 1.00 1.00 C ATOM 123 CD LYS A 8 -3.894 -5.519 -8.561 1.00 1.00 C ATOM 124 CE LYS A 8 -3.196 -5.145 -9.872 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.184 -4.558 -10.808 1.00 1.00 N ATOM 0 H LYS A 8 -1.915 -7.174 -5.567 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.125 -5.820 -7.263 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.686 -4.767 -5.965 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.973 -4.207 -7.465 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.182 -6.790 -8.169 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.396 -6.827 -6.906 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.716 -6.207 -8.758 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.325 -4.630 -8.100 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.394 -4.432 -9.679 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.738 -6.028 -10.317 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -3.710 -4.304 -11.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.934 -5.252 -11.001 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.601 -3.706 -10.383 1.00 1.00 H new ATOM 139 N VAL A 9 -0.598 -4.429 -4.300 1.00 1.00 N ATOM 140 CA VAL A 9 -0.022 -3.478 -3.363 1.00 1.00 C ATOM 141 C VAL A 9 1.358 -3.946 -2.904 1.00 1.00 C ATOM 142 O VAL A 9 2.308 -3.173 -2.875 1.00 1.00 O ATOM 143 CB VAL A 9 -0.937 -3.320 -2.146 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.506 -2.094 -1.326 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.383 -3.136 -2.616 1.00 1.00 C ATOM 0 H VAL A 9 -1.417 -4.928 -3.952 1.00 1.00 H new ATOM 0 HA VAL A 9 0.080 -2.518 -3.868 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.865 -4.212 -1.524 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.161 -1.986 -0.461 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.522 -2.225 -0.989 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.573 -1.200 -1.946 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.035 -3.023 -1.750 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.452 -2.245 -3.241 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.692 -4.008 -3.192 1.00 1.00 H new ATOM 155 N SER A 10 1.458 -5.218 -2.547 1.00 1.00 N ATOM 156 CA SER A 10 2.722 -5.780 -2.088 1.00 1.00 C ATOM 157 C SER A 10 3.777 -5.691 -3.184 1.00 1.00 C ATOM 158 O SER A 10 4.930 -5.351 -2.923 1.00 1.00 O ATOM 159 CB SER A 10 2.528 -7.241 -1.683 1.00 1.00 C ATOM 160 OG SER A 10 3.757 -7.763 -1.200 1.00 1.00 O ATOM 0 H SER A 10 0.682 -5.880 -2.566 1.00 1.00 H new ATOM 0 HA SER A 10 3.061 -5.206 -1.225 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.760 -7.318 -0.913 1.00 1.00 H new ATOM 0 HB3 SER A 10 2.183 -7.824 -2.537 1.00 1.00 H new ATOM 0 HG SER A 10 3.634 -8.699 -0.938 1.00 1.00 H new ATOM 166 N ASP A 11 3.374 -6.000 -4.412 1.00 1.00 N ATOM 167 CA ASP A 11 4.294 -5.954 -5.539 1.00 1.00 C ATOM 168 C ASP A 11 4.829 -4.541 -5.740 1.00 1.00 C ATOM 169 O ASP A 11 6.016 -4.341 -5.965 1.00 1.00 O ATOM 170 CB ASP A 11 3.584 -6.420 -6.812 1.00 1.00 C ATOM 171 CG ASP A 11 3.373 -7.931 -6.773 1.00 1.00 C ATOM 172 OD1 ASP A 11 3.947 -8.569 -5.906 1.00 1.00 O ATOM 173 OD2 ASP A 11 2.643 -8.428 -7.614 1.00 1.00 O ATOM 0 H ASP A 11 2.423 -6.283 -4.650 1.00 1.00 H new ATOM 0 HA ASP A 11 5.132 -6.618 -5.326 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.624 -5.913 -6.908 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.176 -6.150 -7.687 1.00 1.00 H new ATOM 178 N ILE A 12 3.941 -3.561 -5.668 1.00 1.00 N ATOM 179 CA ILE A 12 4.343 -2.173 -5.844 1.00 1.00 C ATOM 180 C ILE A 12 5.191 -1.710 -4.664 1.00 1.00 C ATOM 181 O ILE A 12 6.180 -1.001 -4.836 1.00 1.00 O ATOM 182 CB ILE A 12 3.099 -1.290 -5.958 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.328 -1.667 -7.233 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.524 0.181 -6.046 1.00 1.00 C ATOM 185 CD1 ILE A 12 0.895 -1.146 -7.130 1.00 1.00 C ATOM 0 H ILE A 12 2.946 -3.698 -5.491 1.00 1.00 H new ATOM 0 HA ILE A 12 4.936 -2.092 -6.755 1.00 1.00 H new ATOM 0 HB ILE A 12 2.465 -1.437 -5.083 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.820 -1.242 -8.108 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.325 -2.749 -7.363 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.638 0.811 -6.127 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.082 0.453 -5.150 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.154 0.326 -6.923 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.345 -1.412 -8.033 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.407 -1.592 -6.264 1.00 1.00 H new ATOM 0 HD13 ILE A 12 0.909 -0.062 -7.020 1.00 1.00 H new ATOM 197 N VAL A 13 4.768 -2.082 -3.457 1.00 1.00 N ATOM 198 CA VAL A 13 5.482 -1.665 -2.256 1.00 1.00 C ATOM 199 C VAL A 13 6.872 -2.283 -2.198 1.00 1.00 C ATOM 200 O VAL A 13 7.862 -1.585 -1.995 1.00 1.00 O ATOM 201 CB VAL A 13 4.687 -2.084 -1.013 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.506 -1.790 0.249 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.366 -1.307 -0.959 1.00 1.00 C ATOM 0 H VAL A 13 3.947 -2.663 -3.287 1.00 1.00 H new ATOM 0 HA VAL A 13 5.589 -0.581 -2.284 1.00 1.00 H new ATOM 0 HB VAL A 13 4.477 -3.152 -1.066 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.938 -2.089 1.130 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.441 -2.348 0.214 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.722 -0.723 0.302 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.803 -1.607 -0.075 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.574 -0.238 -0.911 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.780 -1.523 -1.852 1.00 1.00 H new ATOM 213 N LYS A 14 6.936 -3.595 -2.369 1.00 1.00 N ATOM 214 CA LYS A 14 8.210 -4.297 -2.319 1.00 1.00 C ATOM 215 C LYS A 14 9.126 -3.825 -3.441 1.00 1.00 C ATOM 216 O LYS A 14 10.349 -3.827 -3.304 1.00 1.00 O ATOM 217 CB LYS A 14 7.974 -5.808 -2.426 1.00 1.00 C ATOM 218 CG LYS A 14 7.749 -6.199 -3.888 1.00 1.00 C ATOM 219 CD LYS A 14 7.136 -7.592 -3.965 1.00 1.00 C ATOM 220 CE LYS A 14 8.060 -8.592 -3.272 1.00 1.00 C ATOM 221 NZ LYS A 14 7.667 -9.975 -3.653 1.00 1.00 N ATOM 0 H LYS A 14 6.127 -4.192 -2.542 1.00 1.00 H new ATOM 0 HA LYS A 14 8.694 -4.078 -1.367 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.831 -6.348 -2.024 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.109 -6.093 -1.827 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.091 -5.476 -4.370 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.695 -6.178 -4.429 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.155 -7.596 -3.490 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.987 -7.879 -5.006 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.095 -8.405 -3.557 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.000 -8.470 -2.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.295 -10.657 -3.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.685 -10.150 -3.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.746 -10.087 -4.684 1.00 1.00 H new ATOM 235 N GLU A 15 8.520 -3.450 -4.563 1.00 1.00 N ATOM 236 CA GLU A 15 9.285 -2.999 -5.711 1.00 1.00 C ATOM 237 C GLU A 15 9.923 -1.645 -5.433 1.00 1.00 C ATOM 238 O GLU A 15 11.061 -1.387 -5.818 1.00 1.00 O ATOM 239 CB GLU A 15 8.380 -2.903 -6.942 1.00 1.00 C ATOM 240 CG GLU A 15 9.201 -2.437 -8.153 1.00 1.00 C ATOM 241 CD GLU A 15 9.361 -0.919 -8.129 1.00 1.00 C ATOM 242 OE1 GLU A 15 8.407 -0.249 -7.772 1.00 1.00 O ATOM 243 OE2 GLU A 15 10.439 -0.452 -8.454 1.00 1.00 O ATOM 0 H GLU A 15 7.509 -3.451 -4.698 1.00 1.00 H new ATOM 0 HA GLU A 15 10.076 -3.724 -5.903 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.927 -3.873 -7.149 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.565 -2.205 -6.753 1.00 1.00 H new ATOM 0 HG2 GLU A 15 10.181 -2.913 -8.142 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.708 -2.743 -9.076 1.00 1.00 H new ATOM 250 N LYS A 16 9.166 -0.772 -4.785 1.00 1.00 N ATOM 251 CA LYS A 16 9.655 0.560 -4.473 1.00 1.00 C ATOM 252 C LYS A 16 10.709 0.522 -3.384 1.00 1.00 C ATOM 253 O LYS A 16 11.644 1.325 -3.380 1.00 1.00 O ATOM 254 CB LYS A 16 8.488 1.448 -4.031 1.00 1.00 C ATOM 255 CG LYS A 16 7.497 1.619 -5.198 1.00 1.00 C ATOM 256 CD LYS A 16 7.939 2.790 -6.090 1.00 1.00 C ATOM 257 CE LYS A 16 7.784 4.121 -5.327 1.00 1.00 C ATOM 258 NZ LYS A 16 9.116 4.545 -4.807 1.00 1.00 N ATOM 0 H LYS A 16 8.216 -0.962 -4.467 1.00 1.00 H new ATOM 0 HA LYS A 16 10.113 0.971 -5.373 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.983 1.002 -3.174 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.860 2.421 -3.711 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.450 0.701 -5.784 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.494 1.803 -4.812 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.977 2.655 -6.395 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.340 2.811 -7.000 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.377 4.887 -5.987 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.080 4.002 -4.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 9.064 4.664 -3.775 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 9.825 3.820 -5.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.389 5.448 -5.246 1.00 1.00 H new ATOM 272 N LEU A 17 10.533 -0.393 -2.442 1.00 1.00 N ATOM 273 CA LEU A 17 11.463 -0.513 -1.325 1.00 1.00 C ATOM 274 C LEU A 17 12.634 -1.405 -1.685 1.00 1.00 C ATOM 275 O LEU A 17 13.595 -1.507 -0.924 1.00 1.00 O ATOM 276 CB LEU A 17 10.731 -1.085 -0.103 1.00 1.00 C ATOM 277 CG LEU A 17 9.568 -0.162 0.285 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.830 -0.750 1.491 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.105 1.235 0.643 1.00 1.00 C ATOM 0 H LEU A 17 9.761 -1.060 -2.427 1.00 1.00 H new ATOM 0 HA LEU A 17 11.849 0.479 -1.091 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.356 -2.084 -0.327 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.423 -1.185 0.733 1.00 1.00 H new ATOM 0 HG LEU A 17 8.882 -0.077 -0.558 1.00 1.00 H new ATOM 0 HD11 LEU A 17 8.004 -0.095 1.767 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.441 -1.736 1.235 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.519 -0.839 2.331 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.274 1.885 0.917 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.796 1.155 1.482 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.626 1.656 -0.217 1.00 1.00 H new ATOM 291 N ALA A 18 12.552 -2.041 -2.846 1.00 1.00 N ATOM 292 CA ALA A 18 13.621 -2.923 -3.299 1.00 1.00 C ATOM 293 C ALA A 18 13.229 -3.611 -4.601 1.00 1.00 C ATOM 294 O ALA A 18 12.161 -3.362 -5.142 1.00 1.00 O ATOM 295 CB ALA A 18 13.914 -3.980 -2.230 1.00 1.00 C ATOM 0 H ALA A 18 11.763 -1.964 -3.488 1.00 1.00 H new ATOM 0 HA ALA A 18 14.514 -2.323 -3.471 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.714 -4.635 -2.576 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.221 -3.488 -1.307 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.016 -4.570 -2.046 1.00 1.00 H new ATOM 301 N LEU A 19 14.101 -4.481 -5.091 1.00 1.00 N ATOM 302 CA LEU A 19 13.831 -5.208 -6.327 1.00 1.00 C ATOM 303 C LEU A 19 12.744 -6.251 -6.110 1.00 1.00 C ATOM 304 O LEU A 19 12.059 -6.653 -7.051 1.00 1.00 O ATOM 305 CB LEU A 19 15.107 -5.896 -6.815 1.00 1.00 C ATOM 306 CG LEU A 19 16.231 -4.862 -6.936 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.522 -5.560 -7.368 1.00 1.00 C ATOM 308 CD2 LEU A 19 15.847 -3.799 -7.978 1.00 1.00 C ATOM 0 H LEU A 19 14.997 -4.701 -4.656 1.00 1.00 H new ATOM 0 HA LEU A 19 13.490 -4.495 -7.078 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.397 -6.684 -6.120 1.00 1.00 H new ATOM 0 HB3 LEU A 19 14.930 -6.371 -7.780 1.00 1.00 H new ATOM 0 HG LEU A 19 16.384 -4.380 -5.970 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.322 -4.825 -7.454 1.00 1.00 H new ATOM 0 HD12 LEU A 19 17.796 -6.309 -6.626 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.369 -6.044 -8.333 1.00 1.00 H new ATOM 0 HD21 LEU A 19 16.649 -3.065 -8.062 1.00 1.00 H new ATOM 0 HD22 LEU A 19 15.691 -4.277 -8.945 1.00 1.00 H new ATOM 0 HD23 LEU A 19 14.929 -3.300 -7.667 1.00 1.00 H new ATOM 320 N GLY A 20 12.589 -6.688 -4.864 1.00 1.00 N ATOM 321 CA GLY A 20 11.577 -7.688 -4.532 1.00 1.00 C ATOM 322 C GLY A 20 12.143 -9.096 -4.664 1.00 1.00 C ATOM 323 O GLY A 20 11.542 -10.064 -4.199 1.00 1.00 O ATOM 0 H GLY A 20 13.146 -6.369 -4.072 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.222 -7.528 -3.514 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.717 -7.574 -5.191 1.00 1.00 H new ATOM 327 N ALA A 21 13.304 -9.205 -5.305 1.00 1.00 N ATOM 328 CA ALA A 21 13.938 -10.504 -5.494 1.00 1.00 C ATOM 329 C ALA A 21 14.455 -11.048 -4.170 1.00 1.00 C ATOM 330 O ALA A 21 14.189 -12.196 -3.812 1.00 1.00 O ATOM 331 CB ALA A 21 15.103 -10.376 -6.481 1.00 1.00 C ATOM 0 H ALA A 21 13.819 -8.418 -5.698 1.00 1.00 H new ATOM 0 HA ALA A 21 13.194 -11.194 -5.892 1.00 1.00 H new ATOM 0 HB1 ALA A 21 15.573 -11.350 -6.618 1.00 1.00 H new ATOM 0 HB2 ALA A 21 14.730 -10.015 -7.439 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.836 -9.672 -6.089 1.00 1.00 H new ATOM 337 N ASP A 22 15.202 -10.222 -3.444 1.00 1.00 N ATOM 338 CA ASP A 22 15.760 -10.631 -2.157 1.00 1.00 C ATOM 339 C ASP A 22 14.900 -10.120 -1.014 1.00 1.00 C ATOM 340 O ASP A 22 15.240 -10.299 0.154 1.00 1.00 O ATOM 341 CB ASP A 22 17.182 -10.092 -2.008 1.00 1.00 C ATOM 342 CG ASP A 22 18.109 -10.790 -2.997 1.00 1.00 C ATOM 343 OD1 ASP A 22 17.689 -11.780 -3.574 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.223 -10.324 -3.165 1.00 1.00 O ATOM 0 H ASP A 22 15.435 -9.269 -3.722 1.00 1.00 H new ATOM 0 HA ASP A 22 15.780 -11.720 -2.122 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.193 -9.016 -2.184 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.536 -10.252 -0.990 1.00 1.00 H new ATOM 349 N VAL A 23 13.787 -9.473 -1.353 1.00 1.00 N ATOM 350 CA VAL A 23 12.880 -8.927 -0.341 1.00 1.00 C ATOM 351 C VAL A 23 11.512 -9.577 -0.453 1.00 1.00 C ATOM 352 O VAL A 23 10.954 -9.684 -1.544 1.00 1.00 O ATOM 353 CB VAL A 23 12.745 -7.417 -0.522 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.780 -6.866 0.529 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.117 -6.759 -0.354 1.00 1.00 C ATOM 0 H VAL A 23 13.491 -9.313 -2.316 1.00 1.00 H new ATOM 0 HA VAL A 23 13.293 -9.137 0.646 1.00 1.00 H new ATOM 0 HB VAL A 23 12.360 -7.200 -1.518 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.681 -5.788 0.403 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.804 -7.336 0.409 1.00 1.00 H new ATOM 0 HG13 VAL A 23 12.166 -7.081 1.525 1.00 1.00 H new ATOM 0 HG21 VAL A 23 14.022 -5.681 -0.483 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.503 -6.972 0.643 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.804 -7.155 -1.102 1.00 1.00 H new ATOM 365 N VAL A 24 10.976 -10.016 0.683 1.00 1.00 N ATOM 366 CA VAL A 24 9.662 -10.663 0.713 1.00 1.00 C ATOM 367 C VAL A 24 8.686 -9.843 1.539 1.00 1.00 C ATOM 368 O VAL A 24 8.987 -9.457 2.667 1.00 1.00 O ATOM 369 CB VAL A 24 9.784 -12.066 1.308 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.544 -12.882 0.938 1.00 1.00 C ATOM 371 CG2 VAL A 24 11.031 -12.749 0.743 1.00 1.00 C ATOM 0 H VAL A 24 11.428 -9.937 1.594 1.00 1.00 H new ATOM 0 HA VAL A 24 9.288 -10.734 -0.308 1.00 1.00 H new ATOM 0 HB VAL A 24 9.866 -11.999 2.393 1.00 1.00 H new ATOM 0 HG11 VAL A 24 8.628 -13.883 1.361 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.655 -12.393 1.336 1.00 1.00 H new ATOM 0 HG13 VAL A 24 8.465 -12.952 -0.147 1.00 1.00 H new ATOM 0 HG21 VAL A 24 11.121 -13.750 1.166 1.00 1.00 H new ATOM 0 HG22 VAL A 24 10.948 -12.819 -0.342 1.00 1.00 H new ATOM 0 HG23 VAL A 24 11.914 -12.165 1.002 1.00 1.00 H new ATOM 381 N VAL A 25 7.513 -9.577 0.971 1.00 1.00 N ATOM 382 CA VAL A 25 6.488 -8.796 1.662 1.00 1.00 C ATOM 383 C VAL A 25 5.250 -9.648 1.900 1.00 1.00 C ATOM 384 O VAL A 25 4.805 -10.375 1.014 1.00 1.00 O ATOM 385 CB VAL A 25 6.116 -7.567 0.832 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.916 -6.862 1.472 1.00 1.00 C ATOM 387 CG2 VAL A 25 7.307 -6.607 0.777 1.00 1.00 C ATOM 0 H VAL A 25 7.248 -9.889 0.037 1.00 1.00 H new ATOM 0 HA VAL A 25 6.886 -8.471 2.623 1.00 1.00 H new ATOM 0 HB VAL A 25 5.856 -7.877 -0.180 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.651 -5.986 0.880 1.00 1.00 H new ATOM 0 HG12 VAL A 25 4.068 -7.546 1.507 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.174 -6.552 2.485 1.00 1.00 H new ATOM 0 HG21 VAL A 25 7.041 -5.731 0.185 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.570 -6.296 1.788 1.00 1.00 H new ATOM 0 HG23 VAL A 25 8.159 -7.110 0.319 1.00 1.00 H new ATOM 397 N THR A 26 4.698 -9.552 3.106 1.00 1.00 N ATOM 398 CA THR A 26 3.500 -10.318 3.465 1.00 1.00 C ATOM 399 C THR A 26 2.422 -9.399 4.030 1.00 1.00 C ATOM 400 O THR A 26 2.681 -8.245 4.359 1.00 1.00 O ATOM 401 CB THR A 26 3.867 -11.390 4.502 1.00 1.00 C ATOM 402 OG1 THR A 26 4.846 -10.871 5.393 1.00 1.00 O ATOM 403 CG2 THR A 26 4.419 -12.626 3.794 1.00 1.00 C ATOM 0 H THR A 26 5.056 -8.955 3.851 1.00 1.00 H new ATOM 0 HA THR A 26 3.109 -10.797 2.567 1.00 1.00 H new ATOM 0 HB THR A 26 2.976 -11.669 5.065 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.080 -11.554 6.056 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.678 -13.384 4.534 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.664 -13.024 3.116 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.309 -12.353 3.227 1.00 1.00 H new ATOM 411 N ALA A 27 1.210 -9.928 4.140 1.00 1.00 N ATOM 412 CA ALA A 27 0.098 -9.159 4.671 1.00 1.00 C ATOM 413 C ALA A 27 0.336 -8.814 6.135 1.00 1.00 C ATOM 414 O ALA A 27 -0.262 -7.882 6.671 1.00 1.00 O ATOM 415 CB ALA A 27 -1.202 -9.953 4.530 1.00 1.00 C ATOM 0 H ALA A 27 0.975 -10.883 3.869 1.00 1.00 H new ATOM 0 HA ALA A 27 0.017 -8.232 4.103 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.030 -9.369 4.931 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.385 -10.167 3.477 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.118 -10.889 5.082 1.00 1.00 H new ATOM 421 N ASP A 28 1.191 -9.593 6.788 1.00 1.00 N ATOM 422 CA ASP A 28 1.483 -9.373 8.205 1.00 1.00 C ATOM 423 C ASP A 28 2.692 -8.461 8.370 1.00 1.00 C ATOM 424 O ASP A 28 3.024 -8.047 9.480 1.00 1.00 O ATOM 425 CB ASP A 28 1.763 -10.715 8.887 1.00 1.00 C ATOM 426 CG ASP A 28 1.779 -10.536 10.402 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.668 -9.406 10.848 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.891 -11.533 11.096 1.00 1.00 O ATOM 0 H ASP A 28 1.691 -10.376 6.367 1.00 1.00 H new ATOM 0 HA ASP A 28 0.618 -8.896 8.666 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.000 -11.441 8.606 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.720 -11.111 8.549 1.00 1.00 H new ATOM 433 N SER A 29 3.355 -8.157 7.258 1.00 1.00 N ATOM 434 CA SER A 29 4.534 -7.301 7.299 1.00 1.00 C ATOM 435 C SER A 29 4.130 -5.838 7.439 1.00 1.00 C ATOM 436 O SER A 29 3.228 -5.364 6.750 1.00 1.00 O ATOM 437 CB SER A 29 5.355 -7.485 6.020 1.00 1.00 C ATOM 438 OG SER A 29 6.011 -8.745 6.062 1.00 1.00 O ATOM 0 H SER A 29 3.099 -8.487 6.327 1.00 1.00 H new ATOM 0 HA SER A 29 5.136 -7.583 8.163 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.706 -7.429 5.146 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.087 -6.683 5.925 1.00 1.00 H new ATOM 0 HG SER A 29 5.343 -9.462 6.051 1.00 1.00 H new ATOM 444 N GLU A 30 4.815 -5.122 8.326 1.00 1.00 N ATOM 445 CA GLU A 30 4.528 -3.707 8.544 1.00 1.00 C ATOM 446 C GLU A 30 5.361 -2.846 7.605 1.00 1.00 C ATOM 447 O GLU A 30 6.518 -3.148 7.345 1.00 1.00 O ATOM 448 CB GLU A 30 4.830 -3.329 9.992 1.00 1.00 C ATOM 449 CG GLU A 30 3.850 -4.050 10.921 1.00 1.00 C ATOM 450 CD GLU A 30 4.176 -3.728 12.374 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.090 -2.950 12.596 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.507 -4.260 13.244 1.00 1.00 O ATOM 0 H GLU A 30 5.569 -5.495 8.903 1.00 1.00 H new ATOM 0 HA GLU A 30 3.472 -3.532 8.340 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.855 -3.601 10.244 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.746 -2.250 10.123 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.829 -3.745 10.693 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.906 -5.126 10.757 1.00 1.00 H new ATOM 459 N PHE A 31 4.766 -1.770 7.106 1.00 1.00 N ATOM 460 CA PHE A 31 5.469 -0.876 6.190 1.00 1.00 C ATOM 461 C PHE A 31 6.789 -0.412 6.797 1.00 1.00 C ATOM 462 O PHE A 31 7.804 -0.332 6.107 1.00 1.00 O ATOM 463 CB PHE A 31 4.593 0.343 5.879 1.00 1.00 C ATOM 464 CG PHE A 31 3.479 -0.058 4.942 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.739 -0.208 3.571 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.188 -0.287 5.438 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.706 -0.582 2.707 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.160 -0.660 4.567 1.00 1.00 C ATOM 469 CZ PHE A 31 1.418 -0.809 3.203 1.00 1.00 C ATOM 0 H PHE A 31 3.807 -1.495 7.317 1.00 1.00 H new ATOM 0 HA PHE A 31 5.679 -1.421 5.270 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.177 0.749 6.801 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.196 1.131 5.427 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.733 -0.035 3.185 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.987 -0.175 6.493 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.903 -0.696 1.651 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.165 -0.833 4.950 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.624 -1.099 2.531 1.00 1.00 H new ATOM 479 N SER A 32 6.767 -0.111 8.089 1.00 1.00 N ATOM 480 CA SER A 32 7.966 0.339 8.782 1.00 1.00 C ATOM 481 C SER A 32 9.038 -0.748 8.757 1.00 1.00 C ATOM 482 O SER A 32 10.225 -0.456 8.601 1.00 1.00 O ATOM 483 CB SER A 32 7.636 0.695 10.229 1.00 1.00 C ATOM 484 OG SER A 32 8.802 1.196 10.869 1.00 1.00 O ATOM 0 H SER A 32 5.935 -0.170 8.676 1.00 1.00 H new ATOM 0 HA SER A 32 8.345 1.224 8.270 1.00 1.00 H new ATOM 0 HB2 SER A 32 6.842 1.441 10.260 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.268 -0.185 10.757 1.00 1.00 H new ATOM 0 HG SER A 32 8.592 1.427 11.798 1.00 1.00 H new ATOM 490 N LYS A 33 8.622 -2.007 8.906 1.00 1.00 N ATOM 491 CA LYS A 33 9.555 -3.098 8.893 1.00 1.00 C ATOM 492 C LYS A 33 10.264 -3.175 7.543 1.00 1.00 C ATOM 493 O LYS A 33 11.432 -3.555 7.469 1.00 1.00 O ATOM 494 CB LYS A 33 8.796 -4.411 9.204 1.00 1.00 C ATOM 495 CG LYS A 33 9.394 -5.577 8.410 1.00 1.00 C ATOM 496 CD LYS A 33 10.816 -5.888 8.939 1.00 1.00 C ATOM 497 CE LYS A 33 10.724 -6.939 10.044 1.00 1.00 C ATOM 498 NZ LYS A 33 10.573 -8.281 9.423 1.00 1.00 N ATOM 0 H LYS A 33 7.648 -2.279 9.035 1.00 1.00 H new ATOM 0 HA LYS A 33 10.319 -2.941 9.655 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.849 -4.625 10.271 1.00 1.00 H new ATOM 0 HB3 LYS A 33 7.741 -4.296 8.954 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.759 -6.458 8.504 1.00 1.00 H new ATOM 0 HG3 LYS A 33 9.436 -5.325 7.350 1.00 1.00 H new ATOM 0 HD2 LYS A 33 11.447 -6.251 8.128 1.00 1.00 H new ATOM 0 HD3 LYS A 33 11.281 -4.980 9.323 1.00 1.00 H new ATOM 0 HE2 LYS A 33 11.618 -6.910 10.666 1.00 1.00 H new ATOM 0 HE3 LYS A 33 9.876 -6.728 10.695 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 10.040 -8.902 10.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 10.060 -8.191 8.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 11.513 -8.690 9.246 1.00 1.00 H new ATOM 512 N LEU A 34 9.518 -2.911 6.482 1.00 1.00 N ATOM 513 CA LEU A 34 10.063 -3.025 5.136 1.00 1.00 C ATOM 514 C LEU A 34 11.145 -1.989 4.938 1.00 1.00 C ATOM 515 O LEU A 34 11.997 -2.130 4.065 1.00 1.00 O ATOM 516 CB LEU A 34 8.952 -2.823 4.105 1.00 1.00 C ATOM 517 CG LEU A 34 7.821 -3.824 4.354 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.687 -3.573 3.357 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.344 -5.256 4.192 1.00 1.00 C ATOM 0 H LEU A 34 8.542 -2.619 6.524 1.00 1.00 H new ATOM 0 HA LEU A 34 10.490 -4.019 5.004 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.568 -1.805 4.166 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.350 -2.954 3.099 1.00 1.00 H new ATOM 0 HG LEU A 34 7.446 -3.696 5.370 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.882 -4.286 3.535 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.308 -2.559 3.484 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.062 -3.695 2.341 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.533 -5.962 4.371 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.726 -5.391 3.180 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.145 -5.434 4.910 1.00 1.00 H new ATOM 531 N GLY A 35 11.118 -0.950 5.766 1.00 1.00 N ATOM 532 CA GLY A 35 12.115 0.117 5.680 1.00 1.00 C ATOM 533 C GLY A 35 11.504 1.390 5.109 1.00 1.00 C ATOM 534 O GLY A 35 12.212 2.361 4.844 1.00 1.00 O ATOM 0 H GLY A 35 10.422 -0.822 6.501 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.524 0.318 6.670 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.945 -0.206 5.052 1.00 1.00 H new ATOM 538 N ALA A 36 10.188 1.380 4.923 1.00 1.00 N ATOM 539 CA ALA A 36 9.497 2.542 4.383 1.00 1.00 C ATOM 540 C ALA A 36 9.694 3.749 5.293 1.00 1.00 C ATOM 541 O ALA A 36 9.145 3.806 6.394 1.00 1.00 O ATOM 542 CB ALA A 36 8.002 2.242 4.250 1.00 1.00 C ATOM 0 H ALA A 36 9.584 0.586 5.137 1.00 1.00 H new ATOM 0 HA ALA A 36 9.913 2.768 3.401 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.490 3.115 3.845 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.859 1.395 3.579 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.590 2.002 5.230 1.00 1.00 H new ATOM 548 N ASP A 37 10.478 4.714 4.824 1.00 1.00 N ATOM 549 CA ASP A 37 10.744 5.923 5.601 1.00 1.00 C ATOM 550 C ASP A 37 9.680 6.980 5.328 1.00 1.00 C ATOM 551 O ASP A 37 8.719 6.733 4.600 1.00 1.00 O ATOM 552 CB ASP A 37 12.123 6.480 5.248 1.00 1.00 C ATOM 553 CG ASP A 37 13.212 5.580 5.823 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.895 4.765 6.673 1.00 1.00 O ATOM 555 OD2 ASP A 37 14.350 5.721 5.406 1.00 1.00 O ATOM 0 H ASP A 37 10.939 4.685 3.915 1.00 1.00 H new ATOM 0 HA ASP A 37 10.719 5.664 6.659 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.230 6.549 4.165 1.00 1.00 H new ATOM 0 HB3 ASP A 37 12.228 7.490 5.643 1.00 1.00 H new ATOM 560 N SER A 38 9.857 8.155 5.921 1.00 1.00 N ATOM 561 CA SER A 38 8.903 9.242 5.737 1.00 1.00 C ATOM 562 C SER A 38 8.801 9.621 4.263 1.00 1.00 C ATOM 563 O SER A 38 7.705 9.722 3.712 1.00 1.00 O ATOM 564 CB SER A 38 9.343 10.462 6.550 1.00 1.00 C ATOM 0 H SER A 38 10.645 8.378 6.528 1.00 1.00 H new ATOM 0 HA SER A 38 7.925 8.907 6.082 1.00 1.00 H new ATOM 569 N LEU A 39 9.950 9.826 3.629 1.00 1.00 N ATOM 570 CA LEU A 39 9.977 10.188 2.217 1.00 1.00 C ATOM 571 C LEU A 39 9.416 9.058 1.363 1.00 1.00 C ATOM 572 O LEU A 39 8.668 9.296 0.416 1.00 1.00 O ATOM 573 CB LEU A 39 11.413 10.493 1.785 1.00 1.00 C ATOM 574 CG LEU A 39 12.028 11.521 2.740 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.477 11.793 2.333 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.225 12.828 2.680 1.00 1.00 C ATOM 0 H LEU A 39 10.868 9.749 4.066 1.00 1.00 H new ATOM 0 HA LEU A 39 9.359 11.074 2.076 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.006 9.579 1.787 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.423 10.877 0.765 1.00 1.00 H new ATOM 0 HG LEU A 39 12.003 11.129 3.757 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.915 12.524 3.012 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.048 10.866 2.381 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.502 12.183 1.315 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.665 13.557 3.360 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.246 13.221 1.664 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.193 12.635 2.973 1.00 1.00 H new ATOM 588 N ASP A 40 9.785 7.829 1.703 1.00 1.00 N ATOM 589 CA ASP A 40 9.314 6.669 0.953 1.00 1.00 C ATOM 590 C ASP A 40 7.806 6.518 1.101 1.00 1.00 C ATOM 591 O ASP A 40 7.109 6.275 0.121 1.00 1.00 O ATOM 592 CB ASP A 40 10.015 5.399 1.470 1.00 1.00 C ATOM 593 CG ASP A 40 11.366 5.227 0.780 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.425 5.429 -0.421 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.318 4.892 1.462 1.00 1.00 O ATOM 0 H ASP A 40 10.402 7.610 2.485 1.00 1.00 H new ATOM 0 HA ASP A 40 9.551 6.813 -0.101 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.155 5.465 2.549 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.389 4.527 1.283 1.00 1.00 H new ATOM 600 N THR A 41 7.313 6.662 2.324 1.00 1.00 N ATOM 601 CA THR A 41 5.886 6.523 2.585 1.00 1.00 C ATOM 602 C THR A 41 5.076 7.296 1.552 1.00 1.00 C ATOM 603 O THR A 41 4.040 6.827 1.085 1.00 1.00 O ATOM 604 CB THR A 41 5.562 7.050 3.987 1.00 1.00 C ATOM 605 OG1 THR A 41 6.220 6.246 4.958 1.00 1.00 O ATOM 606 CG2 THR A 41 4.053 6.995 4.216 1.00 1.00 C ATOM 0 H THR A 41 7.877 6.874 3.147 1.00 1.00 H new ATOM 0 HA THR A 41 5.623 5.467 2.521 1.00 1.00 H new ATOM 0 HB THR A 41 5.904 8.081 4.077 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.112 6.611 5.135 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.822 7.370 5.213 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.549 7.611 3.471 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.709 5.965 4.127 1.00 1.00 H new ATOM 614 N VAL A 42 5.562 8.470 1.189 1.00 1.00 N ATOM 615 CA VAL A 42 4.885 9.298 0.198 1.00 1.00 C ATOM 616 C VAL A 42 4.899 8.612 -1.165 1.00 1.00 C ATOM 617 O VAL A 42 3.903 8.626 -1.889 1.00 1.00 O ATOM 618 CB VAL A 42 5.563 10.667 0.099 1.00 1.00 C ATOM 619 CG1 VAL A 42 4.921 11.478 -1.028 1.00 1.00 C ATOM 620 CG2 VAL A 42 5.387 11.416 1.421 1.00 1.00 C ATOM 0 H VAL A 42 6.421 8.874 1.563 1.00 1.00 H new ATOM 0 HA VAL A 42 3.851 9.437 0.512 1.00 1.00 H new ATOM 0 HB VAL A 42 6.624 10.531 -0.110 1.00 1.00 H new ATOM 0 HG11 VAL A 42 5.405 12.452 -1.097 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.040 10.946 -1.972 1.00 1.00 H new ATOM 0 HG13 VAL A 42 3.860 11.614 -0.819 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.869 12.391 1.354 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.325 11.549 1.625 1.00 1.00 H new ATOM 0 HG23 VAL A 42 5.842 10.842 2.228 1.00 1.00 H new ATOM 630 N GLU A 43 6.041 8.030 -1.518 1.00 1.00 N ATOM 631 CA GLU A 43 6.177 7.357 -2.800 1.00 1.00 C ATOM 632 C GLU A 43 5.196 6.195 -2.898 1.00 1.00 C ATOM 633 O GLU A 43 4.604 5.959 -3.951 1.00 1.00 O ATOM 634 CB GLU A 43 7.608 6.837 -2.956 1.00 1.00 C ATOM 635 CG GLU A 43 8.580 8.014 -3.041 1.00 1.00 C ATOM 636 CD GLU A 43 8.352 8.791 -4.334 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.795 8.217 -5.255 1.00 1.00 O ATOM 638 OE2 GLU A 43 8.737 9.947 -4.383 1.00 1.00 O ATOM 0 H GLU A 43 6.879 8.012 -0.937 1.00 1.00 H new ATOM 0 HA GLU A 43 5.957 8.069 -3.596 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.867 6.200 -2.111 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.686 6.223 -3.854 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.442 8.672 -2.183 1.00 1.00 H new ATOM 0 HG3 GLU A 43 9.607 7.651 -3.002 1.00 1.00 H new ATOM 645 N ILE A 44 5.025 5.475 -1.796 1.00 1.00 N ATOM 646 CA ILE A 44 4.109 4.341 -1.776 1.00 1.00 C ATOM 647 C ILE A 44 2.686 4.799 -2.043 1.00 1.00 C ATOM 648 O ILE A 44 1.985 4.214 -2.862 1.00 1.00 O ATOM 649 CB ILE A 44 4.175 3.646 -0.409 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.631 3.315 -0.067 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.364 2.354 -0.453 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.278 2.530 -1.210 1.00 1.00 C ATOM 0 H ILE A 44 5.503 5.653 -0.913 1.00 1.00 H new ATOM 0 HA ILE A 44 4.405 3.642 -2.558 1.00 1.00 H new ATOM 0 HB ILE A 44 3.765 4.311 0.351 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.188 4.235 0.113 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.672 2.732 0.853 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.412 1.861 0.518 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.326 2.584 -0.693 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.775 1.693 -1.216 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.313 2.301 -0.954 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.730 1.602 -1.370 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.253 3.127 -2.121 1.00 1.00 H new ATOM 664 N VAL A 45 2.266 5.845 -1.349 1.00 1.00 N ATOM 665 CA VAL A 45 0.918 6.368 -1.520 1.00 1.00 C ATOM 666 C VAL A 45 0.735 6.921 -2.929 1.00 1.00 C ATOM 667 O VAL A 45 -0.295 6.703 -3.566 1.00 1.00 O ATOM 668 CB VAL A 45 0.651 7.473 -0.496 1.00 1.00 C ATOM 669 CG1 VAL A 45 -0.772 8.006 -0.674 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.817 6.909 0.914 1.00 1.00 C ATOM 0 H VAL A 45 2.834 6.346 -0.666 1.00 1.00 H new ATOM 0 HA VAL A 45 0.210 5.554 -1.366 1.00 1.00 H new ATOM 0 HB VAL A 45 1.360 8.287 -0.647 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -0.960 8.793 0.056 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -0.886 8.410 -1.680 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.485 7.195 -0.526 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.627 7.695 1.645 1.00 1.00 H new ATOM 0 HG22 VAL A 45 0.109 6.094 1.065 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.833 6.535 1.039 1.00 1.00 H new ATOM 680 N MET A 46 1.732 7.655 -3.404 1.00 1.00 N ATOM 681 CA MET A 46 1.657 8.246 -4.732 1.00 1.00 C ATOM 682 C MET A 46 1.509 7.168 -5.799 1.00 1.00 C ATOM 683 O MET A 46 0.700 7.297 -6.718 1.00 1.00 O ATOM 684 CB MET A 46 2.930 9.065 -5.009 1.00 1.00 C ATOM 685 CG MET A 46 2.612 10.203 -5.989 1.00 1.00 C ATOM 686 SD MET A 46 1.810 11.557 -5.092 1.00 1.00 S ATOM 687 CE MET A 46 3.224 12.025 -4.056 1.00 1.00 C ATOM 0 H MET A 46 2.594 7.854 -2.895 1.00 1.00 H new ATOM 0 HA MET A 46 0.783 8.896 -4.768 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.321 9.474 -4.077 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.705 8.421 -5.424 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.528 10.557 -6.463 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.960 9.842 -6.785 1.00 1.00 H new ATOM 0 HE1 MET A 46 3.360 13.106 -4.093 1.00 1.00 H new ATOM 0 HE2 MET A 46 3.038 11.718 -3.027 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.124 11.533 -4.425 1.00 1.00 H new ATOM 697 N ASN A 47 2.316 6.117 -5.686 1.00 1.00 N ATOM 698 CA ASN A 47 2.275 5.038 -6.662 1.00 1.00 C ATOM 699 C ASN A 47 0.931 4.320 -6.619 1.00 1.00 C ATOM 700 O ASN A 47 0.322 4.064 -7.657 1.00 1.00 O ATOM 701 CB ASN A 47 3.400 4.036 -6.367 1.00 1.00 C ATOM 702 CG ASN A 47 4.737 4.595 -6.841 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.394 3.996 -7.694 1.00 1.00 O ATOM 704 ND2 ASN A 47 5.179 5.715 -6.339 1.00 1.00 N ATOM 0 H ASN A 47 2.997 5.992 -4.937 1.00 1.00 H new ATOM 0 HA ASN A 47 2.410 5.465 -7.656 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.442 3.829 -5.298 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.195 3.089 -6.867 1.00 1.00 H new ATOM 0 HD21 ASN A 47 6.071 6.097 -6.653 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.632 6.208 -5.633 1.00 1.00 H new ATOM 711 N LEU A 48 0.482 3.983 -5.413 1.00 1.00 N ATOM 712 CA LEU A 48 -0.783 3.280 -5.254 1.00 1.00 C ATOM 713 C LEU A 48 -1.943 4.136 -5.740 1.00 1.00 C ATOM 714 O LEU A 48 -2.826 3.658 -6.448 1.00 1.00 O ATOM 715 CB LEU A 48 -0.992 2.922 -3.781 1.00 1.00 C ATOM 716 CG LEU A 48 0.061 1.899 -3.341 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.018 1.747 -1.818 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.215 0.541 -4.000 1.00 1.00 C ATOM 0 H LEU A 48 0.971 4.184 -4.541 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.749 2.370 -5.853 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.920 3.819 -3.166 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.992 2.514 -3.635 1.00 1.00 H new ATOM 0 HG LEU A 48 1.047 2.248 -3.647 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.766 1.020 -1.504 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.228 2.709 -1.350 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.971 1.404 -1.514 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.539 -0.178 -3.681 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.203 0.187 -3.704 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.178 0.648 -5.084 1.00 1.00 H new ATOM 730 N GLU A 49 -1.927 5.404 -5.372 1.00 1.00 N ATOM 731 CA GLU A 49 -2.982 6.316 -5.786 1.00 1.00 C ATOM 732 C GLU A 49 -2.966 6.516 -7.295 1.00 1.00 C ATOM 733 O GLU A 49 -4.013 6.638 -7.929 1.00 1.00 O ATOM 734 CB GLU A 49 -2.815 7.666 -5.084 1.00 1.00 C ATOM 735 CG GLU A 49 -3.202 7.532 -3.610 1.00 1.00 C ATOM 736 CD GLU A 49 -2.989 8.860 -2.894 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.574 9.803 -3.546 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.242 8.913 -1.702 1.00 1.00 O ATOM 0 H GLU A 49 -1.202 5.825 -4.792 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.940 5.878 -5.505 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.783 8.006 -5.170 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.439 8.418 -5.567 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.245 7.227 -3.525 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.603 6.754 -3.137 1.00 1.00 H new ATOM 745 N GLU A 50 -1.773 6.554 -7.860 1.00 1.00 N ATOM 746 CA GLU A 50 -1.621 6.739 -9.298 1.00 1.00 C ATOM 747 C GLU A 50 -1.944 5.451 -10.048 1.00 1.00 C ATOM 748 O GLU A 50 -2.507 5.483 -11.144 1.00 1.00 O ATOM 749 CB GLU A 50 -0.191 7.181 -9.626 1.00 1.00 C ATOM 750 CG GLU A 50 -0.072 7.467 -11.125 1.00 1.00 C ATOM 751 CD GLU A 50 1.322 7.994 -11.447 1.00 1.00 C ATOM 752 OE1 GLU A 50 2.028 8.350 -10.517 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.664 8.032 -12.617 1.00 1.00 O ATOM 0 H GLU A 50 -0.895 6.460 -7.349 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.320 7.513 -9.616 1.00 1.00 H new ATOM 0 HB2 GLU A 50 0.065 8.073 -9.054 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.516 6.403 -9.337 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.266 6.557 -11.694 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -0.824 8.197 -11.425 1.00 1.00 H new ATOM 760 N GLU A 51 -1.557 4.317 -9.463 1.00 1.00 N ATOM 761 CA GLU A 51 -1.791 3.030 -10.098 1.00 1.00 C ATOM 762 C GLU A 51 -3.271 2.683 -10.081 1.00 1.00 C ATOM 763 O GLU A 51 -3.815 2.194 -11.072 1.00 1.00 O ATOM 764 CB GLU A 51 -0.998 1.943 -9.369 1.00 1.00 C ATOM 765 CG GLU A 51 -1.029 0.651 -10.189 1.00 1.00 C ATOM 766 CD GLU A 51 -0.170 0.808 -11.439 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.523 1.807 -11.536 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.221 -0.072 -12.281 1.00 1.00 O ATOM 0 H GLU A 51 -1.085 4.268 -8.560 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.461 3.090 -11.135 1.00 1.00 H new ATOM 0 HB2 GLU A 51 0.032 2.267 -9.221 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.423 1.769 -8.380 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.662 -0.181 -9.587 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.055 0.413 -10.470 1.00 1.00 H new ATOM 775 N PHE A 52 -3.919 2.919 -8.944 1.00 1.00 N ATOM 776 CA PHE A 52 -5.340 2.613 -8.803 1.00 1.00 C ATOM 777 C PHE A 52 -6.185 3.843 -9.111 1.00 1.00 C ATOM 778 O PHE A 52 -7.411 3.767 -9.167 1.00 1.00 O ATOM 779 CB PHE A 52 -5.626 2.132 -7.380 1.00 1.00 C ATOM 780 CG PHE A 52 -5.083 0.737 -7.194 1.00 1.00 C ATOM 781 CD1 PHE A 52 -3.764 0.550 -6.763 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.895 -0.371 -7.455 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.258 -0.736 -6.591 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.389 -1.663 -7.281 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.070 -1.845 -6.851 1.00 1.00 C ATOM 0 H PHE A 52 -3.486 3.319 -8.111 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.599 1.826 -9.511 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.169 2.809 -6.659 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.700 2.143 -7.191 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -3.137 1.406 -6.563 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -6.912 -0.229 -7.791 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -2.240 -0.877 -6.257 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -6.016 -2.520 -7.478 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.678 -2.843 -6.720 1.00 1.00 H new ATOM 795 N GLY A 53 -5.519 4.975 -9.324 1.00 1.00 N ATOM 796 CA GLY A 53 -6.224 6.211 -9.639 1.00 1.00 C ATOM 797 C GLY A 53 -7.248 6.543 -8.567 1.00 1.00 C ATOM 798 O GLY A 53 -8.407 6.825 -8.873 1.00 1.00 O ATOM 0 H GLY A 53 -4.503 5.061 -9.285 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.509 7.029 -9.729 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.721 6.114 -10.604 1.00 1.00 H new ATOM 802 N ILE A 54 -6.820 6.509 -7.310 1.00 1.00 N ATOM 803 CA ILE A 54 -7.711 6.810 -6.187 1.00 1.00 C ATOM 804 C ILE A 54 -7.164 7.966 -5.370 1.00 1.00 C ATOM 805 O ILE A 54 -5.981 8.290 -5.453 1.00 1.00 O ATOM 806 CB ILE A 54 -7.861 5.578 -5.300 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.480 5.106 -4.833 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.544 4.457 -6.086 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.635 4.025 -3.755 1.00 1.00 C ATOM 0 H ILE A 54 -5.864 6.277 -7.040 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.687 7.092 -6.583 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.469 5.834 -4.432 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.916 4.711 -5.678 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.913 5.948 -4.437 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.650 3.578 -5.450 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.530 4.789 -6.412 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -7.940 4.203 -6.957 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.650 3.694 -3.427 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.181 4.434 -2.905 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.184 3.178 -4.166 1.00 1.00 H new ATOM 821 N ASN A 55 -8.033 8.589 -4.579 1.00 1.00 N ATOM 822 CA ASN A 55 -7.629 9.719 -3.740 1.00 1.00 C ATOM 823 C ASN A 55 -7.977 9.450 -2.283 1.00 1.00 C ATOM 824 O ASN A 55 -9.135 9.215 -1.944 1.00 1.00 O ATOM 825 CB ASN A 55 -8.335 10.992 -4.214 1.00 1.00 C ATOM 826 CG ASN A 55 -8.426 11.001 -5.737 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.198 10.138 -6.339 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -7.775 11.813 -6.394 1.00 1.00 N flip ATOM 0 H ASN A 55 -9.017 8.334 -4.500 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.550 9.850 -3.823 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -9.334 11.046 -3.781 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.790 11.870 -3.869 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -7.173 12.486 -5.920 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -7.838 11.813 -7.412 1.00 1.00 H new ATOM 835 N VAL A 56 -6.967 9.497 -1.420 1.00 1.00 N ATOM 836 CA VAL A 56 -7.178 9.268 0.007 1.00 1.00 C ATOM 837 C VAL A 56 -6.269 10.175 0.832 1.00 1.00 C ATOM 838 O VAL A 56 -5.110 10.396 0.481 1.00 1.00 O ATOM 839 CB VAL A 56 -6.893 7.804 0.345 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.505 7.421 -0.171 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.948 7.608 1.862 1.00 1.00 C ATOM 0 H VAL A 56 -6.000 9.690 -1.680 1.00 1.00 H new ATOM 0 HA VAL A 56 -8.216 9.499 0.248 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.643 7.170 -0.129 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.302 6.378 0.070 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.468 7.557 -1.252 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.754 8.055 0.300 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.745 6.564 2.102 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.200 8.242 2.338 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.939 7.878 2.228 1.00 1.00 H new ATOM 851 N ASP A 57 -6.801 10.685 1.937 1.00 1.00 N ATOM 852 CA ASP A 57 -6.028 11.554 2.815 1.00 1.00 C ATOM 853 C ASP A 57 -5.022 10.745 3.629 1.00 1.00 C ATOM 854 O ASP A 57 -5.279 9.596 3.987 1.00 1.00 O ATOM 855 CB ASP A 57 -6.963 12.308 3.761 1.00 1.00 C ATOM 856 CG ASP A 57 -7.740 13.370 2.990 1.00 1.00 C ATOM 857 OD1 ASP A 57 -7.363 13.653 1.865 1.00 1.00 O ATOM 858 OD2 ASP A 57 -8.699 13.887 3.538 1.00 1.00 O ATOM 0 H ASP A 57 -7.758 10.513 2.244 1.00 1.00 H new ATOM 0 HA ASP A 57 -5.484 12.267 2.196 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.655 11.611 4.234 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.386 12.775 4.559 1.00 1.00 H new ATOM 863 N GLU A 58 -3.878 11.354 3.920 1.00 1.00 N ATOM 864 CA GLU A 58 -2.841 10.683 4.696 1.00 1.00 C ATOM 865 C GLU A 58 -3.328 10.410 6.115 1.00 1.00 C ATOM 866 O GLU A 58 -2.978 9.396 6.718 1.00 1.00 O ATOM 867 CB GLU A 58 -1.581 11.548 4.743 1.00 1.00 C ATOM 868 CG GLU A 58 -0.472 10.795 5.479 1.00 1.00 C ATOM 869 CD GLU A 58 0.827 11.593 5.423 1.00 1.00 C ATOM 870 OE1 GLU A 58 0.907 12.498 4.607 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.723 11.285 6.191 1.00 1.00 O ATOM 0 H GLU A 58 -3.646 12.305 3.633 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.610 9.733 4.214 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.258 11.794 3.731 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -1.793 12.490 5.248 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.761 10.628 6.517 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.325 9.814 5.027 1.00 1.00 H new ATOM 878 N ASP A 59 -4.136 11.324 6.644 1.00 1.00 N ATOM 879 CA ASP A 59 -4.664 11.173 7.996 1.00 1.00 C ATOM 880 C ASP A 59 -5.528 9.919 8.095 1.00 1.00 C ATOM 881 O ASP A 59 -5.484 9.197 9.091 1.00 1.00 O ATOM 882 CB ASP A 59 -5.498 12.399 8.370 1.00 1.00 C ATOM 883 CG ASP A 59 -6.018 12.258 9.797 1.00 1.00 C ATOM 884 OD1 ASP A 59 -5.829 11.200 10.374 1.00 1.00 O ATOM 885 OD2 ASP A 59 -6.597 13.212 10.292 1.00 1.00 O ATOM 0 H ASP A 59 -4.438 12.171 6.162 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.825 11.080 8.686 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.893 13.302 8.282 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -6.333 12.506 7.678 1.00 1.00 H new ATOM 890 N LYS A 60 -6.317 9.667 7.055 1.00 1.00 N ATOM 891 CA LYS A 60 -7.182 8.496 7.031 1.00 1.00 C ATOM 892 C LYS A 60 -6.360 7.213 6.973 1.00 1.00 C ATOM 893 O LYS A 60 -6.677 6.226 7.639 1.00 1.00 O ATOM 894 CB LYS A 60 -8.118 8.563 5.830 1.00 1.00 C ATOM 895 CG LYS A 60 -9.145 9.677 6.048 1.00 1.00 C ATOM 896 CD LYS A 60 -10.035 9.791 4.811 1.00 1.00 C ATOM 897 CE LYS A 60 -10.885 8.519 4.653 1.00 1.00 C ATOM 898 NZ LYS A 60 -10.128 7.518 3.852 1.00 1.00 N ATOM 0 H LYS A 60 -6.374 10.255 6.223 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.770 8.488 7.949 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.548 8.752 4.921 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.625 7.607 5.696 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.751 9.462 6.928 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.638 10.624 6.234 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.684 10.663 4.899 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.420 9.940 3.923 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.130 8.108 5.632 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.828 8.757 4.162 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -10.554 7.436 2.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -9.138 7.824 3.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -10.162 6.594 4.329 1.00 1.00 H new ATOM 912 N ALA A 61 -5.311 7.233 6.156 1.00 1.00 N ATOM 913 CA ALA A 61 -4.458 6.062 6.000 1.00 1.00 C ATOM 914 C ALA A 61 -3.558 5.879 7.218 1.00 1.00 C ATOM 915 O ALA A 61 -2.507 5.243 7.136 1.00 1.00 O ATOM 916 CB ALA A 61 -3.597 6.204 4.743 1.00 1.00 C ATOM 0 H ALA A 61 -5.034 8.040 5.597 1.00 1.00 H new ATOM 0 HA ALA A 61 -5.099 5.185 5.905 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.963 5.324 4.635 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -4.242 6.296 3.869 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.972 7.093 4.828 1.00 1.00 H new ATOM 922 N GLN A 62 -3.980 6.436 8.344 1.00 1.00 N ATOM 923 CA GLN A 62 -3.212 6.325 9.580 1.00 1.00 C ATOM 924 C GLN A 62 -3.436 4.964 10.231 1.00 1.00 C ATOM 925 O GLN A 62 -2.525 4.394 10.830 1.00 1.00 O ATOM 926 CB GLN A 62 -3.616 7.438 10.549 1.00 1.00 C ATOM 927 CG GLN A 62 -3.008 8.764 10.090 1.00 1.00 C ATOM 928 CD GLN A 62 -1.507 8.767 10.357 1.00 1.00 C ATOM 929 OE1 GLN A 62 -1.070 8.431 11.457 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.686 9.131 9.409 1.00 1.00 N ATOM 0 H GLN A 62 -4.846 6.968 8.429 1.00 1.00 H new ATOM 0 HA GLN A 62 -2.154 6.425 9.339 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.702 7.520 10.592 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.274 7.199 11.556 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.197 8.912 9.027 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.481 9.593 10.617 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.050 9.409 8.498 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.320 9.137 9.580 1.00 1.00 H new ATOM 939 N ASP A 63 -4.655 4.452 10.110 1.00 1.00 N ATOM 940 CA ASP A 63 -4.992 3.157 10.691 1.00 1.00 C ATOM 941 C ASP A 63 -4.244 2.041 9.970 1.00 1.00 C ATOM 942 O ASP A 63 -4.382 0.867 10.313 1.00 1.00 O ATOM 943 CB ASP A 63 -6.499 2.915 10.595 1.00 1.00 C ATOM 944 CG ASP A 63 -6.886 1.701 11.432 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.060 1.257 12.213 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.003 1.234 11.281 1.00 1.00 O ATOM 0 H ASP A 63 -5.422 4.910 9.618 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.696 3.160 11.740 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.040 3.795 10.944 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.785 2.756 9.555 1.00 1.00 H new ATOM 951 N ILE A 64 -3.460 2.414 8.963 1.00 1.00 N ATOM 952 CA ILE A 64 -2.704 1.433 8.198 1.00 1.00 C ATOM 953 C ILE A 64 -1.485 0.979 8.975 1.00 1.00 C ATOM 954 O ILE A 64 -0.676 1.795 9.404 1.00 1.00 O ATOM 955 CB ILE A 64 -2.262 2.041 6.861 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.490 2.557 6.108 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.559 0.979 6.016 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.507 1.422 5.903 1.00 1.00 C ATOM 0 H ILE A 64 -3.333 3.380 8.661 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.345 0.571 8.012 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.573 2.864 7.050 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.952 3.371 6.666 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.189 2.963 5.142 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.247 1.416 5.068 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.684 0.610 6.550 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.244 0.153 5.827 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.375 1.804 5.366 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.046 0.621 5.325 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.821 1.035 6.873 1.00 1.00 H new ATOM 970 N SER A 65 -1.357 -0.336 9.152 1.00 1.00 N ATOM 971 CA SER A 65 -0.223 -0.903 9.885 1.00 1.00 C ATOM 972 C SER A 65 0.506 -1.926 9.031 1.00 1.00 C ATOM 973 O SER A 65 1.730 -2.027 9.085 1.00 1.00 O ATOM 974 CB SER A 65 -0.714 -1.561 11.171 1.00 1.00 C ATOM 975 OG SER A 65 -1.615 -0.682 11.833 1.00 1.00 O ATOM 0 H SER A 65 -2.020 -1.026 8.800 1.00 1.00 H new ATOM 0 HA SER A 65 0.469 -0.098 10.132 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.209 -2.505 10.944 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.130 -1.792 11.820 1.00 1.00 H new ATOM 0 HG SER A 65 -1.934 -1.102 12.659 1.00 1.00 H new ATOM 981 N THR A 66 -0.251 -2.690 8.243 1.00 1.00 N ATOM 982 CA THR A 66 0.335 -3.714 7.377 1.00 1.00 C ATOM 983 C THR A 66 -0.168 -3.556 5.951 1.00 1.00 C ATOM 984 O THR A 66 -1.023 -2.718 5.672 1.00 1.00 O ATOM 985 CB THR A 66 -0.022 -5.107 7.899 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.310 -5.471 7.428 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.019 -5.099 9.428 1.00 1.00 C ATOM 0 H THR A 66 -1.267 -2.620 8.186 1.00 1.00 H new ATOM 0 HA THR A 66 1.418 -3.594 7.383 1.00 1.00 H new ATOM 0 HB THR A 66 0.713 -5.828 7.542 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.278 -6.376 7.053 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.274 -6.092 9.798 1.00 1.00 H new ATOM 0 HG22 THR A 66 0.971 -4.821 9.788 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.753 -4.378 9.790 1.00 1.00 H new ATOM 995 N ILE A 67 0.374 -4.364 5.049 1.00 1.00 N ATOM 996 CA ILE A 67 -0.024 -4.299 3.648 1.00 1.00 C ATOM 997 C ILE A 67 -1.508 -4.579 3.497 1.00 1.00 C ATOM 998 O ILE A 67 -2.202 -3.891 2.749 1.00 1.00 O ATOM 999 CB ILE A 67 0.778 -5.316 2.831 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.285 -5.051 2.992 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.379 -5.226 1.353 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.730 -3.961 2.003 1.00 1.00 C ATOM 0 H ILE A 67 1.084 -5.066 5.259 1.00 1.00 H new ATOM 0 HA ILE A 67 0.180 -3.294 3.279 1.00 1.00 H new ATOM 0 HB ILE A 67 0.559 -6.319 3.196 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.502 -4.739 4.014 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.846 -5.968 2.813 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.953 -5.952 0.776 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.685 -5.440 1.250 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.585 -4.222 0.981 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.798 -3.777 2.121 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.529 -4.291 0.984 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.179 -3.042 2.202 1.00 1.00 H new ATOM 1014 N GLN A 68 -1.991 -5.585 4.204 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.401 -5.936 4.133 1.00 1.00 C ATOM 1016 C GLN A 68 -4.271 -4.745 4.518 1.00 1.00 C ATOM 1017 O GLN A 68 -5.316 -4.510 3.909 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.687 -7.132 5.077 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.191 -8.330 4.268 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.603 -8.045 3.757 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.807 -7.887 2.478 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.542 -7.946 4.548 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.435 -6.169 4.829 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.642 -6.219 3.108 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.780 -7.404 5.618 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.430 -6.848 5.822 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.522 -8.523 3.430 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.192 -9.226 4.888 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.382 -8.070 5.548 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.480 -7.740 4.203 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.846 -4.015 5.539 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.605 -2.862 6.003 1.00 1.00 C ATOM 1033 C GLN A 69 -4.787 -1.864 4.866 1.00 1.00 C ATOM 1034 O GLN A 69 -5.879 -1.335 4.661 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.870 -2.193 7.162 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.650 -3.203 8.288 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.990 -3.697 8.815 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.865 -2.896 9.138 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.204 -4.978 8.915 1.00 1.00 N ATOM 0 H GLN A 69 -2.987 -4.198 6.058 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.585 -3.197 6.342 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.912 -1.802 6.820 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.447 -1.345 7.530 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.061 -4.044 7.923 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.080 -2.742 9.095 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.475 -5.639 8.646 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.100 -5.320 9.262 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.713 -1.618 4.123 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.770 -0.688 3.001 1.00 1.00 C ATOM 1050 C ALA A 70 -4.681 -1.230 1.904 1.00 1.00 C ATOM 1051 O ALA A 70 -5.417 -0.479 1.266 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.365 -0.464 2.436 1.00 1.00 C ATOM 0 H ALA A 70 -2.800 -2.046 4.275 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.173 0.260 3.358 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.416 0.232 1.598 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.722 -0.050 3.213 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.955 -1.414 2.094 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.623 -2.541 1.687 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.446 -3.172 0.661 1.00 1.00 C ATOM 1060 C ALA A 71 -6.923 -3.064 1.013 1.00 1.00 C ATOM 1061 O ALA A 71 -7.761 -2.860 0.141 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.059 -4.644 0.513 1.00 1.00 C ATOM 0 H ALA A 71 -4.020 -3.182 2.203 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.274 -2.655 -0.283 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.678 -5.108 -0.255 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.010 -4.717 0.226 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.213 -5.158 1.462 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.231 -3.205 2.299 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.614 -3.124 2.759 1.00 1.00 C ATOM 1070 C ASP A 72 -9.188 -1.737 2.487 1.00 1.00 C ATOM 1071 O ASP A 72 -10.341 -1.595 2.084 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.683 -3.423 4.257 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.130 -3.355 4.735 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.980 -2.993 3.939 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.366 -3.668 5.890 1.00 1.00 O ATOM 0 H ASP A 72 -6.547 -3.375 3.037 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.203 -3.861 2.214 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.271 -4.412 4.459 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.075 -2.706 4.808 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.379 -0.714 2.725 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.814 0.657 2.495 1.00 1.00 C ATOM 1082 C VAL A 73 -8.919 0.947 1.002 1.00 1.00 C ATOM 1083 O VAL A 73 -9.867 1.586 0.544 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.833 1.636 3.143 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.236 3.072 2.801 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.856 1.447 4.661 1.00 1.00 C ATOM 0 H VAL A 73 -7.425 -0.806 3.075 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.799 0.783 2.945 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.828 1.445 2.766 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.535 3.767 3.264 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.219 3.207 1.719 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.241 3.267 3.175 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.158 2.144 5.125 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.862 1.637 5.036 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.565 0.425 4.905 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.917 0.499 0.249 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.897 0.739 -1.187 1.00 1.00 C ATOM 1098 C ILE A 74 -9.049 0.025 -1.881 1.00 1.00 C ATOM 1099 O ILE A 74 -9.879 0.659 -2.522 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.567 0.247 -1.777 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.426 1.148 -1.291 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.631 0.290 -3.307 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.083 0.477 -1.588 1.00 1.00 C ATOM 0 H ILE A 74 -7.119 -0.026 0.606 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.004 1.811 -1.351 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.388 -0.778 -1.451 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.478 2.117 -1.787 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.524 1.332 -0.221 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.685 -0.060 -3.721 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.439 -0.353 -3.656 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.814 1.313 -3.635 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.272 1.118 -1.242 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.033 -0.482 -1.072 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.986 0.316 -2.662 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.089 -1.293 -1.745 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.137 -2.083 -2.379 1.00 1.00 C ATOM 1117 C GLU A 75 -11.503 -1.472 -2.107 1.00 1.00 C ATOM 1118 O GLU A 75 -12.404 -1.562 -2.936 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.096 -3.519 -1.850 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.480 -3.530 -0.362 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.998 -3.524 -0.204 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.659 -4.159 -1.006 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.476 -2.876 0.713 1.00 1.00 O ATOM 0 H GLU A 75 -8.414 -1.835 -1.206 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.966 -2.089 -3.455 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.783 -4.147 -2.418 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -9.098 -3.938 -1.982 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.061 -4.413 0.122 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.053 -2.660 0.137 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.650 -0.855 -0.939 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.915 -0.234 -0.567 1.00 1.00 C ATOM 1132 C GLY A 76 -13.254 0.916 -1.509 1.00 1.00 C ATOM 1133 O GLY A 76 -14.421 1.166 -1.805 1.00 1.00 O ATOM 0 H GLY A 76 -10.914 -0.772 -0.238 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.711 -0.978 -0.593 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.857 0.135 0.457 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.227 1.622 -1.964 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.424 2.745 -2.871 1.00 1.00 C ATOM 1139 C LEU A 77 -12.832 2.261 -4.254 1.00 1.00 C ATOM 1140 O LEU A 77 -13.661 2.881 -4.921 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.139 3.570 -2.967 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.868 4.249 -1.616 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.439 4.797 -1.601 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.863 5.403 -1.393 1.00 1.00 C ATOM 0 H LEU A 77 -11.254 1.438 -1.721 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.225 3.368 -2.475 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.301 2.928 -3.239 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.233 4.321 -3.752 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.990 3.517 -0.818 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.244 5.279 -0.643 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.734 3.978 -1.745 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.320 5.524 -2.404 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.661 5.877 -0.432 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.752 6.138 -2.190 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.881 5.012 -1.398 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.226 1.164 -4.691 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.526 0.623 -6.009 1.00 1.00 C ATOM 1158 C LEU A 78 -13.992 0.247 -6.123 1.00 1.00 C ATOM 1159 O LEU A 78 -14.641 0.569 -7.115 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.654 -0.625 -6.256 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.267 -0.195 -6.755 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.376 0.395 -8.178 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.682 0.858 -5.801 1.00 1.00 C ATOM 0 H LEU A 78 -11.533 0.638 -4.159 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.309 1.387 -6.756 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.558 -1.201 -5.336 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.131 -1.274 -6.991 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.611 -1.065 -6.782 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.387 0.697 -8.523 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.782 -0.358 -8.854 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.036 1.263 -8.163 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.697 1.163 -6.155 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.341 1.726 -5.769 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.592 0.433 -4.801 1.00 1.00 H new