USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 HIS :FLIP no HD1:sc= 0.00173 X(o=-0.078,f=0.0024) USER MOD Set 1.2: A 110 HIS :FLIP no HD1:sc=0.000654 X(o=-0.064,f=0.0024) USER MOD Set 2.1: A 93 ASN : amide:sc= 0.635 K(o=0.64,f=0) USER MOD Set 2.2: A 95 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Set 3.1: A 76 SER OG : rot 180:sc= -0.54 USER MOD Set 3.2: A 83 CYS SG : rot 180:sc= 0 USER MOD Set 4.1: A 56 ASN : amide:sc= -2.6! C(o=-2.6!,f=-5.3!) USER MOD Set 4.2: A 100 GLN : amide:sc= 0 X(o=-2.6,f=-2.6) USER MOD Set 5.1: A 48 ASN : amide:sc= 0 X(o=-4,f=-4) USER MOD Set 5.2: A 52 ASN : amide:sc= -3.98! C(o=-4!,f=-5.2!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.684 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= -0.124 (180deg=-0.649) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 131:sc= -0.262 (180deg=-1.04!) USER MOD Single : A 45 ASN : amide:sc= -5.97! C(o=-6!,f=-6.3!) USER MOD Single : A 46 MET CE :methyl -128:sc= -0.301 (180deg=-2.37!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.12) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0354) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -12:sc= -0.602 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc=-0.000706 X(o=-0.00071,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00595) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -52:sc= 0.0387 USER MOD Single : A 80 ASN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 88 THR OG1 : rot 12:sc= -0.0925 USER MOD Single : A 92 MET CE :methyl 171:sc= -2.74 (180deg=-2.79) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.0865! F(o=-1.2,f=0.086!) USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0385) USER MOD Single : A 107 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -9.746 -13.521 -6.478 1.00 0.00 N ATOM 16 CA SER A 27 -8.540 -13.591 -7.301 1.00 0.00 C ATOM 17 C SER A 27 -7.900 -12.215 -7.458 1.00 0.00 C ATOM 18 O SER A 27 -6.744 -12.013 -7.086 1.00 0.00 O ATOM 19 CB SER A 27 -8.855 -14.193 -8.677 1.00 0.00 C ATOM 20 OG SER A 27 -9.168 -13.185 -9.624 1.00 0.00 O ATOM 0 HA SER A 27 -7.828 -14.241 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.000 -14.770 -9.028 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.693 -14.885 -8.590 1.00 0.00 H new ATOM 0 HG SER A 27 -9.362 -13.599 -10.491 1.00 0.00 H new ATOM 25 N LYS A 28 -8.654 -11.271 -8.012 1.00 0.00 N ATOM 26 CA LYS A 28 -8.152 -9.918 -8.216 1.00 0.00 C ATOM 27 C LYS A 28 -8.919 -8.913 -7.363 1.00 0.00 C ATOM 28 O LYS A 28 -10.147 -8.848 -7.415 1.00 0.00 O ATOM 29 CB LYS A 28 -8.247 -9.533 -9.695 1.00 0.00 C ATOM 30 CG LYS A 28 -6.940 -9.016 -10.273 1.00 0.00 C ATOM 31 CD LYS A 28 -6.222 -10.088 -11.079 1.00 0.00 C ATOM 32 CE LYS A 28 -4.738 -10.135 -10.749 1.00 0.00 C ATOM 33 NZ LYS A 28 -3.903 -10.310 -11.970 1.00 0.00 N ATOM 0 H LYS A 28 -9.613 -11.418 -8.327 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.106 -9.897 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.570 -10.402 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.015 -8.769 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.139 -8.153 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.294 -8.674 -9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.672 -11.060 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.353 -9.893 -12.143 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.450 -9.215 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.546 -10.955 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.898 -10.337 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.160 -11.201 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.067 -9.515 -12.620 1.00 0.00 H new ATOM 47 N GLN A 29 -8.185 -8.129 -6.581 1.00 0.00 N ATOM 48 CA GLN A 29 -8.791 -7.122 -5.717 1.00 0.00 C ATOM 49 C GLN A 29 -8.048 -5.799 -5.829 1.00 0.00 C ATOM 50 O GLN A 29 -6.827 -5.770 -5.976 1.00 0.00 O ATOM 51 CB GLN A 29 -8.801 -7.598 -4.264 1.00 0.00 C ATOM 52 CG GLN A 29 -9.386 -8.989 -4.082 1.00 0.00 C ATOM 53 CD GLN A 29 -10.268 -9.094 -2.854 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.494 -9.060 -2.950 1.00 0.00 O ATOM 55 NE2 GLN A 29 -9.645 -9.224 -1.687 1.00 0.00 N ATOM 0 H GLN A 29 -7.167 -8.172 -6.528 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.820 -6.970 -6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.781 -7.589 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.373 -6.891 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.967 -9.253 -4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.575 -9.713 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.626 -9.248 -1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.186 -9.300 -0.826 1.00 0.00 H new ATOM 64 N GLU A 30 -8.796 -4.705 -5.770 1.00 0.00 N ATOM 65 CA GLU A 30 -8.210 -3.378 -5.877 1.00 0.00 C ATOM 66 C GLU A 30 -8.789 -2.432 -4.828 1.00 0.00 C ATOM 67 O GLU A 30 -9.996 -2.420 -4.586 1.00 0.00 O ATOM 68 CB GLU A 30 -8.441 -2.826 -7.285 1.00 0.00 C ATOM 69 CG GLU A 30 -9.871 -2.392 -7.545 1.00 0.00 C ATOM 70 CD GLU A 30 -10.002 -0.890 -7.711 1.00 0.00 C ATOM 71 OE1 GLU A 30 -9.492 -0.354 -8.721 1.00 0.00 O ATOM 72 OE2 GLU A 30 -10.620 -0.243 -6.838 1.00 0.00 O ATOM 0 H GLU A 30 -9.809 -4.712 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.138 -3.456 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.778 -1.976 -7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.164 -3.588 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.240 -2.887 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.502 -2.719 -6.719 1.00 0.00 H new ATOM 79 N LEU A 31 -7.919 -1.641 -4.208 1.00 0.00 N ATOM 80 CA LEU A 31 -8.343 -0.691 -3.185 1.00 0.00 C ATOM 81 C LEU A 31 -8.333 0.727 -3.730 1.00 0.00 C ATOM 82 O LEU A 31 -7.378 1.150 -4.384 1.00 0.00 O ATOM 83 CB LEU A 31 -7.429 -0.785 -1.962 1.00 0.00 C ATOM 84 CG LEU A 31 -7.523 -2.098 -1.181 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.143 -2.551 -0.727 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.454 -1.943 0.012 1.00 0.00 C ATOM 0 H LEU A 31 -6.916 -1.639 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.361 -0.942 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.398 -0.646 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.664 0.039 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.934 -2.862 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.231 -3.486 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.505 -2.703 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.703 -1.789 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.509 -2.886 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.072 -1.165 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.449 -1.667 -0.337 1.00 0.00 H new ATOM 98 N ILE A 32 -9.406 1.468 -3.465 1.00 0.00 N ATOM 99 CA ILE A 32 -9.522 2.845 -3.934 1.00 0.00 C ATOM 100 C ILE A 32 -8.922 3.822 -2.929 1.00 0.00 C ATOM 101 O ILE A 32 -9.489 4.056 -1.860 1.00 0.00 O ATOM 102 CB ILE A 32 -10.990 3.229 -4.190 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.681 2.156 -5.033 1.00 0.00 C ATOM 104 CG2 ILE A 32 -11.068 4.586 -4.874 1.00 0.00 C ATOM 105 CD1 ILE A 32 -13.193 2.249 -5.006 1.00 0.00 C ATOM 0 H ILE A 32 -10.207 1.137 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.969 2.906 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.507 3.297 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.338 2.238 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.379 1.172 -4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.112 4.846 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.608 5.342 -4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.540 4.544 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.617 1.458 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.546 2.137 -3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.505 3.219 -5.393 1.00 0.00 H new ATOM 117 N LEU A 33 -7.770 4.386 -3.276 1.00 0.00 N ATOM 118 CA LEU A 33 -7.095 5.344 -2.409 1.00 0.00 C ATOM 119 C LEU A 33 -6.925 6.685 -3.112 1.00 0.00 C ATOM 120 O LEU A 33 -6.599 6.735 -4.295 1.00 0.00 O ATOM 121 CB LEU A 33 -5.733 4.802 -1.973 1.00 0.00 C ATOM 122 CG LEU A 33 -5.782 3.518 -1.152 1.00 0.00 C ATOM 123 CD1 LEU A 33 -5.769 2.302 -2.063 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.618 3.468 -0.174 1.00 0.00 C ATOM 0 H LEU A 33 -7.284 4.196 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.714 5.495 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.128 4.624 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.224 5.569 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.711 3.508 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.804 1.395 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.636 2.333 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.857 2.305 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.668 2.545 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.678 3.501 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.673 4.322 0.501 1.00 0.00 H new ATOM 136 N VAL A 34 -7.148 7.765 -2.374 1.00 0.00 N ATOM 137 CA VAL A 34 -7.025 9.108 -2.924 1.00 0.00 C ATOM 138 C VAL A 34 -5.714 9.765 -2.479 1.00 0.00 C ATOM 139 O VAL A 34 -4.667 9.119 -2.485 1.00 0.00 O ATOM 140 CB VAL A 34 -8.233 9.988 -2.531 1.00 0.00 C ATOM 141 CG1 VAL A 34 -8.382 11.146 -3.507 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.509 9.158 -2.475 1.00 0.00 C ATOM 0 H VAL A 34 -7.416 7.736 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.012 9.018 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.055 10.397 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.237 11.758 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.478 11.755 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.538 10.756 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.347 9.797 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.699 8.716 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.395 8.366 -1.735 1.00 0.00 H new ATOM 152 N LEU A 35 -5.761 11.040 -2.104 1.00 0.00 N ATOM 153 CA LEU A 35 -4.570 11.747 -1.684 1.00 0.00 C ATOM 154 C LEU A 35 -4.870 12.655 -0.497 1.00 0.00 C ATOM 155 O LEU A 35 -5.837 13.414 -0.518 1.00 0.00 O ATOM 156 CB LEU A 35 -4.023 12.568 -2.855 1.00 0.00 C ATOM 157 CG LEU A 35 -2.502 12.729 -2.874 1.00 0.00 C ATOM 158 CD1 LEU A 35 -1.995 13.076 -1.493 1.00 0.00 C ATOM 159 CD2 LEU A 35 -1.838 11.461 -3.386 1.00 0.00 C ATOM 0 H LEU A 35 -6.614 11.599 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.821 11.019 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.336 12.097 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.478 13.558 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.247 13.544 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.911 13.188 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.448 14.011 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.260 12.280 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.756 11.594 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.097 10.626 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.184 11.252 -4.398 1.00 0.00 H new ATOM 171 N LYS A 36 -4.037 12.576 0.531 1.00 0.00 N ATOM 172 CA LYS A 36 -4.213 13.388 1.721 1.00 0.00 C ATOM 173 C LYS A 36 -3.813 14.840 1.448 1.00 0.00 C ATOM 174 O LYS A 36 -4.650 15.737 1.466 1.00 0.00 O ATOM 175 CB LYS A 36 -3.387 12.830 2.871 1.00 0.00 C ATOM 176 CG LYS A 36 -3.844 13.308 4.246 1.00 0.00 C ATOM 177 CD LYS A 36 -3.417 14.745 4.509 1.00 0.00 C ATOM 178 CE LYS A 36 -2.683 14.880 5.824 1.00 0.00 C ATOM 179 NZ LYS A 36 -1.475 14.007 5.878 1.00 0.00 N ATOM 0 H LYS A 36 -3.229 11.954 0.562 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.267 13.362 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.430 11.741 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.344 13.112 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.929 13.231 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.428 12.657 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.775 15.088 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.296 15.390 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.387 15.919 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.354 14.622 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.755 14.448 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.735 13.078 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.091 13.885 4.919 1.00 0.00 H new ATOM 193 N GLY A 37 -2.527 15.048 1.191 1.00 0.00 N ATOM 194 CA GLY A 37 -2.036 16.388 0.920 1.00 0.00 C ATOM 195 C GLY A 37 -0.545 16.517 1.163 1.00 0.00 C ATOM 196 O GLY A 37 0.233 15.648 0.765 1.00 0.00 O ATOM 0 H GLY A 37 -1.817 14.316 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.257 16.651 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.567 17.101 1.550 1.00 0.00 H new ATOM 200 N GLU A 38 -0.143 17.599 1.818 1.00 0.00 N ATOM 201 CA GLU A 38 1.262 17.845 2.109 1.00 0.00 C ATOM 202 C GLU A 38 2.065 18.013 0.826 1.00 0.00 C ATOM 203 O GLU A 38 1.960 17.201 -0.093 1.00 0.00 O ATOM 204 CB GLU A 38 1.833 16.696 2.942 1.00 0.00 C ATOM 205 CG GLU A 38 2.678 17.151 4.112 1.00 0.00 C ATOM 206 CD GLU A 38 2.821 16.091 5.184 1.00 0.00 C ATOM 207 OE1 GLU A 38 3.529 15.089 4.944 1.00 0.00 O ATOM 208 OE2 GLU A 38 2.227 16.258 6.271 1.00 0.00 O ATOM 0 H GLU A 38 -0.775 18.323 2.159 1.00 0.00 H new ATOM 0 HA GLU A 38 1.336 18.771 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.010 16.086 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.436 16.057 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.668 17.432 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.233 18.045 4.549 1.00 0.00 H new ATOM 215 N LEU A 39 2.862 19.073 0.768 1.00 0.00 N ATOM 216 CA LEU A 39 3.684 19.346 -0.408 1.00 0.00 C ATOM 217 C LEU A 39 5.133 18.919 -0.174 1.00 0.00 C ATOM 218 O LEU A 39 6.059 19.602 -0.589 1.00 0.00 O ATOM 219 CB LEU A 39 3.622 20.836 -0.749 1.00 0.00 C ATOM 220 CG LEU A 39 3.375 21.145 -2.234 1.00 0.00 C ATOM 221 CD1 LEU A 39 4.494 20.588 -3.091 1.00 0.00 C ATOM 222 CD2 LEU A 39 2.028 20.580 -2.669 1.00 0.00 C ATOM 0 H LEU A 39 2.958 19.757 1.519 1.00 0.00 H new ATOM 0 HA LEU A 39 3.292 18.768 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.830 21.297 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.559 21.304 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 39 3.357 22.227 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.299 20.818 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.440 21.038 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.548 19.507 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.863 20.804 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.022 19.500 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.235 21.031 -2.073 1.00 0.00 H new ATOM 283 N SER A 43 6.415 11.460 -3.796 1.00 0.00 N ATOM 284 CA SER A 43 5.219 10.637 -3.618 1.00 0.00 C ATOM 285 C SER A 43 5.248 9.934 -2.266 1.00 0.00 C ATOM 286 O SER A 43 6.014 8.993 -2.060 1.00 0.00 O ATOM 287 CB SER A 43 5.115 9.601 -4.738 1.00 0.00 C ATOM 288 OG SER A 43 4.340 10.093 -5.813 1.00 0.00 O ATOM 0 HA SER A 43 4.347 11.290 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.113 9.342 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.667 8.686 -4.351 1.00 0.00 H new ATOM 0 HG SER A 43 4.289 9.414 -6.518 1.00 0.00 H new ATOM 294 N LYS A 44 4.401 10.391 -1.343 1.00 0.00 N ATOM 295 CA LYS A 44 4.333 9.811 -0.018 1.00 0.00 C ATOM 296 C LYS A 44 3.362 8.630 0.008 1.00 0.00 C ATOM 297 O LYS A 44 3.507 7.715 0.818 1.00 0.00 O ATOM 298 CB LYS A 44 3.898 10.857 1.003 1.00 0.00 C ATOM 299 CG LYS A 44 4.238 10.492 2.436 1.00 0.00 C ATOM 300 CD LYS A 44 5.606 11.018 2.837 1.00 0.00 C ATOM 301 CE LYS A 44 5.500 12.356 3.552 1.00 0.00 C ATOM 302 NZ LYS A 44 4.597 12.275 4.734 1.00 0.00 N ATOM 0 H LYS A 44 3.754 11.164 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 44 5.329 9.453 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.370 11.808 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.821 11.005 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.480 10.899 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.216 9.408 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.099 10.295 3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.230 11.127 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.491 12.678 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.127 13.111 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.068 12.696 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.718 12.794 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.374 11.279 4.933 1.00 0.00 H new ATOM 316 N ASN A 45 2.377 8.656 -0.880 1.00 0.00 N ATOM 317 CA ASN A 45 1.386 7.592 -0.962 1.00 0.00 C ATOM 318 C ASN A 45 2.053 6.240 -1.190 1.00 0.00 C ATOM 319 O ASN A 45 1.768 5.269 -0.486 1.00 0.00 O ATOM 320 CB ASN A 45 0.388 7.878 -2.086 1.00 0.00 C ATOM 321 CG ASN A 45 -0.582 8.981 -1.726 1.00 0.00 C ATOM 322 OD1 ASN A 45 -0.199 10.146 -1.615 1.00 0.00 O ATOM 323 ND2 ASN A 45 -1.849 8.625 -1.547 1.00 0.00 N ATOM 0 H ASN A 45 2.243 9.407 -1.557 1.00 0.00 H new ATOM 0 HA ASN A 45 0.852 7.557 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.931 8.156 -2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.168 6.969 -2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.548 9.329 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.123 7.648 -1.649 1.00 0.00 H new ATOM 330 N MET A 46 2.943 6.181 -2.177 1.00 0.00 N ATOM 331 CA MET A 46 3.646 4.945 -2.495 1.00 0.00 C ATOM 332 C MET A 46 4.281 4.344 -1.246 1.00 0.00 C ATOM 333 O MET A 46 4.162 3.149 -0.988 1.00 0.00 O ATOM 334 CB MET A 46 4.725 5.206 -3.556 1.00 0.00 C ATOM 335 CG MET A 46 5.594 6.409 -3.249 1.00 0.00 C ATOM 336 SD MET A 46 7.229 5.947 -2.640 1.00 0.00 S ATOM 337 CE MET A 46 8.200 7.348 -3.184 1.00 0.00 C ATOM 0 H MET A 46 3.193 6.974 -2.768 1.00 0.00 H new ATOM 0 HA MET A 46 2.920 4.234 -2.890 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.358 4.323 -3.644 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.245 5.352 -4.524 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.703 7.013 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.096 7.032 -2.506 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.069 6.995 -3.740 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.592 7.984 -3.827 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.532 7.919 -2.317 1.00 0.00 H new ATOM 347 N LYS A 47 4.955 5.186 -0.470 1.00 0.00 N ATOM 348 CA LYS A 47 5.604 4.740 0.756 1.00 0.00 C ATOM 349 C LYS A 47 4.573 4.196 1.734 1.00 0.00 C ATOM 350 O LYS A 47 4.871 3.333 2.561 1.00 0.00 O ATOM 351 CB LYS A 47 6.377 5.893 1.400 1.00 0.00 C ATOM 352 CG LYS A 47 7.396 5.440 2.430 1.00 0.00 C ATOM 353 CD LYS A 47 7.934 6.612 3.236 1.00 0.00 C ATOM 354 CE LYS A 47 9.432 6.495 3.463 1.00 0.00 C ATOM 355 NZ LYS A 47 10.209 7.142 2.372 1.00 0.00 N ATOM 0 H LYS A 47 5.066 6.180 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 47 6.305 3.944 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.887 6.458 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.670 6.573 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.937 4.715 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.221 4.933 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.716 7.544 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.422 6.658 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.692 6.955 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.708 5.443 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.226 7.041 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.980 6.686 1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.965 8.152 2.323 1.00 0.00 H new ATOM 369 N ASN A 48 3.348 4.703 1.633 1.00 0.00 N ATOM 370 CA ASN A 48 2.265 4.267 2.505 1.00 0.00 C ATOM 371 C ASN A 48 1.935 2.799 2.261 1.00 0.00 C ATOM 372 O ASN A 48 1.689 2.043 3.202 1.00 0.00 O ATOM 373 CB ASN A 48 1.021 5.127 2.280 1.00 0.00 C ATOM 374 CG ASN A 48 0.226 5.338 3.554 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.610 4.512 3.921 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.482 6.448 4.236 1.00 0.00 N ATOM 0 H ASN A 48 3.081 5.417 0.955 1.00 0.00 H new ATOM 0 HA ASN A 48 2.592 4.383 3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.320 6.095 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.385 4.653 1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.023 6.643 5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.183 7.106 3.895 1.00 0.00 H new ATOM 383 N VAL A 49 1.932 2.400 0.993 1.00 0.00 N ATOM 384 CA VAL A 49 1.635 1.020 0.631 1.00 0.00 C ATOM 385 C VAL A 49 2.776 0.091 1.029 1.00 0.00 C ATOM 386 O VAL A 49 2.549 -1.055 1.410 1.00 0.00 O ATOM 387 CB VAL A 49 1.376 0.871 -0.879 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.903 -0.540 -1.202 1.00 0.00 C ATOM 389 CG2 VAL A 49 0.367 1.906 -1.352 1.00 0.00 C ATOM 0 H VAL A 49 2.131 3.012 0.201 1.00 0.00 H new ATOM 0 HA VAL A 49 0.732 0.743 1.174 1.00 0.00 H new ATOM 0 HB VAL A 49 2.312 1.044 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.725 -0.628 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.667 -1.257 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.021 -0.746 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.196 1.785 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.573 1.769 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.753 2.906 -1.157 1.00 0.00 H new ATOM 399 N ILE A 50 4.002 0.593 0.938 1.00 0.00 N ATOM 400 CA ILE A 50 5.170 -0.198 1.292 1.00 0.00 C ATOM 401 C ILE A 50 5.121 -0.617 2.757 1.00 0.00 C ATOM 402 O ILE A 50 5.467 -1.747 3.102 1.00 0.00 O ATOM 403 CB ILE A 50 6.479 0.576 1.028 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.535 1.046 -0.425 1.00 0.00 C ATOM 405 CG2 ILE A 50 7.687 -0.291 1.355 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.550 2.138 -0.667 1.00 0.00 C ATOM 0 H ILE A 50 4.211 1.541 0.623 1.00 0.00 H new ATOM 0 HA ILE A 50 5.155 -1.087 0.661 1.00 0.00 H new ATOM 0 HB ILE A 50 6.500 1.452 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.769 0.195 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.549 1.405 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.601 0.271 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.653 -0.581 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.673 -1.185 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.535 2.422 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.305 3.005 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.544 1.776 -0.403 1.00 0.00 H new ATOM 418 N ASN A 51 4.686 0.300 3.616 1.00 0.00 N ATOM 419 CA ASN A 51 4.588 0.026 5.045 1.00 0.00 C ATOM 420 C ASN A 51 3.410 -0.896 5.347 1.00 0.00 C ATOM 421 O ASN A 51 3.537 -1.850 6.115 1.00 0.00 O ATOM 422 CB ASN A 51 4.442 1.331 5.827 1.00 0.00 C ATOM 423 CG ASN A 51 5.556 2.311 5.530 1.00 0.00 C ATOM 424 OD1 ASN A 51 6.724 1.937 5.483 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.200 3.574 5.329 1.00 0.00 N ATOM 0 H ASN A 51 4.396 1.240 3.347 1.00 0.00 H new ATOM 0 HA ASN A 51 5.505 -0.475 5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.484 1.791 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.430 1.112 6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.910 4.278 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.217 3.841 5.378 1.00 0.00 H new ATOM 432 N ASN A 52 2.264 -0.604 4.740 1.00 0.00 N ATOM 433 CA ASN A 52 1.064 -1.406 4.946 1.00 0.00 C ATOM 434 C ASN A 52 1.191 -2.764 4.262 1.00 0.00 C ATOM 435 O ASN A 52 1.060 -3.808 4.903 1.00 0.00 O ATOM 436 CB ASN A 52 -0.166 -0.667 4.415 1.00 0.00 C ATOM 437 CG ASN A 52 -0.343 0.695 5.057 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.493 1.704 4.368 1.00 0.00 O ATOM 439 ND2 ASN A 52 -0.327 0.731 6.384 1.00 0.00 N ATOM 0 H ASN A 52 2.141 0.182 4.102 1.00 0.00 H new ATOM 0 HA ASN A 52 0.947 -1.570 6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.077 -0.548 3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.056 -1.270 4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.442 1.620 6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.200 -0.130 6.916 1.00 0.00 H new ATOM 446 N ALA A 53 1.444 -2.743 2.958 1.00 0.00 N ATOM 447 CA ALA A 53 1.589 -3.972 2.185 1.00 0.00 C ATOM 448 C ALA A 53 2.614 -4.908 2.819 1.00 0.00 C ATOM 449 O ALA A 53 2.521 -6.127 2.685 1.00 0.00 O ATOM 450 CB ALA A 53 1.983 -3.650 0.751 1.00 0.00 C ATOM 0 H ALA A 53 1.553 -1.888 2.413 1.00 0.00 H new ATOM 0 HA ALA A 53 0.626 -4.482 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.088 -4.576 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.213 -3.030 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.931 -3.113 0.746 1.00 0.00 H new ATOM 456 N LYS A 54 3.589 -4.329 3.514 1.00 0.00 N ATOM 457 CA LYS A 54 4.626 -5.117 4.171 1.00 0.00 C ATOM 458 C LYS A 54 4.111 -5.699 5.483 1.00 0.00 C ATOM 459 O LYS A 54 4.397 -6.848 5.818 1.00 0.00 O ATOM 460 CB LYS A 54 5.865 -4.258 4.432 1.00 0.00 C ATOM 461 CG LYS A 54 6.782 -4.141 3.232 1.00 0.00 C ATOM 462 CD LYS A 54 7.840 -5.233 3.231 1.00 0.00 C ATOM 463 CE LYS A 54 8.750 -5.128 4.445 1.00 0.00 C ATOM 464 NZ LYS A 54 10.106 -5.686 4.173 1.00 0.00 N ATOM 0 H LYS A 54 3.682 -3.321 3.636 1.00 0.00 H new ATOM 0 HA LYS A 54 4.899 -5.939 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.548 -3.260 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.423 -4.683 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.194 -4.202 2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.266 -3.164 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.356 -6.210 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.436 -5.163 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.840 -4.083 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.300 -5.660 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.696 -5.596 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.023 -6.690 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.546 -5.162 3.390 1.00 0.00 H new ATOM 478 N LYS A 55 3.348 -4.898 6.219 1.00 0.00 N ATOM 479 CA LYS A 55 2.789 -5.334 7.492 1.00 0.00 C ATOM 480 C LYS A 55 1.880 -6.543 7.294 1.00 0.00 C ATOM 481 O LYS A 55 1.910 -7.490 8.080 1.00 0.00 O ATOM 482 CB LYS A 55 2.012 -4.191 8.151 1.00 0.00 C ATOM 483 CG LYS A 55 2.538 -3.811 9.527 1.00 0.00 C ATOM 484 CD LYS A 55 3.763 -2.915 9.427 1.00 0.00 C ATOM 485 CE LYS A 55 3.995 -2.147 10.718 1.00 0.00 C ATOM 486 NZ LYS A 55 4.183 -3.059 11.881 1.00 0.00 N ATOM 0 H LYS A 55 3.103 -3.944 5.955 1.00 0.00 H new ATOM 0 HA LYS A 55 3.611 -5.623 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.050 -3.316 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.964 -4.478 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.756 -3.299 10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.790 -4.714 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.641 -3.520 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.636 -2.214 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.874 -1.511 10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.147 -1.489 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.455 -2.504 12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.294 -3.563 12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.931 -3.748 11.664 1.00 0.00 H new ATOM 500 N ASN A 56 1.074 -6.502 6.238 1.00 0.00 N ATOM 501 CA ASN A 56 0.158 -7.595 5.933 1.00 0.00 C ATOM 502 C ASN A 56 0.925 -8.830 5.477 1.00 0.00 C ATOM 503 O ASN A 56 0.691 -9.937 5.964 1.00 0.00 O ATOM 504 CB ASN A 56 -0.836 -7.167 4.851 1.00 0.00 C ATOM 505 CG ASN A 56 -1.466 -5.821 5.146 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.769 -5.501 6.296 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.669 -5.021 4.105 1.00 0.00 N ATOM 0 H ASN A 56 1.037 -5.724 5.579 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.391 -7.844 6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.325 -7.123 3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.619 -7.920 4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.091 -4.102 4.242 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.403 -5.325 3.168 1.00 0.00 H new ATOM 514 N LEU A 57 1.848 -8.632 4.541 1.00 0.00 N ATOM 515 CA LEU A 57 2.657 -9.728 4.017 1.00 0.00 C ATOM 516 C LEU A 57 3.316 -10.507 5.152 1.00 0.00 C ATOM 517 O LEU A 57 3.123 -11.718 5.287 1.00 0.00 O ATOM 518 CB LEU A 57 3.725 -9.185 3.061 1.00 0.00 C ATOM 519 CG LEU A 57 3.631 -9.700 1.625 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.490 -11.210 1.619 1.00 0.00 C ATOM 521 CD2 LEU A 57 2.463 -9.046 0.901 1.00 0.00 C ATOM 0 H LEU A 57 2.055 -7.722 4.129 1.00 0.00 H new ATOM 0 HA LEU A 57 2.002 -10.406 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.658 -8.097 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.708 -9.438 3.458 1.00 0.00 H new ATOM 0 HG LEU A 57 4.548 -9.437 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.424 -11.565 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.358 -11.658 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.587 -11.493 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.410 -9.424 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.535 -9.280 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.606 -7.966 0.881 1.00 0.00 H new ATOM 533 N GLU A 58 4.092 -9.804 5.968 1.00 0.00 N ATOM 534 CA GLU A 58 4.776 -10.427 7.092 1.00 0.00 C ATOM 535 C GLU A 58 3.772 -11.017 8.077 1.00 0.00 C ATOM 536 O GLU A 58 4.069 -11.990 8.769 1.00 0.00 O ATOM 537 CB GLU A 58 5.676 -9.413 7.800 1.00 0.00 C ATOM 538 CG GLU A 58 4.914 -8.272 8.456 1.00 0.00 C ATOM 539 CD GLU A 58 5.341 -8.034 9.891 1.00 0.00 C ATOM 540 OE1 GLU A 58 5.255 -8.980 10.702 1.00 0.00 O ATOM 541 OE2 GLU A 58 5.763 -6.900 10.204 1.00 0.00 O ATOM 0 H GLU A 58 4.263 -8.803 5.872 1.00 0.00 H new ATOM 0 HA GLU A 58 5.396 -11.236 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.263 -9.930 8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.381 -9.000 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.066 -7.360 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.847 -8.491 8.430 1.00 0.00 H new ATOM 548 N LYS A 59 2.579 -10.428 8.131 1.00 0.00 N ATOM 549 CA LYS A 59 1.535 -10.909 9.029 1.00 0.00 C ATOM 550 C LYS A 59 1.231 -12.375 8.750 1.00 0.00 C ATOM 551 O LYS A 59 0.989 -13.157 9.668 1.00 0.00 O ATOM 552 CB LYS A 59 0.263 -10.073 8.875 1.00 0.00 C ATOM 553 CG LYS A 59 -0.759 -10.313 9.977 1.00 0.00 C ATOM 554 CD LYS A 59 -0.927 -9.087 10.861 1.00 0.00 C ATOM 555 CE LYS A 59 0.217 -8.954 11.853 1.00 0.00 C ATOM 556 NZ LYS A 59 -0.154 -9.467 13.201 1.00 0.00 N ATOM 0 H LYS A 59 2.314 -9.621 7.566 1.00 0.00 H new ATOM 0 HA LYS A 59 1.894 -10.811 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.531 -9.017 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.195 -10.296 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.719 -10.576 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.446 -11.161 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.977 -8.193 10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.872 -9.153 11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.084 -9.501 11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.510 -7.907 11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.653 -9.358 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.965 -8.929 13.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.409 -10.473 13.132 1.00 0.00 H new ATOM 570 N TYR A 60 1.260 -12.743 7.473 1.00 0.00 N ATOM 571 CA TYR A 60 1.001 -14.120 7.071 1.00 0.00 C ATOM 572 C TYR A 60 2.219 -14.992 7.353 1.00 0.00 C ATOM 573 O TYR A 60 2.095 -16.113 7.844 1.00 0.00 O ATOM 574 CB TYR A 60 0.649 -14.188 5.586 1.00 0.00 C ATOM 575 CG TYR A 60 -0.348 -13.139 5.149 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.686 -13.231 5.508 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.052 -12.059 4.373 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.599 -12.276 5.105 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.855 -11.098 3.967 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.178 -11.211 4.336 1.00 0.00 C ATOM 581 OH TYR A 60 -3.086 -10.258 3.933 1.00 0.00 O ATOM 0 H TYR A 60 1.460 -12.108 6.700 1.00 0.00 H new ATOM 0 HA TYR A 60 0.156 -14.492 7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.561 -14.076 5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.246 -15.176 5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.018 -14.062 6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.088 -11.968 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.637 -12.363 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.529 -10.263 3.364 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.996 -10.579 4.106 1.00 0.00 H new ATOM 591 N PHE A 61 3.397 -14.465 7.038 1.00 0.00 N ATOM 592 CA PHE A 61 4.644 -15.192 7.258 1.00 0.00 C ATOM 593 C PHE A 61 4.884 -15.426 8.748 1.00 0.00 C ATOM 594 O PHE A 61 5.540 -16.391 9.136 1.00 0.00 O ATOM 595 CB PHE A 61 5.826 -14.425 6.658 1.00 0.00 C ATOM 596 CG PHE A 61 7.050 -15.273 6.457 1.00 0.00 C ATOM 597 CD1 PHE A 61 7.787 -15.717 7.544 1.00 0.00 C ATOM 598 CD2 PHE A 61 7.465 -15.626 5.182 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.913 -16.497 7.363 1.00 0.00 C ATOM 600 CE2 PHE A 61 8.591 -16.406 4.996 1.00 0.00 C ATOM 601 CZ PHE A 61 9.316 -16.841 6.088 1.00 0.00 C ATOM 0 H PHE A 61 3.516 -13.538 6.630 1.00 0.00 H new ATOM 0 HA PHE A 61 4.558 -16.159 6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.525 -14.002 5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.076 -13.589 7.311 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.477 -15.450 8.544 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.902 -15.288 4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.478 -16.837 8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.903 -16.675 3.998 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.197 -17.449 5.945 1.00 0.00 H new ATOM 611 N LYS A 62 4.358 -14.532 9.577 1.00 0.00 N ATOM 612 CA LYS A 62 4.524 -14.640 11.022 1.00 0.00 C ATOM 613 C LYS A 62 3.434 -15.502 11.653 1.00 0.00 C ATOM 614 O LYS A 62 3.618 -16.048 12.741 1.00 0.00 O ATOM 615 CB LYS A 62 4.513 -13.249 11.658 1.00 0.00 C ATOM 616 CG LYS A 62 5.851 -12.532 11.579 1.00 0.00 C ATOM 617 CD LYS A 62 6.589 -12.579 12.907 1.00 0.00 C ATOM 618 CE LYS A 62 7.683 -11.525 12.974 1.00 0.00 C ATOM 619 NZ LYS A 62 7.281 -10.360 13.808 1.00 0.00 N ATOM 0 H LYS A 62 3.813 -13.725 9.274 1.00 0.00 H new ATOM 0 HA LYS A 62 5.484 -15.121 11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.755 -12.640 11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.220 -13.339 12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.465 -12.991 10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.692 -11.494 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.883 -12.424 13.723 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.026 -13.568 13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.590 -11.969 13.384 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.922 -11.185 11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.054 -9.664 13.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.430 -9.920 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.078 -10.680 14.776 1.00 0.00 H new ATOM 633 N GLU A 63 2.292 -15.607 10.980 1.00 0.00 N ATOM 634 CA GLU A 63 1.174 -16.389 11.501 1.00 0.00 C ATOM 635 C GLU A 63 1.122 -17.792 10.900 1.00 0.00 C ATOM 636 O GLU A 63 0.845 -18.762 11.605 1.00 0.00 O ATOM 637 CB GLU A 63 -0.147 -15.665 11.232 1.00 0.00 C ATOM 638 CG GLU A 63 -1.123 -15.729 12.395 1.00 0.00 C ATOM 639 CD GLU A 63 -1.043 -14.508 13.290 1.00 0.00 C ATOM 640 OE1 GLU A 63 0.084 -14.112 13.654 1.00 0.00 O ATOM 641 OE2 GLU A 63 -2.109 -13.949 13.627 1.00 0.00 O ATOM 0 H GLU A 63 2.116 -15.164 10.078 1.00 0.00 H new ATOM 0 HA GLU A 63 1.327 -16.493 12.575 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.061 -14.620 11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.617 -16.100 10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.138 -15.826 12.008 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.920 -16.622 12.986 1.00 0.00 H new ATOM 648 N HIS A 64 1.371 -17.898 9.598 1.00 0.00 N ATOM 649 CA HIS A 64 1.324 -19.194 8.926 1.00 0.00 C ATOM 650 C HIS A 64 2.711 -19.688 8.527 1.00 0.00 C ATOM 651 O HIS A 64 2.839 -20.678 7.807 1.00 0.00 O ATOM 652 CB HIS A 64 0.424 -19.120 7.692 1.00 0.00 C ATOM 653 CG HIS A 64 -1.018 -18.880 8.020 1.00 0.00 C ATOM 654 ND1 HIS A 64 -1.825 -18.031 7.291 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.799 -19.386 9.004 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.039 -18.024 7.816 1.00 0.00 C ATOM 657 NE2 HIS A 64 -3.048 -18.836 8.855 1.00 0.00 N ATOM 0 H HIS A 64 1.605 -17.112 8.992 1.00 0.00 H new ATOM 0 HA HIS A 64 0.911 -19.909 9.637 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.778 -18.321 7.041 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.511 -20.051 7.132 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.496 -20.091 9.764 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.880 -17.451 7.455 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.853 -19.025 9.452 1.00 0.00 H new ATOM 666 N PHE A 65 3.745 -19.002 9.005 1.00 0.00 N ATOM 667 CA PHE A 65 5.129 -19.374 8.704 1.00 0.00 C ATOM 668 C PHE A 65 5.289 -19.819 7.249 1.00 0.00 C ATOM 669 O PHE A 65 6.105 -20.687 6.942 1.00 0.00 O ATOM 670 CB PHE A 65 5.593 -20.489 9.645 1.00 0.00 C ATOM 671 CG PHE A 65 6.814 -20.127 10.442 1.00 0.00 C ATOM 672 CD1 PHE A 65 8.082 -20.315 9.914 1.00 0.00 C ATOM 673 CD2 PHE A 65 6.694 -19.601 11.717 1.00 0.00 C ATOM 674 CE1 PHE A 65 9.208 -19.984 10.644 1.00 0.00 C ATOM 675 CE2 PHE A 65 7.816 -19.268 12.452 1.00 0.00 C ATOM 676 CZ PHE A 65 9.074 -19.459 11.915 1.00 0.00 C ATOM 0 H PHE A 65 3.653 -18.182 9.605 1.00 0.00 H new ATOM 0 HA PHE A 65 5.749 -18.491 8.855 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.782 -20.738 10.329 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.802 -21.385 9.060 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.191 -20.725 8.921 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.713 -19.449 12.142 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.190 -20.135 10.222 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.709 -18.859 13.446 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.952 -19.198 12.488 1.00 0.00 H new ATOM 686 N LYS A 66 4.499 -19.222 6.362 1.00 0.00 N ATOM 687 CA LYS A 66 4.550 -19.561 4.945 1.00 0.00 C ATOM 688 C LYS A 66 4.374 -18.318 4.078 1.00 0.00 C ATOM 689 O LYS A 66 5.103 -18.121 3.106 1.00 0.00 O ATOM 690 CB LYS A 66 3.466 -20.589 4.609 1.00 0.00 C ATOM 691 CG LYS A 66 3.943 -21.695 3.683 1.00 0.00 C ATOM 692 CD LYS A 66 3.071 -22.934 3.799 1.00 0.00 C ATOM 693 CE LYS A 66 2.058 -23.011 2.668 1.00 0.00 C ATOM 694 NZ LYS A 66 2.675 -23.489 1.401 1.00 0.00 N ATOM 0 H LYS A 66 3.817 -18.502 6.600 1.00 0.00 H new ATOM 0 HA LYS A 66 5.530 -19.990 4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.100 -21.034 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.623 -20.077 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.934 -21.338 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.975 -21.952 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.699 -23.825 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.549 -22.925 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.247 -23.682 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.617 -22.027 2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.951 -23.527 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.432 -22.836 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.074 -24.439 1.546 1.00 0.00 H new ATOM 708 N GLU A 67 3.403 -17.482 4.438 1.00 0.00 N ATOM 709 CA GLU A 67 3.128 -16.255 3.695 1.00 0.00 C ATOM 710 C GLU A 67 2.492 -16.566 2.344 1.00 0.00 C ATOM 711 O GLU A 67 3.164 -17.023 1.420 1.00 0.00 O ATOM 712 CB GLU A 67 4.415 -15.448 3.496 1.00 0.00 C ATOM 713 CG GLU A 67 4.174 -14.020 3.038 1.00 0.00 C ATOM 714 CD GLU A 67 5.335 -13.463 2.238 1.00 0.00 C ATOM 715 OE1 GLU A 67 5.726 -14.098 1.237 1.00 0.00 O ATOM 716 OE2 GLU A 67 5.854 -12.390 2.613 1.00 0.00 O ATOM 0 H GLU A 67 2.793 -17.632 5.241 1.00 0.00 H new ATOM 0 HA GLU A 67 2.425 -15.660 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.971 -15.431 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.042 -15.955 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.269 -13.984 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.000 -13.387 3.908 1.00 0.00 H new ATOM 723 N PHE A 68 1.191 -16.314 2.239 1.00 0.00 N ATOM 724 CA PHE A 68 0.459 -16.565 1.002 1.00 0.00 C ATOM 725 C PHE A 68 -0.109 -15.267 0.436 1.00 0.00 C ATOM 726 O PHE A 68 -0.005 -14.210 1.058 1.00 0.00 O ATOM 727 CB PHE A 68 -0.672 -17.568 1.249 1.00 0.00 C ATOM 728 CG PHE A 68 -0.616 -18.770 0.350 1.00 0.00 C ATOM 729 CD1 PHE A 68 0.430 -19.674 0.445 1.00 0.00 C ATOM 730 CD2 PHE A 68 -1.610 -18.997 -0.588 1.00 0.00 C ATOM 731 CE1 PHE A 68 0.485 -20.782 -0.379 1.00 0.00 C ATOM 732 CE2 PHE A 68 -1.560 -20.104 -1.416 1.00 0.00 C ATOM 733 CZ PHE A 68 -0.512 -20.997 -1.311 1.00 0.00 C ATOM 0 H PHE A 68 0.622 -15.936 2.996 1.00 0.00 H new ATOM 0 HA PHE A 68 1.154 -16.985 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.633 -17.899 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.629 -17.065 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.212 -19.511 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.433 -18.302 -0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.306 -21.479 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.340 -20.270 -2.144 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.472 -21.862 -1.956 1.00 0.00 H new ATOM 743 N ASP A 69 -0.710 -15.354 -0.747 1.00 0.00 N ATOM 744 CA ASP A 69 -1.294 -14.185 -1.395 1.00 0.00 C ATOM 745 C ASP A 69 -0.236 -13.118 -1.656 1.00 0.00 C ATOM 746 O ASP A 69 0.893 -13.220 -1.177 1.00 0.00 O ATOM 747 CB ASP A 69 -2.417 -13.606 -0.532 1.00 0.00 C ATOM 748 CG ASP A 69 -3.511 -14.618 -0.252 1.00 0.00 C ATOM 749 OD1 ASP A 69 -3.892 -15.355 -1.185 1.00 0.00 O ATOM 750 OD2 ASP A 69 -3.988 -14.673 0.902 1.00 0.00 O ATOM 0 H ASP A 69 -0.805 -16.221 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.706 -14.502 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.001 -13.254 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.847 -12.739 -1.034 1.00 0.00 H new ATOM 755 N LYS A 70 -0.608 -12.095 -2.420 1.00 0.00 N ATOM 756 CA LYS A 70 0.309 -11.010 -2.746 1.00 0.00 C ATOM 757 C LYS A 70 -0.428 -9.677 -2.833 1.00 0.00 C ATOM 758 O LYS A 70 -1.644 -9.638 -3.029 1.00 0.00 O ATOM 759 CB LYS A 70 1.023 -11.298 -4.069 1.00 0.00 C ATOM 760 CG LYS A 70 1.759 -12.628 -4.087 1.00 0.00 C ATOM 761 CD LYS A 70 2.271 -12.963 -5.478 1.00 0.00 C ATOM 762 CE LYS A 70 3.258 -14.119 -5.445 1.00 0.00 C ATOM 763 NZ LYS A 70 2.613 -15.387 -5.007 1.00 0.00 N ATOM 0 H LYS A 70 -1.539 -11.996 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 70 1.048 -10.943 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.291 -11.286 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.734 -10.496 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.596 -12.591 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.092 -13.419 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.431 -13.219 -6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.751 -12.086 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.691 -14.255 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.078 -13.877 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.307 -16.161 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.267 -15.282 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.814 -15.606 -5.636 1.00 0.00 H new ATOM 777 N ILE A 71 0.314 -8.583 -2.684 1.00 0.00 N ATOM 778 CA ILE A 71 -0.274 -7.251 -2.745 1.00 0.00 C ATOM 779 C ILE A 71 0.524 -6.335 -3.658 1.00 0.00 C ATOM 780 O ILE A 71 1.745 -6.445 -3.758 1.00 0.00 O ATOM 781 CB ILE A 71 -0.372 -6.608 -1.351 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.911 -7.621 -0.350 1.00 0.00 C ATOM 783 CG2 ILE A 71 -1.266 -5.379 -1.395 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.817 -7.164 1.089 1.00 0.00 C ATOM 0 H ILE A 71 1.321 -8.594 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.279 -7.375 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 71 0.624 -6.296 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.954 -7.833 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.362 -8.556 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.325 -4.936 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.851 -4.652 -2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.265 -5.667 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.220 -7.937 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.226 -6.979 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.390 -6.246 1.217 1.00 0.00 H new ATOM 796 N SER A 72 -0.182 -5.435 -4.327 1.00 0.00 N ATOM 797 CA SER A 72 0.450 -4.496 -5.242 1.00 0.00 C ATOM 798 C SER A 72 -0.146 -3.098 -5.099 1.00 0.00 C ATOM 799 O SER A 72 -1.181 -2.914 -4.458 1.00 0.00 O ATOM 800 CB SER A 72 0.296 -4.990 -6.680 1.00 0.00 C ATOM 801 OG SER A 72 1.507 -4.848 -7.403 1.00 0.00 O ATOM 0 H SER A 72 -1.194 -5.335 -4.253 1.00 0.00 H new ATOM 0 HA SER A 72 1.509 -4.436 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.008 -6.037 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.495 -4.429 -7.177 1.00 0.00 H new ATOM 0 HG SER A 72 1.381 -5.173 -8.319 1.00 0.00 H new ATOM 807 N TYR A 73 0.515 -2.117 -5.705 1.00 0.00 N ATOM 808 CA TYR A 73 0.057 -0.734 -5.652 1.00 0.00 C ATOM 809 C TYR A 73 0.646 0.073 -6.806 1.00 0.00 C ATOM 810 O TYR A 73 1.720 -0.249 -7.314 1.00 0.00 O ATOM 811 CB TYR A 73 0.444 -0.103 -4.313 1.00 0.00 C ATOM 812 CG TYR A 73 1.931 0.133 -4.153 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.820 -0.934 -4.084 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.445 1.420 -4.071 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.172 -0.723 -3.935 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.800 1.640 -3.924 1.00 0.00 C ATOM 817 CZ TYR A 73 4.661 0.565 -3.858 1.00 0.00 C ATOM 818 OH TYR A 73 6.013 0.780 -3.712 1.00 0.00 O ATOM 0 H TYR A 73 1.372 -2.255 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.029 -0.725 -5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.078 0.848 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.100 -0.749 -3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.444 -1.944 -4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.773 2.264 -4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.848 -1.563 -3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.183 2.648 -3.861 1.00 0.00 H new ATOM 0 HH TYR A 73 6.189 1.743 -3.675 1.00 0.00 H new ATOM 828 N ASP A 74 -0.064 1.118 -7.219 1.00 0.00 N ATOM 829 CA ASP A 74 0.395 1.961 -8.314 1.00 0.00 C ATOM 830 C ASP A 74 -0.262 3.332 -8.260 1.00 0.00 C ATOM 831 O ASP A 74 -1.214 3.553 -7.512 1.00 0.00 O ATOM 832 CB ASP A 74 0.097 1.290 -9.656 1.00 0.00 C ATOM 833 CG ASP A 74 1.214 1.476 -10.654 1.00 0.00 C ATOM 834 OD1 ASP A 74 1.502 2.641 -11.013 1.00 0.00 O ATOM 835 OD2 ASP A 74 1.807 0.464 -11.083 1.00 0.00 O ATOM 0 H ASP A 74 -0.956 1.400 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 74 1.472 2.094 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.071 0.225 -9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.826 1.700 -10.067 1.00 0.00 H new ATOM 840 N ILE A 75 0.249 4.261 -9.073 1.00 0.00 N ATOM 841 CA ILE A 75 -0.282 5.610 -9.123 1.00 0.00 C ATOM 842 C ILE A 75 -0.590 6.017 -10.563 1.00 0.00 C ATOM 843 O ILE A 75 -0.046 5.443 -11.507 1.00 0.00 O ATOM 844 CB ILE A 75 0.696 6.631 -8.515 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.149 6.173 -7.127 1.00 0.00 C ATOM 846 CG2 ILE A 75 0.057 8.013 -8.443 1.00 0.00 C ATOM 847 CD1 ILE A 75 2.634 6.387 -6.882 1.00 0.00 C ATOM 0 H ILE A 75 1.033 4.094 -9.704 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.200 5.610 -8.535 1.00 0.00 H new ATOM 0 HB ILE A 75 1.572 6.696 -9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.581 6.713 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.916 5.115 -7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.765 8.719 -8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.215 8.341 -9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.837 7.969 -7.821 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.891 6.042 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.209 5.825 -7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.868 7.448 -6.971 1.00 0.00 H new ATOM 859 N SER A 76 -1.464 7.005 -10.726 1.00 0.00 N ATOM 860 CA SER A 76 -1.841 7.481 -12.054 1.00 0.00 C ATOM 861 C SER A 76 -2.565 8.819 -11.971 1.00 0.00 C ATOM 862 O SER A 76 -2.641 9.434 -10.908 1.00 0.00 O ATOM 863 CB SER A 76 -2.729 6.449 -12.752 1.00 0.00 C ATOM 864 OG SER A 76 -3.996 6.358 -12.123 1.00 0.00 O ATOM 0 H SER A 76 -1.924 7.492 -9.957 1.00 0.00 H new ATOM 0 HA SER A 76 -0.929 7.621 -12.635 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.858 6.724 -13.799 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.241 5.475 -12.736 1.00 0.00 H new ATOM 0 HG SER A 76 -4.545 5.693 -12.589 1.00 0.00 H new ATOM 870 N THR A 77 -3.096 9.269 -13.107 1.00 0.00 N ATOM 871 CA THR A 77 -3.816 10.535 -13.169 1.00 0.00 C ATOM 872 C THR A 77 -2.902 11.704 -12.805 1.00 0.00 C ATOM 873 O THR A 77 -1.955 11.538 -12.025 1.00 0.00 O ATOM 874 CB THR A 77 -5.035 10.511 -12.239 1.00 0.00 C ATOM 875 OG1 THR A 77 -4.683 10.930 -10.934 1.00 0.00 O ATOM 876 CG2 THR A 77 -5.688 9.151 -12.128 1.00 0.00 C ATOM 0 H THR A 77 -3.040 8.773 -13.997 1.00 0.00 H new ATOM 0 HA THR A 77 -4.159 10.673 -14.194 1.00 0.00 H new ATOM 0 HB THR A 77 -5.750 11.197 -12.693 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.912 10.413 -10.621 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.542 9.212 -11.454 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.025 8.828 -13.113 1.00 0.00 H new ATOM 0 HG23 THR A 77 -4.968 8.432 -11.737 1.00 0.00 H new ATOM 884 N PRO A 78 -3.168 12.894 -13.356 1.00 0.00 N ATOM 885 CA PRO A 78 -2.376 14.093 -13.086 1.00 0.00 C ATOM 886 C PRO A 78 -2.622 14.667 -11.697 1.00 0.00 C ATOM 887 O PRO A 78 -1.819 15.432 -11.172 1.00 0.00 O ATOM 888 CB PRO A 78 -2.832 15.076 -14.162 1.00 0.00 C ATOM 889 CG PRO A 78 -4.231 14.667 -14.461 1.00 0.00 C ATOM 890 CD PRO A 78 -4.276 13.172 -14.293 1.00 0.00 C ATOM 0 HA PRO A 78 -1.307 13.879 -13.110 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.785 16.105 -13.807 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.201 15.016 -15.049 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.932 15.156 -13.785 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.512 14.954 -15.474 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.234 12.842 -13.890 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.136 12.657 -15.244 1.00 0.00 H new ATOM 898 N ILE A 79 -3.749 14.287 -11.098 1.00 0.00 N ATOM 899 CA ILE A 79 -4.101 14.762 -9.763 1.00 0.00 C ATOM 900 C ILE A 79 -3.562 13.846 -8.672 1.00 0.00 C ATOM 901 O ILE A 79 -3.955 13.948 -7.508 1.00 0.00 O ATOM 902 CB ILE A 79 -5.631 14.893 -9.605 1.00 0.00 C ATOM 903 CG1 ILE A 79 -6.239 15.594 -10.819 1.00 0.00 C ATOM 904 CG2 ILE A 79 -5.966 15.642 -8.324 1.00 0.00 C ATOM 905 CD1 ILE A 79 -5.684 16.981 -11.054 1.00 0.00 C ATOM 0 H ILE A 79 -4.431 13.654 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.639 15.743 -9.651 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.061 13.894 -9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.063 14.986 -11.706 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.319 15.661 -10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.048 15.727 -8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.565 15.098 -7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.525 16.638 -8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.160 17.419 -11.931 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.883 17.605 -10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.608 16.919 -11.218 1.00 0.00 H new ATOM 917 N ASN A 80 -2.654 12.946 -9.044 1.00 0.00 N ATOM 918 CA ASN A 80 -2.063 12.017 -8.089 1.00 0.00 C ATOM 919 C ASN A 80 -3.124 11.113 -7.471 1.00 0.00 C ATOM 920 O ASN A 80 -3.642 11.395 -6.390 1.00 0.00 O ATOM 921 CB ASN A 80 -1.327 12.786 -6.990 1.00 0.00 C ATOM 922 CG ASN A 80 -0.059 12.081 -6.544 1.00 0.00 C ATOM 923 OD1 ASN A 80 1.028 12.655 -6.579 1.00 0.00 O ATOM 924 ND2 ASN A 80 -0.190 10.832 -6.122 1.00 0.00 N ATOM 0 H ASN A 80 -2.313 12.842 -10.000 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.352 11.390 -8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.077 13.783 -7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.989 12.914 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.629 10.310 -5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.110 10.392 -6.109 1.00 0.00 H new ATOM 931 N PHE A 81 -3.436 10.017 -8.156 1.00 0.00 N ATOM 932 CA PHE A 81 -4.429 9.066 -7.672 1.00 0.00 C ATOM 933 C PHE A 81 -3.759 7.748 -7.281 1.00 0.00 C ATOM 934 O PHE A 81 -3.006 7.172 -8.065 1.00 0.00 O ATOM 935 CB PHE A 81 -5.498 8.816 -8.737 1.00 0.00 C ATOM 936 CG PHE A 81 -6.781 9.552 -8.480 1.00 0.00 C ATOM 937 CD1 PHE A 81 -6.894 10.902 -8.776 1.00 0.00 C ATOM 938 CD2 PHE A 81 -7.878 8.897 -7.946 1.00 0.00 C ATOM 939 CE1 PHE A 81 -8.074 11.580 -8.540 1.00 0.00 C ATOM 940 CE2 PHE A 81 -9.059 9.566 -7.705 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.160 10.916 -8.007 1.00 0.00 C ATOM 0 H PHE A 81 -3.014 9.766 -9.050 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.909 9.491 -6.790 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.107 9.112 -9.710 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.705 7.747 -8.789 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.050 11.429 -9.196 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.807 7.844 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.147 12.632 -8.773 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.903 9.041 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.084 11.445 -7.826 1.00 0.00 H new ATOM 951 N LEU A 82 -4.034 7.289 -6.071 1.00 0.00 N ATOM 952 CA LEU A 82 -3.449 6.047 -5.583 1.00 0.00 C ATOM 953 C LEU A 82 -4.355 4.853 -5.868 1.00 0.00 C ATOM 954 O LEU A 82 -5.268 4.554 -5.099 1.00 0.00 O ATOM 955 CB LEU A 82 -3.176 6.141 -4.077 1.00 0.00 C ATOM 956 CG LEU A 82 -2.251 5.064 -3.519 1.00 0.00 C ATOM 957 CD1 LEU A 82 -0.826 5.285 -4.006 1.00 0.00 C ATOM 958 CD2 LEU A 82 -2.308 5.053 -2.000 1.00 0.00 C ATOM 0 H LEU A 82 -4.656 7.754 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.508 5.896 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.742 7.118 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.127 6.091 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.588 4.092 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.178 4.509 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.803 5.243 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.475 6.262 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.643 4.279 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.994 6.024 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.328 4.848 -1.676 1.00 0.00 H new ATOM 970 N CYS A 83 -4.091 4.169 -6.978 1.00 0.00 N ATOM 971 CA CYS A 83 -4.873 3.000 -7.362 1.00 0.00 C ATOM 972 C CYS A 83 -4.160 1.719 -6.935 1.00 0.00 C ATOM 973 O CYS A 83 -3.204 1.295 -7.579 1.00 0.00 O ATOM 974 CB CYS A 83 -5.107 2.991 -8.873 1.00 0.00 C ATOM 975 SG CYS A 83 -6.162 4.335 -9.463 1.00 0.00 S ATOM 0 H CYS A 83 -3.341 4.405 -7.627 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.838 3.049 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.144 3.050 -9.380 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.557 2.039 -9.155 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.300 4.245 -10.753 1.00 0.00 H new ATOM 981 N ILE A 84 -4.625 1.124 -5.842 1.00 0.00 N ATOM 982 CA ILE A 84 -4.023 -0.090 -5.328 1.00 0.00 C ATOM 983 C ILE A 84 -4.615 -1.337 -5.981 1.00 0.00 C ATOM 984 O ILE A 84 -5.825 -1.439 -6.181 1.00 0.00 O ATOM 985 CB ILE A 84 -4.179 -0.178 -3.789 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.091 0.670 -3.111 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.128 -1.630 -3.311 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.486 0.041 -1.872 1.00 0.00 C ATOM 0 H ILE A 84 -5.417 1.466 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.962 -0.048 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.156 0.217 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.296 0.861 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.517 1.637 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.240 -1.660 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.937 -2.195 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.171 -2.071 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.728 0.707 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.267 -0.125 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.027 -0.912 -2.135 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.741 -2.289 -6.292 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.149 -3.547 -6.903 1.00 0.00 C ATOM 1002 C PHE A 85 -3.558 -4.717 -6.123 1.00 0.00 C ATOM 1003 O PHE A 85 -2.419 -5.116 -6.358 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.699 -3.605 -8.364 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.353 -2.571 -9.235 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.694 -2.678 -9.563 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -3.626 -1.501 -9.720 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.299 -1.729 -10.363 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -4.225 -0.549 -10.521 1.00 0.00 C ATOM 1010 CZ PHE A 85 -5.563 -0.664 -10.843 1.00 0.00 C ATOM 0 H PHE A 85 -2.737 -2.210 -6.129 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.237 -3.613 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.618 -3.474 -8.408 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.917 -4.595 -8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.272 -3.511 -9.190 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.579 -1.408 -9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.346 -1.820 -10.613 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.648 0.284 -10.895 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.033 0.079 -11.470 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.332 -5.249 -5.185 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.879 -6.360 -4.355 1.00 0.00 C ATOM 1022 C ILE A 86 -4.338 -7.707 -4.919 1.00 0.00 C ATOM 1023 O ILE A 86 -5.512 -8.062 -4.814 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.397 -6.210 -2.906 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -4.060 -7.451 -2.075 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.896 -5.951 -2.900 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.347 -7.286 -0.599 1.00 0.00 C ATOM 0 H ILE A 86 -5.278 -4.929 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.789 -6.335 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.897 -5.354 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.630 -8.299 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.005 -7.691 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.243 -5.848 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.109 -5.033 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.411 -6.786 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.084 -8.204 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.757 -6.459 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.407 -7.076 -0.456 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.417 -8.483 -5.526 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.741 -9.790 -6.097 1.00 0.00 C ATOM 1041 C PRO A 87 -3.896 -10.855 -5.019 1.00 0.00 C ATOM 1042 O PRO A 87 -2.924 -11.237 -4.368 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.539 -10.115 -6.999 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.659 -8.905 -6.968 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.998 -8.163 -5.708 1.00 0.00 C ATOM 0 HA PRO A 87 -4.689 -9.772 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.006 -10.994 -6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.863 -10.335 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.607 -9.190 -6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.829 -8.279 -7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.395 -8.498 -4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.833 -7.090 -5.811 1.00 0.00 H new ATOM 1053 N THR A 88 -5.120 -11.328 -4.828 1.00 0.00 N ATOM 1054 CA THR A 88 -5.388 -12.343 -3.817 1.00 0.00 C ATOM 1055 C THR A 88 -6.614 -13.179 -4.186 1.00 0.00 C ATOM 1056 O THR A 88 -7.611 -12.660 -4.690 1.00 0.00 O ATOM 1057 CB THR A 88 -5.577 -11.676 -2.447 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.332 -11.238 -1.933 1.00 0.00 O ATOM 1059 CG2 THR A 88 -6.206 -12.579 -1.406 1.00 0.00 C ATOM 0 H THR A 88 -5.939 -11.028 -5.356 1.00 0.00 H new ATOM 0 HA THR A 88 -4.533 -13.017 -3.768 1.00 0.00 H new ATOM 0 HB THR A 88 -6.255 -10.842 -2.629 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.653 -11.281 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.306 -12.036 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.191 -12.898 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.574 -13.454 -1.254 1.00 0.00 H new ATOM 1067 N LEU A 89 -6.527 -14.482 -3.930 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.619 -15.402 -4.230 1.00 0.00 C ATOM 1069 C LEU A 89 -8.478 -15.667 -2.994 1.00 0.00 C ATOM 1070 O LEU A 89 -9.574 -16.217 -3.099 1.00 0.00 O ATOM 1071 CB LEU A 89 -7.065 -16.721 -4.770 1.00 0.00 C ATOM 1072 CG LEU A 89 -6.826 -16.753 -6.280 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -5.601 -15.928 -6.645 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -6.666 -18.187 -6.763 1.00 0.00 C ATOM 0 H LEU A 89 -5.708 -14.925 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.248 -14.937 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.124 -16.936 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.757 -17.522 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.694 -16.317 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.447 -15.963 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.752 -14.895 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.725 -16.335 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.497 -18.192 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.816 -18.648 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.571 -18.751 -6.536 1.00 0.00 H new ATOM 1086 N PHE A 90 -7.974 -15.277 -1.826 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.693 -15.475 -0.573 1.00 0.00 C ATOM 1088 C PHE A 90 -8.877 -16.960 -0.282 1.00 0.00 C ATOM 1089 O PHE A 90 -9.363 -17.717 -1.123 1.00 0.00 O ATOM 1090 CB PHE A 90 -10.051 -14.765 -0.616 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.973 -15.136 0.514 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -11.707 -16.311 0.468 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -11.105 -14.310 1.619 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -12.556 -16.654 1.504 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -11.952 -14.648 2.656 1.00 0.00 C ATOM 1096 CZ PHE A 90 -12.677 -15.822 2.599 1.00 0.00 C ATOM 0 H PHE A 90 -7.068 -14.821 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.100 -15.041 0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.887 -13.688 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.541 -14.997 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -11.615 -16.965 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -10.539 -13.392 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -13.124 -17.572 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -12.047 -13.995 3.511 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.338 -16.089 3.410 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.485 -17.363 0.921 1.00 0.00 N ATOM 1107 CA ASP A 91 -8.599 -18.755 1.344 1.00 0.00 C ATOM 1108 C ASP A 91 -8.021 -18.943 2.743 1.00 0.00 C ATOM 1109 O ASP A 91 -8.691 -19.455 3.639 1.00 0.00 O ATOM 1110 CB ASP A 91 -7.876 -19.678 0.357 1.00 0.00 C ATOM 1111 CG ASP A 91 -8.601 -20.996 0.161 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -8.721 -21.758 1.144 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -9.046 -21.265 -0.974 1.00 0.00 O ATOM 0 H ASP A 91 -8.083 -16.743 1.624 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.657 -19.015 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.779 -19.173 -0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.866 -19.872 0.718 1.00 0.00 H new ATOM 1118 N MET A 92 -6.770 -18.527 2.919 1.00 0.00 N ATOM 1119 CA MET A 92 -6.097 -18.649 4.207 1.00 0.00 C ATOM 1120 C MET A 92 -6.627 -17.619 5.199 1.00 0.00 C ATOM 1121 O MET A 92 -6.515 -16.414 4.977 1.00 0.00 O ATOM 1122 CB MET A 92 -4.586 -18.479 4.029 1.00 0.00 C ATOM 1123 CG MET A 92 -3.822 -19.793 4.048 1.00 0.00 C ATOM 1124 SD MET A 92 -4.382 -20.940 2.775 1.00 0.00 S ATOM 1125 CE MET A 92 -3.224 -20.575 1.458 1.00 0.00 C ATOM 0 H MET A 92 -6.202 -18.103 2.185 1.00 0.00 H new ATOM 0 HA MET A 92 -6.300 -19.643 4.606 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.394 -17.970 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 92 -4.205 -17.835 4.821 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.759 -19.593 3.910 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.934 -20.260 5.027 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.336 -21.310 0.661 1.00 0.00 H new ATOM 0 HE2 MET A 92 -3.424 -19.579 1.063 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.207 -20.614 1.847 1.00 0.00 H new ATOM 1135 N ASN A 93 -7.206 -18.107 6.298 1.00 0.00 N ATOM 1136 CA ASN A 93 -7.758 -17.243 7.341 1.00 0.00 C ATOM 1137 C ASN A 93 -9.138 -16.701 6.962 1.00 0.00 C ATOM 1138 O ASN A 93 -9.855 -16.171 7.812 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.804 -16.084 7.637 1.00 0.00 C ATOM 1140 CG ASN A 93 -6.728 -15.758 9.116 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -5.645 -15.541 9.661 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -7.880 -15.722 9.776 1.00 0.00 N ATOM 0 H ASN A 93 -7.305 -19.104 6.488 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.874 -17.852 8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.808 -16.335 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.131 -15.200 7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.890 -15.508 10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.755 -15.908 9.286 1.00 0.00 H new ATOM 1149 N ASN A 94 -9.513 -16.834 5.691 1.00 0.00 N ATOM 1150 CA ASN A 94 -10.809 -16.355 5.221 1.00 0.00 C ATOM 1151 C ASN A 94 -11.033 -14.895 5.611 1.00 0.00 C ATOM 1152 O ASN A 94 -12.053 -14.550 6.209 1.00 0.00 O ATOM 1153 CB ASN A 94 -11.931 -17.227 5.790 1.00 0.00 C ATOM 1154 CG ASN A 94 -12.158 -18.483 4.972 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -11.822 -19.633 5.546 1.00 0.00 O flip ATOM 1156 ND2 ASN A 94 -12.630 -18.421 3.836 1.00 0.00 N flip ATOM 0 H ASN A 94 -8.938 -17.269 4.970 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.819 -16.421 4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.688 -17.504 6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.854 -16.649 5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.874 -17.516 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.777 -19.275 3.297 1.00 0.00 H new ATOM 1163 N MET A 95 -10.074 -14.041 5.267 1.00 0.00 N ATOM 1164 CA MET A 95 -10.170 -12.620 5.583 1.00 0.00 C ATOM 1165 C MET A 95 -9.007 -11.844 4.972 1.00 0.00 C ATOM 1166 O MET A 95 -9.194 -10.765 4.410 1.00 0.00 O ATOM 1167 CB MET A 95 -10.199 -12.412 7.098 1.00 0.00 C ATOM 1168 CG MET A 95 -9.007 -13.022 7.821 1.00 0.00 C ATOM 1169 SD MET A 95 -9.014 -12.673 9.589 1.00 0.00 S ATOM 1170 CE MET A 95 -7.286 -12.289 9.865 1.00 0.00 C ATOM 0 H MET A 95 -9.224 -14.307 4.771 1.00 0.00 H new ATOM 0 HA MET A 95 -11.098 -12.242 5.155 1.00 0.00 H new ATOM 0 HB2 MET A 95 -10.233 -11.343 7.309 1.00 0.00 H new ATOM 0 HB3 MET A 95 -11.116 -12.845 7.498 1.00 0.00 H new ATOM 0 HG2 MET A 95 -9.008 -14.101 7.668 1.00 0.00 H new ATOM 0 HG3 MET A 95 -8.086 -12.638 7.383 1.00 0.00 H new ATOM 0 HE1 MET A 95 -7.023 -12.518 10.898 1.00 0.00 H new ATOM 0 HE2 MET A 95 -6.669 -12.885 9.192 1.00 0.00 H new ATOM 0 HE3 MET A 95 -7.113 -11.230 9.673 1.00 0.00 H new ATOM 1180 N ASP A 96 -7.804 -12.401 5.087 1.00 0.00 N ATOM 1181 CA ASP A 96 -6.609 -11.760 4.548 1.00 0.00 C ATOM 1182 C ASP A 96 -6.420 -10.363 5.135 1.00 0.00 C ATOM 1183 O ASP A 96 -5.763 -9.514 4.532 1.00 0.00 O ATOM 1184 CB ASP A 96 -6.696 -11.677 3.023 1.00 0.00 C ATOM 1185 CG ASP A 96 -6.923 -13.032 2.383 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -6.153 -13.968 2.685 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -7.871 -13.157 1.579 1.00 0.00 O ATOM 0 H ASP A 96 -7.632 -13.294 5.548 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.748 -12.367 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.508 -11.006 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.776 -11.243 2.632 1.00 0.00 H new ATOM 1192 N LEU A 97 -6.996 -10.135 6.315 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.895 -8.845 6.999 1.00 0.00 C ATOM 1194 C LEU A 97 -7.050 -7.676 6.026 1.00 0.00 C ATOM 1195 O LEU A 97 -6.274 -6.720 6.058 1.00 0.00 O ATOM 1196 CB LEU A 97 -5.563 -8.739 7.749 1.00 0.00 C ATOM 1197 CG LEU A 97 -4.322 -8.547 6.868 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -3.406 -7.488 7.463 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -3.577 -9.863 6.701 1.00 0.00 C ATOM 0 H LEU A 97 -7.542 -10.833 6.821 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.713 -8.789 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.624 -7.904 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.428 -9.642 8.344 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.647 -8.209 5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.531 -7.364 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.941 -6.541 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.089 -7.799 8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.700 -9.707 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.263 -10.230 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.234 -10.596 6.232 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.058 -7.759 5.164 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.316 -6.709 4.184 1.00 0.00 C ATOM 1213 C LEU A 98 -8.943 -5.482 4.845 1.00 0.00 C ATOM 1214 O LEU A 98 -8.852 -4.369 4.324 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.233 -7.235 3.075 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.664 -7.125 1.659 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -8.238 -5.695 1.365 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -7.494 -8.079 1.480 1.00 0.00 C ATOM 0 H LEU A 98 -8.710 -8.542 5.124 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.362 -6.411 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.461 -8.281 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.176 -6.690 3.115 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.445 -7.403 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.836 -5.636 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.100 -5.033 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.473 -5.389 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.102 -7.988 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.710 -7.832 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.830 -9.102 1.648 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.579 -5.690 5.994 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.221 -4.603 6.726 1.00 0.00 C ATOM 1232 C LYS A 99 -9.220 -3.506 7.083 1.00 0.00 C ATOM 1233 O LYS A 99 -9.606 -2.369 7.354 1.00 0.00 O ATOM 1234 CB LYS A 99 -10.879 -5.138 7.997 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.059 -6.060 7.730 1.00 0.00 C ATOM 1236 CD LYS A 99 -13.304 -5.611 8.482 1.00 0.00 C ATOM 1237 CE LYS A 99 -14.268 -4.871 7.570 1.00 0.00 C ATOM 1238 NZ LYS A 99 -14.965 -5.794 6.632 1.00 0.00 N ATOM 0 H LYS A 99 -9.664 -6.604 6.439 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.984 -4.171 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.134 -5.676 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.216 -4.297 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.268 -6.083 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.801 -7.077 8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.803 -6.479 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.016 -4.964 9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.005 -4.342 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.723 -4.118 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.752 -5.293 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.295 -6.124 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.335 -6.610 7.159 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.937 -3.851 7.083 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.889 -2.891 7.408 1.00 0.00 C ATOM 1254 C GLN A 100 -6.606 -1.982 6.220 1.00 0.00 C ATOM 1255 O GLN A 100 -6.587 -0.758 6.351 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.611 -3.620 7.826 1.00 0.00 C ATOM 1257 CG GLN A 100 -4.808 -2.883 8.884 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.838 -3.789 9.617 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -2.887 -4.305 9.028 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -4.075 -3.989 10.908 1.00 0.00 N ATOM 0 H GLN A 100 -7.598 -4.787 6.862 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.234 -2.278 8.240 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.874 -4.608 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.985 -3.771 6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.255 -2.070 8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.491 -2.430 9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.875 -3.541 11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.457 -4.591 11.453 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.389 -2.591 5.060 1.00 0.00 N ATOM 1270 CA ALA A 101 -6.110 -1.845 3.840 1.00 0.00 C ATOM 1271 C ALA A 101 -7.203 -0.815 3.567 1.00 0.00 C ATOM 1272 O ALA A 101 -6.919 0.351 3.285 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.975 -2.800 2.665 1.00 0.00 C ATOM 0 H ALA A 101 -6.401 -3.604 4.939 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.169 -1.310 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.767 -2.233 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.158 -3.496 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.904 -3.356 2.540 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.454 -1.256 3.657 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.593 -0.376 3.420 1.00 0.00 C ATOM 1281 C LEU A 102 -9.751 0.636 4.552 1.00 0.00 C ATOM 1282 O LEU A 102 -10.333 1.703 4.363 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.877 -1.194 3.265 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.209 -2.114 4.442 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.051 -1.379 5.473 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -11.931 -3.361 3.952 1.00 0.00 C ATOM 0 H LEU A 102 -8.704 -2.216 3.892 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.407 0.171 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.710 -0.508 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.796 -1.800 2.362 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.276 -2.419 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.277 -2.049 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.499 -0.515 5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.981 -1.045 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.160 -4.006 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.857 -3.073 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.293 -3.898 3.250 1.00 0.00 H new ATOM 1298 N LEU A 103 -9.233 0.295 5.727 1.00 0.00 N ATOM 1299 CA LEU A 103 -9.322 1.176 6.884 1.00 0.00 C ATOM 1300 C LEU A 103 -8.237 2.248 6.846 1.00 0.00 C ATOM 1301 O LEU A 103 -8.484 3.407 7.182 1.00 0.00 O ATOM 1302 CB LEU A 103 -9.208 0.366 8.178 1.00 0.00 C ATOM 1303 CG LEU A 103 -10.533 -0.149 8.739 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -10.289 -1.083 9.914 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -11.420 1.015 9.158 1.00 0.00 C ATOM 0 H LEU A 103 -8.748 -0.585 5.903 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.293 1.670 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.552 -0.486 7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.727 0.985 8.935 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.044 -0.709 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.244 -1.439 10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.691 -1.933 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.757 -0.547 10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.360 0.632 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.914 1.601 9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.623 1.647 8.294 1.00 0.00 H new ATOM 1317 N ILE A 104 -7.032 1.856 6.441 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.912 2.788 6.371 1.00 0.00 C ATOM 1319 C ILE A 104 -6.125 3.842 5.289 1.00 0.00 C ATOM 1320 O ILE A 104 -5.684 4.982 5.429 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.581 2.057 6.108 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -4.671 1.213 4.836 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -4.211 1.187 7.301 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.339 1.015 4.146 1.00 0.00 C ATOM 0 H ILE A 104 -6.807 0.902 6.157 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.861 3.281 7.342 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.800 2.804 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -5.090 0.238 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -5.363 1.689 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.269 0.677 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.104 1.812 8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.995 0.449 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.479 0.407 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.927 1.984 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.650 0.511 4.823 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.803 3.461 4.209 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.063 4.390 3.113 1.00 0.00 C ATOM 1338 C LEU A 105 -8.249 5.293 3.435 1.00 0.00 C ATOM 1339 O LEU A 105 -8.233 6.486 3.132 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.322 3.628 1.810 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.553 2.718 1.818 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.815 3.521 1.539 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.390 1.600 0.799 1.00 0.00 C ATOM 0 H LEU A 105 -7.179 2.523 4.070 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.178 5.014 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.430 4.351 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.445 3.023 1.582 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.647 2.271 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.679 2.856 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.937 4.286 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.735 3.997 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.273 0.961 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.271 2.029 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.509 1.008 1.046 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.277 4.719 4.052 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.470 5.474 4.412 1.00 0.00 C ATOM 1357 C HIS A 106 -10.202 6.392 5.600 1.00 0.00 C ATOM 1358 O HIS A 106 -10.501 7.580 5.550 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.621 4.521 4.741 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.969 5.065 4.383 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.433 5.590 3.226 1.00 0.00 N flip ATOM 1362 CD2 HIS A 106 -14.023 5.109 5.271 1.00 0.00 C flip ATOM 1363 CE1 HIS A 106 -14.745 5.939 3.433 1.00 0.00 C flip ATOM 1364 NE2 HIS A 106 -15.075 5.631 4.679 1.00 0.00 N flip ATOM 0 H HIS A 106 -9.307 3.733 4.313 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.747 6.091 3.557 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.466 3.581 4.212 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.601 4.295 5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.990 4.767 6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.399 6.390 2.702 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.990 5.774 5.106 1.00 0.00 H new ATOM 1373 N ASN A 107 -9.640 5.823 6.658 1.00 0.00 N ATOM 1374 CA ASN A 107 -9.335 6.594 7.862 1.00 0.00 C ATOM 1375 C ASN A 107 -8.342 7.715 7.565 1.00 0.00 C ATOM 1376 O ASN A 107 -8.581 8.872 7.897 1.00 0.00 O ATOM 1377 CB ASN A 107 -8.773 5.681 8.954 1.00 0.00 C ATOM 1378 CG ASN A 107 -9.818 4.724 9.500 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -10.761 4.348 8.799 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -9.654 4.328 10.756 1.00 0.00 N ATOM 0 H ASN A 107 -9.386 4.836 6.710 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.265 7.042 8.212 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.936 5.110 8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.381 6.291 9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.324 3.686 11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.858 4.666 11.297 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.228 7.360 6.932 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.199 8.336 6.590 1.00 0.00 C ATOM 1389 C ASP A 108 -6.771 9.457 5.729 1.00 0.00 C ATOM 1390 O ASP A 108 -6.320 10.603 5.810 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.046 7.651 5.851 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.829 8.541 5.714 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -4.000 9.778 5.675 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.703 8.006 5.648 1.00 0.00 O ATOM 0 H ASP A 108 -7.015 6.404 6.646 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.825 8.771 7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.768 6.742 6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.384 7.349 4.860 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.763 9.126 4.921 1.00 0.00 N ATOM 1400 CA LEU A 109 -8.393 10.108 4.044 1.00 0.00 C ATOM 1401 C LEU A 109 -9.713 10.615 4.620 1.00 0.00 C ATOM 1402 O LEU A 109 -10.378 11.457 4.016 1.00 0.00 O ATOM 1403 CB LEU A 109 -8.638 9.509 2.660 1.00 0.00 C ATOM 1404 CG LEU A 109 -8.943 10.518 1.552 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -7.654 11.087 0.982 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -9.769 9.870 0.458 1.00 0.00 C ATOM 0 H LEU A 109 -8.152 8.186 4.851 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.709 10.953 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -7.759 8.933 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.470 8.808 2.728 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.521 11.337 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.889 11.803 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -7.096 11.588 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -7.051 10.279 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.977 10.602 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.216 9.033 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.708 9.509 0.877 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.100 10.110 5.789 1.00 0.00 N ATOM 1419 CA HIS A 110 -11.349 10.526 6.417 1.00 0.00 C ATOM 1420 C HIS A 110 -11.233 11.932 7.009 1.00 0.00 C ATOM 1421 O HIS A 110 -11.789 12.885 6.457 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.750 9.532 7.511 1.00 0.00 C ATOM 1423 CG HIS A 110 -13.198 9.153 7.473 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -14.237 9.558 8.248 1.00 0.00 N flip ATOM 1425 CD2 HIS A 110 -13.721 8.259 6.568 1.00 0.00 C flip ATOM 1426 CE1 HIS A 110 -15.354 8.901 7.799 1.00 0.00 C flip ATOM 1427 NE2 HIS A 110 -15.017 8.124 6.784 1.00 0.00 N flip ATOM 0 H HIS A 110 -9.570 9.417 6.317 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.119 10.544 5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.144 8.631 7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.521 9.964 8.485 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -13.159 7.747 5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.348 9.002 8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.650 7.522 6.257 1.00 0.00 H new ATOM 1436 N GLU A 111 -10.514 12.056 8.116 1.00 0.00 N ATOM 1437 CA GLU A 111 -10.337 13.355 8.764 1.00 0.00 C ATOM 1438 C GLU A 111 -9.137 14.102 8.184 1.00 0.00 C ATOM 1439 O GLU A 111 -9.286 15.146 7.554 1.00 0.00 O ATOM 1440 CB GLU A 111 -10.173 13.180 10.266 1.00 0.00 C ATOM 1441 CG GLU A 111 -11.081 14.076 11.089 1.00 0.00 C ATOM 1442 CD GLU A 111 -12.524 13.616 11.087 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -13.229 13.883 10.091 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -12.945 12.971 12.073 1.00 0.00 O ATOM 0 H GLU A 111 -10.045 11.281 8.584 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.230 13.950 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.372 12.140 10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.136 13.383 10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.717 14.108 12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.029 15.093 10.700 1.00 0.00 H new