USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 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 Single : A 2 GLN : amide:sc= -2.49 K(o=-2.5,f=-5.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0585 (180deg=-0.662) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= -0.651 (180deg=-0.671) USER MOD Single : A 11 HIS : no HE2:sc= -0.547 K(o=-0.55,f=-1.7!) USER MOD Single : A 13 THR OG1 : rot 27:sc= 0.381 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.25) USER MOD Single : A 24 MET CE :methyl 143:sc= -0.133 (180deg=-1.09) USER MOD Single : A 26 THR OG1 : rot 150:sc= -0.0483 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.63) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 129:sc= -0.199 (180deg=-1.21!) USER MOD Single : A 55 SER OG : rot 27:sc= 0.839 USER MOD Single : A 60 SER OG : rot 25:sc= 0.0236 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 34:sc= 0.529 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -107:sc= -0.689 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= -0.401 (180deg=-1.76!) USER MOD Single : A 84 SER OG : rot -4:sc= 1.04 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.221 F(o=-1.3,f=-0.22) USER MOD Single : A 89 CYS SG : rot -131:sc= -1.33 USER MOD Single : A 94 HIS : no HD1:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-2) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.426 11.631 1.506 1.00 0.00 N ATOM 21 CA GLN A 2 -5.853 10.201 1.609 1.00 0.00 C ATOM 22 C GLN A 2 -6.953 9.932 0.575 1.00 0.00 C ATOM 23 O GLN A 2 -8.138 10.061 0.859 1.00 0.00 O ATOM 24 CB GLN A 2 -6.370 9.923 3.027 1.00 0.00 C ATOM 25 CG GLN A 2 -7.483 10.920 3.388 1.00 0.00 C ATOM 26 CD GLN A 2 -8.777 10.163 3.714 1.00 0.00 C ATOM 27 OE1 GLN A 2 -9.157 9.257 3.000 1.00 0.00 O ATOM 28 NE2 GLN A 2 -9.473 10.503 4.765 1.00 0.00 N ATOM 0 HA GLN A 2 -5.008 9.542 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.750 8.903 3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.552 10.004 3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.179 11.523 4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.652 11.606 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.153 11.264 5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.337 10.008 4.987 1.00 0.00 H new ATOM 37 N ASP A 3 -6.559 9.572 -0.629 1.00 0.00 N ATOM 38 CA ASP A 3 -7.549 9.298 -1.717 1.00 0.00 C ATOM 39 C ASP A 3 -7.077 8.120 -2.572 1.00 0.00 C ATOM 40 O ASP A 3 -6.040 7.529 -2.319 1.00 0.00 O ATOM 41 CB ASP A 3 -7.682 10.541 -2.599 1.00 0.00 C ATOM 42 CG ASP A 3 -8.609 11.553 -1.923 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.208 12.110 -0.914 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.702 11.754 -2.424 1.00 0.00 O ATOM 0 H ASP A 3 -5.583 9.456 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.513 9.052 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.702 10.987 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.079 10.265 -3.576 1.00 0.00 H new ATOM 49 N TRP A 4 -7.844 7.795 -3.591 1.00 0.00 N ATOM 50 CA TRP A 4 -7.496 6.669 -4.524 1.00 0.00 C ATOM 51 C TRP A 4 -6.071 6.865 -5.071 1.00 0.00 C ATOM 52 O TRP A 4 -5.316 5.915 -5.198 1.00 0.00 O ATOM 53 CB TRP A 4 -8.514 6.671 -5.679 1.00 0.00 C ATOM 54 CG TRP A 4 -8.186 5.609 -6.687 1.00 0.00 C ATOM 55 CD1 TRP A 4 -7.912 5.839 -7.992 1.00 0.00 C ATOM 56 CD2 TRP A 4 -8.100 4.165 -6.502 1.00 0.00 C ATOM 57 NE1 TRP A 4 -7.659 4.634 -8.616 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.762 3.571 -7.741 1.00 0.00 C ATOM 59 CE3 TRP A 4 -8.277 3.324 -5.391 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.609 2.190 -7.874 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -8.123 1.933 -5.521 1.00 0.00 C ATOM 62 CH2 TRP A 4 -7.790 1.368 -6.760 1.00 0.00 C ATOM 0 H TRP A 4 -8.715 8.274 -3.820 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.532 5.715 -3.997 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.517 6.506 -5.285 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.518 7.648 -6.163 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.894 6.808 -8.468 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.424 4.540 -9.604 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.533 3.749 -4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -7.353 1.761 -8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.262 1.295 -4.661 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.674 0.298 -6.853 1.00 0.00 H new ATOM 73 N ALA A 5 -5.714 8.091 -5.390 1.00 0.00 N ATOM 74 CA ALA A 5 -4.349 8.387 -5.935 1.00 0.00 C ATOM 75 C ALA A 5 -3.284 7.956 -4.918 1.00 0.00 C ATOM 76 O ALA A 5 -2.287 7.335 -5.273 1.00 0.00 O ATOM 77 CB ALA A 5 -4.231 9.892 -6.204 1.00 0.00 C ATOM 0 H ALA A 5 -6.319 8.907 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.197 7.838 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.240 10.114 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.988 10.193 -6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.381 10.441 -5.274 1.00 0.00 H new ATOM 83 N THR A 6 -3.498 8.278 -3.659 1.00 0.00 N ATOM 84 CA THR A 6 -2.524 7.901 -2.592 1.00 0.00 C ATOM 85 C THR A 6 -2.468 6.383 -2.502 1.00 0.00 C ATOM 86 O THR A 6 -1.404 5.795 -2.415 1.00 0.00 O ATOM 87 CB THR A 6 -2.990 8.480 -1.255 1.00 0.00 C ATOM 88 OG1 THR A 6 -3.187 9.881 -1.394 1.00 0.00 O ATOM 89 CG2 THR A 6 -1.933 8.214 -0.184 1.00 0.00 C ATOM 0 H THR A 6 -4.315 8.791 -3.328 1.00 0.00 H new ATOM 0 HA THR A 6 -1.535 8.295 -2.827 1.00 0.00 H new ATOM 0 HB THR A 6 -3.927 8.007 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.487 10.255 -0.540 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.267 8.627 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.783 7.139 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.994 8.685 -0.475 1.00 0.00 H new ATOM 97 N PHE A 7 -3.621 5.760 -2.540 1.00 0.00 N ATOM 98 CA PHE A 7 -3.711 4.270 -2.475 1.00 0.00 C ATOM 99 C PHE A 7 -3.001 3.668 -3.696 1.00 0.00 C ATOM 100 O PHE A 7 -2.529 2.544 -3.646 1.00 0.00 O ATOM 101 CB PHE A 7 -5.199 3.887 -2.462 1.00 0.00 C ATOM 102 CG PHE A 7 -5.383 2.387 -2.559 1.00 0.00 C ATOM 103 CD1 PHE A 7 -5.326 1.591 -1.407 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.621 1.797 -3.806 1.00 0.00 C ATOM 105 CE1 PHE A 7 -5.507 0.205 -1.506 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.802 0.413 -3.905 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.744 -0.383 -2.755 1.00 0.00 C ATOM 0 H PHE A 7 -4.521 6.233 -2.615 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.229 3.885 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.663 4.254 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.709 4.372 -3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.143 2.045 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.665 2.411 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.464 -0.410 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.986 -0.041 -4.868 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.882 -1.451 -2.831 1.00 0.00 H new ATOM 117 N LYS A 8 -2.918 4.414 -4.781 1.00 0.00 N ATOM 118 CA LYS A 8 -2.233 3.912 -6.012 1.00 0.00 C ATOM 119 C LYS A 8 -0.742 3.733 -5.711 1.00 0.00 C ATOM 120 O LYS A 8 -0.166 2.697 -5.995 1.00 0.00 O ATOM 121 CB LYS A 8 -2.409 4.928 -7.144 1.00 0.00 C ATOM 122 CG LYS A 8 -1.831 4.367 -8.452 1.00 0.00 C ATOM 123 CD LYS A 8 -2.959 4.105 -9.455 1.00 0.00 C ATOM 124 CE LYS A 8 -2.369 3.551 -10.753 1.00 0.00 C ATOM 125 NZ LYS A 8 -1.449 4.560 -11.350 1.00 0.00 N ATOM 0 H LYS A 8 -3.301 5.356 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.666 2.959 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.466 5.159 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.908 5.861 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.115 5.072 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.289 3.443 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.675 3.397 -9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.504 5.028 -9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.830 2.625 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.168 3.311 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.328 4.362 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.851 5.511 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.525 4.511 -10.875 1.00 0.00 H new ATOM 139 N LYS A 9 -0.124 4.740 -5.132 1.00 0.00 N ATOM 140 CA LYS A 9 1.336 4.651 -4.798 1.00 0.00 C ATOM 141 C LYS A 9 1.541 3.842 -3.510 1.00 0.00 C ATOM 142 O LYS A 9 2.608 3.299 -3.278 1.00 0.00 O ATOM 143 CB LYS A 9 1.896 6.058 -4.579 1.00 0.00 C ATOM 144 CG LYS A 9 1.544 6.953 -5.769 1.00 0.00 C ATOM 145 CD LYS A 9 2.456 8.185 -5.764 1.00 0.00 C ATOM 146 CE LYS A 9 1.647 9.433 -6.132 1.00 0.00 C ATOM 147 NZ LYS A 9 2.453 10.289 -7.047 1.00 0.00 N ATOM 0 H LYS A 9 -0.570 5.621 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 9 1.851 4.160 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.488 6.482 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.978 6.012 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.664 6.401 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.499 7.259 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.907 8.310 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.272 8.047 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.712 9.146 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.385 9.989 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.907 11.138 -7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.333 10.572 -6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.682 9.755 -7.910 1.00 0.00 H new ATOM 161 N LYS A 10 0.535 3.797 -2.662 1.00 0.00 N ATOM 162 CA LYS A 10 0.645 3.073 -1.356 1.00 0.00 C ATOM 163 C LYS A 10 0.392 1.565 -1.485 1.00 0.00 C ATOM 164 O LYS A 10 1.142 0.779 -0.935 1.00 0.00 O ATOM 165 CB LYS A 10 -0.373 3.672 -0.379 1.00 0.00 C ATOM 166 CG LYS A 10 0.317 4.675 0.553 1.00 0.00 C ATOM 167 CD LYS A 10 0.497 4.051 1.939 1.00 0.00 C ATOM 168 CE LYS A 10 0.540 5.156 2.996 1.00 0.00 C ATOM 169 NZ LYS A 10 0.197 4.582 4.329 1.00 0.00 N ATOM 0 H LYS A 10 -0.370 4.239 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 10 1.666 3.196 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.171 4.167 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.836 2.878 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.286 4.960 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.278 5.585 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.323 3.364 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.417 3.468 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.532 5.607 3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.162 5.949 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.023 5.352 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.630 3.958 4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.005 4.035 4.690 1.00 0.00 H new ATOM 183 N HIS A 11 -0.678 1.156 -2.144 1.00 0.00 N ATOM 184 CA HIS A 11 -0.994 -0.313 -2.232 1.00 0.00 C ATOM 185 C HIS A 11 -1.010 -0.832 -3.673 1.00 0.00 C ATOM 186 O HIS A 11 -1.269 -2.008 -3.881 1.00 0.00 O ATOM 187 CB HIS A 11 -2.370 -0.563 -1.613 1.00 0.00 C ATOM 188 CG HIS A 11 -2.259 -0.588 -0.113 1.00 0.00 C ATOM 189 ND1 HIS A 11 -2.238 -1.773 0.606 1.00 0.00 N ATOM 190 CD2 HIS A 11 -2.171 0.417 0.818 1.00 0.00 C ATOM 191 CE1 HIS A 11 -2.141 -1.454 1.910 1.00 0.00 C ATOM 192 NE2 HIS A 11 -2.097 -0.131 2.095 1.00 0.00 N ATOM 0 H HIS A 11 -1.339 1.771 -2.619 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.208 -0.845 -1.696 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -3.065 0.218 -1.922 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.774 -1.510 -1.972 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -2.287 -2.715 0.218 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.161 1.473 0.593 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.103 -2.179 2.710 1.00 0.00 H new ATOM 200 N LEU A 12 -0.757 0.000 -4.664 1.00 0.00 N ATOM 201 CA LEU A 12 -0.788 -0.504 -6.079 1.00 0.00 C ATOM 202 C LEU A 12 0.582 -0.379 -6.742 1.00 0.00 C ATOM 203 O LEU A 12 1.171 0.689 -6.790 1.00 0.00 O ATOM 204 CB LEU A 12 -1.828 0.272 -6.893 1.00 0.00 C ATOM 205 CG LEU A 12 -3.195 0.187 -6.205 1.00 0.00 C ATOM 206 CD1 LEU A 12 -4.226 1.008 -6.996 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.647 -1.278 -6.145 1.00 0.00 C ATOM 0 H LEU A 12 -0.534 0.989 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.061 -1.559 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.524 1.314 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.892 -0.136 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.115 0.586 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.196 0.945 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.907 2.049 -7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.307 0.613 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.619 -1.339 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.724 -1.677 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.919 -1.860 -5.580 1.00 0.00 H new ATOM 219 N THR A 13 1.069 -1.482 -7.268 1.00 0.00 N ATOM 220 CA THR A 13 2.393 -1.500 -7.970 1.00 0.00 C ATOM 221 C THR A 13 2.228 -2.208 -9.319 1.00 0.00 C ATOM 222 O THR A 13 1.281 -2.953 -9.517 1.00 0.00 O ATOM 223 CB THR A 13 3.440 -2.244 -7.129 1.00 0.00 C ATOM 224 OG1 THR A 13 2.811 -3.252 -6.344 1.00 0.00 O ATOM 225 CG2 THR A 13 4.156 -1.250 -6.215 1.00 0.00 C ATOM 0 H THR A 13 0.595 -2.385 -7.239 1.00 0.00 H new ATOM 0 HA THR A 13 2.732 -0.475 -8.119 1.00 0.00 H new ATOM 0 HB THR A 13 4.164 -2.716 -7.793 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.986 -3.544 -6.786 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.900 -1.776 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.649 -0.489 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.430 -0.775 -5.555 1.00 0.00 H new ATOM 233 N ASP A 14 3.137 -1.969 -10.241 1.00 0.00 N ATOM 234 CA ASP A 14 3.052 -2.608 -11.594 1.00 0.00 C ATOM 235 C ASP A 14 4.214 -3.594 -11.792 1.00 0.00 C ATOM 236 O ASP A 14 4.612 -3.876 -12.914 1.00 0.00 O ATOM 237 CB ASP A 14 3.105 -1.514 -12.665 1.00 0.00 C ATOM 238 CG ASP A 14 1.708 -0.922 -12.859 1.00 0.00 C ATOM 239 OD1 ASP A 14 1.129 -0.488 -11.878 1.00 0.00 O ATOM 240 OD2 ASP A 14 1.241 -0.914 -13.986 1.00 0.00 O ATOM 0 H ASP A 14 3.940 -1.353 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 14 2.115 -3.159 -11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.805 -0.733 -12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.470 -1.928 -13.605 1.00 0.00 H new ATOM 245 N THR A 15 4.747 -4.121 -10.710 1.00 0.00 N ATOM 246 CA THR A 15 5.879 -5.100 -10.803 1.00 0.00 C ATOM 247 C THR A 15 6.244 -5.585 -9.396 1.00 0.00 C ATOM 248 O THR A 15 6.175 -4.829 -8.441 1.00 0.00 O ATOM 249 CB THR A 15 7.090 -4.419 -11.451 1.00 0.00 C ATOM 250 OG1 THR A 15 8.208 -5.297 -11.414 1.00 0.00 O ATOM 251 CG2 THR A 15 7.420 -3.131 -10.696 1.00 0.00 C ATOM 0 H THR A 15 4.442 -3.912 -9.759 1.00 0.00 H new ATOM 0 HA THR A 15 5.580 -5.953 -11.412 1.00 0.00 H new ATOM 0 HB THR A 15 6.857 -4.178 -12.488 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.981 -4.861 -11.830 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.281 -2.649 -11.158 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.564 -2.458 -10.733 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.651 -3.367 -9.657 1.00 0.00 H new ATOM 259 N TRP A 16 6.629 -6.840 -9.273 1.00 0.00 N ATOM 260 CA TRP A 16 7.006 -7.403 -7.938 1.00 0.00 C ATOM 261 C TRP A 16 8.321 -6.776 -7.480 1.00 0.00 C ATOM 262 O TRP A 16 8.536 -6.564 -6.298 1.00 0.00 O ATOM 263 CB TRP A 16 7.185 -8.926 -8.050 1.00 0.00 C ATOM 264 CG TRP A 16 7.172 -9.583 -6.690 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.079 -8.949 -5.490 1.00 0.00 C ATOM 266 CD2 TRP A 16 7.257 -11.008 -6.382 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.100 -9.891 -4.479 1.00 0.00 N ATOM 268 CE2 TRP A 16 7.208 -11.173 -4.977 1.00 0.00 C ATOM 269 CE3 TRP A 16 7.371 -12.161 -7.179 1.00 0.00 C ATOM 270 CZ2 TRP A 16 7.269 -12.437 -4.386 1.00 0.00 C ATOM 271 CZ3 TRP A 16 7.432 -13.433 -6.589 1.00 0.00 C ATOM 272 CH2 TRP A 16 7.381 -13.571 -5.195 1.00 0.00 C ATOM 0 H TRP A 16 6.697 -7.499 -10.049 1.00 0.00 H new ATOM 0 HA TRP A 16 6.219 -7.182 -7.217 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.388 -9.343 -8.665 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.126 -9.147 -8.554 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.001 -7.881 -5.350 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.043 -9.666 -3.486 1.00 0.00 H new ATOM 0 HE3 TRP A 16 7.412 -12.067 -8.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 7.230 -12.537 -3.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.519 -14.311 -7.213 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.428 -14.552 -4.747 1.00 0.00 H new ATOM 283 N ASP A 17 9.198 -6.481 -8.417 1.00 0.00 N ATOM 284 CA ASP A 17 10.518 -5.865 -8.072 1.00 0.00 C ATOM 285 C ASP A 17 10.395 -4.342 -8.127 1.00 0.00 C ATOM 286 O ASP A 17 10.214 -3.767 -9.189 1.00 0.00 O ATOM 287 CB ASP A 17 11.579 -6.330 -9.073 1.00 0.00 C ATOM 288 CG ASP A 17 12.310 -7.550 -8.512 1.00 0.00 C ATOM 289 OD1 ASP A 17 12.810 -7.458 -7.403 1.00 0.00 O ATOM 290 OD2 ASP A 17 12.357 -8.556 -9.199 1.00 0.00 O ATOM 0 H ASP A 17 9.051 -6.644 -9.413 1.00 0.00 H new ATOM 0 HA ASP A 17 10.812 -6.171 -7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.111 -6.579 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.288 -5.525 -9.267 1.00 0.00 H new ATOM 295 N VAL A 18 10.488 -3.694 -6.984 1.00 0.00 N ATOM 296 CA VAL A 18 10.377 -2.205 -6.927 1.00 0.00 C ATOM 297 C VAL A 18 11.706 -1.616 -6.449 1.00 0.00 C ATOM 298 O VAL A 18 12.526 -2.310 -5.871 1.00 0.00 O ATOM 299 CB VAL A 18 9.259 -1.826 -5.949 1.00 0.00 C ATOM 300 CG1 VAL A 18 9.124 -0.300 -5.870 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.939 -2.422 -6.436 1.00 0.00 C ATOM 0 H VAL A 18 10.638 -4.144 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 18 10.146 -1.810 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 18 9.502 -2.216 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.327 -0.041 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.063 0.131 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.885 0.096 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.141 -2.155 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.706 -2.030 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.027 -3.507 -6.487 1.00 0.00 H new ATOM 311 N ASP A 19 11.906 -0.337 -6.686 1.00 0.00 N ATOM 312 CA ASP A 19 13.168 0.339 -6.255 1.00 0.00 C ATOM 313 C ASP A 19 12.842 1.393 -5.193 1.00 0.00 C ATOM 314 O ASP A 19 12.327 2.455 -5.501 1.00 0.00 O ATOM 315 CB ASP A 19 13.834 1.011 -7.458 1.00 0.00 C ATOM 316 CG ASP A 19 14.193 -0.049 -8.502 1.00 0.00 C ATOM 317 OD1 ASP A 19 13.298 -0.761 -8.928 1.00 0.00 O ATOM 318 OD2 ASP A 19 15.357 -0.128 -8.859 1.00 0.00 O ATOM 0 H ASP A 19 11.240 0.269 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 19 13.850 -0.402 -5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.162 1.751 -7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.731 1.542 -7.140 1.00 0.00 H new ATOM 323 N CYS A 20 13.141 1.090 -3.949 1.00 0.00 N ATOM 324 CA CYS A 20 12.867 2.042 -2.827 1.00 0.00 C ATOM 325 C CYS A 20 13.727 3.301 -2.988 1.00 0.00 C ATOM 326 O CYS A 20 13.227 4.412 -2.926 1.00 0.00 O ATOM 327 CB CYS A 20 13.212 1.364 -1.503 1.00 0.00 C ATOM 328 SG CYS A 20 12.334 -0.213 -1.363 1.00 0.00 S ATOM 0 H CYS A 20 13.569 0.210 -3.662 1.00 0.00 H new ATOM 0 HA CYS A 20 11.814 2.323 -2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.287 1.197 -1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.942 2.015 -0.671 1.00 0.00 H new ATOM 333 N ASP A 21 15.018 3.123 -3.183 1.00 0.00 N ATOM 334 CA ASP A 21 15.958 4.286 -3.341 1.00 0.00 C ATOM 335 C ASP A 21 15.436 5.262 -4.404 1.00 0.00 C ATOM 336 O ASP A 21 15.737 6.445 -4.362 1.00 0.00 O ATOM 337 CB ASP A 21 17.340 3.767 -3.757 1.00 0.00 C ATOM 338 CG ASP A 21 17.220 2.937 -5.037 1.00 0.00 C ATOM 339 OD1 ASP A 21 16.515 1.940 -5.011 1.00 0.00 O ATOM 340 OD2 ASP A 21 17.835 3.310 -6.022 1.00 0.00 O ATOM 0 H ASP A 21 15.465 2.208 -3.240 1.00 0.00 H new ATOM 0 HA ASP A 21 16.029 4.813 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.019 4.604 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.766 3.160 -2.958 1.00 0.00 H new ATOM 345 N ASN A 22 14.658 4.771 -5.348 1.00 0.00 N ATOM 346 CA ASN A 22 14.103 5.651 -6.426 1.00 0.00 C ATOM 347 C ASN A 22 12.952 6.486 -5.860 1.00 0.00 C ATOM 348 O ASN A 22 12.855 7.675 -6.112 1.00 0.00 O ATOM 349 CB ASN A 22 13.586 4.786 -7.578 1.00 0.00 C ATOM 350 CG ASN A 22 13.515 5.627 -8.853 1.00 0.00 C ATOM 351 OD1 ASN A 22 14.498 6.207 -9.269 1.00 0.00 O ATOM 352 ND2 ASN A 22 12.383 5.719 -9.495 1.00 0.00 N ATOM 0 H ASN A 22 14.384 3.791 -5.415 1.00 0.00 H new ATOM 0 HA ASN A 22 14.887 6.313 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.245 3.931 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.600 4.389 -7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.323 6.278 -10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.558 5.232 -9.146 1.00 0.00 H new ATOM 359 N LEU A 23 12.081 5.854 -5.104 1.00 0.00 N ATOM 360 CA LEU A 23 10.910 6.566 -4.501 1.00 0.00 C ATOM 361 C LEU A 23 11.212 6.954 -3.044 1.00 0.00 C ATOM 362 O LEU A 23 10.301 7.195 -2.266 1.00 0.00 O ATOM 363 CB LEU A 23 9.700 5.623 -4.534 1.00 0.00 C ATOM 364 CG LEU A 23 9.022 5.665 -5.909 1.00 0.00 C ATOM 365 CD1 LEU A 23 8.492 7.074 -6.178 1.00 0.00 C ATOM 366 CD2 LEU A 23 10.022 5.271 -7.004 1.00 0.00 C ATOM 0 H LEU A 23 12.135 4.861 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 23 10.704 7.474 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.019 4.605 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.987 5.910 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 23 8.193 4.958 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.011 7.101 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.768 7.343 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.319 7.783 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.529 5.304 -7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.861 5.967 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.387 4.261 -6.817 1.00 0.00 H new ATOM 378 N MET A 24 12.476 6.998 -2.666 1.00 0.00 N ATOM 379 CA MET A 24 12.844 7.344 -1.256 1.00 0.00 C ATOM 380 C MET A 24 12.786 8.881 -1.028 1.00 0.00 C ATOM 381 O MET A 24 12.170 9.308 -0.067 1.00 0.00 O ATOM 382 CB MET A 24 14.247 6.756 -0.945 1.00 0.00 C ATOM 383 CG MET A 24 14.900 7.438 0.270 1.00 0.00 C ATOM 384 SD MET A 24 15.862 8.873 -0.278 1.00 0.00 S ATOM 385 CE MET A 24 17.496 8.129 -0.085 1.00 0.00 C ATOM 0 H MET A 24 13.268 6.807 -3.280 1.00 0.00 H new ATOM 0 HA MET A 24 12.124 6.904 -0.566 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.158 5.686 -0.756 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.891 6.874 -1.817 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.133 7.751 0.979 1.00 0.00 H new ATOM 0 HG3 MET A 24 15.547 6.732 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 24 18.148 8.469 -0.889 1.00 0.00 H new ATOM 0 HE2 MET A 24 17.919 8.425 0.875 1.00 0.00 H new ATOM 0 HE3 MET A 24 17.408 7.043 -0.124 1.00 0.00 H new ATOM 395 N PRO A 25 13.443 9.673 -1.876 1.00 0.00 N ATOM 396 CA PRO A 25 13.472 11.147 -1.711 1.00 0.00 C ATOM 397 C PRO A 25 12.237 11.842 -2.310 1.00 0.00 C ATOM 398 O PRO A 25 12.285 13.031 -2.584 1.00 0.00 O ATOM 399 CB PRO A 25 14.721 11.566 -2.494 1.00 0.00 C ATOM 400 CG PRO A 25 14.986 10.446 -3.530 1.00 0.00 C ATOM 401 CD PRO A 25 14.221 9.198 -3.048 1.00 0.00 C ATOM 0 HA PRO A 25 13.480 11.427 -0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.565 12.524 -2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.575 11.688 -1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.646 10.748 -4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 25 16.053 10.238 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.567 8.807 -3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.904 8.395 -2.773 1.00 0.00 H new ATOM 409 N THR A 26 11.145 11.132 -2.518 1.00 0.00 N ATOM 410 CA THR A 26 9.923 11.777 -3.104 1.00 0.00 C ATOM 411 C THR A 26 9.150 12.506 -2.003 1.00 0.00 C ATOM 412 O THR A 26 9.553 12.518 -0.851 1.00 0.00 O ATOM 413 CB THR A 26 9.004 10.730 -3.757 1.00 0.00 C ATOM 414 OG1 THR A 26 9.754 9.578 -4.124 1.00 0.00 O ATOM 415 CG2 THR A 26 8.344 11.323 -5.008 1.00 0.00 C ATOM 0 H THR A 26 11.050 10.138 -2.307 1.00 0.00 H new ATOM 0 HA THR A 26 10.245 12.484 -3.869 1.00 0.00 H new ATOM 0 HB THR A 26 8.236 10.445 -3.038 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.180 8.785 -4.078 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.695 10.576 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.753 12.196 -4.729 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.114 11.619 -5.720 1.00 0.00 H new ATOM 423 N SER A 27 8.044 13.108 -2.370 1.00 0.00 N ATOM 424 CA SER A 27 7.195 13.856 -1.387 1.00 0.00 C ATOM 425 C SER A 27 6.251 12.886 -0.672 1.00 0.00 C ATOM 426 O SER A 27 5.879 13.105 0.470 1.00 0.00 O ATOM 427 CB SER A 27 6.370 14.912 -2.123 1.00 0.00 C ATOM 428 OG SER A 27 5.821 15.821 -1.178 1.00 0.00 O ATOM 0 H SER A 27 7.687 13.113 -3.326 1.00 0.00 H new ATOM 0 HA SER A 27 7.840 14.340 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.996 15.446 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.572 14.435 -2.692 1.00 0.00 H new ATOM 0 HG SER A 27 5.293 16.500 -1.646 1.00 0.00 H new ATOM 434 N LEU A 28 5.874 11.818 -1.342 1.00 0.00 N ATOM 435 CA LEU A 28 4.957 10.808 -0.730 1.00 0.00 C ATOM 436 C LEU A 28 5.765 9.989 0.261 1.00 0.00 C ATOM 437 O LEU A 28 5.322 9.719 1.367 1.00 0.00 O ATOM 438 CB LEU A 28 4.395 9.894 -1.822 1.00 0.00 C ATOM 439 CG LEU A 28 3.378 8.929 -1.210 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.974 9.525 -1.328 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.427 7.595 -1.960 1.00 0.00 C ATOM 0 H LEU A 28 6.168 11.605 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 28 4.125 11.301 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.922 10.491 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.203 9.335 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 28 3.618 8.767 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.249 8.838 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.937 10.476 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.734 9.686 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.703 6.906 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.186 7.759 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.427 7.169 -1.879 1.00 0.00 H new ATOM 453 N PHE A 29 6.959 9.620 -0.134 1.00 0.00 N ATOM 454 CA PHE A 29 7.858 8.838 0.755 1.00 0.00 C ATOM 455 C PHE A 29 8.552 9.817 1.699 1.00 0.00 C ATOM 456 O PHE A 29 8.619 9.589 2.891 1.00 0.00 O ATOM 457 CB PHE A 29 8.907 8.104 -0.092 1.00 0.00 C ATOM 458 CG PHE A 29 8.540 6.641 -0.220 1.00 0.00 C ATOM 459 CD1 PHE A 29 7.244 6.267 -0.605 1.00 0.00 C ATOM 460 CD2 PHE A 29 9.499 5.655 0.047 1.00 0.00 C ATOM 461 CE1 PHE A 29 6.912 4.913 -0.721 1.00 0.00 C ATOM 462 CE2 PHE A 29 9.165 4.301 -0.070 1.00 0.00 C ATOM 463 CZ PHE A 29 7.872 3.931 -0.455 1.00 0.00 C ATOM 0 H PHE A 29 7.350 9.834 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 29 7.289 8.102 1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.971 8.559 -1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.890 8.202 0.368 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.502 7.024 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.498 5.940 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.914 4.626 -1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.905 3.542 0.137 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.615 2.886 -0.547 1.00 0.00 H new ATOM 473 N ASP A 30 9.056 10.915 1.159 1.00 0.00 N ATOM 474 CA ASP A 30 9.758 11.955 1.995 1.00 0.00 C ATOM 475 C ASP A 30 10.754 11.272 2.957 1.00 0.00 C ATOM 476 O ASP A 30 10.917 11.678 4.101 1.00 0.00 O ATOM 477 CB ASP A 30 8.705 12.746 2.791 1.00 0.00 C ATOM 478 CG ASP A 30 9.002 14.245 2.697 1.00 0.00 C ATOM 479 OD1 ASP A 30 10.133 14.623 2.958 1.00 0.00 O ATOM 480 OD2 ASP A 30 8.094 14.989 2.366 1.00 0.00 O ATOM 0 H ASP A 30 9.009 11.135 0.164 1.00 0.00 H new ATOM 0 HA ASP A 30 10.314 12.636 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.709 12.538 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.711 12.429 3.834 1.00 0.00 H new ATOM 485 N CYS A 31 11.405 10.223 2.491 1.00 0.00 N ATOM 486 CA CYS A 31 12.379 9.471 3.348 1.00 0.00 C ATOM 487 C CYS A 31 11.626 8.909 4.567 1.00 0.00 C ATOM 488 O CYS A 31 12.125 8.900 5.684 1.00 0.00 O ATOM 489 CB CYS A 31 13.505 10.416 3.789 1.00 0.00 C ATOM 490 SG CYS A 31 15.067 9.868 3.055 1.00 0.00 S ATOM 0 H CYS A 31 11.299 9.856 1.545 1.00 0.00 H new ATOM 0 HA CYS A 31 12.823 8.646 2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.282 11.437 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.584 10.424 4.876 1.00 0.00 H new ATOM 495 N LYS A 32 10.413 8.452 4.339 1.00 0.00 N ATOM 496 CA LYS A 32 9.563 7.892 5.440 1.00 0.00 C ATOM 497 C LYS A 32 10.165 6.585 5.967 1.00 0.00 C ATOM 498 O LYS A 32 11.264 6.205 5.598 1.00 0.00 O ATOM 499 CB LYS A 32 8.152 7.629 4.906 1.00 0.00 C ATOM 500 CG LYS A 32 7.275 8.858 5.159 1.00 0.00 C ATOM 501 CD LYS A 32 6.560 8.712 6.504 1.00 0.00 C ATOM 502 CE LYS A 32 6.305 10.098 7.109 1.00 0.00 C ATOM 503 NZ LYS A 32 7.189 10.295 8.293 1.00 0.00 N ATOM 0 H LYS A 32 9.971 8.444 3.420 1.00 0.00 H new ATOM 0 HA LYS A 32 9.521 8.612 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.190 7.409 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.723 6.755 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.887 9.760 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.544 8.967 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.616 8.185 6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.165 8.113 7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.497 10.872 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.260 10.191 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.016 11.235 8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.985 9.564 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.184 10.224 7.999 1.00 0.00 H new ATOM 517 N ASP A 33 9.447 5.918 6.848 1.00 0.00 N ATOM 518 CA ASP A 33 9.941 4.639 7.455 1.00 0.00 C ATOM 519 C ASP A 33 9.685 3.449 6.518 1.00 0.00 C ATOM 520 O ASP A 33 10.616 2.900 5.949 1.00 0.00 O ATOM 521 CB ASP A 33 9.218 4.402 8.788 1.00 0.00 C ATOM 522 CG ASP A 33 10.127 4.808 9.950 1.00 0.00 C ATOM 523 OD1 ASP A 33 10.092 5.968 10.326 1.00 0.00 O ATOM 524 OD2 ASP A 33 10.841 3.952 10.444 1.00 0.00 O ATOM 0 H ASP A 33 8.527 6.213 7.175 1.00 0.00 H new ATOM 0 HA ASP A 33 11.015 4.724 7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.294 4.979 8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.941 3.352 8.880 1.00 0.00 H new ATOM 529 N LYS A 34 8.440 3.026 6.385 1.00 0.00 N ATOM 530 CA LYS A 34 8.124 1.843 5.513 1.00 0.00 C ATOM 531 C LYS A 34 6.886 2.104 4.645 1.00 0.00 C ATOM 532 O LYS A 34 6.038 2.913 4.976 1.00 0.00 O ATOM 533 CB LYS A 34 7.848 0.613 6.391 1.00 0.00 C ATOM 534 CG LYS A 34 8.955 0.436 7.436 1.00 0.00 C ATOM 535 CD LYS A 34 8.449 -0.466 8.568 1.00 0.00 C ATOM 536 CE LYS A 34 9.011 0.024 9.903 1.00 0.00 C ATOM 537 NZ LYS A 34 8.517 -0.852 11.002 1.00 0.00 N ATOM 0 H LYS A 34 7.633 3.450 6.843 1.00 0.00 H new ATOM 0 HA LYS A 34 8.983 1.670 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.885 0.724 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.784 -0.279 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.839 -0.003 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.252 1.406 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.359 -0.457 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.754 -1.497 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.101 0.013 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.707 1.055 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.899 -0.519 11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.478 -0.820 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.829 -1.830 10.833 1.00 0.00 H new ATOM 551 N ASN A 35 6.784 1.382 3.545 1.00 0.00 N ATOM 552 CA ASN A 35 5.609 1.510 2.621 1.00 0.00 C ATOM 553 C ASN A 35 5.393 0.156 1.930 1.00 0.00 C ATOM 554 O ASN A 35 6.256 -0.317 1.207 1.00 0.00 O ATOM 555 CB ASN A 35 5.882 2.592 1.573 1.00 0.00 C ATOM 556 CG ASN A 35 5.179 3.893 1.981 1.00 0.00 C ATOM 557 OD1 ASN A 35 5.628 4.580 2.877 1.00 0.00 O ATOM 558 ND2 ASN A 35 4.091 4.266 1.359 1.00 0.00 N ATOM 0 H ASN A 35 7.480 0.699 3.247 1.00 0.00 H new ATOM 0 HA ASN A 35 4.719 1.792 3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.955 2.760 1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.525 2.265 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.622 5.131 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.711 3.692 0.606 1.00 0.00 H new ATOM 565 N THR A 36 4.261 -0.477 2.174 1.00 0.00 N ATOM 566 CA THR A 36 3.979 -1.822 1.569 1.00 0.00 C ATOM 567 C THR A 36 3.079 -1.691 0.338 1.00 0.00 C ATOM 568 O THR A 36 2.020 -1.092 0.398 1.00 0.00 O ATOM 569 CB THR A 36 3.283 -2.706 2.608 1.00 0.00 C ATOM 570 OG1 THR A 36 3.921 -2.543 3.867 1.00 0.00 O ATOM 571 CG2 THR A 36 3.367 -4.175 2.179 1.00 0.00 C ATOM 0 H THR A 36 3.518 -0.114 2.771 1.00 0.00 H new ATOM 0 HA THR A 36 4.925 -2.269 1.262 1.00 0.00 H new ATOM 0 HB THR A 36 2.236 -2.415 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.476 -3.106 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.870 -4.800 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.878 -4.301 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.413 -4.471 2.097 1.00 0.00 H new ATOM 579 N PHE A 37 3.499 -2.274 -0.770 1.00 0.00 N ATOM 580 CA PHE A 37 2.689 -2.228 -2.032 1.00 0.00 C ATOM 581 C PHE A 37 2.016 -3.588 -2.256 1.00 0.00 C ATOM 582 O PHE A 37 2.325 -4.558 -1.582 1.00 0.00 O ATOM 583 CB PHE A 37 3.594 -1.930 -3.234 1.00 0.00 C ATOM 584 CG PHE A 37 4.493 -0.744 -2.949 1.00 0.00 C ATOM 585 CD1 PHE A 37 3.954 0.447 -2.448 1.00 0.00 C ATOM 586 CD2 PHE A 37 5.868 -0.839 -3.198 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.789 1.541 -2.195 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.702 0.257 -2.946 1.00 0.00 C ATOM 589 CZ PHE A 37 6.162 1.447 -2.444 1.00 0.00 C ATOM 0 H PHE A 37 4.379 -2.784 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 37 1.939 -1.443 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.201 -2.806 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.983 -1.726 -4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.894 0.521 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.285 -1.757 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.373 2.459 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.762 0.184 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.805 2.292 -2.249 1.00 0.00 H new ATOM 599 N ILE A 38 1.111 -3.657 -3.212 1.00 0.00 N ATOM 600 CA ILE A 38 0.399 -4.941 -3.524 1.00 0.00 C ATOM 601 C ILE A 38 0.563 -5.241 -5.014 1.00 0.00 C ATOM 602 O ILE A 38 0.540 -4.335 -5.839 1.00 0.00 O ATOM 603 CB ILE A 38 -1.094 -4.807 -3.195 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.280 -4.135 -1.822 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.744 -6.195 -3.184 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.634 -4.980 -0.716 1.00 0.00 C ATOM 0 H ILE A 38 0.834 -2.867 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 38 0.822 -5.748 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.570 -4.188 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.834 -3.140 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.342 -4.006 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.804 -6.098 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.629 -6.658 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.261 -6.817 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.776 -4.489 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.099 -5.966 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.432 -5.087 -0.915 1.00 0.00 H new ATOM 618 N TYR A 39 0.729 -6.500 -5.359 1.00 0.00 N ATOM 619 CA TYR A 39 0.899 -6.885 -6.793 1.00 0.00 C ATOM 620 C TYR A 39 -0.458 -7.316 -7.362 1.00 0.00 C ATOM 621 O TYR A 39 -0.857 -8.466 -7.249 1.00 0.00 O ATOM 622 CB TYR A 39 1.900 -8.037 -6.900 1.00 0.00 C ATOM 623 CG TYR A 39 2.307 -8.212 -8.343 1.00 0.00 C ATOM 624 CD1 TYR A 39 2.864 -7.138 -9.046 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.124 -9.446 -8.976 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.239 -7.299 -10.384 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.499 -9.607 -10.314 1.00 0.00 C ATOM 628 CZ TYR A 39 3.057 -8.534 -11.019 1.00 0.00 C ATOM 629 OH TYR A 39 3.426 -8.692 -12.338 1.00 0.00 O ATOM 0 H TYR A 39 0.753 -7.279 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 39 1.276 -6.035 -7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.776 -7.831 -6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.455 -8.957 -6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.004 -6.186 -8.556 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.694 -10.274 -8.432 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.669 -6.471 -10.928 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.358 -10.559 -10.803 1.00 0.00 H new ATOM 0 HH TYR A 39 3.233 -9.609 -12.624 1.00 0.00 H new ATOM 639 N SER A 40 -1.166 -6.386 -7.967 1.00 0.00 N ATOM 640 CA SER A 40 -2.508 -6.691 -8.555 1.00 0.00 C ATOM 641 C SER A 40 -3.006 -5.483 -9.353 1.00 0.00 C ATOM 642 O SER A 40 -2.390 -4.429 -9.343 1.00 0.00 O ATOM 643 CB SER A 40 -3.496 -7.005 -7.429 1.00 0.00 C ATOM 644 OG SER A 40 -4.625 -7.679 -7.970 1.00 0.00 O ATOM 0 H SER A 40 -0.864 -5.418 -8.078 1.00 0.00 H new ATOM 0 HA SER A 40 -2.427 -7.552 -9.219 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.017 -7.625 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.809 -6.084 -6.937 1.00 0.00 H new ATOM 0 HG SER A 40 -5.259 -7.883 -7.251 1.00 0.00 H new ATOM 650 N LEU A 41 -4.113 -5.642 -10.044 1.00 0.00 N ATOM 651 CA LEU A 41 -4.682 -4.525 -10.864 1.00 0.00 C ATOM 652 C LEU A 41 -5.749 -3.772 -10.052 1.00 0.00 C ATOM 653 O LEU A 41 -6.224 -4.288 -9.057 1.00 0.00 O ATOM 654 CB LEU A 41 -5.323 -5.103 -12.125 1.00 0.00 C ATOM 655 CG LEU A 41 -4.275 -5.177 -13.233 1.00 0.00 C ATOM 656 CD1 LEU A 41 -3.521 -6.503 -13.130 1.00 0.00 C ATOM 657 CD2 LEU A 41 -4.966 -5.084 -14.594 1.00 0.00 C ATOM 0 H LEU A 41 -4.651 -6.508 -10.074 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.884 -3.835 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.724 -6.096 -11.921 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.160 -4.480 -12.441 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.572 -4.351 -13.127 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.772 -6.558 -13.920 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.030 -6.568 -12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.223 -7.330 -13.237 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.219 -5.137 -15.386 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.669 -5.910 -14.703 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.504 -4.139 -14.665 1.00 0.00 H new ATOM 669 N PRO A 42 -6.111 -2.575 -10.501 1.00 0.00 N ATOM 670 CA PRO A 42 -7.133 -1.755 -9.816 1.00 0.00 C ATOM 671 C PRO A 42 -8.544 -2.303 -10.075 1.00 0.00 C ATOM 672 O PRO A 42 -9.480 -1.952 -9.375 1.00 0.00 O ATOM 673 CB PRO A 42 -6.959 -0.364 -10.432 1.00 0.00 C ATOM 674 CG PRO A 42 -6.264 -0.572 -11.797 1.00 0.00 C ATOM 675 CD PRO A 42 -5.554 -1.934 -11.723 1.00 0.00 C ATOM 0 HA PRO A 42 -7.014 -1.752 -8.733 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.924 0.127 -10.559 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.358 0.275 -9.784 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.991 -0.557 -12.609 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.550 0.227 -11.994 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.751 -2.534 -12.612 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.473 -1.815 -11.652 1.00 0.00 H new ATOM 683 N GLY A 43 -8.698 -3.157 -11.071 1.00 0.00 N ATOM 684 CA GLY A 43 -10.039 -3.739 -11.389 1.00 0.00 C ATOM 685 C GLY A 43 -10.494 -4.676 -10.253 1.00 0.00 C ATOM 686 O GLY A 43 -11.547 -4.455 -9.682 1.00 0.00 O ATOM 0 H GLY A 43 -7.942 -3.474 -11.678 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.768 -2.940 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.991 -4.290 -12.328 1.00 0.00 H new ATOM 690 N PRO A 44 -9.698 -5.700 -9.953 1.00 0.00 N ATOM 691 CA PRO A 44 -10.032 -6.671 -8.887 1.00 0.00 C ATOM 692 C PRO A 44 -9.811 -6.066 -7.496 1.00 0.00 C ATOM 693 O PRO A 44 -10.481 -6.446 -6.548 1.00 0.00 O ATOM 694 CB PRO A 44 -9.075 -7.841 -9.140 1.00 0.00 C ATOM 695 CG PRO A 44 -7.894 -7.273 -9.956 1.00 0.00 C ATOM 696 CD PRO A 44 -8.408 -5.988 -10.634 1.00 0.00 C ATOM 0 HA PRO A 44 -11.079 -6.973 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.727 -8.268 -8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.575 -8.640 -9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.044 -7.057 -9.309 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.554 -7.994 -10.699 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.703 -5.166 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.548 -6.133 -11.705 1.00 0.00 H new ATOM 704 N VAL A 45 -8.892 -5.127 -7.370 1.00 0.00 N ATOM 705 CA VAL A 45 -8.635 -4.485 -6.040 1.00 0.00 C ATOM 706 C VAL A 45 -9.817 -3.576 -5.706 1.00 0.00 C ATOM 707 O VAL A 45 -10.484 -3.761 -4.700 1.00 0.00 O ATOM 708 CB VAL A 45 -7.330 -3.677 -6.095 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.095 -2.953 -4.758 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.166 -4.634 -6.362 1.00 0.00 C ATOM 0 H VAL A 45 -8.311 -4.781 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.530 -5.246 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.399 -2.935 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.167 -2.384 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.925 -2.275 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.026 -3.686 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.234 -4.071 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.110 -5.371 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.324 -5.143 -7.313 1.00 0.00 H new ATOM 720 N LYS A 46 -10.081 -2.612 -6.558 1.00 0.00 N ATOM 721 CA LYS A 46 -11.228 -1.679 -6.333 1.00 0.00 C ATOM 722 C LYS A 46 -12.539 -2.476 -6.352 1.00 0.00 C ATOM 723 O LYS A 46 -13.530 -2.053 -5.779 1.00 0.00 O ATOM 724 CB LYS A 46 -11.252 -0.622 -7.439 1.00 0.00 C ATOM 725 CG LYS A 46 -12.001 0.619 -6.946 1.00 0.00 C ATOM 726 CD LYS A 46 -12.336 1.522 -8.136 1.00 0.00 C ATOM 727 CE LYS A 46 -13.665 1.084 -8.754 1.00 0.00 C ATOM 728 NZ LYS A 46 -14.758 1.262 -7.757 1.00 0.00 N ATOM 0 H LYS A 46 -9.545 -2.432 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.116 -1.186 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.234 -0.356 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.738 -1.023 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.915 0.324 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.390 1.162 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.399 2.561 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.542 1.469 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.874 1.672 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.608 0.041 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.537 1.799 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.106 0.330 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.395 1.781 -6.932 1.00 0.00 H new ATOM 742 N ALA A 47 -12.543 -3.630 -7.001 1.00 0.00 N ATOM 743 CA ALA A 47 -13.778 -4.480 -7.064 1.00 0.00 C ATOM 744 C ALA A 47 -14.233 -4.823 -5.644 1.00 0.00 C ATOM 745 O ALA A 47 -15.418 -4.822 -5.351 1.00 0.00 O ATOM 746 CB ALA A 47 -13.467 -5.771 -7.825 1.00 0.00 C ATOM 0 H ALA A 47 -11.735 -4.016 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.570 -3.935 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.363 -6.390 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.140 -5.528 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.676 -6.316 -7.309 1.00 0.00 H new ATOM 752 N LEU A 48 -13.292 -5.105 -4.763 1.00 0.00 N ATOM 753 CA LEU A 48 -13.637 -5.441 -3.344 1.00 0.00 C ATOM 754 C LEU A 48 -14.365 -4.251 -2.713 1.00 0.00 C ATOM 755 O LEU A 48 -15.237 -4.418 -1.877 1.00 0.00 O ATOM 756 CB LEU A 48 -12.356 -5.721 -2.557 1.00 0.00 C ATOM 757 CG LEU A 48 -11.694 -6.999 -3.078 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.223 -7.019 -2.653 1.00 0.00 C ATOM 759 CD2 LEU A 48 -12.413 -8.225 -2.496 1.00 0.00 C ATOM 0 H LEU A 48 -12.294 -5.116 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.276 -6.324 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.669 -4.880 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.586 -5.826 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.759 -7.025 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.750 -7.928 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.713 -6.150 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.158 -6.993 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.941 -9.134 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.349 -8.202 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.460 -8.210 -2.799 1.00 0.00 H new ATOM 771 N CYS A 49 -14.001 -3.056 -3.122 1.00 0.00 N ATOM 772 CA CYS A 49 -14.640 -1.817 -2.579 1.00 0.00 C ATOM 773 C CYS A 49 -16.034 -1.624 -3.190 1.00 0.00 C ATOM 774 O CYS A 49 -16.823 -0.842 -2.686 1.00 0.00 O ATOM 775 CB CYS A 49 -13.764 -0.615 -2.928 1.00 0.00 C ATOM 776 SG CYS A 49 -12.592 -0.312 -1.584 1.00 0.00 S ATOM 0 H CYS A 49 -13.277 -2.887 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 49 -14.740 -1.909 -1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.227 -0.801 -3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.385 0.266 -3.089 1.00 0.00 H new ATOM 781 N ARG A 50 -16.338 -2.326 -4.267 1.00 0.00 N ATOM 782 CA ARG A 50 -17.678 -2.191 -4.923 1.00 0.00 C ATOM 783 C ARG A 50 -18.790 -2.469 -3.903 1.00 0.00 C ATOM 784 O ARG A 50 -19.154 -3.611 -3.662 1.00 0.00 O ATOM 785 CB ARG A 50 -17.774 -3.184 -6.087 1.00 0.00 C ATOM 786 CG ARG A 50 -18.702 -2.623 -7.175 1.00 0.00 C ATOM 787 CD ARG A 50 -20.015 -3.414 -7.203 1.00 0.00 C ATOM 788 NE ARG A 50 -19.997 -4.359 -8.354 1.00 0.00 N ATOM 789 CZ ARG A 50 -20.473 -3.988 -9.511 1.00 0.00 C ATOM 790 NH1 ARG A 50 -21.746 -4.117 -9.763 1.00 0.00 N ATOM 791 NH2 ARG A 50 -19.675 -3.488 -10.415 1.00 0.00 N ATOM 0 H ARG A 50 -15.707 -2.989 -4.718 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.796 -1.176 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.783 -3.369 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.154 -4.141 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.906 -1.570 -6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -18.212 -2.680 -8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -20.142 -3.962 -6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.861 -2.733 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 50 -19.612 -5.297 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.369 -4.508 -9.056 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -22.119 -3.827 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.679 -3.387 -10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -20.047 -3.198 -11.319 1.00 0.00 H new ATOM 805 N GLY A 51 -19.322 -1.423 -3.306 1.00 0.00 N ATOM 806 CA GLY A 51 -20.412 -1.581 -2.293 1.00 0.00 C ATOM 807 C GLY A 51 -20.150 -0.649 -1.107 1.00 0.00 C ATOM 808 O GLY A 51 -21.077 -0.160 -0.483 1.00 0.00 O ATOM 0 H GLY A 51 -19.042 -0.458 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.377 -1.350 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.459 -2.615 -1.952 1.00 0.00 H new ATOM 812 N VAL A 52 -18.892 -0.409 -0.798 1.00 0.00 N ATOM 813 CA VAL A 52 -18.534 0.487 0.349 1.00 0.00 C ATOM 814 C VAL A 52 -18.920 1.930 0.012 1.00 0.00 C ATOM 815 O VAL A 52 -18.542 2.450 -1.024 1.00 0.00 O ATOM 816 CB VAL A 52 -17.026 0.404 0.602 1.00 0.00 C ATOM 817 CG1 VAL A 52 -16.675 1.180 1.873 1.00 0.00 C ATOM 818 CG2 VAL A 52 -16.617 -1.062 0.771 1.00 0.00 C ATOM 0 H VAL A 52 -18.094 -0.801 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.072 0.171 1.243 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.493 0.836 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.601 1.120 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.965 2.224 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.208 0.750 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -15.544 -1.122 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.152 -1.494 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.864 -1.615 -0.135 1.00 0.00 H new ATOM 828 N ILE A 53 -19.671 2.571 0.887 1.00 0.00 N ATOM 829 CA ILE A 53 -20.101 3.987 0.648 1.00 0.00 C ATOM 830 C ILE A 53 -19.428 4.909 1.666 1.00 0.00 C ATOM 831 O ILE A 53 -19.027 6.014 1.337 1.00 0.00 O ATOM 832 CB ILE A 53 -21.620 4.093 0.805 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.312 3.056 -0.095 1.00 0.00 C ATOM 834 CG2 ILE A 53 -22.079 5.505 0.419 1.00 0.00 C ATOM 835 CD1 ILE A 53 -21.948 3.297 -1.565 1.00 0.00 C ATOM 0 H ILE A 53 -20.005 2.167 1.762 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.812 4.283 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 53 -21.889 3.898 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.012 2.051 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.393 3.117 0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.161 5.579 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.596 6.235 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.807 5.705 -0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.446 2.555 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -22.271 4.295 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -20.869 3.212 -1.691 1.00 0.00 H new ATOM 847 N PHE A 54 -19.297 4.454 2.890 1.00 0.00 N ATOM 848 CA PHE A 54 -18.641 5.279 3.952 1.00 0.00 C ATOM 849 C PHE A 54 -17.378 4.570 4.440 1.00 0.00 C ATOM 850 O PHE A 54 -17.115 3.433 4.079 1.00 0.00 O ATOM 851 CB PHE A 54 -19.599 5.500 5.131 1.00 0.00 C ATOM 852 CG PHE A 54 -20.271 4.203 5.524 1.00 0.00 C ATOM 853 CD1 PHE A 54 -21.484 3.838 4.928 1.00 0.00 C ATOM 854 CD2 PHE A 54 -19.688 3.375 6.490 1.00 0.00 C ATOM 855 CE1 PHE A 54 -22.115 2.645 5.300 1.00 0.00 C ATOM 856 CE2 PHE A 54 -20.318 2.181 6.860 1.00 0.00 C ATOM 857 CZ PHE A 54 -21.532 1.816 6.266 1.00 0.00 C ATOM 0 H PHE A 54 -19.620 3.538 3.200 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.378 6.250 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -19.050 5.903 5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -20.353 6.239 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -21.933 4.477 4.182 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.752 3.657 6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -23.052 2.364 4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -19.867 1.541 7.604 1.00 0.00 H new ATOM 0 HZ PHE A 54 -22.019 0.895 6.553 1.00 0.00 H new ATOM 867 N SER A 55 -16.594 5.247 5.249 1.00 0.00 N ATOM 868 CA SER A 55 -15.324 4.657 5.779 1.00 0.00 C ATOM 869 C SER A 55 -15.613 3.326 6.483 1.00 0.00 C ATOM 870 O SER A 55 -16.354 3.279 7.451 1.00 0.00 O ATOM 871 CB SER A 55 -14.695 5.632 6.774 1.00 0.00 C ATOM 872 OG SER A 55 -15.573 5.805 7.879 1.00 0.00 O ATOM 0 H SER A 55 -16.785 6.197 5.568 1.00 0.00 H new ATOM 0 HA SER A 55 -14.639 4.478 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.732 5.251 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.505 6.591 6.291 1.00 0.00 H new ATOM 0 HG SER A 55 -16.125 5.002 7.987 1.00 0.00 H new ATOM 878 N ALA A 56 -15.023 2.253 5.995 1.00 0.00 N ATOM 879 CA ALA A 56 -15.235 0.905 6.611 1.00 0.00 C ATOM 880 C ALA A 56 -14.001 0.038 6.354 1.00 0.00 C ATOM 881 O ALA A 56 -13.302 0.233 5.378 1.00 0.00 O ATOM 882 CB ALA A 56 -16.464 0.246 5.981 1.00 0.00 C ATOM 0 H ALA A 56 -14.399 2.259 5.188 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.392 1.010 7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.620 -0.736 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.341 0.869 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.308 0.135 4.908 1.00 0.00 H new ATOM 888 N ASP A 57 -13.735 -0.913 7.224 1.00 0.00 N ATOM 889 CA ASP A 57 -12.543 -1.804 7.047 1.00 0.00 C ATOM 890 C ASP A 57 -12.975 -3.115 6.386 1.00 0.00 C ATOM 891 O ASP A 57 -14.000 -3.681 6.733 1.00 0.00 O ATOM 892 CB ASP A 57 -11.923 -2.100 8.414 1.00 0.00 C ATOM 893 CG ASP A 57 -11.516 -0.787 9.086 1.00 0.00 C ATOM 894 OD1 ASP A 57 -10.533 -0.206 8.657 1.00 0.00 O ATOM 895 OD2 ASP A 57 -12.192 -0.387 10.020 1.00 0.00 O ATOM 0 H ASP A 57 -14.297 -1.109 8.052 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.809 -1.306 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.637 -2.635 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.053 -2.746 8.298 1.00 0.00 H new ATOM 900 N VAL A 58 -12.196 -3.593 5.437 1.00 0.00 N ATOM 901 CA VAL A 58 -12.529 -4.869 4.727 1.00 0.00 C ATOM 902 C VAL A 58 -11.249 -5.694 4.546 1.00 0.00 C ATOM 903 O VAL A 58 -10.161 -5.147 4.528 1.00 0.00 O ATOM 904 CB VAL A 58 -13.144 -4.546 3.356 1.00 0.00 C ATOM 905 CG1 VAL A 58 -12.121 -3.816 2.475 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.572 -5.846 2.668 1.00 0.00 C ATOM 0 H VAL A 58 -11.335 -3.145 5.124 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.247 -5.442 5.313 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.012 -3.903 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.569 -3.593 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.821 -2.887 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.246 -4.450 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.008 -5.617 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -12.703 -6.490 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.310 -6.358 3.285 1.00 0.00 H new ATOM 916 N LEU A 59 -11.383 -6.996 4.402 1.00 0.00 N ATOM 917 CA LEU A 59 -10.186 -7.873 4.213 1.00 0.00 C ATOM 918 C LEU A 59 -10.138 -8.361 2.763 1.00 0.00 C ATOM 919 O LEU A 59 -11.152 -8.728 2.194 1.00 0.00 O ATOM 920 CB LEU A 59 -10.279 -9.074 5.155 1.00 0.00 C ATOM 921 CG LEU A 59 -9.879 -8.648 6.568 1.00 0.00 C ATOM 922 CD1 LEU A 59 -10.267 -9.747 7.559 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.367 -8.420 6.623 1.00 0.00 C ATOM 0 H LEU A 59 -12.277 -7.487 4.408 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.281 -7.308 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.295 -9.470 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.626 -9.874 4.807 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.394 -7.724 6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.983 -9.445 8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.344 -9.909 7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.751 -10.671 7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.081 -8.116 7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.850 -9.343 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.091 -7.638 5.916 1.00 0.00 H new ATOM 935 N SER A 60 -8.960 -8.366 2.169 1.00 0.00 N ATOM 936 CA SER A 60 -8.800 -8.826 0.747 1.00 0.00 C ATOM 937 C SER A 60 -9.451 -10.201 0.558 1.00 0.00 C ATOM 938 O SER A 60 -9.537 -10.984 1.489 1.00 0.00 O ATOM 939 CB SER A 60 -7.312 -8.923 0.416 1.00 0.00 C ATOM 940 OG SER A 60 -6.636 -9.565 1.488 1.00 0.00 O ATOM 0 H SER A 60 -8.094 -8.067 2.617 1.00 0.00 H new ATOM 0 HA SER A 60 -9.285 -8.110 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.168 -9.483 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.898 -7.928 0.253 1.00 0.00 H new ATOM 0 HG SER A 60 -7.266 -10.133 1.978 1.00 0.00 H new ATOM 946 N ASN A 61 -9.902 -10.488 -0.645 1.00 0.00 N ATOM 947 CA ASN A 61 -10.551 -11.805 -0.934 1.00 0.00 C ATOM 948 C ASN A 61 -9.505 -12.917 -0.830 1.00 0.00 C ATOM 949 O ASN A 61 -9.824 -14.042 -0.478 1.00 0.00 O ATOM 950 CB ASN A 61 -11.139 -11.784 -2.350 1.00 0.00 C ATOM 951 CG ASN A 61 -11.878 -13.098 -2.623 1.00 0.00 C ATOM 952 OD1 ASN A 61 -12.881 -13.384 -2.000 1.00 0.00 O ATOM 953 ND2 ASN A 61 -11.419 -13.914 -3.532 1.00 0.00 N ATOM 0 H ASN A 61 -9.846 -9.857 -1.444 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.349 -11.987 -0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.823 -10.942 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.344 -11.644 -3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.902 -14.792 -3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.577 -13.673 -4.055 1.00 0.00 H new ATOM 960 N SER A 62 -8.265 -12.601 -1.136 1.00 0.00 N ATOM 961 CA SER A 62 -7.168 -13.619 -1.068 1.00 0.00 C ATOM 962 C SER A 62 -5.821 -12.908 -0.931 1.00 0.00 C ATOM 963 O SER A 62 -5.629 -11.827 -1.463 1.00 0.00 O ATOM 964 CB SER A 62 -7.169 -14.466 -2.341 1.00 0.00 C ATOM 965 OG SER A 62 -8.023 -15.589 -2.160 1.00 0.00 O ATOM 0 H SER A 62 -7.966 -11.672 -1.432 1.00 0.00 H new ATOM 0 HA SER A 62 -7.330 -14.265 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.509 -13.870 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.157 -14.798 -2.571 1.00 0.00 H new ATOM 0 HG SER A 62 -8.776 -15.338 -1.586 1.00 0.00 H new ATOM 971 N GLU A 63 -4.897 -13.515 -0.217 1.00 0.00 N ATOM 972 CA GLU A 63 -3.544 -12.905 -0.019 1.00 0.00 C ATOM 973 C GLU A 63 -2.866 -12.687 -1.374 1.00 0.00 C ATOM 974 O GLU A 63 -2.938 -13.531 -2.254 1.00 0.00 O ATOM 975 CB GLU A 63 -2.680 -13.841 0.834 1.00 0.00 C ATOM 976 CG GLU A 63 -2.597 -15.219 0.174 1.00 0.00 C ATOM 977 CD GLU A 63 -2.454 -16.293 1.254 1.00 0.00 C ATOM 978 OE1 GLU A 63 -1.332 -16.560 1.650 1.00 0.00 O ATOM 979 OE2 GLU A 63 -3.469 -16.830 1.665 1.00 0.00 O ATOM 0 H GLU A 63 -5.027 -14.417 0.241 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.657 -11.946 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.680 -13.423 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.105 -13.932 1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.491 -15.403 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.747 -15.257 -0.507 1.00 0.00 H new ATOM 986 N PHE A 64 -2.203 -11.563 -1.530 1.00 0.00 N ATOM 987 CA PHE A 64 -1.488 -11.255 -2.813 1.00 0.00 C ATOM 988 C PHE A 64 -0.002 -11.090 -2.522 1.00 0.00 C ATOM 989 O PHE A 64 0.419 -11.088 -1.371 1.00 0.00 O ATOM 990 CB PHE A 64 -1.999 -9.940 -3.423 1.00 0.00 C ATOM 991 CG PHE A 64 -3.508 -9.873 -3.350 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.288 -10.636 -4.229 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.124 -9.046 -2.405 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.686 -10.571 -4.160 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.520 -8.982 -2.337 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.301 -9.744 -3.213 1.00 0.00 C ATOM 0 H PHE A 64 -2.126 -10.839 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.667 -12.072 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.565 -9.093 -2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.676 -9.864 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.812 -11.274 -4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.522 -8.457 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.288 -11.159 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.996 -8.343 -1.607 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.378 -9.694 -3.158 1.00 0.00 H new ATOM 1006 N TYR A 65 0.783 -10.916 -3.561 1.00 0.00 N ATOM 1007 CA TYR A 65 2.244 -10.703 -3.378 1.00 0.00 C ATOM 1008 C TYR A 65 2.418 -9.301 -2.814 1.00 0.00 C ATOM 1009 O TYR A 65 1.692 -8.393 -3.190 1.00 0.00 O ATOM 1010 CB TYR A 65 2.968 -10.827 -4.717 1.00 0.00 C ATOM 1011 CG TYR A 65 3.071 -12.284 -5.096 1.00 0.00 C ATOM 1012 CD1 TYR A 65 3.723 -13.182 -4.244 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.511 -12.738 -6.296 1.00 0.00 C ATOM 1014 CE1 TYR A 65 3.819 -14.535 -4.593 1.00 0.00 C ATOM 1015 CE2 TYR A 65 2.607 -14.090 -6.646 1.00 0.00 C ATOM 1016 CZ TYR A 65 3.261 -14.989 -5.794 1.00 0.00 C ATOM 1017 OH TYR A 65 3.353 -16.322 -6.138 1.00 0.00 O ATOM 0 H TYR A 65 0.466 -10.913 -4.531 1.00 0.00 H new ATOM 0 HA TYR A 65 2.665 -11.449 -2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.428 -10.276 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.963 -10.386 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.152 -12.832 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.005 -12.045 -6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.323 -15.228 -3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.177 -14.440 -7.573 1.00 0.00 H new ATOM 0 HH TYR A 65 2.913 -16.468 -7.001 1.00 0.00 H new ATOM 1027 N LEU A 66 3.339 -9.123 -1.900 1.00 0.00 N ATOM 1028 CA LEU A 66 3.530 -7.778 -1.280 1.00 0.00 C ATOM 1029 C LEU A 66 4.958 -7.289 -1.489 1.00 0.00 C ATOM 1030 O LEU A 66 5.914 -7.943 -1.102 1.00 0.00 O ATOM 1031 CB LEU A 66 3.236 -7.846 0.226 1.00 0.00 C ATOM 1032 CG LEU A 66 1.962 -8.660 0.489 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.733 -8.780 1.997 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.764 -7.956 -0.154 1.00 0.00 C ATOM 0 H LEU A 66 3.966 -9.851 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 66 2.841 -7.082 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.079 -8.300 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.120 -6.839 0.626 1.00 0.00 H new ATOM 0 HG LEU A 66 2.073 -9.655 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.828 -9.358 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.585 -9.282 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.623 -7.785 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.141 -8.534 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.654 -6.960 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.925 -7.872 -1.229 1.00 0.00 H new ATOM 1046 N ALA A 67 5.088 -6.122 -2.074 1.00 0.00 N ATOM 1047 CA ALA A 67 6.426 -5.507 -2.307 1.00 0.00 C ATOM 1048 C ALA A 67 6.525 -4.297 -1.385 1.00 0.00 C ATOM 1049 O ALA A 67 5.966 -3.248 -1.672 1.00 0.00 O ATOM 1050 CB ALA A 67 6.547 -5.064 -3.767 1.00 0.00 C ATOM 0 H ALA A 67 4.303 -5.561 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 67 7.226 -6.219 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.527 -4.615 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.430 -5.928 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.771 -4.332 -3.991 1.00 0.00 H new ATOM 1056 N GLU A 68 7.197 -4.450 -0.266 1.00 0.00 N ATOM 1057 CA GLU A 68 7.302 -3.321 0.712 1.00 0.00 C ATOM 1058 C GLU A 68 8.704 -2.737 0.733 1.00 0.00 C ATOM 1059 O GLU A 68 9.687 -3.414 0.480 1.00 0.00 O ATOM 1060 CB GLU A 68 6.928 -3.785 2.131 1.00 0.00 C ATOM 1061 CG GLU A 68 7.442 -5.205 2.398 1.00 0.00 C ATOM 1062 CD GLU A 68 7.220 -5.560 3.867 1.00 0.00 C ATOM 1063 OE1 GLU A 68 7.907 -4.994 4.702 1.00 0.00 O ATOM 1064 OE2 GLU A 68 6.367 -6.389 4.135 1.00 0.00 O ATOM 0 H GLU A 68 7.676 -5.307 0.010 1.00 0.00 H new ATOM 0 HA GLU A 68 6.602 -2.551 0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.349 -3.098 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.845 -3.757 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.922 -5.918 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.502 -5.271 2.153 1.00 0.00 H new ATOM 1071 N CYS A 69 8.773 -1.470 1.052 1.00 0.00 N ATOM 1072 CA CYS A 69 10.070 -0.749 1.131 1.00 0.00 C ATOM 1073 C CYS A 69 10.348 -0.450 2.608 1.00 0.00 C ATOM 1074 O CYS A 69 9.802 0.490 3.165 1.00 0.00 O ATOM 1075 CB CYS A 69 9.954 0.562 0.348 1.00 0.00 C ATOM 1076 SG CYS A 69 10.377 0.284 -1.392 1.00 0.00 S ATOM 0 H CYS A 69 7.959 -0.894 1.266 1.00 0.00 H new ATOM 0 HA CYS A 69 10.879 -1.346 0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 69 8.940 0.953 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.619 1.312 0.777 1.00 0.00 H new ATOM 1081 N ASN A 70 11.169 -1.258 3.247 1.00 0.00 N ATOM 1082 CA ASN A 70 11.472 -1.051 4.700 1.00 0.00 C ATOM 1083 C ASN A 70 12.802 -0.313 4.855 1.00 0.00 C ATOM 1084 O ASN A 70 13.790 -0.663 4.230 1.00 0.00 O ATOM 1085 CB ASN A 70 11.554 -2.410 5.401 1.00 0.00 C ATOM 1086 CG ASN A 70 10.198 -3.116 5.314 1.00 0.00 C ATOM 1087 OD1 ASN A 70 9.632 -3.240 4.246 1.00 0.00 O ATOM 1088 ND2 ASN A 70 9.647 -3.587 6.400 1.00 0.00 N ATOM 0 H ASN A 70 11.642 -2.054 2.820 1.00 0.00 H new ATOM 0 HA ASN A 70 10.679 -0.454 5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.325 -3.024 4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.839 -2.276 6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.743 -4.058 6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.120 -3.484 7.298 1.00 0.00 H new ATOM 1095 N VAL A 71 12.819 0.707 5.687 1.00 0.00 N ATOM 1096 CA VAL A 71 14.065 1.501 5.914 1.00 0.00 C ATOM 1097 C VAL A 71 14.757 1.015 7.189 1.00 0.00 C ATOM 1098 O VAL A 71 14.212 1.119 8.276 1.00 0.00 O ATOM 1099 CB VAL A 71 13.696 2.980 6.053 1.00 0.00 C ATOM 1100 CG1 VAL A 71 14.953 3.822 6.287 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.018 3.440 4.767 1.00 0.00 C ATOM 0 H VAL A 71 12.010 1.023 6.222 1.00 0.00 H new ATOM 0 HA VAL A 71 14.744 1.373 5.071 1.00 0.00 H new ATOM 0 HB VAL A 71 13.025 3.105 6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.675 4.872 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.447 3.492 7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.633 3.703 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.750 4.493 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.701 3.307 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.118 2.849 4.599 1.00 0.00 H new ATOM 1111 N LYS A 72 15.957 0.493 7.050 1.00 0.00 N ATOM 1112 CA LYS A 72 16.725 -0.007 8.236 1.00 0.00 C ATOM 1113 C LYS A 72 16.926 1.151 9.239 1.00 0.00 C ATOM 1114 O LYS A 72 17.085 2.284 8.820 1.00 0.00 O ATOM 1115 CB LYS A 72 18.085 -0.531 7.771 1.00 0.00 C ATOM 1116 CG LYS A 72 17.877 -1.757 6.879 1.00 0.00 C ATOM 1117 CD LYS A 72 19.178 -2.087 6.143 1.00 0.00 C ATOM 1118 CE LYS A 72 19.155 -1.460 4.748 1.00 0.00 C ATOM 1119 NZ LYS A 72 20.406 -1.819 4.022 1.00 0.00 N ATOM 0 H LYS A 72 16.439 0.392 6.157 1.00 0.00 H new ATOM 0 HA LYS A 72 16.174 -0.813 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.619 0.245 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.700 -0.793 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.563 -2.609 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.080 -1.565 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.032 -1.711 6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.299 -3.167 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.286 -1.813 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.065 -0.377 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.391 -1.393 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.228 -1.462 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.473 -2.853 3.936 1.00 0.00 H new ATOM 1133 N PRO A 73 16.899 0.848 10.536 1.00 0.00 N ATOM 1134 CA PRO A 73 17.061 1.872 11.594 1.00 0.00 C ATOM 1135 C PRO A 73 18.535 2.252 11.790 1.00 0.00 C ATOM 1136 O PRO A 73 19.427 1.456 11.549 1.00 0.00 O ATOM 1137 CB PRO A 73 16.522 1.183 12.852 1.00 0.00 C ATOM 1138 CG PRO A 73 16.628 -0.339 12.595 1.00 0.00 C ATOM 1139 CD PRO A 73 16.704 -0.526 11.069 1.00 0.00 C ATOM 0 HA PRO A 73 16.543 2.799 11.351 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.100 1.470 13.730 1.00 0.00 H new ATOM 0 HB3 PRO A 73 15.489 1.474 13.042 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.512 -0.753 13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.765 -0.862 13.006 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.529 -1.181 10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.792 -0.978 10.678 1.00 0.00 H new ATOM 1147 N ARG A 74 18.773 3.467 12.242 1.00 0.00 N ATOM 1148 CA ARG A 74 20.169 3.958 12.494 1.00 0.00 C ATOM 1149 C ARG A 74 20.949 4.026 11.175 1.00 0.00 C ATOM 1150 O ARG A 74 22.163 3.878 11.149 1.00 0.00 O ATOM 1151 CB ARG A 74 20.872 3.017 13.484 1.00 0.00 C ATOM 1152 CG ARG A 74 20.787 3.599 14.900 1.00 0.00 C ATOM 1153 CD ARG A 74 21.992 4.505 15.159 1.00 0.00 C ATOM 1154 NE ARG A 74 21.649 5.494 16.221 1.00 0.00 N ATOM 1155 CZ ARG A 74 21.467 6.750 15.912 1.00 0.00 C ATOM 1156 NH1 ARG A 74 20.495 7.091 15.110 1.00 0.00 N ATOM 1157 NH2 ARG A 74 22.259 7.665 16.400 1.00 0.00 N ATOM 0 H ARG A 74 18.044 4.149 12.450 1.00 0.00 H new ATOM 0 HA ARG A 74 20.129 4.959 12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 74 20.407 2.032 13.457 1.00 0.00 H new ATOM 0 HB3 ARG A 74 21.915 2.885 13.197 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.863 4.165 15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.761 2.793 15.634 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.850 3.908 15.466 1.00 0.00 H new ATOM 0 HD3 ARG A 74 22.275 5.023 14.243 1.00 0.00 H new ATOM 0 HE ARG A 74 21.556 5.189 17.190 1.00 0.00 H new ATOM 0 HH11 ARG A 74 19.877 6.377 14.725 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.353 8.072 14.869 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.021 7.400 17.024 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.116 8.645 16.158 1.00 0.00 H new ATOM 1171 N LYS A 75 20.252 4.269 10.085 1.00 0.00 N ATOM 1172 CA LYS A 75 20.922 4.372 8.750 1.00 0.00 C ATOM 1173 C LYS A 75 20.405 5.624 8.017 1.00 0.00 C ATOM 1174 O LYS A 75 19.308 6.074 8.296 1.00 0.00 O ATOM 1175 CB LYS A 75 20.622 3.118 7.925 1.00 0.00 C ATOM 1176 CG LYS A 75 21.027 1.874 8.726 1.00 0.00 C ATOM 1177 CD LYS A 75 21.657 0.835 7.790 1.00 0.00 C ATOM 1178 CE LYS A 75 22.847 0.169 8.488 1.00 0.00 C ATOM 1179 NZ LYS A 75 22.942 -1.256 8.064 1.00 0.00 N ATOM 0 H LYS A 75 19.241 4.401 10.067 1.00 0.00 H new ATOM 0 HA LYS A 75 22.000 4.455 8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.561 3.076 7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.167 3.150 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.735 2.149 9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.154 1.449 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.917 0.084 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.985 1.314 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.769 0.695 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.728 0.230 9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.750 -1.706 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.067 -1.754 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.075 -1.303 7.034 1.00 0.00 H new ATOM 1193 N PRO A 76 21.214 6.165 7.110 1.00 0.00 N ATOM 1194 CA PRO A 76 20.847 7.378 6.349 1.00 0.00 C ATOM 1195 C PRO A 76 19.844 7.044 5.232 1.00 0.00 C ATOM 1196 O PRO A 76 20.203 6.899 4.072 1.00 0.00 O ATOM 1197 CB PRO A 76 22.187 7.870 5.782 1.00 0.00 C ATOM 1198 CG PRO A 76 23.128 6.645 5.759 1.00 0.00 C ATOM 1199 CD PRO A 76 22.553 5.625 6.759 1.00 0.00 C ATOM 0 HA PRO A 76 20.354 8.134 6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 76 22.058 8.279 4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.601 8.666 6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.182 6.217 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.142 6.931 6.038 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.477 4.633 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.187 5.532 7.640 1.00 0.00 H new ATOM 1207 N CYS A 77 18.581 6.931 5.591 1.00 0.00 N ATOM 1208 CA CYS A 77 17.503 6.620 4.594 1.00 0.00 C ATOM 1209 C CYS A 77 17.908 5.420 3.709 1.00 0.00 C ATOM 1210 O CYS A 77 17.888 5.490 2.486 1.00 0.00 O ATOM 1211 CB CYS A 77 17.240 7.867 3.737 1.00 0.00 C ATOM 1212 SG CYS A 77 16.017 8.917 4.564 1.00 0.00 S ATOM 0 H CYS A 77 18.249 7.043 6.549 1.00 0.00 H new ATOM 0 HA CYS A 77 16.589 6.346 5.121 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.167 8.420 3.585 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.878 7.575 2.751 1.00 0.00 H new ATOM 1217 N LYS A 78 18.254 4.315 4.336 1.00 0.00 N ATOM 1218 CA LYS A 78 18.642 3.086 3.577 1.00 0.00 C ATOM 1219 C LYS A 78 17.417 2.179 3.495 1.00 0.00 C ATOM 1220 O LYS A 78 16.854 1.799 4.509 1.00 0.00 O ATOM 1221 CB LYS A 78 19.781 2.364 4.302 1.00 0.00 C ATOM 1222 CG LYS A 78 20.949 3.333 4.518 1.00 0.00 C ATOM 1223 CD LYS A 78 21.521 3.764 3.164 1.00 0.00 C ATOM 1224 CE LYS A 78 23.041 3.918 3.273 1.00 0.00 C ATOM 1225 NZ LYS A 78 23.519 4.859 2.221 1.00 0.00 N ATOM 0 H LYS A 78 18.283 4.216 5.351 1.00 0.00 H new ATOM 0 HA LYS A 78 18.985 3.349 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.431 1.981 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.111 1.505 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.611 4.207 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.725 2.855 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 78 21.274 3.025 2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 78 21.071 4.707 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 78 23.310 4.292 4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 78 23.525 2.948 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 24.551 4.965 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 23.274 4.484 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.066 5.786 2.352 1.00 0.00 H new ATOM 1239 N TYR A 79 16.986 1.868 2.293 1.00 0.00 N ATOM 1240 CA TYR A 79 15.769 1.021 2.105 1.00 0.00 C ATOM 1241 C TYR A 79 16.154 -0.401 1.693 1.00 0.00 C ATOM 1242 O TYR A 79 17.240 -0.644 1.194 1.00 0.00 O ATOM 1243 CB TYR A 79 14.900 1.632 1.005 1.00 0.00 C ATOM 1244 CG TYR A 79 14.257 2.917 1.486 1.00 0.00 C ATOM 1245 CD1 TYR A 79 15.048 4.011 1.861 1.00 0.00 C ATOM 1246 CD2 TYR A 79 12.864 3.014 1.547 1.00 0.00 C ATOM 1247 CE1 TYR A 79 14.440 5.195 2.298 1.00 0.00 C ATOM 1248 CE2 TYR A 79 12.258 4.196 1.981 1.00 0.00 C ATOM 1249 CZ TYR A 79 13.046 5.288 2.357 1.00 0.00 C ATOM 1250 OH TYR A 79 12.449 6.452 2.788 1.00 0.00 O ATOM 0 H TYR A 79 17.433 2.170 1.427 1.00 0.00 H new ATOM 0 HA TYR A 79 15.225 0.981 3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.508 1.831 0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.128 0.922 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 79 16.125 3.942 1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.253 2.172 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 79 15.049 6.038 2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.181 4.266 2.026 1.00 0.00 H new ATOM 0 HH TYR A 79 12.073 6.315 3.682 1.00 0.00 H new ATOM 1260 N LYS A 80 15.241 -1.327 1.891 1.00 0.00 N ATOM 1261 CA LYS A 80 15.478 -2.756 1.513 1.00 0.00 C ATOM 1262 C LYS A 80 14.155 -3.356 1.021 1.00 0.00 C ATOM 1263 O LYS A 80 13.129 -3.212 1.667 1.00 0.00 O ATOM 1264 CB LYS A 80 15.977 -3.530 2.737 1.00 0.00 C ATOM 1265 CG LYS A 80 16.595 -4.857 2.288 1.00 0.00 C ATOM 1266 CD LYS A 80 17.951 -4.599 1.627 1.00 0.00 C ATOM 1267 CE LYS A 80 18.658 -5.933 1.381 1.00 0.00 C ATOM 1268 NZ LYS A 80 19.965 -5.689 0.710 1.00 0.00 N ATOM 0 H LYS A 80 14.327 -1.146 2.306 1.00 0.00 H new ATOM 0 HA LYS A 80 16.228 -2.819 0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.715 -2.938 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.151 -3.716 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.718 -5.520 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.929 -5.361 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.814 -4.068 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.564 -3.962 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.814 -6.453 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.035 -6.578 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.444 -6.597 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.804 -5.210 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.560 -5.089 1.317 1.00 0.00 H new ATOM 1282 N LEU A 81 14.174 -4.009 -0.124 1.00 0.00 N ATOM 1283 CA LEU A 81 12.923 -4.610 -0.692 1.00 0.00 C ATOM 1284 C LEU A 81 12.594 -5.920 0.029 1.00 0.00 C ATOM 1285 O LEU A 81 13.455 -6.766 0.216 1.00 0.00 O ATOM 1286 CB LEU A 81 13.131 -4.888 -2.188 1.00 0.00 C ATOM 1287 CG LEU A 81 11.881 -4.493 -2.989 1.00 0.00 C ATOM 1288 CD1 LEU A 81 10.662 -5.274 -2.488 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.621 -2.993 -2.834 1.00 0.00 C ATOM 0 H LEU A 81 15.010 -4.150 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 81 12.096 -3.913 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.994 -4.330 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.348 -5.945 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 81 12.049 -4.729 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.783 -4.985 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.840 -6.343 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.495 -5.051 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.734 -2.717 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.464 -2.758 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.480 -2.434 -3.207 1.00 0.00 H new ATOM 1301 N LYS A 82 11.345 -6.089 0.422 1.00 0.00 N ATOM 1302 CA LYS A 82 10.919 -7.340 1.124 1.00 0.00 C ATOM 1303 C LYS A 82 9.669 -7.900 0.433 1.00 0.00 C ATOM 1304 O LYS A 82 8.660 -7.223 0.327 1.00 0.00 O ATOM 1305 CB LYS A 82 10.606 -7.020 2.596 1.00 0.00 C ATOM 1306 CG LYS A 82 11.593 -7.756 3.514 1.00 0.00 C ATOM 1307 CD LYS A 82 10.851 -8.323 4.729 1.00 0.00 C ATOM 1308 CE LYS A 82 10.432 -9.770 4.442 1.00 0.00 C ATOM 1309 NZ LYS A 82 10.571 -10.602 5.677 1.00 0.00 N ATOM 0 H LYS A 82 10.602 -5.405 0.282 1.00 0.00 H new ATOM 0 HA LYS A 82 11.718 -8.080 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.671 -5.945 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.585 -7.318 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.081 -8.562 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.377 -7.073 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.492 -8.287 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.973 -7.716 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.400 -9.795 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.049 -10.184 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.284 -11.580 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.562 -10.591 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.964 -10.214 6.427 1.00 0.00 H new ATOM 1323 N LYS A 83 9.745 -9.127 -0.039 1.00 0.00 N ATOM 1324 CA LYS A 83 8.582 -9.762 -0.738 1.00 0.00 C ATOM 1325 C LYS A 83 7.829 -10.667 0.239 1.00 0.00 C ATOM 1326 O LYS A 83 8.428 -11.284 1.105 1.00 0.00 O ATOM 1327 CB LYS A 83 9.096 -10.599 -1.910 1.00 0.00 C ATOM 1328 CG LYS A 83 9.779 -9.686 -2.930 1.00 0.00 C ATOM 1329 CD LYS A 83 11.270 -9.579 -2.600 1.00 0.00 C ATOM 1330 CE LYS A 83 12.064 -9.301 -3.879 1.00 0.00 C ATOM 1331 NZ LYS A 83 11.776 -10.360 -4.889 1.00 0.00 N ATOM 0 H LYS A 83 10.573 -9.719 0.033 1.00 0.00 H new ATOM 0 HA LYS A 83 7.910 -8.987 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.799 -11.352 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.269 -11.132 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.646 -10.083 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.320 -8.697 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.436 -8.780 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.617 -10.504 -2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.798 -8.322 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.131 -9.276 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.657 -10.626 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.377 -11.194 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.093 -9.999 -5.585 1.00 0.00 H new ATOM 1345 N SER A 84 6.518 -10.742 0.102 1.00 0.00 N ATOM 1346 CA SER A 84 5.697 -11.600 1.017 1.00 0.00 C ATOM 1347 C SER A 84 4.348 -11.926 0.369 1.00 0.00 C ATOM 1348 O SER A 84 4.055 -11.492 -0.732 1.00 0.00 O ATOM 1349 CB SER A 84 5.458 -10.852 2.330 1.00 0.00 C ATOM 1350 OG SER A 84 6.686 -10.743 3.037 1.00 0.00 O ATOM 0 H SER A 84 5.984 -10.242 -0.609 1.00 0.00 H new ATOM 0 HA SER A 84 6.233 -12.529 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.051 -9.861 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.722 -11.382 2.935 1.00 0.00 H new ATOM 0 HG SER A 84 7.385 -11.233 2.556 1.00 0.00 H new ATOM 1356 N SER A 85 3.533 -12.687 1.065 1.00 0.00 N ATOM 1357 CA SER A 85 2.179 -13.070 0.548 1.00 0.00 C ATOM 1358 C SER A 85 1.204 -13.106 1.722 1.00 0.00 C ATOM 1359 O SER A 85 1.345 -13.923 2.618 1.00 0.00 O ATOM 1360 CB SER A 85 2.245 -14.454 -0.103 1.00 0.00 C ATOM 1361 OG SER A 85 1.081 -14.654 -0.894 1.00 0.00 O ATOM 0 H SER A 85 3.754 -13.065 1.986 1.00 0.00 H new ATOM 0 HA SER A 85 1.847 -12.345 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.138 -14.536 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.316 -15.226 0.663 1.00 0.00 H new ATOM 0 HG SER A 85 1.119 -15.538 -1.315 1.00 0.00 H new ATOM 1367 N ASN A 86 0.228 -12.219 1.731 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.757 -12.187 2.863 1.00 0.00 C ATOM 1369 C ASN A 86 -1.964 -11.322 2.498 1.00 0.00 C ATOM 1370 O ASN A 86 -1.942 -10.591 1.520 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.072 -11.595 4.097 1.00 0.00 C ATOM 1372 CG ASN A 86 -0.736 -12.134 5.365 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -1.272 -11.298 6.213 1.00 0.00 O flip ATOM 1374 ND2 ASN A 86 -0.763 -13.329 5.590 1.00 0.00 N flip ATOM 0 H ASN A 86 0.074 -11.520 1.005 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.100 -13.202 3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.988 -11.850 4.094 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.138 -10.507 4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.344 -13.982 4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.204 -13.678 6.441 1.00 0.00 H new ATOM 1381 N ARG A 87 -3.010 -11.399 3.299 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.240 -10.582 3.053 1.00 0.00 C ATOM 1383 C ARG A 87 -4.008 -9.166 3.593 1.00 0.00 C ATOM 1384 O ARG A 87 -2.915 -8.844 4.036 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.433 -11.219 3.772 1.00 0.00 C ATOM 1386 CG ARG A 87 -6.029 -12.326 2.895 1.00 0.00 C ATOM 1387 CD ARG A 87 -5.495 -13.689 3.344 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.485 -14.336 4.252 1.00 0.00 N ATOM 1389 CZ ARG A 87 -6.514 -15.636 4.368 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -5.422 -16.290 4.655 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -7.636 -16.282 4.199 1.00 0.00 N ATOM 0 H ARG A 87 -3.058 -12.002 4.120 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.450 -10.541 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.116 -11.631 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.189 -10.463 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.117 -12.311 2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.773 -12.152 1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.312 -14.323 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.541 -13.567 3.857 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.140 -13.762 4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.546 -15.786 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.445 -17.306 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.490 -15.771 3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.658 -17.298 4.290 1.00 0.00 H new ATOM 1405 N ILE A 88 -5.021 -8.321 3.556 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.852 -6.923 4.063 1.00 0.00 C ATOM 1407 C ILE A 88 -6.195 -6.334 4.492 1.00 0.00 C ATOM 1408 O ILE A 88 -7.194 -6.462 3.802 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.251 -6.045 2.960 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -5.037 -6.231 1.659 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.793 -6.442 2.731 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.581 -5.193 0.632 1.00 0.00 C ATOM 0 H ILE A 88 -5.950 -8.543 3.198 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.187 -6.950 4.926 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.304 -5.000 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.881 -7.237 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.105 -6.125 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.365 -5.818 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.229 -6.303 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.744 -7.488 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.141 -5.326 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.760 -4.191 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.517 -5.321 0.434 1.00 0.00 H new ATOM 1424 N CYS A 89 -6.196 -5.657 5.619 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.433 -4.995 6.133 1.00 0.00 C ATOM 1426 C CYS A 89 -7.349 -3.525 5.722 1.00 0.00 C ATOM 1427 O CYS A 89 -6.608 -2.759 6.308 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.481 -5.117 7.659 1.00 0.00 C ATOM 1429 SG CYS A 89 -9.118 -4.641 8.263 1.00 0.00 S ATOM 0 H CYS A 89 -5.375 -5.536 6.212 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.332 -5.459 5.728 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.257 -6.141 7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.719 -4.480 8.108 1.00 0.00 H new ATOM 0 HG CYS A 89 -8.990 -3.796 9.243 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.063 -3.153 4.681 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.002 -1.751 4.154 1.00 0.00 C ATOM 1436 C ILE A 90 -9.280 -0.963 4.508 1.00 0.00 C ATOM 1437 O ILE A 90 -10.343 -1.538 4.677 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.819 -1.849 2.628 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -7.539 -0.469 2.032 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -9.079 -2.441 1.977 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -6.059 -0.118 2.203 1.00 0.00 C ATOM 0 H ILE A 90 -8.693 -3.771 4.169 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.171 -1.211 4.608 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.969 -2.502 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.804 -0.459 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.159 0.281 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.936 -2.504 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.262 -3.438 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.935 -1.801 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.867 0.866 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.807 -0.109 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.447 -0.861 1.691 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.168 0.352 4.594 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.344 1.224 4.903 1.00 0.00 C ATOM 1455 C ARG A 91 -10.880 1.754 3.574 1.00 0.00 C ATOM 1456 O ARG A 91 -10.137 2.338 2.798 1.00 0.00 O ATOM 1457 CB ARG A 91 -9.894 2.389 5.791 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.097 3.265 6.155 1.00 0.00 C ATOM 1459 CD ARG A 91 -10.681 4.302 7.205 1.00 0.00 C ATOM 1460 NE ARG A 91 -11.106 3.837 8.556 1.00 0.00 N ATOM 1461 CZ ARG A 91 -10.517 4.301 9.626 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -9.358 3.826 9.994 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -11.093 5.237 10.330 1.00 0.00 N ATOM 0 H ARG A 91 -8.293 0.858 4.459 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.118 0.667 5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.425 2.006 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.144 2.985 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.477 3.767 5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.906 2.646 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.601 4.447 7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.137 5.266 6.980 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.859 3.155 8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.911 3.091 9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.900 4.190 10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.001 5.604 10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.635 5.601 11.166 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.145 1.522 3.292 1.00 0.00 N ATOM 1478 CA CYS A 92 -12.728 1.972 1.989 1.00 0.00 C ATOM 1479 C CYS A 92 -13.942 2.880 2.201 1.00 0.00 C ATOM 1480 O CYS A 92 -14.738 2.679 3.102 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.160 0.741 1.190 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.423 1.202 -0.538 1.00 0.00 S ATOM 0 H CYS A 92 -12.796 1.040 3.911 1.00 0.00 H new ATOM 0 HA CYS A 92 -11.969 2.539 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.398 -0.035 1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.076 0.326 1.610 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.085 3.856 1.333 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.243 4.801 1.385 1.00 0.00 C ATOM 1489 C GLU A 93 -15.529 5.261 -0.048 1.00 0.00 C ATOM 1490 O GLU A 93 -14.612 5.460 -0.831 1.00 0.00 O ATOM 1491 CB GLU A 93 -14.922 5.998 2.281 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.651 6.691 1.786 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.389 7.939 2.630 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -12.903 7.789 3.738 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.677 9.024 2.151 1.00 0.00 O ATOM 0 H GLU A 93 -13.430 4.039 0.573 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.118 4.306 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.755 6.701 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.789 5.667 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.803 6.009 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.758 6.965 0.736 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.790 5.384 -0.405 1.00 0.00 N ATOM 1503 CA HIS A 94 -17.162 5.776 -1.805 1.00 0.00 C ATOM 1504 C HIS A 94 -16.603 4.718 -2.775 1.00 0.00 C ATOM 1505 O HIS A 94 -16.428 4.980 -3.952 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.557 7.144 -2.145 1.00 0.00 C ATOM 1507 CG HIS A 94 -16.961 8.158 -1.113 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.114 8.920 -1.232 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.367 8.555 0.055 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.174 9.732 -0.159 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.133 9.548 0.658 1.00 0.00 N ATOM 0 H HIS A 94 -17.582 5.228 0.219 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.247 5.837 -1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.470 7.069 -2.187 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -16.893 7.464 -3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.443 8.157 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -18.966 10.444 0.019 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.941 10.032 1.535 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.320 3.523 -2.273 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.747 2.417 -3.114 1.00 0.00 C ATOM 1521 C GLU A 95 -14.257 2.702 -3.390 1.00 0.00 C ATOM 1522 O GLU A 95 -13.699 2.219 -4.365 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.510 2.282 -4.445 1.00 0.00 C ATOM 1524 CG GLU A 95 -18.018 2.308 -4.182 1.00 0.00 C ATOM 1525 CD GLU A 95 -18.764 1.897 -5.452 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.833 2.707 -6.361 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.253 0.780 -5.494 1.00 0.00 O ATOM 0 H GLU A 95 -16.468 3.271 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.848 1.478 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.235 3.095 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.234 1.351 -4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.267 1.630 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.327 3.307 -3.873 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.612 3.476 -2.529 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.156 3.797 -2.720 1.00 0.00 C ATOM 1536 C LEU A 96 -11.365 3.482 -1.431 1.00 0.00 C ATOM 1537 O LEU A 96 -11.624 4.100 -0.414 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.970 5.299 -3.000 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.340 5.666 -4.445 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -11.596 4.775 -5.451 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -13.846 5.519 -4.634 1.00 0.00 C ATOM 0 H LEU A 96 -14.038 3.897 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.796 3.198 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.587 5.875 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.934 5.578 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.044 6.699 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.878 5.058 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.521 4.902 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.861 3.732 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.111 5.779 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.139 4.488 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.366 6.184 -3.945 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.386 2.578 -1.504 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.531 2.256 -0.342 1.00 0.00 C ATOM 1555 C PRO A 97 -8.515 3.386 -0.182 1.00 0.00 C ATOM 1556 O PRO A 97 -7.626 3.536 -0.997 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.851 0.943 -0.734 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.902 0.869 -2.277 1.00 0.00 C ATOM 1559 CD PRO A 97 -10.041 1.802 -2.723 1.00 0.00 C ATOM 0 HA PRO A 97 -10.066 2.156 0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.821 0.918 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.364 0.091 -0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.952 1.181 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -9.085 -0.153 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.723 2.457 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.898 1.236 -3.089 1.00 0.00 H new ATOM 1567 N VAL A 98 -8.687 4.206 0.832 1.00 0.00 N ATOM 1568 CA VAL A 98 -7.777 5.380 1.035 1.00 0.00 C ATOM 1569 C VAL A 98 -6.787 5.143 2.179 1.00 0.00 C ATOM 1570 O VAL A 98 -5.756 5.797 2.243 1.00 0.00 O ATOM 1571 CB VAL A 98 -8.634 6.610 1.353 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.624 6.831 0.211 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.413 6.389 2.662 1.00 0.00 C ATOM 0 H VAL A 98 -9.424 4.110 1.531 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.199 5.530 0.123 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.988 7.480 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.239 7.704 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.077 6.993 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.263 5.954 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.018 7.269 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.062 5.519 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.711 6.222 3.479 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.097 4.245 3.089 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.175 4.000 4.244 1.00 0.00 C ATOM 1585 C HIS A 99 -6.052 2.508 4.536 1.00 0.00 C ATOM 1586 O HIS A 99 -6.848 1.710 4.079 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.715 4.720 5.480 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.217 6.139 5.483 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -6.910 7.166 6.103 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -5.092 6.715 4.945 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -6.202 8.296 5.925 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -5.085 8.078 5.226 1.00 0.00 N ATOM 0 H HIS A 99 -7.943 3.676 3.081 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.187 4.383 3.989 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.805 4.705 5.477 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.391 4.206 6.385 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.795 7.081 6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.329 6.190 4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.501 9.263 6.302 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.048 2.149 5.306 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.818 0.719 5.673 1.00 0.00 C ATOM 1602 C PHE A 100 -5.160 0.524 7.157 1.00 0.00 C ATOM 1603 O PHE A 100 -4.618 1.199 8.016 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.344 0.352 5.408 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.426 1.168 6.293 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.009 2.444 5.890 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.996 0.648 7.518 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -1.165 3.197 6.715 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.151 1.400 8.342 1.00 0.00 C ATOM 1610 CZ PHE A 100 -0.736 2.674 7.941 1.00 0.00 C ATOM 0 H PHE A 100 -4.369 2.801 5.700 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.453 0.070 5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.189 -0.711 5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.102 0.530 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.339 2.846 4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.317 -0.335 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.845 4.181 6.406 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.819 0.997 9.287 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.084 3.255 8.577 1.00 0.00 H new ATOM 1620 N ALA A 101 -6.058 -0.392 7.451 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.461 -0.656 8.868 1.00 0.00 C ATOM 1622 C ALA A 101 -5.434 -1.576 9.529 1.00 0.00 C ATOM 1623 O ALA A 101 -4.935 -1.284 10.604 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.829 -1.337 8.892 1.00 0.00 C ATOM 0 H ALA A 101 -6.532 -0.973 6.759 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.511 0.289 9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.122 -1.529 9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.567 -0.688 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.775 -2.280 8.349 1.00 0.00 H new ATOM 1630 N GLY A 102 -5.122 -2.686 8.889 1.00 0.00 N ATOM 1631 CA GLY A 102 -4.129 -3.651 9.464 1.00 0.00 C ATOM 1632 C GLY A 102 -3.686 -4.653 8.395 1.00 0.00 C ATOM 1633 O GLY A 102 -3.763 -4.380 7.208 1.00 0.00 O ATOM 0 H GLY A 102 -5.516 -2.963 7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.264 -3.109 9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.572 -4.180 10.308 1.00 0.00 H new ATOM 1637 N VAL A 103 -3.209 -5.804 8.822 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.733 -6.854 7.867 1.00 0.00 C ATOM 1639 C VAL A 103 -3.346 -8.213 8.234 1.00 0.00 C ATOM 1640 O VAL A 103 -3.617 -8.485 9.393 1.00 0.00 O ATOM 1641 CB VAL A 103 -1.201 -6.925 7.943 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.758 -7.325 9.357 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.676 -7.950 6.932 1.00 0.00 C ATOM 0 H VAL A 103 -3.130 -6.060 9.806 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.040 -6.602 6.852 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.793 -5.942 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.330 -7.372 9.398 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.116 -6.586 10.073 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.173 -8.302 9.606 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.411 -7.995 6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.093 -8.931 7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.973 -7.654 5.926 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.547 -9.062 7.247 1.00 0.00 N ATOM 1654 CA GLY A 104 -4.126 -10.422 7.497 1.00 0.00 C ATOM 1655 C GLY A 104 -5.559 -10.298 8.016 1.00 0.00 C ATOM 1656 O GLY A 104 -6.507 -10.432 7.260 1.00 0.00 O ATOM 0 H GLY A 104 -3.331 -8.865 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.114 -11.005 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.514 -10.958 8.222 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.715 -10.058 9.304 1.00 0.00 N ATOM 1661 CA ILE A 105 -7.081 -9.935 9.905 1.00 0.00 C ATOM 1662 C ILE A 105 -7.202 -8.605 10.664 1.00 0.00 C ATOM 1663 O ILE A 105 -6.207 -7.990 11.016 1.00 0.00 O ATOM 1664 CB ILE A 105 -7.315 -11.116 10.860 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -8.718 -11.023 11.474 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -6.267 -11.100 11.976 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -9.038 -12.321 12.219 1.00 0.00 C ATOM 0 H ILE A 105 -4.946 -9.942 9.964 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.833 -9.952 9.116 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.229 -12.046 10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.771 -10.176 12.158 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.457 -10.848 10.692 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.439 -11.940 12.649 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.271 -11.182 11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.344 -10.167 12.534 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.035 -12.254 12.655 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.002 -13.159 11.522 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.305 -12.476 13.011 1.00 0.00 H new