USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 4 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.683) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= 0.505 USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.953 K(o=1,f=-4.8!) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 8 SER OG : rot -24:sc= 0.646 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.87 USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.22) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0167) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -165:sc= -0.365 USER MOD Single : A 34 ASN : amide:sc= 0.777 K(o=0.78,f=-5.5!) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= 1.74 (180deg=1.22) USER MOD Single : A 44 THR OG1 : rot -158:sc= -0.906! USER MOD Single : A 46 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-6.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 30:sc= -0.393 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.265 USER MOD Single : A 69 LYS NZ :NH3+ 155:sc= 1.17 (180deg=1.13) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 1.14 K(o=1.1,f=-0.042) USER MOD Single : A 80 LYS NZ :NH3+ 140:sc= 0.755 (180deg=-1.12!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 12.517 9.775 -9.837 1.00 0.00 N ATOM 2 CA GLU A 2 12.645 11.144 -9.289 1.00 0.00 C ATOM 3 C GLU A 2 12.429 11.158 -7.792 1.00 0.00 C ATOM 4 O GLU A 2 12.795 12.103 -7.093 1.00 0.00 O ATOM 5 CB GLU A 2 11.657 12.082 -9.972 1.00 0.00 C ATOM 6 CG GLU A 2 10.202 11.689 -9.730 1.00 0.00 C ATOM 7 CD GLU A 2 9.223 12.536 -10.493 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.839 13.621 -10.022 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.803 12.115 -11.601 1.00 0.00 O ATOM 0 HA GLU A 2 13.659 11.491 -9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.819 13.098 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.853 12.090 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.064 10.645 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.985 11.765 -8.665 1.00 0.00 H new ATOM 16 N LEU A 3 11.897 10.084 -7.341 1.00 0.00 N ATOM 17 CA LEU A 3 11.431 9.862 -5.980 1.00 0.00 C ATOM 18 C LEU A 3 10.218 10.691 -5.590 1.00 0.00 C ATOM 19 O LEU A 3 9.941 11.769 -6.146 1.00 0.00 O ATOM 20 CB LEU A 3 12.504 9.904 -4.884 1.00 0.00 C ATOM 21 CG LEU A 3 13.472 8.729 -4.827 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.639 8.892 -5.789 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.919 8.493 -3.401 1.00 0.00 C ATOM 0 H LEU A 3 11.756 9.267 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 3 11.113 8.821 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.085 10.817 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.002 9.978 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 3 12.944 7.837 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.299 8.028 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.262 8.968 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.193 9.797 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.611 7.651 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.418 9.386 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.051 8.272 -2.780 1.00 0.00 H new ATOM 35 N LYS A 4 9.491 10.170 -4.648 1.00 0.00 N ATOM 36 CA LYS A 4 8.319 10.810 -4.131 1.00 0.00 C ATOM 37 C LYS A 4 8.621 11.551 -2.843 1.00 0.00 C ATOM 38 O LYS A 4 9.711 11.399 -2.263 1.00 0.00 O ATOM 39 CB LYS A 4 7.187 9.786 -3.946 1.00 0.00 C ATOM 40 CG LYS A 4 7.580 8.469 -3.293 1.00 0.00 C ATOM 41 CD LYS A 4 7.922 8.589 -1.824 1.00 0.00 C ATOM 42 CE LYS A 4 7.948 7.233 -1.134 1.00 0.00 C ATOM 43 NZ LYS A 4 8.803 6.225 -1.813 1.00 0.00 N ATOM 0 H LYS A 4 9.699 9.273 -4.210 1.00 0.00 H new ATOM 0 HA LYS A 4 7.984 11.553 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.402 10.246 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.756 9.570 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.761 7.759 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.438 8.054 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.894 9.070 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.192 9.232 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.301 7.364 -0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.930 6.849 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.074 5.486 -1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.275 5.796 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.659 6.687 -2.181 1.00 0.00 H new ATOM 57 N HIS A 5 7.674 12.332 -2.390 1.00 0.00 N ATOM 58 CA HIS A 5 7.841 13.079 -1.161 1.00 0.00 C ATOM 59 C HIS A 5 6.963 12.494 -0.038 1.00 0.00 C ATOM 60 O HIS A 5 7.244 12.686 1.133 1.00 0.00 O ATOM 61 CB HIS A 5 7.518 14.574 -1.391 1.00 0.00 C ATOM 62 CG HIS A 5 6.061 14.890 -1.624 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.388 14.653 -2.802 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.137 15.387 -0.768 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.118 14.992 -2.627 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.907 15.447 -1.406 1.00 0.00 N ATOM 0 H HIS A 5 6.775 12.470 -2.852 1.00 0.00 H new ATOM 0 HA HIS A 5 8.882 12.996 -0.848 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.862 15.140 -0.526 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.091 14.925 -2.250 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.796 14.281 -3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.328 15.689 0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.354 14.907 -3.386 1.00 0.00 H new ATOM 74 N SER A 6 5.900 11.789 -0.416 1.00 0.00 N ATOM 75 CA SER A 6 4.971 11.216 0.547 1.00 0.00 C ATOM 76 C SER A 6 4.103 10.208 -0.173 1.00 0.00 C ATOM 77 O SER A 6 4.330 9.938 -1.362 1.00 0.00 O ATOM 78 CB SER A 6 4.071 12.326 1.117 1.00 0.00 C ATOM 79 OG SER A 6 3.255 12.889 0.090 1.00 0.00 O ATOM 0 H SER A 6 5.662 11.601 -1.390 1.00 0.00 H new ATOM 0 HA SER A 6 5.522 10.741 1.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.441 11.920 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.686 13.105 1.568 1.00 0.00 H new ATOM 0 HG SER A 6 2.688 13.592 0.471 1.00 0.00 H new ATOM 85 N ILE A 7 3.110 9.677 0.518 1.00 0.00 N ATOM 86 CA ILE A 7 2.146 8.782 -0.080 1.00 0.00 C ATOM 87 C ILE A 7 1.216 9.569 -1.019 1.00 0.00 C ATOM 88 O ILE A 7 0.680 9.030 -1.972 1.00 0.00 O ATOM 89 CB ILE A 7 1.296 8.046 0.996 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.483 6.923 0.347 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.385 9.021 1.741 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.255 6.060 1.329 1.00 0.00 C ATOM 0 H ILE A 7 2.953 9.857 1.510 1.00 0.00 H new ATOM 0 HA ILE A 7 2.698 8.031 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 7 1.973 7.606 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.234 7.361 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.153 6.296 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.197 8.478 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.991 9.780 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.290 9.501 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.807 5.288 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.457 5.591 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.952 6.673 1.900 1.00 0.00 H new ATOM 104 N SER A 8 1.086 10.873 -0.765 1.00 0.00 N ATOM 105 CA SER A 8 0.201 11.704 -1.534 1.00 0.00 C ATOM 106 C SER A 8 0.847 12.099 -2.847 1.00 0.00 C ATOM 107 O SER A 8 0.222 12.748 -3.683 1.00 0.00 O ATOM 108 CB SER A 8 -0.236 12.937 -0.738 1.00 0.00 C ATOM 109 OG SER A 8 -1.157 13.720 -1.489 1.00 0.00 O ATOM 0 H SER A 8 1.591 11.363 -0.027 1.00 0.00 H new ATOM 0 HA SER A 8 -0.696 11.126 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.696 12.626 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.636 13.539 -0.482 1.00 0.00 H new ATOM 0 HG SER A 8 -1.026 13.551 -2.445 1.00 0.00 H new ATOM 115 N ASP A 9 2.103 11.732 -3.010 1.00 0.00 N ATOM 116 CA ASP A 9 2.788 11.944 -4.274 1.00 0.00 C ATOM 117 C ASP A 9 2.242 10.926 -5.257 1.00 0.00 C ATOM 118 O ASP A 9 2.102 11.186 -6.459 1.00 0.00 O ATOM 119 CB ASP A 9 4.283 11.724 -4.104 1.00 0.00 C ATOM 120 CG ASP A 9 5.100 12.224 -5.273 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.243 11.517 -6.285 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.646 13.340 -5.167 1.00 0.00 O ATOM 0 H ASP A 9 2.670 11.287 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 9 2.627 12.963 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.616 12.227 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.473 10.659 -3.966 1.00 0.00 H new ATOM 127 N TYR A 10 1.893 9.778 -4.705 1.00 0.00 N ATOM 128 CA TYR A 10 1.326 8.683 -5.439 1.00 0.00 C ATOM 129 C TYR A 10 -0.136 8.958 -5.667 1.00 0.00 C ATOM 130 O TYR A 10 -0.776 9.654 -4.879 1.00 0.00 O ATOM 131 CB TYR A 10 1.418 7.368 -4.631 1.00 0.00 C ATOM 132 CG TYR A 10 2.804 6.837 -4.334 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.601 7.390 -3.338 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.309 5.753 -5.041 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.828 6.893 -3.073 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.558 5.247 -4.764 1.00 0.00 C ATOM 137 CZ TYR A 10 5.313 5.824 -3.779 1.00 0.00 C ATOM 138 OH TYR A 10 6.575 5.336 -3.497 1.00 0.00 O ATOM 0 H TYR A 10 2.002 9.586 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 10 1.874 8.582 -6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.902 7.517 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.870 6.598 -5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.233 8.230 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.712 5.301 -5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.432 7.342 -2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.939 4.402 -5.319 1.00 0.00 H new ATOM 0 HH TYR A 10 6.771 4.576 -4.084 1.00 0.00 H new ATOM 148 N THR A 11 -0.651 8.448 -6.727 1.00 0.00 N ATOM 149 CA THR A 11 -2.055 8.479 -6.967 1.00 0.00 C ATOM 150 C THR A 11 -2.619 7.193 -6.395 1.00 0.00 C ATOM 151 O THR A 11 -1.858 6.397 -5.804 1.00 0.00 O ATOM 152 CB THR A 11 -2.318 8.518 -8.478 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.553 7.478 -9.118 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.940 9.865 -9.067 1.00 0.00 C ATOM 0 H THR A 11 -0.108 7.993 -7.461 1.00 0.00 H new ATOM 0 HA THR A 11 -2.514 9.356 -6.511 1.00 0.00 H new ATOM 0 HB THR A 11 -3.383 8.361 -8.649 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.719 7.497 -10.084 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.138 9.862 -10.139 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.530 10.649 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.880 10.053 -8.894 1.00 0.00 H new ATOM 162 N GLU A 12 -3.898 6.952 -6.575 1.00 0.00 N ATOM 163 CA GLU A 12 -4.465 5.694 -6.162 1.00 0.00 C ATOM 164 C GLU A 12 -3.854 4.637 -7.050 1.00 0.00 C ATOM 165 O GLU A 12 -3.403 3.618 -6.589 1.00 0.00 O ATOM 166 CB GLU A 12 -5.997 5.694 -6.316 1.00 0.00 C ATOM 167 CG GLU A 12 -6.653 4.348 -6.023 1.00 0.00 C ATOM 168 CD GLU A 12 -8.141 4.341 -6.282 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.556 4.538 -7.450 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.917 4.069 -5.346 1.00 0.00 O ATOM 0 H GLU A 12 -4.557 7.604 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.253 5.507 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.419 6.445 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.249 5.995 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.181 3.580 -6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.471 4.082 -4.982 1.00 0.00 H new ATOM 177 N ALA A 13 -3.741 4.985 -8.315 1.00 0.00 N ATOM 178 CA ALA A 13 -3.224 4.103 -9.345 1.00 0.00 C ATOM 179 C ALA A 13 -1.744 3.726 -9.126 1.00 0.00 C ATOM 180 O ALA A 13 -1.398 2.553 -9.152 1.00 0.00 O ATOM 181 CB ALA A 13 -3.431 4.727 -10.711 1.00 0.00 C ATOM 0 H ALA A 13 -4.010 5.905 -8.664 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.785 3.170 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.040 4.059 -11.479 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.496 4.890 -10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.906 5.681 -10.759 1.00 0.00 H new ATOM 187 N GLU A 14 -0.879 4.709 -8.892 1.00 0.00 N ATOM 188 CA GLU A 14 0.559 4.423 -8.697 1.00 0.00 C ATOM 189 C GLU A 14 0.836 3.724 -7.383 1.00 0.00 C ATOM 190 O GLU A 14 1.799 2.965 -7.259 1.00 0.00 O ATOM 191 CB GLU A 14 1.428 5.669 -8.852 1.00 0.00 C ATOM 192 CG GLU A 14 1.483 6.202 -10.273 1.00 0.00 C ATOM 193 CD GLU A 14 2.019 5.175 -11.253 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.241 4.908 -11.251 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.233 4.616 -12.043 1.00 0.00 O ATOM 0 H GLU A 14 -1.131 5.696 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 14 0.836 3.734 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.047 6.451 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.440 5.439 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.484 6.509 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.113 7.091 -10.301 1.00 0.00 H new ATOM 202 N PHE A 15 0.007 3.963 -6.410 1.00 0.00 N ATOM 203 CA PHE A 15 0.128 3.265 -5.157 1.00 0.00 C ATOM 204 C PHE A 15 -0.443 1.893 -5.321 1.00 0.00 C ATOM 205 O PHE A 15 -0.003 0.971 -4.720 1.00 0.00 O ATOM 206 CB PHE A 15 -0.544 4.011 -4.033 1.00 0.00 C ATOM 207 CG PHE A 15 -0.293 3.421 -2.683 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.785 3.841 -1.928 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.143 2.463 -2.159 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.007 3.319 -0.680 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.924 1.942 -0.917 1.00 0.00 C ATOM 212 CZ PHE A 15 0.147 2.370 -0.176 1.00 0.00 C ATOM 0 H PHE A 15 -0.760 4.634 -6.456 1.00 0.00 H new ATOM 0 HA PHE A 15 1.181 3.193 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.198 5.045 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.618 4.033 -4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.458 4.587 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.989 2.124 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.852 3.651 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.593 1.194 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.317 1.960 0.809 1.00 0.00 H new ATOM 222 N LEU A 16 -1.418 1.770 -6.135 1.00 0.00 N ATOM 223 CA LEU A 16 -1.996 0.486 -6.418 1.00 0.00 C ATOM 224 C LEU A 16 -0.996 -0.393 -7.161 1.00 0.00 C ATOM 225 O LEU A 16 -1.047 -1.621 -7.107 1.00 0.00 O ATOM 226 CB LEU A 16 -3.332 0.693 -7.124 1.00 0.00 C ATOM 227 CG LEU A 16 -4.171 -0.502 -7.381 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.617 -0.091 -7.456 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.799 -1.118 -8.669 1.00 0.00 C ATOM 0 H LEU A 16 -1.850 2.549 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.217 -0.064 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.920 1.393 -6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.134 1.175 -8.081 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.017 -1.216 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.235 -0.969 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.915 0.366 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.750 0.627 -8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.422 -1.995 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.948 -0.398 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.751 -1.417 -8.640 1.00 0.00 H new ATOM 241 N GLU A 17 -0.095 0.235 -7.801 1.00 0.00 N ATOM 242 CA GLU A 17 1.007 -0.448 -8.389 1.00 0.00 C ATOM 243 C GLU A 17 2.034 -0.872 -7.310 1.00 0.00 C ATOM 244 O GLU A 17 2.786 -1.791 -7.538 1.00 0.00 O ATOM 245 CB GLU A 17 1.664 0.382 -9.483 1.00 0.00 C ATOM 246 CG GLU A 17 0.758 0.664 -10.672 1.00 0.00 C ATOM 247 CD GLU A 17 0.282 -0.597 -11.365 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.098 -1.240 -12.063 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.902 -0.961 -11.231 1.00 0.00 O ATOM 0 H GLU A 17 -0.090 1.246 -7.939 1.00 0.00 H new ATOM 0 HA GLU A 17 0.621 -1.352 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.994 1.330 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.556 -0.138 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.107 1.236 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.292 1.287 -11.389 1.00 0.00 H new ATOM 256 N PHE A 18 2.010 -0.211 -6.105 1.00 0.00 N ATOM 257 CA PHE A 18 2.948 -0.540 -4.969 1.00 0.00 C ATOM 258 C PHE A 18 2.842 -2.000 -4.672 1.00 0.00 C ATOM 259 O PHE A 18 3.816 -2.725 -4.649 1.00 0.00 O ATOM 260 CB PHE A 18 2.644 0.303 -3.609 1.00 0.00 C ATOM 261 CG PHE A 18 1.901 -0.427 -2.393 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.512 -0.651 -2.379 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.616 -0.877 -1.287 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.116 -1.304 -1.303 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.983 -1.524 -0.221 1.00 0.00 C ATOM 266 CZ PHE A 18 0.625 -1.736 -0.235 1.00 0.00 C ATOM 0 H PHE A 18 1.359 0.546 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 18 3.952 -0.264 -5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.596 0.679 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.046 1.171 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.085 -0.314 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.684 -0.723 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.184 -1.465 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.568 -1.861 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.145 -2.240 0.591 1.00 0.00 H new ATOM 276 N VAL A 19 1.634 -2.413 -4.536 1.00 0.00 N ATOM 277 CA VAL A 19 1.311 -3.739 -4.115 1.00 0.00 C ATOM 278 C VAL A 19 1.585 -4.760 -5.207 1.00 0.00 C ATOM 279 O VAL A 19 2.106 -5.843 -4.938 1.00 0.00 O ATOM 280 CB VAL A 19 -0.147 -3.801 -3.589 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.143 -3.403 -4.639 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.473 -5.135 -2.956 1.00 0.00 C ATOM 0 H VAL A 19 0.818 -1.828 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 19 1.967 -4.005 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.225 -3.060 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.150 -3.461 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.942 -2.382 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.061 -4.077 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.504 -5.128 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.347 -5.928 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.197 -5.312 -2.114 1.00 0.00 H new ATOM 292 N LYS A 20 1.287 -4.392 -6.435 1.00 0.00 N ATOM 293 CA LYS A 20 1.542 -5.261 -7.560 1.00 0.00 C ATOM 294 C LYS A 20 3.050 -5.447 -7.716 1.00 0.00 C ATOM 295 O LYS A 20 3.546 -6.547 -8.003 1.00 0.00 O ATOM 296 CB LYS A 20 0.996 -4.655 -8.822 1.00 0.00 C ATOM 297 CG LYS A 20 -0.493 -4.497 -8.826 1.00 0.00 C ATOM 298 CD LYS A 20 -0.916 -3.907 -10.120 1.00 0.00 C ATOM 299 CE LYS A 20 -2.388 -3.660 -10.219 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.708 -2.910 -11.453 1.00 0.00 N ATOM 0 H LYS A 20 0.867 -3.495 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 20 1.056 -6.220 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.455 -3.678 -8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.287 -5.278 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.974 -5.464 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.805 -3.857 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.388 -2.965 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.614 -4.573 -10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.923 -4.610 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.728 -3.100 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.730 -2.718 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.187 -2.010 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.433 -3.473 -12.283 1.00 0.00 H new ATOM 314 N LYS A 21 3.761 -4.357 -7.492 1.00 0.00 N ATOM 315 CA LYS A 21 5.205 -4.297 -7.560 1.00 0.00 C ATOM 316 C LYS A 21 5.793 -5.179 -6.467 1.00 0.00 C ATOM 317 O LYS A 21 6.722 -5.911 -6.708 1.00 0.00 O ATOM 318 CB LYS A 21 5.645 -2.837 -7.380 1.00 0.00 C ATOM 319 CG LYS A 21 7.062 -2.505 -7.785 1.00 0.00 C ATOM 320 CD LYS A 21 7.314 -1.021 -7.553 1.00 0.00 C ATOM 321 CE LYS A 21 8.619 -0.551 -8.161 1.00 0.00 C ATOM 322 NZ LYS A 21 9.790 -1.266 -7.632 1.00 0.00 N ATOM 0 H LYS A 21 3.334 -3.463 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 21 5.561 -4.658 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.969 -2.204 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.518 -2.569 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.768 -3.101 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.221 -2.753 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.491 -0.446 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.323 -0.821 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.578 -0.683 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.737 0.516 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.659 -0.835 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.794 -1.206 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.747 -2.264 -7.921 1.00 0.00 H new ATOM 336 N ILE A 22 5.210 -5.118 -5.274 1.00 0.00 N ATOM 337 CA ILE A 22 5.633 -5.956 -4.152 1.00 0.00 C ATOM 338 C ILE A 22 5.382 -7.430 -4.462 1.00 0.00 C ATOM 339 O ILE A 22 6.186 -8.290 -4.132 1.00 0.00 O ATOM 340 CB ILE A 22 4.911 -5.559 -2.831 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.294 -4.134 -2.448 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.259 -6.529 -1.696 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.586 -3.603 -1.242 1.00 0.00 C ATOM 0 H ILE A 22 4.435 -4.491 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 22 6.702 -5.796 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 22 3.835 -5.613 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.368 -4.096 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.088 -3.477 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.740 -6.226 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.950 -7.537 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.335 -6.514 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.920 -2.585 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.511 -3.604 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.811 -4.233 -0.381 1.00 0.00 H new ATOM 355 N CYS A 23 4.295 -7.698 -5.144 1.00 0.00 N ATOM 356 CA CYS A 23 3.926 -9.051 -5.513 1.00 0.00 C ATOM 357 C CYS A 23 4.954 -9.656 -6.500 1.00 0.00 C ATOM 358 O CYS A 23 5.145 -10.870 -6.550 1.00 0.00 O ATOM 359 CB CYS A 23 2.512 -9.054 -6.115 1.00 0.00 C ATOM 360 SG CYS A 23 1.817 -10.689 -6.454 1.00 0.00 S ATOM 0 H CYS A 23 3.637 -6.986 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 23 3.928 -9.674 -4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.844 -8.528 -5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.530 -8.486 -7.045 1.00 0.00 H new ATOM 0 HG CYS A 23 0.625 -10.558 -6.956 1.00 0.00 H new ATOM 366 N ARG A 24 5.613 -8.807 -7.279 1.00 0.00 N ATOM 367 CA ARG A 24 6.632 -9.279 -8.215 1.00 0.00 C ATOM 368 C ARG A 24 8.049 -9.070 -7.632 1.00 0.00 C ATOM 369 O ARG A 24 9.041 -9.437 -8.248 1.00 0.00 O ATOM 370 CB ARG A 24 6.525 -8.543 -9.565 1.00 0.00 C ATOM 371 CG ARG A 24 7.038 -7.119 -9.521 1.00 0.00 C ATOM 372 CD ARG A 24 7.013 -6.452 -10.869 1.00 0.00 C ATOM 373 NE ARG A 24 7.837 -5.240 -10.842 1.00 0.00 N ATOM 374 CZ ARG A 24 7.958 -4.331 -11.815 1.00 0.00 C ATOM 375 NH1 ARG A 24 7.151 -4.343 -12.881 1.00 0.00 N ATOM 376 NH2 ARG A 24 8.875 -3.377 -11.696 1.00 0.00 N ATOM 0 H ARG A 24 5.464 -7.798 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 24 6.461 -10.343 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.084 -9.099 -10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.483 -8.535 -9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.433 -6.541 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.058 -7.116 -9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.384 -7.138 -11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.988 -6.199 -11.140 1.00 0.00 H new ATOM 0 HE ARG A 24 8.375 -5.072 -9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.425 -5.055 -12.963 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.261 -3.640 -13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.474 -3.346 -10.871 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.980 -2.676 -12.430 1.00 0.00 H new ATOM 390 N ALA A 25 8.112 -8.531 -6.428 1.00 0.00 N ATOM 391 CA ALA A 25 9.363 -8.052 -5.813 1.00 0.00 C ATOM 392 C ALA A 25 10.167 -9.114 -5.084 1.00 0.00 C ATOM 393 O ALA A 25 11.001 -8.750 -4.245 1.00 0.00 O ATOM 394 CB ALA A 25 9.074 -6.903 -4.869 1.00 0.00 C ATOM 0 H ALA A 25 7.293 -8.407 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 25 9.984 -7.728 -6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.005 -6.557 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.612 -6.085 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.396 -7.239 -4.084 1.00 0.00 H new ATOM 400 N GLU A 26 9.946 -10.401 -5.418 1.00 0.00 N ATOM 401 CA GLU A 26 10.651 -11.552 -4.784 1.00 0.00 C ATOM 402 C GLU A 26 12.144 -11.267 -4.642 1.00 0.00 C ATOM 403 O GLU A 26 12.737 -11.516 -3.586 1.00 0.00 O ATOM 404 CB GLU A 26 10.487 -12.811 -5.628 1.00 0.00 C ATOM 405 CG GLU A 26 9.053 -13.207 -5.908 1.00 0.00 C ATOM 406 CD GLU A 26 8.957 -14.400 -6.815 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.151 -14.240 -8.043 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.652 -15.509 -6.344 1.00 0.00 O ATOM 0 H GLU A 26 9.275 -10.680 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 26 10.209 -11.700 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.000 -12.664 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.985 -13.638 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.549 -13.428 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.528 -12.366 -6.361 1.00 0.00 H new ATOM 415 N GLY A 27 12.715 -10.760 -5.734 1.00 0.00 N ATOM 416 CA GLY A 27 14.086 -10.318 -5.801 1.00 0.00 C ATOM 417 C GLY A 27 15.069 -11.260 -5.189 1.00 0.00 C ATOM 418 O GLY A 27 15.230 -12.401 -5.643 1.00 0.00 O ATOM 0 H GLY A 27 12.213 -10.647 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.354 -10.161 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.168 -9.352 -5.303 1.00 0.00 H new ATOM 422 N ALA A 28 15.692 -10.798 -4.149 1.00 0.00 N ATOM 423 CA ALA A 28 16.701 -11.556 -3.473 1.00 0.00 C ATOM 424 C ALA A 28 16.111 -12.429 -2.374 1.00 0.00 C ATOM 425 O ALA A 28 16.234 -13.653 -2.413 1.00 0.00 O ATOM 426 CB ALA A 28 17.760 -10.629 -2.903 1.00 0.00 C ATOM 0 H ALA A 28 15.514 -9.880 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 28 17.163 -12.219 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.522 -11.218 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.222 -10.063 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.298 -9.940 -2.196 1.00 0.00 H new ATOM 432 N THR A 29 15.469 -11.809 -1.413 1.00 0.00 N ATOM 433 CA THR A 29 14.962 -12.494 -0.241 1.00 0.00 C ATOM 434 C THR A 29 13.627 -11.900 0.192 1.00 0.00 C ATOM 435 O THR A 29 13.158 -10.928 -0.389 1.00 0.00 O ATOM 436 CB THR A 29 15.970 -12.359 0.931 1.00 0.00 C ATOM 437 OG1 THR A 29 16.329 -10.978 1.095 1.00 0.00 O ATOM 438 CG2 THR A 29 17.230 -13.182 0.708 1.00 0.00 C ATOM 0 H THR A 29 15.281 -10.807 -1.419 1.00 0.00 H new ATOM 0 HA THR A 29 14.825 -13.545 -0.496 1.00 0.00 H new ATOM 0 HB THR A 29 15.482 -12.739 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.127 -10.912 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.903 -13.054 1.556 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.965 -14.235 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.726 -12.848 -0.203 1.00 0.00 H new ATOM 446 N GLU A 30 13.045 -12.478 1.222 1.00 0.00 N ATOM 447 CA GLU A 30 11.786 -12.028 1.805 1.00 0.00 C ATOM 448 C GLU A 30 11.952 -10.613 2.363 1.00 0.00 C ATOM 449 O GLU A 30 11.043 -9.792 2.282 1.00 0.00 O ATOM 450 CB GLU A 30 11.401 -13.013 2.909 1.00 0.00 C ATOM 451 CG GLU A 30 10.121 -12.722 3.672 1.00 0.00 C ATOM 452 CD GLU A 30 8.882 -12.873 2.843 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.541 -14.010 2.449 1.00 0.00 O ATOM 454 OE2 GLU A 30 8.181 -11.881 2.627 1.00 0.00 O ATOM 0 H GLU A 30 13.439 -13.293 1.692 1.00 0.00 H new ATOM 0 HA GLU A 30 10.998 -11.997 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.313 -14.004 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.221 -13.057 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.058 -13.392 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.164 -11.706 4.064 1.00 0.00 H new ATOM 461 N GLU A 31 13.137 -10.317 2.899 1.00 0.00 N ATOM 462 CA GLU A 31 13.398 -8.985 3.415 1.00 0.00 C ATOM 463 C GLU A 31 13.596 -7.998 2.254 1.00 0.00 C ATOM 464 O GLU A 31 13.507 -6.789 2.425 1.00 0.00 O ATOM 465 CB GLU A 31 14.602 -8.954 4.372 1.00 0.00 C ATOM 466 CG GLU A 31 15.953 -9.200 3.728 1.00 0.00 C ATOM 467 CD GLU A 31 17.099 -9.058 4.703 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.523 -7.910 5.004 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.618 -10.081 5.181 1.00 0.00 O ATOM 0 H GLU A 31 13.914 -10.972 2.984 1.00 0.00 H new ATOM 0 HA GLU A 31 12.527 -8.682 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.626 -7.983 4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.447 -9.704 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.969 -10.202 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.092 -8.498 2.906 1.00 0.00 H new ATOM 476 N ASP A 32 13.866 -8.534 1.082 1.00 0.00 N ATOM 477 CA ASP A 32 14.029 -7.727 -0.137 1.00 0.00 C ATOM 478 C ASP A 32 12.665 -7.279 -0.623 1.00 0.00 C ATOM 479 O ASP A 32 12.523 -6.189 -1.194 1.00 0.00 O ATOM 480 CB ASP A 32 14.800 -8.510 -1.217 1.00 0.00 C ATOM 481 CG ASP A 32 15.165 -7.694 -2.426 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.807 -6.649 -2.271 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.865 -8.118 -3.558 1.00 0.00 O ATOM 0 H ASP A 32 13.981 -9.537 0.934 1.00 0.00 H new ATOM 0 HA ASP A 32 14.623 -6.841 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.711 -8.914 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.196 -9.360 -1.535 1.00 0.00 H new ATOM 488 N ASP A 33 11.664 -8.117 -0.386 1.00 0.00 N ATOM 489 CA ASP A 33 10.266 -7.740 -0.623 1.00 0.00 C ATOM 490 C ASP A 33 9.906 -6.732 0.424 1.00 0.00 C ATOM 491 O ASP A 33 9.431 -5.621 0.147 1.00 0.00 O ATOM 492 CB ASP A 33 9.287 -8.912 -0.391 1.00 0.00 C ATOM 493 CG ASP A 33 9.449 -10.142 -1.242 1.00 0.00 C ATOM 494 OD1 ASP A 33 8.841 -10.213 -2.315 1.00 0.00 O ATOM 495 OD2 ASP A 33 10.061 -11.119 -0.784 1.00 0.00 O ATOM 0 H ASP A 33 11.789 -9.064 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 33 10.186 -7.391 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.368 -9.214 0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.274 -8.536 -0.536 1.00 0.00 H new ATOM 500 N ASN A 34 10.183 -7.133 1.642 1.00 0.00 N ATOM 501 CA ASN A 34 9.833 -6.416 2.843 1.00 0.00 C ATOM 502 C ASN A 34 10.403 -5.011 2.889 1.00 0.00 C ATOM 503 O ASN A 34 9.767 -4.120 3.430 1.00 0.00 O ATOM 504 CB ASN A 34 10.276 -7.191 4.062 1.00 0.00 C ATOM 505 CG ASN A 34 9.679 -6.663 5.340 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.244 -5.830 5.990 1.00 0.00 O ATOM 507 ND2 ASN A 34 8.545 -7.172 5.710 1.00 0.00 N ATOM 0 H ASN A 34 10.679 -8.004 1.830 1.00 0.00 H new ATOM 0 HA ASN A 34 8.748 -6.316 2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.997 -8.238 3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.363 -7.157 4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.107 -6.865 6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.091 -7.880 5.133 1.00 0.00 H new ATOM 514 N LYS A 35 11.591 -4.797 2.304 1.00 0.00 N ATOM 515 CA LYS A 35 12.198 -3.464 2.296 1.00 0.00 C ATOM 516 C LYS A 35 11.257 -2.484 1.607 1.00 0.00 C ATOM 517 O LYS A 35 11.129 -1.327 2.022 1.00 0.00 O ATOM 518 CB LYS A 35 13.593 -3.437 1.606 1.00 0.00 C ATOM 519 CG LYS A 35 13.568 -3.566 0.083 1.00 0.00 C ATOM 520 CD LYS A 35 14.945 -3.408 -0.533 1.00 0.00 C ATOM 521 CE LYS A 35 14.864 -3.312 -2.059 1.00 0.00 C ATOM 522 NZ LYS A 35 14.316 -4.536 -2.690 1.00 0.00 N ATOM 0 H LYS A 35 12.141 -5.519 1.838 1.00 0.00 H new ATOM 0 HA LYS A 35 12.357 -3.173 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.092 -2.504 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.198 -4.247 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.160 -4.539 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.899 -2.812 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.423 -2.513 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.571 -4.255 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.241 -2.460 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.860 -3.119 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.939 -4.303 -3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.071 -5.245 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.553 -4.920 -2.097 1.00 0.00 H new ATOM 536 N LEU A 36 10.570 -2.965 0.567 1.00 0.00 N ATOM 537 CA LEU A 36 9.611 -2.133 -0.128 1.00 0.00 C ATOM 538 C LEU A 36 8.398 -1.940 0.747 1.00 0.00 C ATOM 539 O LEU A 36 7.943 -0.821 0.949 1.00 0.00 O ATOM 540 CB LEU A 36 9.207 -2.733 -1.486 1.00 0.00 C ATOM 541 CG LEU A 36 10.343 -2.948 -2.494 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.800 -3.526 -3.787 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.075 -1.641 -2.768 1.00 0.00 C ATOM 0 H LEU A 36 10.664 -3.912 0.200 1.00 0.00 H new ATOM 0 HA LEU A 36 10.077 -1.169 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.722 -3.692 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.463 -2.080 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 36 11.051 -3.656 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.618 -3.673 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.320 -4.483 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.071 -2.838 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.877 -1.816 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.376 -0.911 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.497 -1.259 -1.839 1.00 0.00 H new ATOM 555 N VAL A 37 7.931 -3.036 1.325 1.00 0.00 N ATOM 556 CA VAL A 37 6.753 -3.021 2.190 1.00 0.00 C ATOM 557 C VAL A 37 6.928 -2.018 3.340 1.00 0.00 C ATOM 558 O VAL A 37 6.021 -1.268 3.640 1.00 0.00 O ATOM 559 CB VAL A 37 6.452 -4.420 2.792 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.140 -4.401 3.560 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.417 -5.486 1.717 1.00 0.00 C ATOM 0 H VAL A 37 8.352 -3.958 1.211 1.00 0.00 H new ATOM 0 HA VAL A 37 5.914 -2.723 1.561 1.00 0.00 H new ATOM 0 HB VAL A 37 7.259 -4.664 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.947 -5.390 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.203 -3.674 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.328 -4.124 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.204 -6.454 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.639 -5.246 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.383 -5.526 1.213 1.00 0.00 H new ATOM 571 N ARG A 38 8.113 -1.995 3.943 1.00 0.00 N ATOM 572 CA ARG A 38 8.382 -1.107 5.073 1.00 0.00 C ATOM 573 C ARG A 38 8.221 0.356 4.720 1.00 0.00 C ATOM 574 O ARG A 38 7.593 1.104 5.479 1.00 0.00 O ATOM 575 CB ARG A 38 9.761 -1.333 5.704 1.00 0.00 C ATOM 576 CG ARG A 38 9.966 -2.706 6.293 1.00 0.00 C ATOM 577 CD ARG A 38 11.268 -2.794 7.078 1.00 0.00 C ATOM 578 NE ARG A 38 11.500 -4.152 7.581 1.00 0.00 N ATOM 579 CZ ARG A 38 12.298 -4.506 8.595 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.036 -3.597 9.221 1.00 0.00 N ATOM 581 NH2 ARG A 38 12.385 -5.785 8.947 1.00 0.00 N ATOM 0 H ARG A 38 8.903 -2.580 3.669 1.00 0.00 H new ATOM 0 HA ARG A 38 7.625 -1.370 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.525 -1.160 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.914 -0.590 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.129 -2.950 6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.972 -3.447 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.100 -2.494 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.238 -2.095 7.914 1.00 0.00 H new ATOM 0 HE ARG A 38 11.001 -4.905 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.997 -2.620 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.642 -3.875 9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.845 -6.490 8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.992 -6.061 9.719 1.00 0.00 H new ATOM 595 N GLU A 39 8.745 0.770 3.568 1.00 0.00 N ATOM 596 CA GLU A 39 8.671 2.173 3.217 1.00 0.00 C ATOM 597 C GLU A 39 7.238 2.565 2.934 1.00 0.00 C ATOM 598 O GLU A 39 6.773 3.612 3.397 1.00 0.00 O ATOM 599 CB GLU A 39 9.596 2.578 2.054 1.00 0.00 C ATOM 600 CG GLU A 39 9.210 2.076 0.677 1.00 0.00 C ATOM 601 CD GLU A 39 10.043 2.722 -0.388 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.265 2.463 -0.440 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.514 3.544 -1.171 1.00 0.00 O ATOM 0 H GLU A 39 9.210 0.171 2.886 1.00 0.00 H new ATOM 0 HA GLU A 39 9.037 2.725 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.644 3.666 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.601 2.222 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.334 0.994 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.156 2.283 0.494 1.00 0.00 H new ATOM 610 N PHE A 40 6.526 1.698 2.223 1.00 0.00 N ATOM 611 CA PHE A 40 5.145 1.941 1.896 1.00 0.00 C ATOM 612 C PHE A 40 4.287 1.945 3.152 1.00 0.00 C ATOM 613 O PHE A 40 3.460 2.822 3.333 1.00 0.00 O ATOM 614 CB PHE A 40 4.622 0.936 0.868 1.00 0.00 C ATOM 615 CG PHE A 40 5.227 1.063 -0.522 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.025 2.202 -1.289 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.956 0.023 -1.074 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.544 2.293 -2.573 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.481 0.111 -2.350 1.00 0.00 C ATOM 620 CZ PHE A 40 6.275 1.243 -3.102 1.00 0.00 C ATOM 0 H PHE A 40 6.895 0.817 1.864 1.00 0.00 H new ATOM 0 HA PHE A 40 5.081 2.929 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.810 -0.071 1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.541 1.050 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.458 3.026 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.118 -0.875 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.377 3.184 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.053 -0.710 -2.756 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.681 1.313 -4.100 1.00 0.00 H new ATOM 630 N GLU A 41 4.548 1.010 4.044 1.00 0.00 N ATOM 631 CA GLU A 41 3.829 0.913 5.294 1.00 0.00 C ATOM 632 C GLU A 41 4.083 2.055 6.257 1.00 0.00 C ATOM 633 O GLU A 41 3.309 2.294 7.174 1.00 0.00 O ATOM 634 CB GLU A 41 3.970 -0.461 5.923 1.00 0.00 C ATOM 635 CG GLU A 41 2.968 -1.393 5.301 1.00 0.00 C ATOM 636 CD GLU A 41 1.619 -0.759 5.422 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.141 -0.659 6.561 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.039 -0.328 4.421 1.00 0.00 O ATOM 0 H GLU A 41 5.266 0.296 3.920 1.00 0.00 H new ATOM 0 HA GLU A 41 2.776 1.030 5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.980 -0.841 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.809 -0.400 6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.213 -1.574 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.982 -2.360 5.804 1.00 0.00 H new ATOM 645 N ARG A 42 5.149 2.766 6.063 1.00 0.00 N ATOM 646 CA ARG A 42 5.379 3.960 6.845 1.00 0.00 C ATOM 647 C ARG A 42 4.710 5.165 6.233 1.00 0.00 C ATOM 648 O ARG A 42 4.452 6.159 6.904 1.00 0.00 O ATOM 649 CB ARG A 42 6.842 4.187 7.165 1.00 0.00 C ATOM 650 CG ARG A 42 7.197 3.663 8.532 1.00 0.00 C ATOM 651 CD ARG A 42 7.061 2.148 8.654 1.00 0.00 C ATOM 652 NE ARG A 42 7.175 1.713 10.053 1.00 0.00 N ATOM 653 CZ ARG A 42 7.376 0.458 10.482 1.00 0.00 C ATOM 654 NH1 ARG A 42 7.555 -0.544 9.611 1.00 0.00 N ATOM 655 NH2 ARG A 42 7.380 0.218 11.786 1.00 0.00 N ATOM 0 H ARG A 42 5.874 2.551 5.378 1.00 0.00 H new ATOM 0 HA ARG A 42 4.902 3.798 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.460 3.695 6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.065 5.253 7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.222 3.949 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.555 4.139 9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.099 1.833 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.832 1.662 8.056 1.00 0.00 H new ATOM 0 HE ARG A 42 7.093 2.436 10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.539 -0.357 8.608 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.707 -1.494 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.232 0.982 12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.531 -0.730 12.130 1.00 0.00 H new ATOM 669 N LEU A 43 4.417 5.055 4.972 1.00 0.00 N ATOM 670 CA LEU A 43 3.714 6.090 4.240 1.00 0.00 C ATOM 671 C LEU A 43 2.216 5.999 4.539 1.00 0.00 C ATOM 672 O LEU A 43 1.492 6.996 4.512 1.00 0.00 O ATOM 673 CB LEU A 43 3.934 5.911 2.736 1.00 0.00 C ATOM 674 CG LEU A 43 5.354 6.041 2.216 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.389 5.687 0.744 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.865 7.457 2.417 1.00 0.00 C ATOM 0 H LEU A 43 4.657 4.240 4.408 1.00 0.00 H new ATOM 0 HA LEU A 43 4.097 7.063 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.562 4.925 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.317 6.644 2.216 1.00 0.00 H new ATOM 0 HG LEU A 43 5.997 5.357 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.409 5.781 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.046 4.661 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.737 6.364 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.884 7.533 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.225 8.155 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.853 7.701 3.479 1.00 0.00 H new ATOM 688 N THR A 44 1.772 4.801 4.822 1.00 0.00 N ATOM 689 CA THR A 44 0.383 4.524 5.086 1.00 0.00 C ATOM 690 C THR A 44 0.081 4.612 6.561 1.00 0.00 C ATOM 691 O THR A 44 -0.965 5.162 6.962 1.00 0.00 O ATOM 692 CB THR A 44 0.056 3.107 4.598 1.00 0.00 C ATOM 693 OG1 THR A 44 0.959 2.195 5.209 1.00 0.00 O ATOM 694 CG2 THR A 44 0.224 3.038 3.115 1.00 0.00 C ATOM 0 H THR A 44 2.374 3.979 4.876 1.00 0.00 H new ATOM 0 HA THR A 44 -0.222 5.264 4.562 1.00 0.00 H new ATOM 0 HB THR A 44 -0.972 2.855 4.860 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.009 1.376 4.673 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.008 2.031 2.769 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.450 3.750 2.639 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.254 3.283 2.854 1.00 0.00 H new ATOM 702 N GLU A 45 1.025 4.068 7.361 1.00 0.00 N ATOM 703 CA GLU A 45 0.889 3.878 8.798 1.00 0.00 C ATOM 704 C GLU A 45 -0.244 2.899 9.012 1.00 0.00 C ATOM 705 O GLU A 45 -0.894 2.875 10.064 1.00 0.00 O ATOM 706 CB GLU A 45 0.611 5.186 9.545 1.00 0.00 C ATOM 707 CG GLU A 45 1.653 6.259 9.357 1.00 0.00 C ATOM 708 CD GLU A 45 1.409 7.426 10.267 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.547 8.279 9.959 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.050 7.505 11.336 1.00 0.00 O ATOM 0 H GLU A 45 1.923 3.744 7.002 1.00 0.00 H new ATOM 0 HA GLU A 45 1.829 3.499 9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.353 5.576 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.523 4.968 10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.642 5.845 9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.647 6.597 8.321 1.00 0.00 H new ATOM 717 N HIS A 46 -0.438 2.041 8.025 1.00 0.00 N ATOM 718 CA HIS A 46 -1.543 1.163 8.030 1.00 0.00 C ATOM 719 C HIS A 46 -1.283 -0.069 8.943 1.00 0.00 C ATOM 720 O HIS A 46 -0.302 -0.767 8.816 1.00 0.00 O ATOM 721 CB HIS A 46 -1.982 0.791 6.586 1.00 0.00 C ATOM 722 CG HIS A 46 -3.306 0.107 6.564 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.494 -1.180 6.978 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.534 0.622 6.380 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.807 -1.389 7.080 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.481 -0.331 6.712 1.00 0.00 N ATOM 0 H HIS A 46 0.174 1.951 7.214 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.393 1.684 8.470 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.030 1.694 5.978 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.231 0.142 6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.748 1.621 6.029 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.255 -2.311 7.422 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.495 -0.229 6.677 1.00 0.00 H new ATOM 734 N PRO A 47 -2.202 -0.333 9.857 1.00 0.00 N ATOM 735 CA PRO A 47 -2.073 -1.374 10.887 1.00 0.00 C ATOM 736 C PRO A 47 -1.833 -2.747 10.345 1.00 0.00 C ATOM 737 O PRO A 47 -0.955 -3.477 10.802 1.00 0.00 O ATOM 738 CB PRO A 47 -3.427 -1.361 11.567 1.00 0.00 C ATOM 739 CG PRO A 47 -4.314 -0.511 10.751 1.00 0.00 C ATOM 740 CD PRO A 47 -3.458 0.371 9.962 1.00 0.00 C ATOM 0 HA PRO A 47 -1.217 -1.164 11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.828 -2.371 11.646 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.345 -0.970 12.581 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.941 -1.121 10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.983 0.069 11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.887 0.563 8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.330 1.338 10.449 1.00 0.00 H new ATOM 748 N ASP A 48 -2.565 -3.056 9.336 1.00 0.00 N ATOM 749 CA ASP A 48 -2.578 -4.355 8.780 1.00 0.00 C ATOM 750 C ASP A 48 -1.953 -4.281 7.441 1.00 0.00 C ATOM 751 O ASP A 48 -2.102 -5.164 6.654 1.00 0.00 O ATOM 752 CB ASP A 48 -4.015 -4.900 8.628 1.00 0.00 C ATOM 753 CG ASP A 48 -4.737 -5.134 9.931 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.599 -6.240 10.516 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.479 -4.251 10.377 1.00 0.00 O ATOM 0 H ASP A 48 -3.184 -2.396 8.865 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.034 -5.027 9.445 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.594 -4.199 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.977 -5.838 8.075 1.00 0.00 H new ATOM 760 N GLY A 49 -1.237 -3.199 7.198 1.00 0.00 N ATOM 761 CA GLY A 49 -0.620 -2.964 5.871 1.00 0.00 C ATOM 762 C GLY A 49 0.293 -4.052 5.442 1.00 0.00 C ATOM 763 O GLY A 49 0.134 -4.624 4.358 1.00 0.00 O ATOM 0 H GLY A 49 -1.059 -2.465 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.409 -2.848 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.067 -2.025 5.897 1.00 0.00 H new ATOM 767 N SER A 50 1.202 -4.392 6.288 1.00 0.00 N ATOM 768 CA SER A 50 2.109 -5.488 5.964 1.00 0.00 C ATOM 769 C SER A 50 1.436 -6.855 6.072 1.00 0.00 C ATOM 770 O SER A 50 2.026 -7.873 5.760 1.00 0.00 O ATOM 771 CB SER A 50 3.450 -5.422 6.707 1.00 0.00 C ATOM 772 OG SER A 50 3.298 -5.127 8.090 1.00 0.00 O ATOM 0 H SER A 50 1.353 -3.951 7.196 1.00 0.00 H new ATOM 0 HA SER A 50 2.364 -5.352 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.968 -6.375 6.598 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.080 -4.662 6.245 1.00 0.00 H new ATOM 0 HG SER A 50 4.180 -5.098 8.517 1.00 0.00 H new ATOM 778 N ASP A 51 0.219 -6.869 6.544 1.00 0.00 N ATOM 779 CA ASP A 51 -0.576 -8.075 6.541 1.00 0.00 C ATOM 780 C ASP A 51 -1.345 -8.183 5.244 1.00 0.00 C ATOM 781 O ASP A 51 -1.356 -9.218 4.645 1.00 0.00 O ATOM 782 CB ASP A 51 -1.528 -8.168 7.738 1.00 0.00 C ATOM 783 CG ASP A 51 -0.809 -8.345 9.046 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.386 -9.472 9.358 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.648 -7.361 9.792 1.00 0.00 O ATOM 0 H ASP A 51 -0.250 -6.054 6.939 1.00 0.00 H new ATOM 0 HA ASP A 51 0.115 -8.913 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.136 -7.264 7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.211 -9.005 7.589 1.00 0.00 H new ATOM 790 N LEU A 52 -1.905 -7.049 4.786 1.00 0.00 N ATOM 791 CA LEU A 52 -2.771 -6.931 3.572 1.00 0.00 C ATOM 792 C LEU A 52 -2.217 -7.658 2.374 1.00 0.00 C ATOM 793 O LEU A 52 -2.940 -8.337 1.646 1.00 0.00 O ATOM 794 CB LEU A 52 -2.938 -5.449 3.148 1.00 0.00 C ATOM 795 CG LEU A 52 -3.590 -4.496 4.138 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.657 -3.107 3.553 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.971 -4.967 4.513 1.00 0.00 C ATOM 0 H LEU A 52 -1.770 -6.154 5.257 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.722 -7.378 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.950 -5.057 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.523 -5.428 2.228 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.981 -4.475 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.125 -2.433 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.649 -2.757 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.245 -3.127 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.414 -4.267 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.592 -5.020 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.907 -5.955 4.970 1.00 0.00 H new ATOM 809 N ILE A 53 -0.938 -7.535 2.198 1.00 0.00 N ATOM 810 CA ILE A 53 -0.290 -8.027 1.006 1.00 0.00 C ATOM 811 C ILE A 53 -0.158 -9.529 1.071 1.00 0.00 C ATOM 812 O ILE A 53 -0.317 -10.236 0.079 1.00 0.00 O ATOM 813 CB ILE A 53 1.114 -7.389 0.876 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.999 -5.861 0.977 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.775 -7.794 -0.446 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.324 -5.148 1.031 1.00 0.00 C ATOM 0 H ILE A 53 -0.309 -7.094 2.869 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.893 -7.759 0.138 1.00 0.00 H new ATOM 0 HB ILE A 53 1.742 -7.752 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.435 -5.492 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.426 -5.608 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.761 -7.334 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.877 -8.879 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.158 -7.458 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.156 -4.073 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.884 -5.486 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.893 -5.368 0.127 1.00 0.00 H new ATOM 828 N TYR A 54 0.091 -9.990 2.246 1.00 0.00 N ATOM 829 CA TYR A 54 0.405 -11.358 2.490 1.00 0.00 C ATOM 830 C TYR A 54 -0.812 -12.204 2.886 1.00 0.00 C ATOM 831 O TYR A 54 -0.925 -13.377 2.506 1.00 0.00 O ATOM 832 CB TYR A 54 1.488 -11.400 3.540 1.00 0.00 C ATOM 833 CG TYR A 54 2.766 -10.707 3.099 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.647 -11.324 2.231 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.077 -9.432 3.546 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.799 -10.690 1.821 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.226 -8.783 3.150 1.00 0.00 C ATOM 838 CZ TYR A 54 5.088 -9.423 2.280 1.00 0.00 C ATOM 839 OH TYR A 54 6.241 -8.793 1.861 1.00 0.00 O ATOM 0 H TYR A 54 0.082 -9.413 3.087 1.00 0.00 H new ATOM 0 HA TYR A 54 0.756 -11.810 1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.121 -10.929 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.710 -12.439 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.429 -12.318 1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.400 -8.934 4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.475 -11.185 1.140 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.449 -7.791 3.513 1.00 0.00 H new ATOM 0 HH TYR A 54 6.473 -9.101 0.960 1.00 0.00 H new ATOM 849 N TYR A 55 -1.711 -11.616 3.621 1.00 0.00 N ATOM 850 CA TYR A 55 -2.856 -12.287 4.141 1.00 0.00 C ATOM 851 C TYR A 55 -4.096 -11.492 3.793 1.00 0.00 C ATOM 852 O TYR A 55 -4.079 -10.257 3.832 1.00 0.00 O ATOM 853 CB TYR A 55 -2.779 -12.393 5.681 1.00 0.00 C ATOM 854 CG TYR A 55 -1.538 -13.061 6.225 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.429 -14.441 6.267 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.474 -12.302 6.700 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.296 -15.048 6.766 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.661 -12.900 7.197 1.00 0.00 C ATOM 859 CZ TYR A 55 0.746 -14.272 7.229 1.00 0.00 C ATOM 860 OH TYR A 55 1.885 -14.877 7.720 1.00 0.00 O ATOM 0 H TYR A 55 -1.662 -10.630 3.879 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.892 -13.287 3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.844 -11.389 6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.651 -12.943 6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.243 -15.050 5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.540 -11.224 6.678 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.225 -16.125 6.794 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.480 -12.296 7.560 1.00 0.00 H new ATOM 0 HH TYR A 55 2.523 -14.190 8.005 1.00 0.00 H new ATOM 870 N PRO A 56 -5.171 -12.172 3.436 1.00 0.00 N ATOM 871 CA PRO A 56 -6.461 -11.537 3.213 1.00 0.00 C ATOM 872 C PRO A 56 -7.022 -11.115 4.563 1.00 0.00 C ATOM 873 O PRO A 56 -6.579 -11.625 5.604 1.00 0.00 O ATOM 874 CB PRO A 56 -7.308 -12.671 2.631 1.00 0.00 C ATOM 875 CG PRO A 56 -6.684 -13.904 3.183 1.00 0.00 C ATOM 876 CD PRO A 56 -5.219 -13.619 3.230 1.00 0.00 C ATOM 0 HA PRO A 56 -6.426 -10.659 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.352 -12.584 2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.287 -12.666 1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.072 -14.130 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.896 -14.768 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.729 -14.158 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.721 -13.912 2.306 1.00 0.00 H new ATOM 884 N ARG A 57 -7.962 -10.214 4.599 1.00 0.00 N ATOM 885 CA ARG A 57 -8.462 -9.841 5.893 1.00 0.00 C ATOM 886 C ARG A 57 -9.688 -10.680 6.234 1.00 0.00 C ATOM 887 O ARG A 57 -9.589 -11.904 6.336 1.00 0.00 O ATOM 888 CB ARG A 57 -8.760 -8.345 5.975 1.00 0.00 C ATOM 889 CG ARG A 57 -7.606 -7.445 5.619 1.00 0.00 C ATOM 890 CD ARG A 57 -7.932 -6.003 5.952 1.00 0.00 C ATOM 891 NE ARG A 57 -7.912 -5.757 7.399 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.491 -4.718 8.019 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.297 -3.901 7.354 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.270 -4.511 9.308 1.00 0.00 N ATOM 0 H ARG A 57 -8.380 -9.745 3.795 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.688 -10.042 6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.595 -8.119 5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.085 -8.110 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.714 -7.757 6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.381 -7.537 4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.213 -5.346 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.916 -5.752 5.555 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.417 -6.432 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.481 -4.060 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.733 -3.113 7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.660 -5.141 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.710 -3.721 9.780 1.00 0.00 H new ATOM 908 N ASP A 58 -10.821 -10.054 6.380 1.00 0.00 N ATOM 909 CA ASP A 58 -12.057 -10.783 6.606 1.00 0.00 C ATOM 910 C ASP A 58 -13.068 -10.472 5.526 1.00 0.00 C ATOM 911 O ASP A 58 -13.504 -11.353 4.780 1.00 0.00 O ATOM 912 CB ASP A 58 -12.624 -10.512 8.001 1.00 0.00 C ATOM 913 CG ASP A 58 -13.931 -11.232 8.252 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.926 -12.468 8.444 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.994 -10.571 8.246 1.00 0.00 O ATOM 0 H ASP A 58 -10.925 -9.040 6.348 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.830 -11.848 6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.895 -10.820 8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.775 -9.440 8.125 1.00 0.00 H new ATOM 920 N ASP A 59 -13.427 -9.214 5.446 1.00 0.00 N ATOM 921 CA ASP A 59 -14.376 -8.728 4.458 1.00 0.00 C ATOM 922 C ASP A 59 -13.639 -8.209 3.243 1.00 0.00 C ATOM 923 O ASP A 59 -14.164 -8.202 2.127 1.00 0.00 O ATOM 924 CB ASP A 59 -15.243 -7.609 5.065 1.00 0.00 C ATOM 925 CG ASP A 59 -16.203 -6.982 4.070 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.232 -7.624 3.723 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.971 -5.828 3.646 1.00 0.00 O ATOM 0 H ASP A 59 -13.069 -8.488 6.067 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.022 -9.552 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.812 -8.014 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.592 -6.833 5.468 1.00 0.00 H new ATOM 932 N ARG A 60 -12.404 -7.824 3.452 1.00 0.00 N ATOM 933 CA ARG A 60 -11.612 -7.254 2.426 1.00 0.00 C ATOM 934 C ARG A 60 -11.044 -8.311 1.512 1.00 0.00 C ATOM 935 O ARG A 60 -10.508 -9.332 1.959 1.00 0.00 O ATOM 936 CB ARG A 60 -10.511 -6.434 3.038 1.00 0.00 C ATOM 937 CG ARG A 60 -9.538 -5.853 2.060 1.00 0.00 C ATOM 938 CD ARG A 60 -10.197 -4.859 1.101 1.00 0.00 C ATOM 939 NE ARG A 60 -10.745 -3.682 1.786 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.486 -2.728 1.203 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.034 -2.944 0.006 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.733 -1.596 1.854 1.00 0.00 N ATOM 0 H ARG A 60 -11.930 -7.904 4.351 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.247 -6.610 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.958 -5.621 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.964 -7.057 3.745 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.736 -5.353 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.080 -6.658 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.464 -4.535 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.997 -5.362 0.557 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.547 -3.582 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.890 -3.836 -0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.597 -2.217 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.360 -1.456 2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.296 -0.868 1.415 1.00 0.00 H new ATOM 956 N GLU A 61 -11.163 -8.024 0.259 1.00 0.00 N ATOM 957 CA GLU A 61 -10.701 -8.850 -0.826 1.00 0.00 C ATOM 958 C GLU A 61 -9.181 -8.814 -0.946 1.00 0.00 C ATOM 959 O GLU A 61 -8.533 -7.783 -0.691 1.00 0.00 O ATOM 960 CB GLU A 61 -11.337 -8.336 -2.126 1.00 0.00 C ATOM 961 CG GLU A 61 -10.894 -9.039 -3.405 1.00 0.00 C ATOM 962 CD GLU A 61 -11.233 -10.509 -3.437 1.00 0.00 C ATOM 963 OE1 GLU A 61 -10.580 -11.298 -2.723 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.167 -10.904 -4.172 1.00 0.00 O ATOM 0 H GLU A 61 -11.607 -7.164 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.991 -9.883 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.420 -8.428 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.114 -7.273 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.361 -8.549 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.816 -8.921 -3.520 1.00 0.00 H new ATOM 971 N ASP A 62 -8.639 -9.923 -1.358 1.00 0.00 N ATOM 972 CA ASP A 62 -7.242 -10.064 -1.615 1.00 0.00 C ATOM 973 C ASP A 62 -6.991 -9.870 -3.090 1.00 0.00 C ATOM 974 O ASP A 62 -7.098 -10.799 -3.893 1.00 0.00 O ATOM 975 CB ASP A 62 -6.713 -11.429 -1.140 1.00 0.00 C ATOM 976 CG ASP A 62 -5.300 -11.739 -1.642 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.432 -10.850 -1.625 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.046 -12.880 -2.114 1.00 0.00 O ATOM 0 H ASP A 62 -9.174 -10.775 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.702 -9.304 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.717 -11.453 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.391 -12.212 -1.479 1.00 0.00 H new ATOM 983 N SER A 63 -6.819 -8.640 -3.467 1.00 0.00 N ATOM 984 CA SER A 63 -6.450 -8.302 -4.805 1.00 0.00 C ATOM 985 C SER A 63 -5.576 -7.075 -4.697 1.00 0.00 C ATOM 986 O SER A 63 -5.763 -6.321 -3.743 1.00 0.00 O ATOM 987 CB SER A 63 -7.720 -8.000 -5.613 1.00 0.00 C ATOM 988 OG SER A 63 -8.613 -9.106 -5.590 1.00 0.00 O ATOM 0 H SER A 63 -6.932 -7.837 -2.849 1.00 0.00 H new ATOM 0 HA SER A 63 -5.920 -9.110 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.215 -7.120 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.453 -7.765 -6.643 1.00 0.00 H new ATOM 0 HG SER A 63 -9.415 -8.890 -6.110 1.00 0.00 H new ATOM 994 N PRO A 64 -4.595 -6.849 -5.618 1.00 0.00 N ATOM 995 CA PRO A 64 -3.739 -5.651 -5.579 1.00 0.00 C ATOM 996 C PRO A 64 -4.586 -4.377 -5.440 1.00 0.00 C ATOM 997 O PRO A 64 -4.292 -3.509 -4.633 1.00 0.00 O ATOM 998 CB PRO A 64 -2.997 -5.693 -6.940 1.00 0.00 C ATOM 999 CG PRO A 64 -2.952 -7.130 -7.286 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.215 -7.755 -6.729 1.00 0.00 C ATOM 0 HA PRO A 64 -3.056 -5.639 -4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.526 -5.117 -7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.995 -5.271 -6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.898 -7.266 -8.366 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.067 -7.602 -6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.999 -7.814 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.037 -8.770 -6.375 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.683 -4.338 -6.166 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.592 -3.211 -6.135 1.00 0.00 C ATOM 1010 C GLU A 65 -7.333 -3.132 -4.777 1.00 0.00 C ATOM 1011 O GLU A 65 -7.507 -2.051 -4.211 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.569 -3.330 -7.303 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.866 -3.448 -8.654 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.805 -3.648 -9.806 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.235 -4.792 -10.037 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.107 -2.673 -10.514 1.00 0.00 O ATOM 0 H GLU A 65 -5.970 -5.088 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.028 -2.284 -6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.204 -4.203 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.223 -2.458 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.278 -2.547 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.166 -4.283 -8.618 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.684 -4.293 -4.240 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.429 -4.371 -2.987 1.00 0.00 C ATOM 1025 C GLY A 66 -7.584 -4.025 -1.771 1.00 0.00 C ATOM 1026 O GLY A 66 -8.065 -3.418 -0.816 1.00 0.00 O ATOM 0 H GLY A 66 -7.464 -5.199 -4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.282 -3.694 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.828 -5.378 -2.870 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.334 -4.412 -1.817 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.363 -4.116 -0.765 1.00 0.00 C ATOM 1032 C ILE A 67 -5.177 -2.609 -0.632 1.00 0.00 C ATOM 1033 O ILE A 67 -5.247 -2.044 0.469 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.021 -4.808 -1.098 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.185 -6.325 -0.951 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.860 -4.270 -0.251 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -3.016 -7.123 -1.450 1.00 0.00 C ATOM 0 H ILE A 67 -5.946 -4.950 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.729 -4.497 0.188 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.760 -4.579 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.349 -6.561 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.079 -6.636 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.940 -4.788 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.742 -3.202 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.072 -4.437 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.214 -8.186 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.863 -6.920 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.121 -6.844 -0.894 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.995 -1.974 -1.761 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.843 -0.538 -1.835 1.00 0.00 C ATOM 1051 C VAL A 68 -6.086 0.138 -1.362 1.00 0.00 C ATOM 1052 O VAL A 68 -6.026 1.119 -0.629 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.543 -0.124 -3.271 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.531 1.405 -3.430 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.222 -0.716 -3.641 1.00 0.00 C ATOM 0 H VAL A 68 -4.947 -2.441 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.014 -0.238 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.325 -0.492 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.314 1.661 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.506 1.807 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.765 1.832 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.974 -0.440 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.453 -0.339 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.274 -1.802 -3.560 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.206 -0.426 -1.756 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.497 0.075 -1.408 1.00 0.00 C ATOM 1067 C LYS A 69 -8.645 0.160 0.085 1.00 0.00 C ATOM 1068 O LYS A 69 -9.127 1.149 0.586 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.559 -0.832 -1.933 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.882 -0.152 -2.049 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.146 0.294 -3.482 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.237 1.463 -3.889 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.518 1.975 -5.243 1.00 0.00 N ATOM 0 H LYS A 69 -7.235 -1.263 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.600 1.068 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.260 -1.209 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.654 -1.695 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.672 -0.829 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.910 0.712 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.986 -0.545 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.190 0.592 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.355 2.273 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.197 1.140 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.213 2.967 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.001 1.406 -5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.539 1.914 -5.432 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.181 -0.864 0.788 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.280 -0.896 2.230 1.00 0.00 C ATOM 1089 C GLU A 70 -7.535 0.294 2.817 1.00 0.00 C ATOM 1090 O GLU A 70 -8.116 1.090 3.541 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.713 -2.194 2.794 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.063 -2.407 4.254 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.544 -2.655 4.447 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.361 -1.742 4.268 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.920 -3.795 4.724 1.00 0.00 O ATOM 0 H GLU A 70 -7.732 -1.682 0.377 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.334 -0.842 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.090 -3.033 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.629 -2.189 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.499 -3.255 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.763 -1.532 4.831 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.265 0.431 2.431 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.408 1.535 2.854 1.00 0.00 C ATOM 1104 C ILE A 71 -6.030 2.886 2.525 1.00 0.00 C ATOM 1105 O ILE A 71 -6.013 3.818 3.331 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.012 1.410 2.188 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.228 0.339 2.906 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.243 2.733 2.191 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.961 -0.044 2.230 1.00 0.00 C ATOM 0 H ILE A 71 -5.800 -0.230 1.809 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.297 1.477 3.937 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.153 1.138 1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.999 0.686 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.854 -0.547 3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.273 2.591 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.811 3.485 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.097 3.066 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.459 -0.818 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.181 -0.424 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.312 0.829 2.151 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.576 2.965 1.355 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.177 4.132 0.825 1.00 0.00 C ATOM 1123 C LYS A 72 -8.402 4.524 1.650 1.00 0.00 C ATOM 1124 O LYS A 72 -8.431 5.610 2.247 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.517 3.790 -0.630 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.009 4.880 -1.533 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.458 5.103 -1.388 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.962 5.835 -2.575 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.356 6.273 -2.409 1.00 0.00 N ATOM 0 H LYS A 72 -6.613 2.172 0.715 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.519 5.000 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.624 3.362 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.274 3.006 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.476 5.804 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.783 4.623 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.976 4.149 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.661 5.673 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.330 6.704 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.887 5.194 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.665 6.780 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.965 5.443 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.425 6.906 -1.587 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.359 3.615 1.749 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.602 3.901 2.431 1.00 0.00 C ATOM 1145 C GLU A 73 -10.391 4.088 3.935 1.00 0.00 C ATOM 1146 O GLU A 73 -11.051 4.919 4.567 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.630 2.814 2.142 1.00 0.00 C ATOM 1148 CG GLU A 73 -11.772 2.516 0.653 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.972 1.669 0.306 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.093 0.521 0.819 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.796 2.117 -0.525 1.00 0.00 O ATOM 0 H GLU A 73 -9.294 2.673 1.364 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.988 4.845 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.344 1.901 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.597 3.120 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.836 3.459 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.871 2.010 0.307 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.451 3.344 4.483 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.110 3.416 5.900 1.00 0.00 C ATOM 1160 C TRP A 74 -8.545 4.787 6.239 1.00 0.00 C ATOM 1161 O TRP A 74 -9.029 5.455 7.151 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.080 2.334 6.236 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.719 2.183 7.686 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.380 1.441 8.619 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.582 2.743 8.351 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.726 1.508 9.820 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.620 2.296 9.681 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.538 3.580 7.947 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.652 2.647 10.609 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.573 3.935 8.860 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.633 3.464 10.183 1.00 0.00 C ATOM 0 H TRP A 74 -8.896 2.667 3.959 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.013 3.254 6.489 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.460 1.377 5.877 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.168 2.545 5.677 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.286 0.882 8.438 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.018 1.044 10.680 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.490 3.943 6.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.697 2.292 11.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.762 4.581 8.558 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.860 3.751 10.881 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.558 5.231 5.482 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.897 6.495 5.763 1.00 0.00 C ATOM 1184 C ARG A 75 -7.830 7.668 5.591 1.00 0.00 C ATOM 1185 O ARG A 75 -7.777 8.627 6.362 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.657 6.665 4.921 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.535 5.704 5.274 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.345 5.942 4.393 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.763 5.978 2.992 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.482 6.972 2.135 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.627 7.937 2.474 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.060 7.000 0.947 1.00 0.00 N ATOM 0 H ARG A 75 -7.196 4.736 4.667 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.593 6.470 6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.921 6.530 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.294 7.687 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.253 5.833 6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.879 4.676 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.864 6.882 4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.608 5.153 4.542 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.308 5.190 2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.180 7.924 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.419 8.689 1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.718 6.267 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.848 7.755 0.294 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.710 7.569 4.625 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.682 8.610 4.369 1.00 0.00 C ATOM 1208 C ALA A 76 -10.692 8.724 5.533 1.00 0.00 C ATOM 1209 O ALA A 76 -11.166 9.821 5.861 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.394 8.343 3.045 1.00 0.00 C ATOM 0 H ALA A 76 -8.775 6.769 3.995 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.161 9.564 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.124 9.131 2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.664 8.327 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.903 7.380 3.093 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.973 7.601 6.185 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.947 7.557 7.263 1.00 0.00 C ATOM 1218 C ALA A 77 -11.293 7.968 8.552 1.00 0.00 C ATOM 1219 O ALA A 77 -11.880 8.644 9.397 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.538 6.166 7.389 1.00 0.00 C ATOM 0 H ALA A 77 -10.534 6.703 5.981 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.757 8.251 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.265 6.152 8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.031 5.894 6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.743 5.451 7.601 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.053 7.587 8.666 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.266 7.813 9.844 1.00 0.00 C ATOM 1228 C ASN A 78 -8.626 9.191 9.866 1.00 0.00 C ATOM 1229 O ASN A 78 -7.868 9.514 10.778 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.226 6.703 10.006 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.817 5.407 10.575 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -8.839 5.189 11.794 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.310 4.559 9.721 1.00 0.00 N ATOM 0 H ASN A 78 -9.550 7.099 7.925 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.941 7.784 10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.772 6.494 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.429 7.052 10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.728 3.689 10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.278 4.764 8.722 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.931 9.996 8.855 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.452 11.367 8.802 1.00 0.00 C ATOM 1242 C GLY A 79 -6.955 11.462 8.667 1.00 0.00 C ATOM 1243 O GLY A 79 -6.318 12.301 9.306 1.00 0.00 O ATOM 0 H GLY A 79 -9.509 9.720 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.920 11.877 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.764 11.890 9.706 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.397 10.598 7.865 1.00 0.00 N ATOM 1248 CA LYS A 80 -4.994 10.566 7.612 1.00 0.00 C ATOM 1249 C LYS A 80 -4.773 11.323 6.305 1.00 0.00 C ATOM 1250 O LYS A 80 -5.623 12.121 5.891 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.581 9.111 7.406 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.098 8.118 8.455 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.433 8.224 9.830 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.011 7.644 9.854 1.00 0.00 C ATOM 1255 NZ LYS A 80 -1.976 8.571 9.317 1.00 0.00 N ATOM 0 H LYS A 80 -6.922 9.883 7.361 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.422 11.003 8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.930 8.789 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.492 9.060 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.171 8.265 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.956 7.106 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.398 9.271 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.045 7.702 10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.753 7.381 10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.995 6.721 9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.118 8.509 9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.748 8.307 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.339 9.546 9.337 1.00 0.00 H new ATOM 1269 N SER A 81 -3.672 11.082 5.663 1.00 0.00 N ATOM 1270 CA SER A 81 -3.425 11.653 4.378 1.00 0.00 C ATOM 1271 C SER A 81 -4.126 10.775 3.323 1.00 0.00 C ATOM 1272 O SER A 81 -4.721 9.733 3.659 1.00 0.00 O ATOM 1273 CB SER A 81 -1.908 11.728 4.135 1.00 0.00 C ATOM 1274 OG SER A 81 -1.585 12.357 2.896 1.00 0.00 O ATOM 0 H SER A 81 -2.923 10.486 6.014 1.00 0.00 H new ATOM 0 HA SER A 81 -3.820 12.667 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.439 12.278 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.491 10.721 4.148 1.00 0.00 H new ATOM 0 HG SER A 81 -0.611 12.383 2.786 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.048 11.173 2.084 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.664 10.433 1.023 1.00 0.00 C ATOM 1282 C GLY A 82 -3.668 10.166 -0.066 1.00 0.00 C ATOM 1283 O GLY A 82 -2.494 9.909 0.223 1.00 0.00 O ATOM 0 H GLY A 82 -3.558 12.016 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.056 9.491 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.510 10.992 0.623 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.126 10.144 -1.287 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.282 10.057 -2.430 1.00 0.00 C ATOM 1289 C PHE A 83 -3.471 11.327 -3.234 1.00 0.00 C ATOM 1290 O PHE A 83 -4.243 12.214 -2.833 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.683 8.873 -3.321 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.610 7.522 -2.688 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.419 7.033 -2.208 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.743 6.737 -2.581 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.357 5.788 -1.630 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.688 5.488 -2.005 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.490 5.010 -1.528 1.00 0.00 C ATOM 0 H PHE A 83 -5.120 10.187 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.250 9.922 -2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.703 9.035 -3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.042 8.874 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.524 7.632 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.685 7.109 -2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.415 5.417 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.582 4.886 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.437 4.031 -1.076 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.781 11.425 -4.330 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.000 12.475 -5.276 1.00 0.00 C ATOM 1309 C LYS A 84 -4.180 12.048 -6.124 1.00 0.00 C ATOM 1310 O LYS A 84 -4.401 10.839 -6.296 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.745 12.646 -6.131 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.817 13.727 -7.190 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.462 13.967 -7.837 1.00 0.00 C ATOM 1314 CE LYS A 84 0.066 12.743 -8.569 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.365 13.003 -9.223 1.00 0.00 N ATOM 0 H LYS A 84 -2.044 10.772 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.206 13.430 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.905 12.864 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.528 11.697 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.540 13.441 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.176 14.653 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.541 14.798 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.254 14.264 -7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.174 11.919 -7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.660 12.428 -9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.687 12.142 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.258 13.772 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.066 13.278 -8.506 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.965 12.990 -6.597 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.113 12.648 -7.416 1.00 0.00 C ATOM 1331 C GLN A 85 -5.750 12.009 -8.758 1.00 0.00 C ATOM 1332 O GLN A 85 -5.257 12.644 -9.684 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.210 13.742 -7.496 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.772 15.197 -7.727 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.948 15.437 -8.975 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.493 15.652 -10.062 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -4.645 15.499 -8.820 1.00 0.00 N ATOM 0 H GLN A 85 -4.835 13.988 -6.433 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.603 11.849 -6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.894 13.469 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.780 13.710 -6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.663 15.824 -7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.196 15.527 -6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.231 15.315 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.048 15.731 -9.613 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.929 10.746 -8.783 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.659 9.928 -9.910 1.00 0.00 C ATOM 1348 C GLY A 86 -5.723 8.509 -9.456 1.00 0.00 C ATOM 1349 O GLY A 86 -5.489 8.281 -8.247 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.998 7.610 -10.265 1.00 0.00 O ATOM 0 H GLY A 86 -6.285 10.224 -7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.387 10.111 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.676 10.155 -10.323 1.00 0.00 H new TER 1354 GLY A 86