USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 12 SER OG : rot -56:sc= 0.978 USER MOD Set 1.2: A 15 HIS : no HD1:sc= -5.02! C(o=-4!,f=-4.1!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 4 LYS NZ :NH3+ -123:sc= -0.102 (180deg=-0.591) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 93:sc= 1.17 USER MOD Single : A 24 GLN : amide:sc= -0.0203 K(o=-0.02,f=-0.54) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.65 USER MOD Single : A 38 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.657 K(o=-0.66,f=-1.8!) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= -0.173 (180deg=-0.71) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -70:sc= 0.403 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 26:sc= 1.02 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.91 K(o=-5.9,f=-20!) USER MOD Single : A 80 THR OG1 : rot 97:sc= 1.31 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -87:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.839 -0.286 8.216 1.00 0.00 N ATOM 12 CA GLN A 3 7.411 -0.013 7.849 1.00 0.00 C ATOM 13 C GLN A 3 7.187 1.498 7.774 1.00 0.00 C ATOM 14 O GLN A 3 8.006 2.279 8.220 1.00 0.00 O ATOM 15 CB GLN A 3 6.476 -0.603 8.914 1.00 0.00 C ATOM 16 CG GLN A 3 6.954 -0.193 10.309 1.00 0.00 C ATOM 17 CD GLN A 3 5.961 -0.689 11.359 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.665 -1.865 11.425 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.430 0.165 12.191 1.00 0.00 N ATOM 0 HA GLN A 3 7.197 -0.471 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.457 -0.252 8.751 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.456 -1.690 8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.942 -0.610 10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.049 0.891 10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 3 5.678 1.153 12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.767 -0.155 12.896 1.00 0.00 H new ATOM 28 N LYS A 4 6.074 1.913 7.222 1.00 0.00 N ATOM 29 CA LYS A 4 5.775 3.371 7.123 1.00 0.00 C ATOM 30 C LYS A 4 4.263 3.582 7.209 1.00 0.00 C ATOM 31 O LYS A 4 3.490 2.674 6.970 1.00 0.00 O ATOM 32 CB LYS A 4 6.290 3.915 5.786 1.00 0.00 C ATOM 33 CG LYS A 4 7.802 4.169 5.872 1.00 0.00 C ATOM 34 CD LYS A 4 8.126 5.570 5.340 1.00 0.00 C ATOM 35 CE LYS A 4 8.273 6.542 6.513 1.00 0.00 C ATOM 36 NZ LYS A 4 9.501 6.202 7.286 1.00 0.00 N ATOM 0 H LYS A 4 5.357 1.300 6.834 1.00 0.00 H new ATOM 0 HA LYS A 4 6.268 3.899 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.077 3.204 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.771 4.840 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.137 4.076 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.339 3.417 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.047 5.545 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.335 5.908 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.333 7.566 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.396 6.486 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.247 6.018 8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.944 5.354 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.170 6.997 7.242 1.00 0.00 H new ATOM 50 N THR A 5 3.837 4.771 7.550 1.00 0.00 N ATOM 51 CA THR A 5 2.374 5.045 7.654 1.00 0.00 C ATOM 52 C THR A 5 1.976 6.086 6.608 1.00 0.00 C ATOM 53 O THR A 5 2.468 7.198 6.610 1.00 0.00 O ATOM 54 CB THR A 5 2.049 5.577 9.051 1.00 0.00 C ATOM 55 OG1 THR A 5 2.767 4.828 10.021 1.00 0.00 O ATOM 56 CG2 THR A 5 0.547 5.447 9.312 1.00 0.00 C ATOM 0 H THR A 5 4.441 5.565 7.761 1.00 0.00 H new ATOM 0 HA THR A 5 1.820 4.123 7.480 1.00 0.00 H new ATOM 0 HB THR A 5 2.337 6.626 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.561 5.169 10.916 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.317 5.826 10.308 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.003 6.023 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.256 4.399 9.247 1.00 0.00 H new ATOM 64 N PHE A 6 1.089 5.730 5.714 1.00 0.00 N ATOM 65 CA PHE A 6 0.655 6.692 4.660 1.00 0.00 C ATOM 66 C PHE A 6 -0.752 7.201 4.977 1.00 0.00 C ATOM 67 O PHE A 6 -1.509 6.564 5.684 1.00 0.00 O ATOM 68 CB PHE A 6 0.648 5.991 3.301 1.00 0.00 C ATOM 69 CG PHE A 6 2.049 5.539 2.965 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.957 6.443 2.402 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.441 4.220 3.221 1.00 0.00 C ATOM 72 CE1 PHE A 6 4.257 6.028 2.094 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.742 3.804 2.912 1.00 0.00 C ATOM 74 CZ PHE A 6 4.650 4.709 2.348 1.00 0.00 C ATOM 0 H PHE A 6 0.646 4.812 5.670 1.00 0.00 H new ATOM 0 HA PHE A 6 1.347 7.534 4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.027 5.135 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.278 6.668 2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.654 7.461 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.740 3.523 3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.958 6.726 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.045 2.786 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.653 4.389 2.109 1.00 0.00 H new ATOM 84 N LYS A 7 -1.104 8.346 4.452 1.00 0.00 N ATOM 85 CA LYS A 7 -2.460 8.911 4.708 1.00 0.00 C ATOM 86 C LYS A 7 -3.181 9.105 3.375 1.00 0.00 C ATOM 87 O LYS A 7 -2.699 9.790 2.492 1.00 0.00 O ATOM 88 CB LYS A 7 -2.330 10.261 5.420 1.00 0.00 C ATOM 89 CG LYS A 7 -1.549 10.088 6.732 1.00 0.00 C ATOM 90 CD LYS A 7 -2.362 10.655 7.902 1.00 0.00 C ATOM 91 CE LYS A 7 -2.256 12.181 7.905 1.00 0.00 C ATOM 92 NZ LYS A 7 -2.676 12.705 9.235 1.00 0.00 N ATOM 0 H LYS A 7 -0.506 8.916 3.854 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.028 8.227 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.819 10.975 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.319 10.670 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.337 9.033 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.589 10.599 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.405 10.353 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.992 10.252 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.232 12.486 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.886 12.602 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.604 13.743 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.660 12.426 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.057 12.313 9.974 1.00 0.00 H new ATOM 106 N VAL A 8 -4.332 8.501 3.224 1.00 0.00 N ATOM 107 CA VAL A 8 -5.097 8.640 1.952 1.00 0.00 C ATOM 108 C VAL A 8 -6.018 9.856 2.046 1.00 0.00 C ATOM 109 O VAL A 8 -6.973 9.864 2.801 1.00 0.00 O ATOM 110 CB VAL A 8 -5.935 7.382 1.721 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.604 7.456 0.347 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.032 6.148 1.782 1.00 0.00 C ATOM 0 H VAL A 8 -4.775 7.915 3.932 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.404 8.771 1.121 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.701 7.311 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.201 6.559 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.249 8.334 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.839 7.529 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.630 5.251 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.265 6.220 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.557 6.093 2.762 1.00 0.00 H new ATOM 122 N THR A 9 -5.735 10.883 1.288 1.00 0.00 N ATOM 123 CA THR A 9 -6.586 12.107 1.325 1.00 0.00 C ATOM 124 C THR A 9 -7.365 12.237 0.012 1.00 0.00 C ATOM 125 O THR A 9 -8.414 12.850 -0.037 1.00 0.00 O ATOM 126 CB THR A 9 -5.699 13.340 1.515 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.784 13.102 2.576 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.571 14.551 1.850 1.00 0.00 C ATOM 0 H THR A 9 -4.947 10.926 0.642 1.00 0.00 H new ATOM 0 HA THR A 9 -7.289 12.031 2.155 1.00 0.00 H new ATOM 0 HB THR A 9 -5.147 13.538 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.214 13.889 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.939 15.428 1.985 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.272 14.731 1.035 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.125 14.358 2.769 1.00 0.00 H new ATOM 136 N ALA A 10 -6.858 11.665 -1.056 1.00 0.00 N ATOM 137 CA ALA A 10 -7.563 11.755 -2.370 1.00 0.00 C ATOM 138 C ALA A 10 -8.959 11.137 -2.258 1.00 0.00 C ATOM 139 O ALA A 10 -9.170 10.185 -1.529 1.00 0.00 O ATOM 140 CB ALA A 10 -6.757 10.999 -3.428 1.00 0.00 C ATOM 0 H ALA A 10 -5.984 11.139 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.658 12.803 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.268 11.062 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.765 11.442 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.663 9.953 -3.135 1.00 0.00 H new ATOM 146 N ASP A 11 -9.911 11.675 -2.977 1.00 0.00 N ATOM 147 CA ASP A 11 -11.299 11.131 -2.924 1.00 0.00 C ATOM 148 C ASP A 11 -11.307 9.704 -3.478 1.00 0.00 C ATOM 149 O ASP A 11 -10.320 9.244 -4.016 1.00 0.00 O ATOM 150 CB ASP A 11 -12.232 12.019 -3.760 1.00 0.00 C ATOM 151 CG ASP A 11 -11.762 12.069 -5.223 1.00 0.00 C ATOM 152 OD1 ASP A 11 -10.610 11.752 -5.475 1.00 0.00 O ATOM 153 OD2 ASP A 11 -12.569 12.425 -6.066 1.00 0.00 O ATOM 0 H ASP A 11 -9.784 12.472 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.647 11.119 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.250 11.633 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.253 13.026 -3.344 1.00 0.00 H new ATOM 158 N SER A 12 -12.421 9.013 -3.342 1.00 0.00 N ATOM 159 CA SER A 12 -12.564 7.595 -3.840 1.00 0.00 C ATOM 160 C SER A 12 -12.023 6.607 -2.794 1.00 0.00 C ATOM 161 O SER A 12 -12.660 5.614 -2.492 1.00 0.00 O ATOM 162 CB SER A 12 -11.850 7.388 -5.193 1.00 0.00 C ATOM 163 OG SER A 12 -10.502 6.980 -4.980 1.00 0.00 O ATOM 0 H SER A 12 -13.260 9.382 -2.895 1.00 0.00 H new ATOM 0 HA SER A 12 -13.626 7.405 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.377 6.635 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.871 8.313 -5.769 1.00 0.00 H new ATOM 0 HG SER A 12 -10.048 7.636 -4.411 1.00 0.00 H new ATOM 169 N GLY A 13 -10.864 6.864 -2.237 1.00 0.00 N ATOM 170 CA GLY A 13 -10.297 5.938 -1.216 1.00 0.00 C ATOM 171 C GLY A 13 -9.292 4.996 -1.879 1.00 0.00 C ATOM 172 O GLY A 13 -8.351 5.429 -2.517 1.00 0.00 O ATOM 0 H GLY A 13 -10.287 7.678 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.809 6.508 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.096 5.363 -0.749 1.00 0.00 H new ATOM 176 N ILE A 14 -9.488 3.710 -1.731 1.00 0.00 N ATOM 177 CA ILE A 14 -8.549 2.729 -2.350 1.00 0.00 C ATOM 178 C ILE A 14 -9.350 1.677 -3.119 1.00 0.00 C ATOM 179 O ILE A 14 -10.078 0.893 -2.542 1.00 0.00 O ATOM 180 CB ILE A 14 -7.726 2.052 -1.252 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.044 3.126 -0.396 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.661 1.157 -1.888 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.430 2.488 0.857 1.00 0.00 C ATOM 0 H ILE A 14 -10.260 3.298 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.878 3.245 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.382 1.446 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.269 3.627 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.769 3.888 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.075 0.675 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.144 0.395 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.004 1.762 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.948 3.259 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.214 2.008 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.691 1.743 0.561 1.00 0.00 H new ATOM 195 N HIS A 15 -9.220 1.662 -4.421 1.00 0.00 N ATOM 196 CA HIS A 15 -9.972 0.667 -5.249 1.00 0.00 C ATOM 197 C HIS A 15 -8.975 -0.219 -6.012 1.00 0.00 C ATOM 198 O HIS A 15 -7.790 -0.204 -5.737 1.00 0.00 O ATOM 199 CB HIS A 15 -10.924 1.386 -6.236 1.00 0.00 C ATOM 200 CG HIS A 15 -10.366 2.720 -6.671 1.00 0.00 C ATOM 201 ND1 HIS A 15 -9.947 2.959 -7.969 1.00 0.00 N ATOM 202 CD2 HIS A 15 -10.170 3.898 -5.991 1.00 0.00 C ATOM 203 CE1 HIS A 15 -9.524 4.235 -8.030 1.00 0.00 C ATOM 204 NE2 HIS A 15 -9.638 4.853 -6.851 1.00 0.00 N ATOM 0 H HIS A 15 -8.623 2.298 -4.950 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.578 0.043 -4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.087 0.756 -7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.895 1.533 -5.764 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.395 4.058 -4.947 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.139 4.703 -8.924 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.389 5.817 -6.629 1.00 0.00 H new ATOM 212 N ALA A 16 -9.448 -1.008 -6.946 1.00 0.00 N ATOM 213 CA ALA A 16 -8.536 -1.916 -7.709 1.00 0.00 C ATOM 214 C ALA A 16 -7.564 -1.116 -8.588 1.00 0.00 C ATOM 215 O ALA A 16 -6.521 -1.617 -8.963 1.00 0.00 O ATOM 216 CB ALA A 16 -9.374 -2.836 -8.596 1.00 0.00 C ATOM 0 H ALA A 16 -10.431 -1.062 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.954 -2.499 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.716 -3.501 -9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.045 -3.429 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.960 -2.236 -9.292 1.00 0.00 H new ATOM 222 N ARG A 17 -7.892 0.107 -8.934 1.00 0.00 N ATOM 223 CA ARG A 17 -6.970 0.905 -9.804 1.00 0.00 C ATOM 224 C ARG A 17 -5.635 1.158 -9.056 1.00 0.00 C ATOM 225 O ARG A 17 -4.598 0.749 -9.542 1.00 0.00 O ATOM 226 CB ARG A 17 -7.662 2.218 -10.232 1.00 0.00 C ATOM 227 CG ARG A 17 -6.659 3.178 -10.885 1.00 0.00 C ATOM 228 CD ARG A 17 -7.413 4.213 -11.722 1.00 0.00 C ATOM 229 NE ARG A 17 -7.519 3.731 -13.128 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.495 4.147 -13.887 1.00 0.00 C ATOM 231 NH1 ARG A 17 -9.733 3.966 -13.517 1.00 0.00 N ATOM 232 NH2 ARG A 17 -8.232 4.744 -15.018 1.00 0.00 N ATOM 0 H ARG A 17 -8.750 0.583 -8.655 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.736 0.350 -10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.469 1.997 -10.931 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.115 2.695 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.065 3.677 -10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.964 2.622 -11.515 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.407 4.378 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.892 5.170 -11.692 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.829 3.076 -13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.938 3.499 -12.634 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.496 4.292 -14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.264 4.885 -15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.994 5.070 -15.612 1.00 0.00 H new ATOM 246 N PRO A 18 -5.671 1.795 -7.895 1.00 0.00 N ATOM 247 CA PRO A 18 -4.436 2.043 -7.123 1.00 0.00 C ATOM 248 C PRO A 18 -3.891 0.731 -6.545 1.00 0.00 C ATOM 249 O PRO A 18 -2.732 0.639 -6.192 1.00 0.00 O ATOM 250 CB PRO A 18 -4.878 2.996 -6.010 1.00 0.00 C ATOM 251 CG PRO A 18 -6.402 2.807 -5.866 1.00 0.00 C ATOM 252 CD PRO A 18 -6.896 2.314 -7.237 1.00 0.00 C ATOM 0 HA PRO A 18 -3.633 2.461 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.367 2.767 -5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.635 4.028 -6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.634 2.084 -5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.887 3.743 -5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.653 1.537 -7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.347 3.122 -7.813 1.00 0.00 H new ATOM 260 N ALA A 19 -4.716 -0.287 -6.451 1.00 0.00 N ATOM 261 CA ALA A 19 -4.244 -1.593 -5.906 1.00 0.00 C ATOM 262 C ALA A 19 -3.412 -2.321 -6.967 1.00 0.00 C ATOM 263 O ALA A 19 -2.554 -3.123 -6.648 1.00 0.00 O ATOM 264 CB ALA A 19 -5.451 -2.455 -5.531 1.00 0.00 C ATOM 0 H ALA A 19 -5.697 -0.265 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.632 -1.416 -5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.107 -3.409 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.045 -1.940 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.062 -2.631 -6.416 1.00 0.00 H new ATOM 270 N THR A 20 -3.661 -2.049 -8.225 1.00 0.00 N ATOM 271 CA THR A 20 -2.888 -2.722 -9.310 1.00 0.00 C ATOM 272 C THR A 20 -1.534 -2.030 -9.470 1.00 0.00 C ATOM 273 O THR A 20 -0.534 -2.662 -9.760 1.00 0.00 O ATOM 274 CB THR A 20 -3.665 -2.633 -10.626 1.00 0.00 C ATOM 275 OG1 THR A 20 -5.004 -3.056 -10.413 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.004 -3.531 -11.672 1.00 0.00 C ATOM 0 H THR A 20 -4.368 -1.388 -8.546 1.00 0.00 H new ATOM 0 HA THR A 20 -2.736 -3.770 -9.051 1.00 0.00 H new ATOM 0 HB THR A 20 -3.662 -1.603 -10.981 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.563 -2.279 -10.203 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.558 -3.467 -12.609 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.977 -3.205 -11.835 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.005 -4.562 -11.319 1.00 0.00 H new ATOM 284 N VAL A 21 -1.494 -0.737 -9.280 1.00 0.00 N ATOM 285 CA VAL A 21 -0.204 0.003 -9.412 1.00 0.00 C ATOM 286 C VAL A 21 0.640 -0.226 -8.154 1.00 0.00 C ATOM 287 O VAL A 21 1.857 -0.210 -8.201 1.00 0.00 O ATOM 288 CB VAL A 21 -0.487 1.497 -9.575 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.822 2.236 -9.856 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.452 1.708 -10.744 1.00 0.00 C ATOM 0 H VAL A 21 -2.300 -0.161 -9.039 1.00 0.00 H new ATOM 0 HA VAL A 21 0.338 -0.358 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.934 1.884 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.621 3.301 -9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.511 2.085 -9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.269 1.849 -10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.654 2.773 -10.861 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.005 1.321 -11.659 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.385 1.181 -10.545 1.00 0.00 H new ATOM 300 N LEU A 22 0.001 -0.443 -7.032 1.00 0.00 N ATOM 301 CA LEU A 22 0.752 -0.676 -5.764 1.00 0.00 C ATOM 302 C LEU A 22 1.322 -2.095 -5.761 1.00 0.00 C ATOM 303 O LEU A 22 2.439 -2.323 -5.336 1.00 0.00 O ATOM 304 CB LEU A 22 -0.196 -0.507 -4.574 1.00 0.00 C ATOM 305 CG LEU A 22 -0.283 0.972 -4.196 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.409 1.174 -3.179 1.00 0.00 C ATOM 307 CD2 LEU A 22 1.045 1.418 -3.581 1.00 0.00 C ATOM 0 H LEU A 22 -1.015 -0.469 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 22 1.567 0.043 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.186 -0.887 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.162 -1.090 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.489 1.564 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.471 2.228 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.355 0.855 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.204 0.583 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.985 2.472 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.250 0.826 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.848 1.274 -4.304 1.00 0.00 H new ATOM 319 N VAL A 23 0.561 -3.051 -6.231 1.00 0.00 N ATOM 320 CA VAL A 23 1.047 -4.461 -6.260 1.00 0.00 C ATOM 321 C VAL A 23 2.232 -4.573 -7.229 1.00 0.00 C ATOM 322 O VAL A 23 3.123 -5.381 -7.044 1.00 0.00 O ATOM 323 CB VAL A 23 -0.099 -5.384 -6.710 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.572 -4.983 -8.108 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.378 -6.841 -6.729 1.00 0.00 C ATOM 0 H VAL A 23 -0.381 -2.913 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 23 1.375 -4.761 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.926 -5.286 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.383 -5.641 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.927 -3.952 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.256 -5.070 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.439 -7.487 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.213 -6.942 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.700 -7.131 -5.729 1.00 0.00 H new ATOM 335 N GLN A 24 2.238 -3.769 -8.260 1.00 0.00 N ATOM 336 CA GLN A 24 3.354 -3.820 -9.251 1.00 0.00 C ATOM 337 C GLN A 24 4.653 -3.349 -8.592 1.00 0.00 C ATOM 338 O GLN A 24 5.697 -3.948 -8.766 1.00 0.00 O ATOM 339 CB GLN A 24 3.024 -2.908 -10.435 1.00 0.00 C ATOM 340 CG GLN A 24 2.170 -3.673 -11.447 1.00 0.00 C ATOM 341 CD GLN A 24 1.767 -2.738 -12.589 1.00 0.00 C ATOM 342 OE1 GLN A 24 2.550 -1.915 -13.020 1.00 0.00 O ATOM 343 NE2 GLN A 24 0.569 -2.829 -13.100 1.00 0.00 N ATOM 0 H GLN A 24 1.516 -3.077 -8.459 1.00 0.00 H new ATOM 0 HA GLN A 24 3.479 -4.845 -9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.490 -2.023 -10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.943 -2.561 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.728 -4.523 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.281 -4.072 -10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.089 -3.520 -12.738 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.291 -2.209 -13.861 1.00 0.00 H new ATOM 352 N THR A 25 4.594 -2.279 -7.841 1.00 0.00 N ATOM 353 CA THR A 25 5.822 -1.759 -7.171 1.00 0.00 C ATOM 354 C THR A 25 6.322 -2.776 -6.141 1.00 0.00 C ATOM 355 O THR A 25 7.511 -2.979 -5.986 1.00 0.00 O ATOM 356 CB THR A 25 5.498 -0.440 -6.466 1.00 0.00 C ATOM 357 OG1 THR A 25 4.727 0.381 -7.332 1.00 0.00 O ATOM 358 CG2 THR A 25 6.798 0.277 -6.103 1.00 0.00 C ATOM 0 H THR A 25 3.745 -1.742 -7.663 1.00 0.00 H new ATOM 0 HA THR A 25 6.597 -1.594 -7.920 1.00 0.00 H new ATOM 0 HB THR A 25 4.931 -0.642 -5.557 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.517 1.226 -6.881 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.567 1.217 -5.601 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.388 -0.354 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.367 0.481 -7.010 1.00 0.00 H new ATOM 366 N ALA A 26 5.421 -3.412 -5.437 1.00 0.00 N ATOM 367 CA ALA A 26 5.830 -4.416 -4.411 1.00 0.00 C ATOM 368 C ALA A 26 6.452 -5.638 -5.095 1.00 0.00 C ATOM 369 O ALA A 26 7.258 -6.339 -4.511 1.00 0.00 O ATOM 370 CB ALA A 26 4.603 -4.852 -3.610 1.00 0.00 C ATOM 0 H ALA A 26 4.414 -3.278 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 26 6.565 -3.967 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.900 -5.585 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.164 -3.985 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.869 -5.297 -4.282 1.00 0.00 H new ATOM 376 N SER A 27 6.079 -5.903 -6.322 1.00 0.00 N ATOM 377 CA SER A 27 6.642 -7.082 -7.045 1.00 0.00 C ATOM 378 C SER A 27 8.145 -6.887 -7.268 1.00 0.00 C ATOM 379 O SER A 27 8.888 -7.844 -7.388 1.00 0.00 O ATOM 380 CB SER A 27 5.942 -7.230 -8.396 1.00 0.00 C ATOM 381 OG SER A 27 6.264 -8.497 -8.955 1.00 0.00 O ATOM 0 H SER A 27 5.407 -5.351 -6.855 1.00 0.00 H new ATOM 0 HA SER A 27 6.482 -7.980 -6.448 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.863 -7.138 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.254 -6.432 -9.070 1.00 0.00 H new ATOM 0 HG SER A 27 5.816 -8.596 -9.821 1.00 0.00 H new ATOM 387 N LYS A 28 8.597 -5.660 -7.329 1.00 0.00 N ATOM 388 CA LYS A 28 10.051 -5.401 -7.549 1.00 0.00 C ATOM 389 C LYS A 28 10.853 -5.834 -6.317 1.00 0.00 C ATOM 390 O LYS A 28 12.028 -6.137 -6.411 1.00 0.00 O ATOM 391 CB LYS A 28 10.269 -3.907 -7.795 1.00 0.00 C ATOM 392 CG LYS A 28 9.656 -3.514 -9.143 1.00 0.00 C ATOM 393 CD LYS A 28 10.741 -3.516 -10.222 1.00 0.00 C ATOM 394 CE LYS A 28 11.645 -2.295 -10.040 1.00 0.00 C ATOM 395 NZ LYS A 28 12.627 -2.233 -11.158 1.00 0.00 N ATOM 0 H LYS A 28 8.019 -4.825 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 28 10.388 -5.971 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.813 -3.326 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.335 -3.679 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.862 -4.212 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.201 -2.526 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.330 -4.431 -10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.284 -3.499 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.045 -1.385 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.168 -2.355 -9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.242 -1.403 -11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.207 -3.096 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.119 -2.156 -12.062 1.00 0.00 H new ATOM 409 N TYR A 29 10.231 -5.860 -5.162 1.00 0.00 N ATOM 410 CA TYR A 29 10.961 -6.266 -3.923 1.00 0.00 C ATOM 411 C TYR A 29 10.456 -7.630 -3.449 1.00 0.00 C ATOM 412 O TYR A 29 9.266 -7.880 -3.403 1.00 0.00 O ATOM 413 CB TYR A 29 10.725 -5.221 -2.830 1.00 0.00 C ATOM 414 CG TYR A 29 11.107 -3.858 -3.356 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.198 -3.130 -4.131 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.372 -3.327 -3.075 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.553 -1.871 -4.627 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.727 -2.067 -3.569 1.00 0.00 C ATOM 419 CZ TYR A 29 11.817 -1.339 -4.346 1.00 0.00 C ATOM 420 OH TYR A 29 12.169 -0.098 -4.837 1.00 0.00 O ATOM 0 H TYR A 29 9.250 -5.617 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 29 12.028 -6.335 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.679 -5.226 -2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.316 -5.462 -1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.222 -3.540 -4.346 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.073 -3.890 -2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.852 -1.310 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.702 -1.656 -3.351 1.00 0.00 H new ATOM 0 HH TYR A 29 13.079 0.122 -4.548 1.00 0.00 H new ATOM 430 N ASP A 30 11.357 -8.512 -3.098 1.00 0.00 N ATOM 431 CA ASP A 30 10.946 -9.867 -2.625 1.00 0.00 C ATOM 432 C ASP A 30 10.427 -9.798 -1.180 1.00 0.00 C ATOM 433 O ASP A 30 9.902 -10.767 -0.665 1.00 0.00 O ATOM 434 CB ASP A 30 12.151 -10.809 -2.684 1.00 0.00 C ATOM 435 CG ASP A 30 12.420 -11.205 -4.137 1.00 0.00 C ATOM 436 OD1 ASP A 30 13.166 -10.498 -4.794 1.00 0.00 O ATOM 437 OD2 ASP A 30 11.876 -12.208 -4.568 1.00 0.00 O ATOM 0 H ASP A 30 12.364 -8.350 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 30 10.148 -10.238 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.029 -10.320 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.960 -11.698 -2.083 1.00 0.00 H new ATOM 442 N ALA A 31 10.565 -8.669 -0.520 1.00 0.00 N ATOM 443 CA ALA A 31 10.077 -8.555 0.887 1.00 0.00 C ATOM 444 C ALA A 31 8.563 -8.782 0.926 1.00 0.00 C ATOM 445 O ALA A 31 7.890 -8.697 -0.083 1.00 0.00 O ATOM 446 CB ALA A 31 10.397 -7.159 1.425 1.00 0.00 C ATOM 0 H ALA A 31 10.995 -7.825 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 31 10.571 -9.306 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.041 -7.074 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.475 -6.998 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.903 -6.409 0.807 1.00 0.00 H new ATOM 452 N ASP A 32 8.029 -9.074 2.084 1.00 0.00 N ATOM 453 CA ASP A 32 6.560 -9.311 2.199 1.00 0.00 C ATOM 454 C ASP A 32 5.850 -7.991 2.504 1.00 0.00 C ATOM 455 O ASP A 32 5.827 -7.535 3.632 1.00 0.00 O ATOM 456 CB ASP A 32 6.293 -10.309 3.327 1.00 0.00 C ATOM 457 CG ASP A 32 6.591 -11.727 2.836 1.00 0.00 C ATOM 458 OD1 ASP A 32 6.183 -12.047 1.731 1.00 0.00 O ATOM 459 OD2 ASP A 32 7.221 -12.468 3.572 1.00 0.00 O ATOM 0 H ASP A 32 8.549 -9.159 2.957 1.00 0.00 H new ATOM 0 HA ASP A 32 6.182 -9.715 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.916 -10.073 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.255 -10.236 3.653 1.00 0.00 H new ATOM 464 N VAL A 33 5.269 -7.378 1.505 1.00 0.00 N ATOM 465 CA VAL A 33 4.554 -6.086 1.722 1.00 0.00 C ATOM 466 C VAL A 33 3.090 -6.371 2.067 1.00 0.00 C ATOM 467 O VAL A 33 2.371 -6.982 1.299 1.00 0.00 O ATOM 468 CB VAL A 33 4.627 -5.242 0.446 1.00 0.00 C ATOM 469 CG1 VAL A 33 3.998 -3.871 0.700 1.00 0.00 C ATOM 470 CG2 VAL A 33 6.091 -5.062 0.038 1.00 0.00 C ATOM 0 H VAL A 33 5.259 -7.719 0.544 1.00 0.00 H new ATOM 0 HA VAL A 33 5.022 -5.541 2.542 1.00 0.00 H new ATOM 0 HB VAL A 33 4.084 -5.747 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.051 -3.272 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.955 -3.997 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.539 -3.365 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.144 -4.461 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.633 -4.558 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.540 -6.038 -0.146 1.00 0.00 H new ATOM 480 N ASN A 34 2.645 -5.934 3.219 1.00 0.00 N ATOM 481 CA ASN A 34 1.228 -6.179 3.622 1.00 0.00 C ATOM 482 C ASN A 34 0.557 -4.849 3.976 1.00 0.00 C ATOM 483 O ASN A 34 1.203 -3.921 4.426 1.00 0.00 O ATOM 484 CB ASN A 34 1.195 -7.102 4.844 1.00 0.00 C ATOM 485 CG ASN A 34 2.035 -8.352 4.571 1.00 0.00 C ATOM 486 OD1 ASN A 34 3.168 -8.443 5.004 1.00 0.00 O ATOM 487 ND2 ASN A 34 1.526 -9.326 3.867 1.00 0.00 N ATOM 0 H ASN A 34 3.204 -5.417 3.898 1.00 0.00 H new ATOM 0 HA ASN A 34 0.695 -6.648 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.580 -6.577 5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.167 -7.385 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.078 -10.163 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.576 -9.250 3.504 1.00 0.00 H new ATOM 494 N LEU A 35 -0.733 -4.757 3.778 1.00 0.00 N ATOM 495 CA LEU A 35 -1.457 -3.493 4.105 1.00 0.00 C ATOM 496 C LEU A 35 -2.349 -3.723 5.326 1.00 0.00 C ATOM 497 O LEU A 35 -3.120 -4.663 5.373 1.00 0.00 O ATOM 498 CB LEU A 35 -2.321 -3.075 2.913 1.00 0.00 C ATOM 499 CG LEU A 35 -2.898 -1.682 3.166 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.775 -0.645 3.104 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.946 -1.364 2.097 1.00 0.00 C ATOM 0 H LEU A 35 -1.317 -5.505 3.403 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.736 -2.705 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.725 -3.073 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.128 -3.793 2.765 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.363 -1.654 4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.186 0.348 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.028 -0.872 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.309 -0.671 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.359 -0.371 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.481 -1.392 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.746 -2.103 2.141 1.00 0.00 H new ATOM 513 N GLU A 36 -2.244 -2.873 6.315 1.00 0.00 N ATOM 514 CA GLU A 36 -3.078 -3.037 7.543 1.00 0.00 C ATOM 515 C GLU A 36 -4.096 -1.896 7.630 1.00 0.00 C ATOM 516 O GLU A 36 -3.736 -0.736 7.684 1.00 0.00 O ATOM 517 CB GLU A 36 -2.176 -3.009 8.777 1.00 0.00 C ATOM 518 CG GLU A 36 -2.963 -3.496 9.996 1.00 0.00 C ATOM 519 CD GLU A 36 -3.717 -2.320 10.620 1.00 0.00 C ATOM 520 OE1 GLU A 36 -3.080 -1.520 11.284 1.00 0.00 O ATOM 521 OE2 GLU A 36 -4.919 -2.241 10.424 1.00 0.00 O ATOM 0 H GLU A 36 -1.615 -2.070 6.325 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.606 -3.990 7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.304 -3.643 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.808 -1.997 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.665 -4.276 9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.285 -3.936 10.727 1.00 0.00 H new ATOM 528 N TYR A 37 -5.363 -2.223 7.648 1.00 0.00 N ATOM 529 CA TYR A 37 -6.414 -1.165 7.735 1.00 0.00 C ATOM 530 C TYR A 37 -7.627 -1.701 8.502 1.00 0.00 C ATOM 531 O TYR A 37 -8.068 -2.813 8.286 1.00 0.00 O ATOM 532 CB TYR A 37 -6.848 -0.755 6.328 1.00 0.00 C ATOM 533 CG TYR A 37 -7.676 0.501 6.417 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.057 1.729 6.669 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.064 0.436 6.254 1.00 0.00 C ATOM 536 CE1 TYR A 37 -7.824 2.894 6.758 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.834 1.602 6.342 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.214 2.832 6.594 1.00 0.00 C ATOM 539 OH TYR A 37 -9.972 3.982 6.682 1.00 0.00 O ATOM 0 H TYR A 37 -5.715 -3.179 7.606 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.006 -0.300 8.259 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.974 -0.586 5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.425 -1.555 5.864 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.985 1.777 6.795 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.541 -0.513 6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.345 3.842 6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.905 1.553 6.216 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.917 3.762 6.543 1.00 0.00 H new ATOM 549 N ASN A 38 -8.171 -0.909 9.392 1.00 0.00 N ATOM 550 CA ASN A 38 -9.363 -1.348 10.182 1.00 0.00 C ATOM 551 C ASN A 38 -9.028 -2.611 10.982 1.00 0.00 C ATOM 552 O ASN A 38 -9.844 -3.504 11.116 1.00 0.00 O ATOM 553 CB ASN A 38 -10.528 -1.639 9.231 1.00 0.00 C ATOM 554 CG ASN A 38 -11.845 -1.596 10.008 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.629 -2.521 9.949 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.123 -0.551 10.740 1.00 0.00 N ATOM 0 H ASN A 38 -7.838 0.031 9.607 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.644 -0.553 10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.545 -0.905 8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.398 -2.618 8.769 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.999 -0.512 11.262 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.465 0.226 10.790 1.00 0.00 H new ATOM 563 N GLY A 39 -7.837 -2.687 11.522 1.00 0.00 N ATOM 564 CA GLY A 39 -7.444 -3.886 12.323 1.00 0.00 C ATOM 565 C GLY A 39 -7.504 -5.139 11.452 1.00 0.00 C ATOM 566 O GLY A 39 -7.745 -6.230 11.935 1.00 0.00 O ATOM 0 H GLY A 39 -7.118 -1.968 11.442 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.436 -3.755 12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.110 -3.996 13.179 1.00 0.00 H new ATOM 570 N LYS A 40 -7.274 -4.990 10.176 1.00 0.00 N ATOM 571 CA LYS A 40 -7.299 -6.167 9.266 1.00 0.00 C ATOM 572 C LYS A 40 -5.957 -6.266 8.550 1.00 0.00 C ATOM 573 O LYS A 40 -5.342 -5.269 8.225 1.00 0.00 O ATOM 574 CB LYS A 40 -8.415 -6.008 8.233 1.00 0.00 C ATOM 575 CG LYS A 40 -9.746 -5.765 8.948 1.00 0.00 C ATOM 576 CD LYS A 40 -10.904 -6.117 8.012 1.00 0.00 C ATOM 577 CE LYS A 40 -11.373 -7.548 8.287 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.857 -7.618 8.155 1.00 0.00 N ATOM 0 H LYS A 40 -7.069 -4.099 9.724 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.481 -7.071 9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.191 -5.175 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.481 -6.903 7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.800 -6.370 9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.819 -4.722 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.728 -5.419 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.587 -6.021 6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.902 -8.238 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.071 -7.855 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.177 -8.590 8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.297 -6.971 8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.133 -7.342 7.191 1.00 0.00 H new ATOM 592 N THR A 41 -5.498 -7.459 8.307 1.00 0.00 N ATOM 593 CA THR A 41 -4.189 -7.633 7.613 1.00 0.00 C ATOM 594 C THR A 41 -4.382 -8.476 6.351 1.00 0.00 C ATOM 595 O THR A 41 -4.813 -9.612 6.412 1.00 0.00 O ATOM 596 CB THR A 41 -3.203 -8.335 8.550 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.355 -7.821 9.866 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.773 -8.087 8.066 1.00 0.00 C ATOM 0 H THR A 41 -5.973 -8.326 8.559 1.00 0.00 H new ATOM 0 HA THR A 41 -3.795 -6.655 7.336 1.00 0.00 H new ATOM 0 HB THR A 41 -3.403 -9.406 8.553 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.726 -8.271 10.468 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.071 -8.587 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.657 -8.481 7.056 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.571 -7.016 8.063 1.00 0.00 H new ATOM 606 N VAL A 42 -4.062 -7.925 5.209 1.00 0.00 N ATOM 607 CA VAL A 42 -4.218 -8.685 3.929 1.00 0.00 C ATOM 608 C VAL A 42 -2.935 -8.529 3.110 1.00 0.00 C ATOM 609 O VAL A 42 -2.025 -7.821 3.502 1.00 0.00 O ATOM 610 CB VAL A 42 -5.411 -8.147 3.112 1.00 0.00 C ATOM 611 CG1 VAL A 42 -5.957 -9.258 2.212 1.00 0.00 C ATOM 612 CG2 VAL A 42 -6.537 -7.666 4.041 1.00 0.00 C ATOM 0 H VAL A 42 -3.698 -6.978 5.106 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.404 -9.734 4.159 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.063 -7.308 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.800 -8.878 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.174 -9.593 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.287 -10.095 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.367 -7.291 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.880 -8.497 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.163 -6.868 4.683 1.00 0.00 H new ATOM 622 N ASN A 43 -2.853 -9.181 1.979 1.00 0.00 N ATOM 623 CA ASN A 43 -1.629 -9.071 1.132 1.00 0.00 C ATOM 624 C ASN A 43 -1.706 -7.795 0.291 1.00 0.00 C ATOM 625 O ASN A 43 -2.656 -7.579 -0.437 1.00 0.00 O ATOM 626 CB ASN A 43 -1.541 -10.286 0.206 1.00 0.00 C ATOM 627 CG ASN A 43 -0.139 -10.365 -0.400 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.824 -9.946 0.210 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.016 -10.887 -1.586 1.00 0.00 N ATOM 0 H ASN A 43 -3.584 -9.787 1.605 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.746 -9.034 1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.760 -11.197 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.287 -10.208 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.946 -10.943 -2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.793 -11.239 -2.098 1.00 0.00 H new ATOM 636 N LEU A 44 -0.711 -6.949 0.388 1.00 0.00 N ATOM 637 CA LEU A 44 -0.719 -5.683 -0.404 1.00 0.00 C ATOM 638 C LEU A 44 -0.740 -6.001 -1.905 1.00 0.00 C ATOM 639 O LEU A 44 -1.100 -5.165 -2.713 1.00 0.00 O ATOM 640 CB LEU A 44 0.532 -4.865 -0.074 1.00 0.00 C ATOM 641 CG LEU A 44 0.368 -3.437 -0.611 1.00 0.00 C ATOM 642 CD1 LEU A 44 0.944 -2.439 0.394 1.00 0.00 C ATOM 643 CD2 LEU A 44 1.111 -3.302 -1.943 1.00 0.00 C ATOM 0 H LEU A 44 0.107 -7.082 0.983 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.610 -5.110 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.691 -4.843 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.412 -5.332 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.691 -3.229 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.826 -1.426 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.415 -2.531 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.003 -2.647 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.994 -2.287 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.170 -3.513 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.699 -4.009 -2.663 1.00 0.00 H new ATOM 655 N LYS A 45 -0.360 -7.198 -2.286 1.00 0.00 N ATOM 656 CA LYS A 45 -0.364 -7.565 -3.732 1.00 0.00 C ATOM 657 C LYS A 45 -1.677 -8.278 -4.075 1.00 0.00 C ATOM 658 O LYS A 45 -1.692 -9.257 -4.798 1.00 0.00 O ATOM 659 CB LYS A 45 0.820 -8.495 -4.024 1.00 0.00 C ATOM 660 CG LYS A 45 2.135 -7.736 -3.813 1.00 0.00 C ATOM 661 CD LYS A 45 2.728 -8.103 -2.449 1.00 0.00 C ATOM 662 CE LYS A 45 3.722 -9.255 -2.617 1.00 0.00 C ATOM 663 NZ LYS A 45 4.913 -8.778 -3.377 1.00 0.00 N ATOM 0 H LYS A 45 -0.047 -7.935 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.275 -6.664 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.782 -9.365 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.762 -8.864 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.841 -7.984 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.959 -6.662 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.228 -7.238 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.933 -8.392 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.027 -9.631 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.249 -10.084 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.756 -9.303 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.762 -8.935 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.053 -7.763 -3.201 1.00 0.00 H new ATOM 677 N SER A 46 -2.778 -7.791 -3.558 1.00 0.00 N ATOM 678 CA SER A 46 -4.096 -8.428 -3.843 1.00 0.00 C ATOM 679 C SER A 46 -5.069 -7.367 -4.361 1.00 0.00 C ATOM 680 O SER A 46 -5.203 -6.303 -3.785 1.00 0.00 O ATOM 681 CB SER A 46 -4.650 -9.040 -2.557 1.00 0.00 C ATOM 682 OG SER A 46 -5.535 -10.103 -2.885 1.00 0.00 O ATOM 0 H SER A 46 -2.818 -6.975 -2.948 1.00 0.00 H new ATOM 0 HA SER A 46 -3.972 -9.208 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.834 -9.410 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.174 -8.281 -1.976 1.00 0.00 H new ATOM 0 HG SER A 46 -5.890 -10.498 -2.062 1.00 0.00 H new ATOM 688 N ILE A 47 -5.750 -7.651 -5.441 1.00 0.00 N ATOM 689 CA ILE A 47 -6.719 -6.664 -6.003 1.00 0.00 C ATOM 690 C ILE A 47 -8.111 -6.947 -5.439 1.00 0.00 C ATOM 691 O ILE A 47 -8.883 -6.042 -5.184 1.00 0.00 O ATOM 692 CB ILE A 47 -6.765 -6.790 -7.528 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.339 -6.734 -8.099 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.596 -5.641 -8.103 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.870 -8.150 -8.447 1.00 0.00 C ATOM 0 H ILE A 47 -5.676 -8.527 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.403 -5.657 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.219 -7.743 -7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.317 -6.104 -8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.663 -6.284 -7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.632 -5.726 -9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.608 -5.688 -7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.140 -4.690 -7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.859 -8.109 -8.852 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.876 -8.767 -7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.541 -8.583 -9.189 1.00 0.00 H new ATOM 707 N MET A 48 -8.432 -8.199 -5.249 1.00 0.00 N ATOM 708 CA MET A 48 -9.773 -8.558 -4.706 1.00 0.00 C ATOM 709 C MET A 48 -9.725 -8.549 -3.176 1.00 0.00 C ATOM 710 O MET A 48 -10.711 -8.279 -2.517 1.00 0.00 O ATOM 711 CB MET A 48 -10.161 -9.955 -5.196 1.00 0.00 C ATOM 712 CG MET A 48 -11.662 -10.172 -4.997 1.00 0.00 C ATOM 713 SD MET A 48 -12.250 -11.416 -6.172 1.00 0.00 S ATOM 714 CE MET A 48 -14.019 -11.088 -5.987 1.00 0.00 C ATOM 0 H MET A 48 -7.820 -8.991 -5.447 1.00 0.00 H new ATOM 0 HA MET A 48 -10.511 -7.833 -5.049 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.904 -10.066 -6.249 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.599 -10.712 -4.649 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.861 -10.497 -3.976 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.199 -9.235 -5.144 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.583 -11.758 -6.636 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.313 -11.254 -4.951 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.228 -10.054 -6.263 1.00 0.00 H new ATOM 724 N GLY A 49 -8.583 -8.846 -2.610 1.00 0.00 N ATOM 725 CA GLY A 49 -8.453 -8.864 -1.123 1.00 0.00 C ATOM 726 C GLY A 49 -8.772 -7.479 -0.552 1.00 0.00 C ATOM 727 O GLY A 49 -9.317 -7.358 0.529 1.00 0.00 O ATOM 0 H GLY A 49 -7.730 -9.078 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.130 -9.606 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.442 -9.158 -0.842 1.00 0.00 H new ATOM 731 N VAL A 50 -8.431 -6.436 -1.266 1.00 0.00 N ATOM 732 CA VAL A 50 -8.705 -5.056 -0.766 1.00 0.00 C ATOM 733 C VAL A 50 -10.194 -4.726 -0.923 1.00 0.00 C ATOM 734 O VAL A 50 -10.736 -3.918 -0.192 1.00 0.00 O ATOM 735 CB VAL A 50 -7.874 -4.050 -1.568 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.039 -2.652 -0.967 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.398 -4.454 -1.515 1.00 0.00 C ATOM 0 H VAL A 50 -7.973 -6.482 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.436 -4.999 0.289 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.215 -4.042 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.447 -1.938 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.089 -2.363 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.698 -2.659 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.804 -3.739 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.060 -4.462 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.278 -5.449 -1.943 1.00 0.00 H new ATOM 747 N VAL A 51 -10.857 -5.341 -1.871 1.00 0.00 N ATOM 748 CA VAL A 51 -12.311 -5.061 -2.080 1.00 0.00 C ATOM 749 C VAL A 51 -13.100 -5.443 -0.823 1.00 0.00 C ATOM 750 O VAL A 51 -14.124 -4.858 -0.524 1.00 0.00 O ATOM 751 CB VAL A 51 -12.820 -5.876 -3.271 1.00 0.00 C ATOM 752 CG1 VAL A 51 -14.275 -5.504 -3.567 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.960 -5.569 -4.500 1.00 0.00 C ATOM 0 H VAL A 51 -10.453 -6.026 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.448 -3.998 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.759 -6.938 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.634 -6.086 -4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.890 -5.719 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.338 -4.442 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.320 -6.148 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.024 -4.506 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.923 -5.834 -4.294 1.00 0.00 H new ATOM 763 N SER A 52 -12.632 -6.420 -0.089 1.00 0.00 N ATOM 764 CA SER A 52 -13.353 -6.846 1.147 1.00 0.00 C ATOM 765 C SER A 52 -13.173 -5.792 2.242 1.00 0.00 C ATOM 766 O SER A 52 -14.017 -5.633 3.104 1.00 0.00 O ATOM 767 CB SER A 52 -12.790 -8.183 1.630 1.00 0.00 C ATOM 768 OG SER A 52 -11.375 -8.087 1.733 1.00 0.00 O ATOM 0 H SER A 52 -11.780 -6.942 -0.293 1.00 0.00 H new ATOM 0 HA SER A 52 -14.414 -6.955 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.220 -8.444 2.597 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.063 -8.978 0.936 1.00 0.00 H new ATOM 0 HG SER A 52 -10.984 -8.037 0.836 1.00 0.00 H new ATOM 774 N LEU A 53 -12.078 -5.073 2.214 1.00 0.00 N ATOM 775 CA LEU A 53 -11.836 -4.029 3.252 1.00 0.00 C ATOM 776 C LEU A 53 -12.836 -2.885 3.077 1.00 0.00 C ATOM 777 O LEU A 53 -13.519 -2.501 4.008 1.00 0.00 O ATOM 778 CB LEU A 53 -10.414 -3.486 3.103 1.00 0.00 C ATOM 779 CG LEU A 53 -9.446 -4.367 3.892 1.00 0.00 C ATOM 780 CD1 LEU A 53 -8.055 -4.287 3.262 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.380 -3.879 5.340 1.00 0.00 C ATOM 0 H LEU A 53 -11.341 -5.166 1.515 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.960 -4.469 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.129 -3.466 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.366 -2.459 3.466 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.794 -5.400 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.364 -4.915 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.103 -4.634 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.705 -3.255 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.690 -4.506 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.031 -2.846 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.372 -3.936 5.789 1.00 0.00 H new ATOM 793 N GLY A 54 -12.921 -2.336 1.892 1.00 0.00 N ATOM 794 CA GLY A 54 -13.872 -1.211 1.649 1.00 0.00 C ATOM 795 C GLY A 54 -13.283 0.081 2.219 1.00 0.00 C ATOM 796 O GLY A 54 -13.875 0.723 3.065 1.00 0.00 O ATOM 0 H GLY A 54 -12.371 -2.620 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.056 -1.100 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.833 -1.424 2.118 1.00 0.00 H new ATOM 800 N ILE A 55 -12.116 0.462 1.760 1.00 0.00 N ATOM 801 CA ILE A 55 -11.474 1.708 2.266 1.00 0.00 C ATOM 802 C ILE A 55 -11.970 2.903 1.453 1.00 0.00 C ATOM 803 O ILE A 55 -12.167 2.816 0.256 1.00 0.00 O ATOM 804 CB ILE A 55 -9.952 1.598 2.127 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.471 0.280 2.743 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.286 2.771 2.852 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.997 0.063 2.398 1.00 0.00 C ATOM 0 H ILE A 55 -11.580 -0.041 1.053 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.733 1.845 3.316 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.685 1.622 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.603 0.303 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.069 -0.549 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.203 2.692 2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.624 3.709 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.556 2.747 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.655 -0.875 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.879 0.022 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.405 0.887 2.796 1.00 0.00 H new ATOM 819 N ALA A 56 -12.170 4.016 2.103 1.00 0.00 N ATOM 820 CA ALA A 56 -12.650 5.235 1.389 1.00 0.00 C ATOM 821 C ALA A 56 -11.661 6.380 1.620 1.00 0.00 C ATOM 822 O ALA A 56 -10.570 6.174 2.118 1.00 0.00 O ATOM 823 CB ALA A 56 -14.026 5.633 1.928 1.00 0.00 C ATOM 0 H ALA A 56 -12.021 4.135 3.105 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.725 5.027 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.377 6.524 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.730 4.817 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.952 5.843 2.995 1.00 0.00 H new ATOM 829 N LYS A 57 -12.035 7.583 1.262 1.00 0.00 N ATOM 830 CA LYS A 57 -11.120 8.744 1.459 1.00 0.00 C ATOM 831 C LYS A 57 -10.881 8.954 2.956 1.00 0.00 C ATOM 832 O LYS A 57 -11.657 8.514 3.783 1.00 0.00 O ATOM 833 CB LYS A 57 -11.753 10.001 0.857 1.00 0.00 C ATOM 834 CG LYS A 57 -13.149 10.209 1.452 1.00 0.00 C ATOM 835 CD LYS A 57 -13.543 11.692 1.351 1.00 0.00 C ATOM 836 CE LYS A 57 -13.883 12.237 2.743 1.00 0.00 C ATOM 837 NZ LYS A 57 -12.674 12.877 3.334 1.00 0.00 N ATOM 0 H LYS A 57 -12.936 7.809 0.841 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.169 8.548 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.127 10.869 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.819 9.904 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.876 9.593 0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.161 9.890 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.725 12.266 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.400 11.805 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.694 12.962 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.232 11.429 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.904 13.247 4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.912 12.173 3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.361 13.658 2.723 1.00 0.00 H new ATOM 851 N GLY A 58 -9.810 9.619 3.308 1.00 0.00 N ATOM 852 CA GLY A 58 -9.509 9.857 4.751 1.00 0.00 C ATOM 853 C GLY A 58 -9.293 8.515 5.455 1.00 0.00 C ATOM 854 O GLY A 58 -9.909 8.228 6.464 1.00 0.00 O ATOM 0 H GLY A 58 -9.129 10.008 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.620 10.479 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.331 10.398 5.220 1.00 0.00 H new ATOM 858 N ALA A 59 -8.423 7.692 4.924 1.00 0.00 N ATOM 859 CA ALA A 59 -8.163 6.362 5.551 1.00 0.00 C ATOM 860 C ALA A 59 -6.677 6.234 5.891 1.00 0.00 C ATOM 861 O ALA A 59 -5.823 6.359 5.034 1.00 0.00 O ATOM 862 CB ALA A 59 -8.555 5.254 4.572 1.00 0.00 C ATOM 0 H ALA A 59 -7.881 7.885 4.082 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.752 6.272 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.366 4.282 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.614 5.341 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.965 5.348 3.661 1.00 0.00 H new ATOM 868 N GLU A 60 -6.364 5.984 7.138 1.00 0.00 N ATOM 869 CA GLU A 60 -4.935 5.843 7.544 1.00 0.00 C ATOM 870 C GLU A 60 -4.492 4.390 7.355 1.00 0.00 C ATOM 871 O GLU A 60 -4.988 3.492 8.010 1.00 0.00 O ATOM 872 CB GLU A 60 -4.782 6.238 9.015 1.00 0.00 C ATOM 873 CG GLU A 60 -5.296 7.664 9.218 1.00 0.00 C ATOM 874 CD GLU A 60 -5.905 7.796 10.615 1.00 0.00 C ATOM 875 OE1 GLU A 60 -7.013 7.322 10.804 1.00 0.00 O ATOM 876 OE2 GLU A 60 -5.253 8.369 11.473 1.00 0.00 O ATOM 0 H GLU A 60 -7.040 5.871 7.893 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.315 6.494 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.338 5.546 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.736 6.172 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.480 8.376 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.043 7.904 8.461 1.00 0.00 H new ATOM 883 N ILE A 61 -3.566 4.154 6.459 1.00 0.00 N ATOM 884 CA ILE A 61 -3.090 2.760 6.216 1.00 0.00 C ATOM 885 C ILE A 61 -1.667 2.599 6.758 1.00 0.00 C ATOM 886 O ILE A 61 -0.926 3.556 6.875 1.00 0.00 O ATOM 887 CB ILE A 61 -3.098 2.473 4.714 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.289 3.549 3.985 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.539 2.485 4.199 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.869 3.029 2.608 1.00 0.00 C ATOM 0 H ILE A 61 -3.119 4.869 5.885 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.752 2.059 6.725 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.654 1.495 4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.885 4.455 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.408 3.814 4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.544 2.280 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.117 1.720 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.983 3.463 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.293 3.796 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.257 2.135 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.757 2.786 2.025 1.00 0.00 H new ATOM 902 N THR A 62 -1.285 1.391 7.087 1.00 0.00 N ATOM 903 CA THR A 62 0.088 1.150 7.620 1.00 0.00 C ATOM 904 C THR A 62 0.727 -0.018 6.866 1.00 0.00 C ATOM 905 O THR A 62 0.274 -1.143 6.953 1.00 0.00 O ATOM 906 CB THR A 62 0.005 0.810 9.110 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.762 1.802 9.779 1.00 0.00 O ATOM 908 CG2 THR A 62 1.414 0.765 9.705 1.00 0.00 C ATOM 0 H THR A 62 -1.869 0.558 7.009 1.00 0.00 H new ATOM 0 HA THR A 62 0.693 2.046 7.486 1.00 0.00 H new ATOM 0 HB THR A 62 -0.471 -0.163 9.234 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.817 1.585 10.733 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.353 0.523 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.001 0.004 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.892 1.737 9.581 1.00 0.00 H new ATOM 916 N ILE A 63 1.772 0.245 6.125 1.00 0.00 N ATOM 917 CA ILE A 63 2.448 -0.842 5.358 1.00 0.00 C ATOM 918 C ILE A 63 3.575 -1.438 6.205 1.00 0.00 C ATOM 919 O ILE A 63 4.166 -0.768 7.030 1.00 0.00 O ATOM 920 CB ILE A 63 3.021 -0.262 4.060 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.882 0.339 3.231 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.714 -1.367 3.254 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.448 1.031 1.986 1.00 0.00 C ATOM 0 H ILE A 63 2.188 1.170 6.018 1.00 0.00 H new ATOM 0 HA ILE A 63 1.730 -1.626 5.117 1.00 0.00 H new ATOM 0 HB ILE A 63 3.750 0.512 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.184 -0.444 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.322 1.055 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.118 -0.947 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.525 -1.794 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.992 -2.147 3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.631 1.455 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.129 1.827 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.988 0.304 1.379 1.00 0.00 H new ATOM 935 N SER A 64 3.875 -2.696 6.001 1.00 0.00 N ATOM 936 CA SER A 64 4.963 -3.352 6.782 1.00 0.00 C ATOM 937 C SER A 64 5.686 -4.362 5.890 1.00 0.00 C ATOM 938 O SER A 64 5.121 -5.361 5.485 1.00 0.00 O ATOM 939 CB SER A 64 4.361 -4.073 7.988 1.00 0.00 C ATOM 940 OG SER A 64 3.562 -5.158 7.536 1.00 0.00 O ATOM 0 H SER A 64 3.409 -3.299 5.323 1.00 0.00 H new ATOM 0 HA SER A 64 5.671 -2.599 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.154 -4.438 8.641 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.757 -3.381 8.575 1.00 0.00 H new ATOM 0 HG SER A 64 3.882 -5.457 6.659 1.00 0.00 H new ATOM 946 N ALA A 65 6.932 -4.108 5.582 1.00 0.00 N ATOM 947 CA ALA A 65 7.703 -5.047 4.716 1.00 0.00 C ATOM 948 C ALA A 65 8.622 -5.902 5.589 1.00 0.00 C ATOM 949 O ALA A 65 9.318 -5.398 6.451 1.00 0.00 O ATOM 950 CB ALA A 65 8.544 -4.246 3.721 1.00 0.00 C ATOM 0 H ALA A 65 7.450 -3.287 5.895 1.00 0.00 H new ATOM 0 HA ALA A 65 7.014 -5.692 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.108 -4.931 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.889 -3.634 3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.235 -3.602 4.265 1.00 0.00 H new ATOM 956 N SER A 66 8.628 -7.192 5.371 1.00 0.00 N ATOM 957 CA SER A 66 9.500 -8.089 6.184 1.00 0.00 C ATOM 958 C SER A 66 10.260 -9.039 5.257 1.00 0.00 C ATOM 959 O SER A 66 9.722 -10.024 4.787 1.00 0.00 O ATOM 960 CB SER A 66 8.637 -8.900 7.151 1.00 0.00 C ATOM 961 OG SER A 66 7.646 -8.054 7.719 1.00 0.00 O ATOM 0 H SER A 66 8.065 -7.663 4.663 1.00 0.00 H new ATOM 0 HA SER A 66 10.212 -7.488 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.165 -9.731 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.258 -9.331 7.937 1.00 0.00 H new ATOM 0 HG SER A 66 7.090 -8.571 8.338 1.00 0.00 H new ATOM 967 N GLY A 67 11.508 -8.747 4.991 1.00 0.00 N ATOM 968 CA GLY A 67 12.314 -9.626 4.094 1.00 0.00 C ATOM 969 C GLY A 67 13.766 -9.142 4.070 1.00 0.00 C ATOM 970 O GLY A 67 14.339 -8.827 5.095 1.00 0.00 O ATOM 0 H GLY A 67 12.004 -7.935 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.270 -10.658 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.899 -9.613 3.086 1.00 0.00 H new ATOM 974 N ALA A 68 14.359 -9.083 2.905 1.00 0.00 N ATOM 975 CA ALA A 68 15.775 -8.622 2.803 1.00 0.00 C ATOM 976 C ALA A 68 15.804 -7.156 2.364 1.00 0.00 C ATOM 977 O ALA A 68 16.504 -6.342 2.935 1.00 0.00 O ATOM 978 CB ALA A 68 16.517 -9.477 1.774 1.00 0.00 C ATOM 0 H ALA A 68 13.922 -9.335 2.019 1.00 0.00 H new ATOM 0 HA ALA A 68 16.260 -8.720 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.551 -9.141 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.497 -10.521 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.033 -9.379 0.802 1.00 0.00 H new ATOM 984 N ASP A 69 15.047 -6.818 1.350 1.00 0.00 N ATOM 985 CA ASP A 69 15.025 -5.407 0.865 1.00 0.00 C ATOM 986 C ASP A 69 13.774 -4.703 1.395 1.00 0.00 C ATOM 987 O ASP A 69 13.170 -3.897 0.713 1.00 0.00 O ATOM 988 CB ASP A 69 15.013 -5.385 -0.668 1.00 0.00 C ATOM 989 CG ASP A 69 13.909 -6.304 -1.198 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.867 -6.372 -0.568 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.125 -6.923 -2.226 1.00 0.00 O ATOM 0 H ASP A 69 14.443 -7.461 0.837 1.00 0.00 H new ATOM 0 HA ASP A 69 15.914 -4.890 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.852 -4.367 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.981 -5.707 -1.052 1.00 0.00 H new ATOM 996 N GLU A 70 13.382 -5.003 2.608 1.00 0.00 N ATOM 997 CA GLU A 70 12.172 -4.356 3.191 1.00 0.00 C ATOM 998 C GLU A 70 12.420 -2.853 3.343 1.00 0.00 C ATOM 999 O GLU A 70 11.505 -2.055 3.276 1.00 0.00 O ATOM 1000 CB GLU A 70 11.865 -4.969 4.562 1.00 0.00 C ATOM 1001 CG GLU A 70 13.125 -4.958 5.432 1.00 0.00 C ATOM 1002 CD GLU A 70 12.730 -5.087 6.903 1.00 0.00 C ATOM 1003 OE1 GLU A 70 11.807 -5.836 7.185 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.355 -4.436 7.725 1.00 0.00 O ATOM 0 H GLU A 70 13.851 -5.671 3.220 1.00 0.00 H new ATOM 0 HA GLU A 70 11.322 -4.519 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.070 -4.407 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.505 -5.991 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.783 -5.779 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.681 -4.034 5.273 1.00 0.00 H new ATOM 1011 N ASN A 71 13.655 -2.463 3.544 1.00 0.00 N ATOM 1012 CA ASN A 71 13.971 -1.013 3.696 1.00 0.00 C ATOM 1013 C ASN A 71 13.793 -0.306 2.353 1.00 0.00 C ATOM 1014 O ASN A 71 13.322 0.812 2.291 1.00 0.00 O ATOM 1015 CB ASN A 71 15.416 -0.848 4.169 1.00 0.00 C ATOM 1016 CG ASN A 71 15.453 -0.818 5.697 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.576 -1.844 6.336 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.352 0.327 6.314 1.00 0.00 N ATOM 0 H ASN A 71 14.458 -3.089 3.609 1.00 0.00 H new ATOM 0 HA ASN A 71 13.296 -0.574 4.431 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.028 -1.669 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.839 0.073 3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.376 0.361 7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.249 1.188 5.777 1.00 0.00 H new ATOM 1025 N ASP A 72 14.170 -0.950 1.279 1.00 0.00 N ATOM 1026 CA ASP A 72 14.028 -0.319 -0.066 1.00 0.00 C ATOM 1027 C ASP A 72 12.564 -0.371 -0.518 1.00 0.00 C ATOM 1028 O ASP A 72 12.143 0.402 -1.357 1.00 0.00 O ATOM 1029 CB ASP A 72 14.898 -1.074 -1.074 1.00 0.00 C ATOM 1030 CG ASP A 72 16.356 -1.046 -0.613 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.866 0.039 -0.391 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.938 -2.111 -0.493 1.00 0.00 O ATOM 0 H ASP A 72 14.571 -1.888 1.276 1.00 0.00 H new ATOM 0 HA ASP A 72 14.347 0.722 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.555 -2.104 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.809 -0.619 -2.060 1.00 0.00 H new ATOM 1037 N ALA A 73 11.789 -1.282 0.019 1.00 0.00 N ATOM 1038 CA ALA A 73 10.358 -1.391 -0.389 1.00 0.00 C ATOM 1039 C ALA A 73 9.528 -0.281 0.263 1.00 0.00 C ATOM 1040 O ALA A 73 8.670 0.307 -0.369 1.00 0.00 O ATOM 1041 CB ALA A 73 9.812 -2.752 0.048 1.00 0.00 C ATOM 0 H ALA A 73 12.089 -1.955 0.724 1.00 0.00 H new ATOM 0 HA ALA A 73 10.292 -1.290 -1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.766 -2.837 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.389 -3.545 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.891 -2.845 1.131 1.00 0.00 H new ATOM 1047 N LEU A 74 9.759 -0.002 1.523 1.00 0.00 N ATOM 1048 CA LEU A 74 8.961 1.056 2.216 1.00 0.00 C ATOM 1049 C LEU A 74 9.303 2.446 1.660 1.00 0.00 C ATOM 1050 O LEU A 74 8.419 3.251 1.423 1.00 0.00 O ATOM 1051 CB LEU A 74 9.229 1.016 3.728 1.00 0.00 C ATOM 1052 CG LEU A 74 10.721 1.201 4.012 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.022 2.684 4.258 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.106 0.393 5.254 1.00 0.00 C ATOM 0 H LEU A 74 10.464 -0.460 2.100 1.00 0.00 H new ATOM 0 HA LEU A 74 7.904 0.861 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.658 1.800 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.890 0.065 4.139 1.00 0.00 H new ATOM 0 HG LEU A 74 11.296 0.853 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.086 2.811 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.749 3.262 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.446 3.035 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.169 0.524 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.527 0.742 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.897 -0.663 5.081 1.00 0.00 H new ATOM 1066 N ASN A 75 10.564 2.743 1.449 1.00 0.00 N ATOM 1067 CA ASN A 75 10.930 4.092 0.910 1.00 0.00 C ATOM 1068 C ASN A 75 10.606 4.159 -0.583 1.00 0.00 C ATOM 1069 O ASN A 75 10.335 5.219 -1.119 1.00 0.00 O ATOM 1070 CB ASN A 75 12.422 4.385 1.130 1.00 0.00 C ATOM 1071 CG ASN A 75 13.281 3.181 0.741 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.943 2.439 -0.157 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.396 2.963 1.387 1.00 0.00 N ATOM 0 H ASN A 75 11.349 2.116 1.625 1.00 0.00 H new ATOM 0 HA ASN A 75 10.349 4.844 1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.717 5.252 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.596 4.638 2.176 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.984 2.168 1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.679 3.588 2.142 1.00 0.00 H new ATOM 1080 N ALA A 76 10.620 3.038 -1.256 1.00 0.00 N ATOM 1081 CA ALA A 76 10.302 3.030 -2.714 1.00 0.00 C ATOM 1082 C ALA A 76 8.788 3.169 -2.908 1.00 0.00 C ATOM 1083 O ALA A 76 8.328 3.638 -3.933 1.00 0.00 O ATOM 1084 CB ALA A 76 10.772 1.713 -3.331 1.00 0.00 C ATOM 0 H ALA A 76 10.839 2.125 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 76 10.810 3.863 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.540 1.707 -4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.848 1.611 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.263 0.881 -2.844 1.00 0.00 H new ATOM 1090 N LEU A 77 8.012 2.771 -1.929 1.00 0.00 N ATOM 1091 CA LEU A 77 6.529 2.883 -2.048 1.00 0.00 C ATOM 1092 C LEU A 77 6.094 4.302 -1.679 1.00 0.00 C ATOM 1093 O LEU A 77 5.047 4.761 -2.087 1.00 0.00 O ATOM 1094 CB LEU A 77 5.863 1.885 -1.100 1.00 0.00 C ATOM 1095 CG LEU A 77 5.932 0.483 -1.707 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.737 -0.560 -0.607 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.830 0.329 -2.758 1.00 0.00 C ATOM 0 H LEU A 77 8.345 2.373 -1.051 1.00 0.00 H new ATOM 0 HA LEU A 77 6.230 2.665 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.362 1.899 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.825 2.168 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 77 6.905 0.337 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.786 -1.559 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.521 -0.450 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.764 -0.416 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.878 -0.670 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.857 0.475 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.969 1.072 -3.543 1.00 0.00 H new ATOM 1109 N GLU A 78 6.891 4.998 -0.907 1.00 0.00 N ATOM 1110 CA GLU A 78 6.536 6.388 -0.508 1.00 0.00 C ATOM 1111 C GLU A 78 6.782 7.332 -1.693 1.00 0.00 C ATOM 1112 O GLU A 78 6.009 8.240 -1.943 1.00 0.00 O ATOM 1113 CB GLU A 78 7.414 6.791 0.684 1.00 0.00 C ATOM 1114 CG GLU A 78 7.094 8.225 1.131 1.00 0.00 C ATOM 1115 CD GLU A 78 8.317 8.828 1.823 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.417 8.591 1.351 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.134 9.517 2.813 1.00 0.00 O ATOM 0 H GLU A 78 7.778 4.657 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 78 5.486 6.448 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.251 6.101 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.466 6.716 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.814 8.832 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.242 8.224 1.811 1.00 0.00 H new ATOM 1124 N GLU A 79 7.853 7.126 -2.418 1.00 0.00 N ATOM 1125 CA GLU A 79 8.160 8.010 -3.583 1.00 0.00 C ATOM 1126 C GLU A 79 7.228 7.679 -4.754 1.00 0.00 C ATOM 1127 O GLU A 79 6.931 8.527 -5.576 1.00 0.00 O ATOM 1128 CB GLU A 79 9.617 7.809 -4.015 1.00 0.00 C ATOM 1129 CG GLU A 79 9.895 6.319 -4.232 1.00 0.00 C ATOM 1130 CD GLU A 79 11.039 6.154 -5.233 1.00 0.00 C ATOM 1131 OE1 GLU A 79 10.757 6.082 -6.417 1.00 0.00 O ATOM 1132 OE2 GLU A 79 12.178 6.101 -4.798 1.00 0.00 O ATOM 0 H GLU A 79 8.530 6.381 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 79 8.008 9.048 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.813 8.362 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.289 8.206 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.155 5.845 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.999 5.821 -4.602 1.00 0.00 H new ATOM 1139 N THR A 80 6.771 6.456 -4.840 1.00 0.00 N ATOM 1140 CA THR A 80 5.863 6.066 -5.961 1.00 0.00 C ATOM 1141 C THR A 80 4.413 6.416 -5.608 1.00 0.00 C ATOM 1142 O THR A 80 3.591 6.630 -6.477 1.00 0.00 O ATOM 1143 CB THR A 80 5.974 4.560 -6.198 1.00 0.00 C ATOM 1144 OG1 THR A 80 7.345 4.199 -6.297 1.00 0.00 O ATOM 1145 CG2 THR A 80 5.251 4.192 -7.494 1.00 0.00 C ATOM 0 H THR A 80 6.988 5.709 -4.181 1.00 0.00 H new ATOM 0 HA THR A 80 6.153 6.607 -6.862 1.00 0.00 H new ATOM 0 HB THR A 80 5.516 4.025 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.661 3.873 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.330 3.118 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.200 4.470 -7.416 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.706 4.725 -8.329 1.00 0.00 H new ATOM 1153 N MET A 81 4.096 6.467 -4.339 1.00 0.00 N ATOM 1154 CA MET A 81 2.701 6.795 -3.921 1.00 0.00 C ATOM 1155 C MET A 81 2.393 8.256 -4.249 1.00 0.00 C ATOM 1156 O MET A 81 1.333 8.573 -4.752 1.00 0.00 O ATOM 1157 CB MET A 81 2.555 6.572 -2.415 1.00 0.00 C ATOM 1158 CG MET A 81 2.326 5.084 -2.138 1.00 0.00 C ATOM 1159 SD MET A 81 0.549 4.737 -2.091 1.00 0.00 S ATOM 1160 CE MET A 81 0.496 4.071 -0.410 1.00 0.00 C ATOM 0 H MET A 81 4.746 6.295 -3.572 1.00 0.00 H new ATOM 0 HA MET A 81 2.004 6.150 -4.457 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.451 6.915 -1.897 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.720 7.157 -2.029 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.803 4.483 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.786 4.806 -1.190 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.527 3.786 -0.164 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.143 3.196 -0.345 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.840 4.830 0.293 1.00 0.00 H new ATOM 1170 N LYS A 82 3.309 9.146 -3.963 1.00 0.00 N ATOM 1171 CA LYS A 82 3.073 10.592 -4.250 1.00 0.00 C ATOM 1172 C LYS A 82 3.123 10.844 -5.761 1.00 0.00 C ATOM 1173 O LYS A 82 2.551 11.799 -6.254 1.00 0.00 O ATOM 1174 CB LYS A 82 4.150 11.429 -3.558 1.00 0.00 C ATOM 1175 CG LYS A 82 3.826 11.544 -2.067 1.00 0.00 C ATOM 1176 CD LYS A 82 5.126 11.667 -1.268 1.00 0.00 C ATOM 1177 CE LYS A 82 5.530 13.141 -1.147 1.00 0.00 C ATOM 1178 NZ LYS A 82 6.857 13.345 -1.794 1.00 0.00 N ATOM 0 H LYS A 82 4.213 8.932 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 82 2.089 10.874 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.128 10.967 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.200 12.421 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.193 12.413 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.266 10.669 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.995 11.235 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.919 11.103 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.781 13.775 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.576 13.432 -0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.133 14.344 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.568 12.750 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.797 13.083 -2.799 1.00 0.00 H new ATOM 1192 N SER A 83 3.801 10.000 -6.501 1.00 0.00 N ATOM 1193 CA SER A 83 3.890 10.193 -7.981 1.00 0.00 C ATOM 1194 C SER A 83 2.487 10.158 -8.596 1.00 0.00 C ATOM 1195 O SER A 83 2.234 10.772 -9.617 1.00 0.00 O ATOM 1196 CB SER A 83 4.740 9.077 -8.589 1.00 0.00 C ATOM 1197 OG SER A 83 3.992 7.868 -8.599 1.00 0.00 O ATOM 0 H SER A 83 4.297 9.184 -6.142 1.00 0.00 H new ATOM 0 HA SER A 83 4.349 11.159 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.037 9.342 -9.604 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.656 8.947 -8.012 1.00 0.00 H new ATOM 0 HG SER A 83 4.103 7.408 -7.741 1.00 0.00 H new ATOM 1203 N GLU A 84 1.577 9.444 -7.984 1.00 0.00 N ATOM 1204 CA GLU A 84 0.189 9.362 -8.528 1.00 0.00 C ATOM 1205 C GLU A 84 -0.744 10.260 -7.707 1.00 0.00 C ATOM 1206 O GLU A 84 -1.744 10.745 -8.204 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.302 7.914 -8.452 1.00 0.00 C ATOM 1208 CG GLU A 84 0.593 7.027 -9.319 1.00 0.00 C ATOM 1209 CD GLU A 84 0.401 7.388 -10.792 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -0.710 7.241 -11.277 1.00 0.00 O ATOM 1211 OE2 GLU A 84 1.366 7.805 -11.411 1.00 0.00 O ATOM 0 H GLU A 84 1.737 8.913 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 84 0.189 9.696 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.285 7.567 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.335 7.851 -8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.637 7.159 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.348 5.977 -9.157 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.422 10.487 -6.458 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.282 11.352 -5.600 1.00 0.00 C ATOM 1220 C GLY A 85 -2.328 10.493 -4.886 1.00 0.00 C ATOM 1221 O GLY A 85 -3.479 10.872 -4.771 1.00 0.00 O ATOM 0 H GLY A 85 0.404 10.107 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.669 11.879 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.774 12.110 -6.209 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.934 9.341 -4.404 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.899 8.452 -3.693 1.00 0.00 C ATOM 1227 C LEU A 86 -2.748 8.642 -2.182 1.00 0.00 C ATOM 1228 O LEU A 86 -3.714 8.600 -1.443 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.612 6.994 -4.054 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.051 6.727 -5.495 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -2.445 5.409 -5.979 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -4.577 6.638 -5.553 1.00 0.00 C ATOM 0 H LEU A 86 -0.983 8.978 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.916 8.707 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.548 6.784 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.142 6.329 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.708 7.540 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.758 5.220 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.358 5.471 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.786 4.595 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.892 6.448 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.919 5.825 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.010 7.578 -5.209 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.541 8.850 -1.721 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.313 9.045 -0.259 1.00 0.00 C ATOM 1246 C GLY A 87 0.094 9.601 -0.036 1.00 0.00 C ATOM 1247 O GLY A 87 0.880 9.702 -0.959 1.00 0.00 O ATOM 0 H GLY A 87 -0.701 8.893 -2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.056 9.731 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.430 8.098 0.268 1.00 0.00 H new ATOM 1251 N GLU A 88 0.415 9.967 1.181 1.00 0.00 N ATOM 1252 CA GLU A 88 1.772 10.522 1.463 1.00 0.00 C ATOM 1253 C GLU A 88 1.958 10.685 2.978 1.00 0.00 C ATOM 1254 O GLU A 88 1.523 9.808 3.704 1.00 0.00 O ATOM 1255 CB GLU A 88 1.913 11.881 0.766 1.00 0.00 C ATOM 1256 CG GLU A 88 0.786 12.818 1.226 1.00 0.00 C ATOM 1257 CD GLU A 88 0.165 13.515 0.012 1.00 0.00 C ATOM 1258 OE1 GLU A 88 0.855 14.167 -0.747 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -1.117 13.404 -0.205 1.00 0.00 O ATOM 1260 OXT GLU A 88 2.537 11.679 3.389 1.00 0.00 O ATOM 0 H GLU A 88 -0.204 9.905 1.989 1.00 0.00 H new ATOM 0 HA GLU A 88 2.535 9.841 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.883 12.321 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.873 11.752 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.024 12.251 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.178 13.560 1.922 1.00 0.00 H new