USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 728 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: C 77 ASN : amide:sc= -5.01! K(o=-15!,f=-7.4) USER MOD Set 1.2: C 80 ASN : amide:sc= -9.76! C(o=-15!,f=-8.4!) USER MOD Set 2.1: C 71 THR OG1 : rot -150:sc= 0.372 USER MOD Set 2.2: C 74 ASN : amide:sc= 0.254 K(o=0.63,f=1.9) USER MOD Set 3.1: C 62 LYS NZ :NH3+ -143:sc= 0.0852 (180deg=0) USER MOD Set 3.2: C 65 THR OG1 : rot -99:sc= -2.38! USER MOD Set 4.1: C 24 LYS NZ :NH3+ -158:sc= -0.2 (180deg=-0.603) USER MOD Set 4.2: C 42 ASN : amide:sc= -5.08! C(o=-5.3!,f=-10!) USER MOD Set 5.1: C 40 SER OG : rot -40:sc= 0.468 USER MOD Set 5.2: C 76 SER OG : rot -154:sc= 0.971 USER MOD Set 6.1: C 30 SER OG : rot 26:sc= 0.989 USER MOD Set 6.2: C 37 LYS NZ :NH3+ 179:sc= 1.23 (180deg=-0.104) USER MOD Set 7.1: C 19 LYS NZ :NH3+ -171:sc= 1.2 (180deg=-0.239) USER MOD Set 7.2: C 93 GLN : amide:sc= -0.0461! C(o=1.2!,f=-7.6!) USER MOD Single : C 1 ASP N :NH3+ -178:sc= 0 (180deg=-0.00334) USER MOD Single : C 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 3 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.076) USER MOD Single : C 4 LYS NZ :NH3+ 165:sc= -0.0462 (180deg=-0.296) USER MOD Single : C 9 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.45) USER MOD Single : C 10 MET CE :methyl -141:sc= 0 (180deg=-1.8) USER MOD Single : C 11 ASN : amide:sc= -0.063 X(o=-0.063,f=-0.34) USER MOD Single : C 12 SER OG : rot -158:sc= 1.24 USER MOD Single : C 14 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.66) USER MOD Single : C 15 SER OG : rot -77:sc= 0.308 USER MOD Single : C 17 ASN : amide:sc= 0.504 K(o=0.5,f=-4.7!) USER MOD Single : C 21 ASN : amide:sc= -0.0355 X(o=-0.035,f=-0.39) USER MOD Single : C 22 LYS NZ :NH3+ -170:sc= -1.48! (180deg=-2.55!) USER MOD Single : C 26 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.09) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 153:sc= -0.0625 (180deg=-1.88) USER MOD Single : C 32 ASN : amide:sc= -3.39! C(o=-3.4!,f=-4.8!) USER MOD Single : C 34 ASN : amide:sc= 0.0912 X(o=0.091,f=-0.32) USER MOD Single : C 35 GLN : amide:sc= -3.91! C(o=-3.9!,f=-6.3!) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.21 USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0.184 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.281) USER MOD Single : C 53 ASN : amide:sc= -4.66! C(o=-4.7!,f=-3.9!) USER MOD Single : C 59 ASN : amide:sc= -0.0861 K(o=-0.086,f=-3.8!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= -0.356 K(o=-0.36,f=-10!) USER MOD Single : C 69 LYS NZ :NH3+ -158:sc= -0.0762 (180deg=-0.516) USER MOD Single : C 70 SER OG : rot -86:sc= 1.19 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN : amide:sc= -5.32! C(o=-5.3!,f=-3.6!) USER MOD Single : C 85 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0388) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ 161:sc= -0.0924 (180deg=-0.461) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -20.235 -4.956 -5.526 1.00 0.00 N ATOM 2 CA ASP C 1 -20.351 -6.109 -6.448 1.00 0.00 C ATOM 3 C ASP C 1 -19.418 -7.240 -6.019 1.00 0.00 C ATOM 4 O ASP C 1 -19.821 -8.400 -5.975 1.00 0.00 O ATOM 5 CB ASP C 1 -20.035 -5.677 -7.881 1.00 0.00 C ATOM 6 CG ASP C 1 -20.414 -6.732 -8.902 1.00 0.00 C ATOM 7 OD1 ASP C 1 -21.592 -7.136 -8.934 1.00 0.00 O ATOM 8 OD2 ASP C 1 -19.548 -7.141 -9.698 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -20.902 -4.212 -5.815 1.00 0.00 H new ATOM 0 H2 ASP C 1 -20.457 -5.262 -4.557 1.00 0.00 H new ATOM 0 H3 ASP C 1 -19.265 -4.583 -5.557 1.00 0.00 H new ATOM 0 HA ASP C 1 -21.377 -6.476 -6.410 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -20.567 -4.752 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -18.970 -5.460 -7.965 1.00 0.00 H new ATOM 13 N ASN C 2 -18.172 -6.903 -5.689 1.00 0.00 N ATOM 14 CA ASN C 2 -17.207 -7.905 -5.245 1.00 0.00 C ATOM 15 C ASN C 2 -16.635 -7.530 -3.890 1.00 0.00 C ATOM 16 O ASN C 2 -16.314 -8.395 -3.080 1.00 0.00 O ATOM 17 CB ASN C 2 -16.067 -8.061 -6.253 1.00 0.00 C ATOM 18 CG ASN C 2 -16.539 -8.517 -7.617 1.00 0.00 C ATOM 19 OD1 ASN C 2 -16.814 -7.702 -8.495 1.00 0.00 O ATOM 20 ND2 ASN C 2 -16.636 -9.821 -7.804 1.00 0.00 N ATOM 0 H ASN C 2 -17.810 -5.950 -5.721 1.00 0.00 H new ATOM 0 HA ASN C 2 -17.734 -8.856 -5.165 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -15.547 -7.108 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -15.344 -8.779 -5.866 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -16.949 -10.185 -8.704 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -16.398 -10.464 -7.049 1.00 0.00 H new ATOM 27 N GLN C 3 -16.521 -6.231 -3.636 1.00 0.00 N ATOM 28 CA GLN C 3 -16.077 -5.745 -2.334 1.00 0.00 C ATOM 29 C GLN C 3 -17.249 -5.686 -1.374 1.00 0.00 C ATOM 30 O GLN C 3 -17.247 -4.938 -0.400 1.00 0.00 O ATOM 31 CB GLN C 3 -15.440 -4.368 -2.434 1.00 0.00 C ATOM 32 CG GLN C 3 -14.089 -4.346 -3.120 1.00 0.00 C ATOM 33 CD GLN C 3 -14.223 -4.171 -4.620 1.00 0.00 C ATOM 34 OE1 GLN C 3 -14.243 -3.051 -5.126 1.00 0.00 O ATOM 35 NE2 GLN C 3 -14.331 -5.279 -5.337 1.00 0.00 N ATOM 0 H GLN C 3 -16.729 -5.497 -4.313 1.00 0.00 H new ATOM 0 HA GLN C 3 -15.326 -6.442 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -16.118 -3.707 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -15.329 -3.959 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -13.487 -3.534 -2.712 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -13.558 -5.274 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -14.310 -6.189 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -14.436 -5.223 -6.350 1.00 0.00 H new ATOM 44 N LYS C 4 -18.250 -6.478 -1.686 1.00 0.00 N ATOM 45 CA LYS C 4 -19.475 -6.556 -0.914 1.00 0.00 C ATOM 46 C LYS C 4 -19.176 -6.867 0.556 1.00 0.00 C ATOM 47 O LYS C 4 -19.854 -6.371 1.458 1.00 0.00 O ATOM 48 CB LYS C 4 -20.377 -7.624 -1.534 1.00 0.00 C ATOM 49 CG LYS C 4 -21.738 -7.747 -0.866 1.00 0.00 C ATOM 50 CD LYS C 4 -22.536 -8.914 -1.428 1.00 0.00 C ATOM 51 CE LYS C 4 -21.961 -10.253 -0.989 1.00 0.00 C ATOM 52 NZ LYS C 4 -22.077 -10.450 0.481 1.00 0.00 N1+ ATOM 0 H LYS C 4 -18.238 -7.097 -2.496 1.00 0.00 H new ATOM 0 HA LYS C 4 -19.986 -5.594 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -20.521 -7.395 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -19.870 -8.588 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -21.606 -7.880 0.208 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -22.297 -6.822 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -23.572 -8.838 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -22.542 -8.860 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -22.482 -11.059 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -20.913 -10.312 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -21.916 -11.451 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -21.367 -9.865 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -23.029 -10.171 0.795 1.00 0.00 H new ATOM 66 N ALA C 5 -18.161 -7.691 0.790 1.00 0.00 N ATOM 67 CA ALA C 5 -17.689 -7.957 2.142 1.00 0.00 C ATOM 68 C ALA C 5 -16.602 -6.963 2.531 1.00 0.00 C ATOM 69 O ALA C 5 -16.811 -6.083 3.366 1.00 0.00 O ATOM 70 CB ALA C 5 -17.181 -9.384 2.260 1.00 0.00 C ATOM 0 H ALA C 5 -17.649 -8.186 0.060 1.00 0.00 H new ATOM 0 HA ALA C 5 -18.526 -7.837 2.830 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -16.833 -9.563 3.277 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -17.988 -10.078 2.025 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -16.357 -9.536 1.562 1.00 0.00 H new ATOM 76 N LEU C 6 -15.447 -7.108 1.909 1.00 0.00 N ATOM 77 CA LEU C 6 -14.333 -6.192 2.124 1.00 0.00 C ATOM 78 C LEU C 6 -14.401 -5.041 1.128 1.00 0.00 C ATOM 79 O LEU C 6 -13.913 -5.160 0.007 1.00 0.00 O ATOM 80 CB LEU C 6 -12.995 -6.924 1.989 1.00 0.00 C ATOM 81 CG LEU C 6 -12.708 -7.975 3.062 1.00 0.00 C ATOM 82 CD1 LEU C 6 -11.399 -8.688 2.765 1.00 0.00 C ATOM 83 CD2 LEU C 6 -12.661 -7.336 4.443 1.00 0.00 C ATOM 0 H LEU C 6 -15.251 -7.857 1.245 1.00 0.00 H new ATOM 0 HA LEU C 6 -14.407 -5.793 3.136 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -12.963 -7.408 1.013 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -12.194 -6.185 2.005 1.00 0.00 H new ATOM 0 HG LEU C 6 -13.516 -8.707 3.051 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -11.207 -9.433 3.537 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -11.464 -9.179 1.794 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -10.585 -7.963 2.750 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -12.456 -8.101 5.191 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -11.874 -6.583 4.469 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -13.620 -6.866 4.659 1.00 0.00 H new ATOM 95 N GLU C 7 -14.979 -3.925 1.568 1.00 0.00 N ATOM 96 CA GLU C 7 -15.287 -2.781 0.699 1.00 0.00 C ATOM 97 C GLU C 7 -14.053 -2.175 0.021 1.00 0.00 C ATOM 98 O GLU C 7 -14.179 -1.473 -0.978 1.00 0.00 O ATOM 99 CB GLU C 7 -15.983 -1.690 1.508 1.00 0.00 C ATOM 100 CG GLU C 7 -17.357 -2.088 2.017 1.00 0.00 C ATOM 101 CD GLU C 7 -18.027 -0.973 2.786 1.00 0.00 C ATOM 102 OE1 GLU C 7 -18.707 -0.133 2.157 1.00 0.00 O ATOM 103 OE2 GLU C 7 -17.870 -0.923 4.027 1.00 0.00 O1- ATOM 0 H GLU C 7 -15.250 -3.784 2.541 1.00 0.00 H new ATOM 0 HA GLU C 7 -15.935 -3.166 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -15.354 -1.423 2.357 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -16.079 -0.797 0.890 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -17.986 -2.374 1.174 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -17.265 -2.965 2.658 1.00 0.00 H new ATOM 110 N GLU C 8 -12.874 -2.466 0.544 1.00 0.00 N ATOM 111 CA GLU C 8 -11.653 -1.752 0.158 1.00 0.00 C ATOM 112 C GLU C 8 -10.441 -2.674 0.219 1.00 0.00 C ATOM 113 O GLU C 8 -9.412 -2.414 -0.397 1.00 0.00 O ATOM 114 CB GLU C 8 -11.401 -0.575 1.115 1.00 0.00 C ATOM 115 CG GLU C 8 -12.558 0.404 1.236 1.00 0.00 C ATOM 116 CD GLU C 8 -12.388 1.380 2.383 1.00 0.00 C ATOM 117 OE1 GLU C 8 -12.871 1.081 3.497 1.00 0.00 O ATOM 118 OE2 GLU C 8 -11.794 2.456 2.178 1.00 0.00 O1- ATOM 0 H GLU C 8 -12.729 -3.195 1.242 1.00 0.00 H new ATOM 0 HA GLU C 8 -11.792 -1.392 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -11.173 -0.971 2.105 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -10.518 -0.033 0.778 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -12.655 0.960 0.304 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -13.485 -0.152 1.374 1.00 0.00 H new ATOM 125 N GLN C 9 -10.588 -3.761 0.957 1.00 0.00 N ATOM 126 CA GLN C 9 -9.450 -4.574 1.380 1.00 0.00 C ATOM 127 C GLN C 9 -9.451 -5.951 0.730 1.00 0.00 C ATOM 128 O GLN C 9 -8.828 -6.880 1.240 1.00 0.00 O ATOM 129 CB GLN C 9 -9.444 -4.711 2.904 1.00 0.00 C ATOM 130 CG GLN C 9 -9.356 -3.378 3.627 1.00 0.00 C ATOM 131 CD GLN C 9 -9.461 -3.516 5.131 1.00 0.00 C ATOM 132 OE1 GLN C 9 -8.455 -3.652 5.828 1.00 0.00 O ATOM 133 NE2 GLN C 9 -10.678 -3.485 5.641 1.00 0.00 N ATOM 0 H GLN C 9 -11.491 -4.107 1.280 1.00 0.00 H new ATOM 0 HA GLN C 9 -8.544 -4.063 1.053 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -10.350 -5.228 3.219 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -8.601 -5.335 3.202 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -8.411 -2.896 3.376 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.152 -2.724 3.271 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -11.485 -3.371 5.028 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -10.811 -3.575 6.648 1.00 0.00 H new ATOM 142 N MET C 10 -10.181 -6.089 -0.368 1.00 0.00 N ATOM 143 CA MET C 10 -10.256 -7.362 -1.085 1.00 0.00 C ATOM 144 C MET C 10 -8.905 -7.773 -1.685 1.00 0.00 C ATOM 145 O MET C 10 -7.880 -7.141 -1.416 1.00 0.00 O ATOM 146 CB MET C 10 -11.316 -7.300 -2.185 1.00 0.00 C ATOM 147 CG MET C 10 -12.691 -7.761 -1.733 1.00 0.00 C ATOM 148 SD MET C 10 -12.669 -9.453 -1.104 1.00 0.00 S ATOM 149 CE MET C 10 -14.410 -9.723 -0.785 1.00 0.00 C ATOM 0 H MET C 10 -10.731 -5.338 -0.785 1.00 0.00 H new ATOM 0 HA MET C 10 -10.537 -8.120 -0.354 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.388 -6.276 -2.551 1.00 0.00 H new ATOM 0 HB3 MET C 10 -10.993 -7.917 -3.024 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.060 -7.091 -0.956 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.388 -7.695 -2.569 1.00 0.00 H new ATOM 0 HE1 MET C 10 -14.527 -10.292 0.137 1.00 0.00 H new ATOM 0 HE2 MET C 10 -14.915 -8.762 -0.685 1.00 0.00 H new ATOM 0 HE3 MET C 10 -14.850 -10.279 -1.613 1.00 0.00 H new ATOM 159 N ASN C 11 -8.927 -8.826 -2.512 1.00 0.00 N ATOM 160 CA ASN C 11 -7.712 -9.447 -3.071 1.00 0.00 C ATOM 161 C ASN C 11 -6.692 -8.423 -3.551 1.00 0.00 C ATOM 162 O ASN C 11 -5.488 -8.639 -3.398 1.00 0.00 O ATOM 163 CB ASN C 11 -8.070 -10.368 -4.240 1.00 0.00 C ATOM 164 CG ASN C 11 -9.073 -11.438 -3.863 1.00 0.00 C ATOM 165 OD1 ASN C 11 -10.285 -11.235 -3.982 1.00 0.00 O ATOM 166 ND2 ASN C 11 -8.581 -12.579 -3.412 1.00 0.00 N ATOM 0 H ASN C 11 -9.791 -9.276 -2.816 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.262 -10.018 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.475 -9.770 -5.056 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.162 -10.843 -4.612 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.211 -13.336 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -7.572 -12.702 -3.330 1.00 0.00 H new ATOM 173 N SER C 12 -7.182 -7.321 -4.118 1.00 0.00 N ATOM 174 CA SER C 12 -6.332 -6.254 -4.634 1.00 0.00 C ATOM 175 C SER C 12 -5.180 -5.933 -3.684 1.00 0.00 C ATOM 176 O SER C 12 -4.018 -5.964 -4.082 1.00 0.00 O ATOM 177 CB SER C 12 -7.157 -4.989 -4.869 1.00 0.00 C ATOM 178 OG SER C 12 -8.192 -5.214 -5.810 1.00 0.00 O ATOM 0 H SER C 12 -8.180 -7.145 -4.232 1.00 0.00 H new ATOM 0 HA SER C 12 -5.910 -6.605 -5.576 1.00 0.00 H new ATOM 0 HB2 SER C 12 -7.588 -4.653 -3.926 1.00 0.00 H new ATOM 0 HB3 SER C 12 -6.507 -4.190 -5.225 1.00 0.00 H new ATOM 0 HG SER C 12 -8.467 -4.360 -6.205 1.00 0.00 H new ATOM 184 N ILE C 13 -5.501 -5.647 -2.428 1.00 0.00 N ATOM 185 CA ILE C 13 -4.481 -5.236 -1.475 1.00 0.00 C ATOM 186 C ILE C 13 -3.899 -6.432 -0.726 1.00 0.00 C ATOM 187 O ILE C 13 -2.812 -6.349 -0.163 1.00 0.00 O ATOM 188 CB ILE C 13 -5.019 -4.213 -0.450 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.774 -4.909 0.682 1.00 0.00 C ATOM 190 CG2 ILE C 13 -5.927 -3.206 -1.141 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.896 -4.055 1.920 1.00 0.00 C ATOM 0 H ILE C 13 -6.447 -5.691 -2.050 1.00 0.00 H new ATOM 0 HA ILE C 13 -3.695 -4.761 -2.062 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.167 -3.689 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -6.771 -5.180 0.334 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.262 -5.837 0.936 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.300 -2.490 -0.409 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -5.365 -2.678 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.767 -3.728 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -6.441 -4.603 2.688 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -4.901 -3.806 2.289 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.434 -3.138 1.678 1.00 0.00 H new ATOM 203 N ASN C 14 -4.622 -7.544 -0.716 1.00 0.00 N ATOM 204 CA ASN C 14 -4.183 -8.726 0.027 1.00 0.00 C ATOM 205 C ASN C 14 -2.960 -9.341 -0.618 1.00 0.00 C ATOM 206 O ASN C 14 -1.986 -9.663 0.061 1.00 0.00 O ATOM 207 CB ASN C 14 -5.262 -9.788 0.078 1.00 0.00 C ATOM 208 CG ASN C 14 -6.554 -9.324 0.722 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.635 -9.772 0.345 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.457 -8.455 1.714 1.00 0.00 N ATOM 0 H ASN C 14 -5.508 -7.656 -1.208 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.954 -8.389 1.038 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.474 -10.125 -0.937 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.883 -10.650 0.627 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.297 -8.134 2.195 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.542 -8.106 1.998 1.00 0.00 H new ATOM 217 N SER C 15 -3.020 -9.518 -1.934 1.00 0.00 N ATOM 218 CA SER C 15 -1.884 -10.043 -2.675 1.00 0.00 C ATOM 219 C SER C 15 -0.678 -9.148 -2.441 1.00 0.00 C ATOM 220 O SER C 15 0.452 -9.617 -2.356 1.00 0.00 O ATOM 221 CB SER C 15 -2.212 -10.120 -4.170 1.00 0.00 C ATOM 222 OG SER C 15 -2.708 -8.878 -4.641 1.00 0.00 O ATOM 0 H SER C 15 -3.839 -9.306 -2.504 1.00 0.00 H new ATOM 0 HA SER C 15 -1.658 -11.050 -2.325 1.00 0.00 H new ATOM 0 HB2 SER C 15 -1.318 -10.395 -4.729 1.00 0.00 H new ATOM 0 HB3 SER C 15 -2.951 -10.902 -4.345 1.00 0.00 H new ATOM 0 HG SER C 15 -3.641 -8.771 -4.362 1.00 0.00 H new ATOM 228 N VAL C 16 -0.953 -7.858 -2.304 1.00 0.00 N ATOM 229 CA VAL C 16 0.067 -6.878 -1.988 1.00 0.00 C ATOM 230 C VAL C 16 0.577 -7.075 -0.564 1.00 0.00 C ATOM 231 O VAL C 16 1.775 -6.948 -0.308 1.00 0.00 O ATOM 232 CB VAL C 16 -0.473 -5.441 -2.152 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.611 -4.419 -1.862 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.028 -5.242 -3.552 1.00 0.00 C ATOM 0 H VAL C 16 -1.889 -7.466 -2.409 1.00 0.00 H new ATOM 0 HA VAL C 16 0.891 -7.022 -2.686 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.278 -5.295 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL C 16 0.206 -3.414 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.966 -4.545 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL C 16 1.441 -4.562 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -1.405 -4.224 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -0.238 -5.410 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -1.840 -5.948 -3.725 1.00 0.00 H new ATOM 244 N ASN C 17 -0.319 -7.431 0.359 1.00 0.00 N ATOM 245 CA ASN C 17 0.083 -7.613 1.753 1.00 0.00 C ATOM 246 C ASN C 17 0.984 -8.829 1.875 1.00 0.00 C ATOM 247 O ASN C 17 1.978 -8.816 2.604 1.00 0.00 O ATOM 248 CB ASN C 17 -1.131 -7.773 2.677 1.00 0.00 C ATOM 249 CG ASN C 17 -1.632 -6.454 3.247 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.171 -6.003 4.297 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.582 -5.829 2.571 1.00 0.00 N ATOM 0 H ASN C 17 -1.308 -7.596 0.171 1.00 0.00 H new ATOM 0 HA ASN C 17 0.624 -6.719 2.063 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.939 -8.252 2.124 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.868 -8.439 3.499 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.956 -4.945 2.916 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.941 -6.231 1.705 1.00 0.00 H new ATOM 258 N ASP C 18 0.642 -9.867 1.127 1.00 0.00 N ATOM 259 CA ASP C 18 1.406 -11.105 1.125 1.00 0.00 C ATOM 260 C ASP C 18 2.665 -10.979 0.281 1.00 0.00 C ATOM 261 O ASP C 18 3.595 -11.770 0.423 1.00 0.00 O ATOM 262 CB ASP C 18 0.551 -12.259 0.597 1.00 0.00 C ATOM 263 CG ASP C 18 -0.517 -12.687 1.578 1.00 0.00 C ATOM 264 OD1 ASP C 18 -0.157 -13.209 2.655 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.718 -12.519 1.275 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.168 -9.875 0.508 1.00 0.00 H new ATOM 0 HA ASP C 18 1.699 -11.311 2.154 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.080 -11.959 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.194 -13.110 0.372 1.00 0.00 H new ATOM 270 N LYS C 19 2.703 -9.981 -0.588 1.00 0.00 N ATOM 271 CA LYS C 19 3.823 -9.823 -1.500 1.00 0.00 C ATOM 272 C LYS C 19 4.895 -8.955 -0.875 1.00 0.00 C ATOM 273 O LYS C 19 6.077 -9.252 -0.978 1.00 0.00 O ATOM 274 CB LYS C 19 3.374 -9.211 -2.826 1.00 0.00 C ATOM 275 CG LYS C 19 4.503 -9.074 -3.830 1.00 0.00 C ATOM 276 CD LYS C 19 4.030 -8.467 -5.136 1.00 0.00 C ATOM 277 CE LYS C 19 5.153 -8.432 -6.162 1.00 0.00 C ATOM 278 NZ LYS C 19 6.338 -7.688 -5.660 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.975 -9.272 -0.680 1.00 0.00 H new ATOM 0 HA LYS C 19 4.232 -10.814 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.586 -9.829 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.942 -8.228 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS C 19 5.292 -8.453 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS C 19 4.938 -10.055 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS C 19 3.193 -9.046 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.663 -7.456 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS C 19 5.445 -9.451 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS C 19 4.793 -7.966 -7.079 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 7.018 -7.554 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 6.038 -6.760 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 6.788 -8.228 -4.894 1.00 0.00 H new ATOM 292 N LEU C 20 4.471 -7.883 -0.228 1.00 0.00 N ATOM 293 CA LEU C 20 5.396 -6.962 0.408 1.00 0.00 C ATOM 294 C LEU C 20 6.024 -7.594 1.642 1.00 0.00 C ATOM 295 O LEU C 20 7.170 -7.318 1.981 1.00 0.00 O ATOM 296 CB LEU C 20 4.682 -5.666 0.770 1.00 0.00 C ATOM 297 CG LEU C 20 4.172 -4.855 -0.425 1.00 0.00 C ATOM 298 CD1 LEU C 20 3.637 -3.515 0.036 1.00 0.00 C ATOM 299 CD2 LEU C 20 5.271 -4.663 -1.460 1.00 0.00 C ATOM 0 H LEU C 20 3.488 -7.629 -0.129 1.00 0.00 H new ATOM 0 HA LEU C 20 6.196 -6.733 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.837 -5.902 1.417 1.00 0.00 H new ATOM 0 HB3 LEU C 20 5.363 -5.043 1.349 1.00 0.00 H new ATOM 0 HG LEU C 20 3.360 -5.412 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU C 20 3.278 -2.951 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.815 -3.672 0.735 1.00 0.00 H new ATOM 0 HD13 LEU C 20 4.432 -2.956 0.530 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.884 -4.084 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU C 20 6.108 -4.131 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.609 -5.636 -1.816 1.00 0.00 H new ATOM 311 N ASN C 21 5.272 -8.452 2.310 1.00 0.00 N ATOM 312 CA ASN C 21 5.810 -9.215 3.425 1.00 0.00 C ATOM 313 C ASN C 21 6.597 -10.413 2.893 1.00 0.00 C ATOM 314 O ASN C 21 6.158 -11.561 2.997 1.00 0.00 O ATOM 315 CB ASN C 21 4.687 -9.663 4.371 1.00 0.00 C ATOM 316 CG ASN C 21 4.329 -8.596 5.398 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.929 -8.540 6.470 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.345 -7.749 5.098 1.00 0.00 N ATOM 0 H ASN C 21 4.291 -8.638 2.102 1.00 0.00 H new ATOM 0 HA ASN C 21 6.486 -8.581 3.999 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.801 -9.912 3.786 1.00 0.00 H new ATOM 0 HB3 ASN C 21 4.993 -10.572 4.888 1.00 0.00 H new ATOM 0 HD21 ASN C 21 3.071 -7.029 5.766 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.866 -7.821 4.200 1.00 0.00 H new ATOM 325 N LYS C 22 7.759 -10.126 2.302 1.00 0.00 N ATOM 326 CA LYS C 22 8.576 -11.150 1.647 1.00 0.00 C ATOM 327 C LYS C 22 9.861 -11.469 2.414 1.00 0.00 C ATOM 328 O LYS C 22 10.249 -12.634 2.520 1.00 0.00 O ATOM 329 CB LYS C 22 8.911 -10.738 0.202 1.00 0.00 C ATOM 330 CG LYS C 22 8.847 -9.235 -0.078 1.00 0.00 C ATOM 331 CD LYS C 22 10.051 -8.462 0.446 1.00 0.00 C ATOM 332 CE LYS C 22 9.842 -6.961 0.275 1.00 0.00 C ATOM 333 NZ LYS C 22 9.588 -6.594 -1.143 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.157 -9.188 2.264 1.00 0.00 H new ATOM 0 HA LYS C 22 7.976 -12.060 1.635 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.913 -11.094 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.223 -11.247 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.766 -9.078 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.941 -8.829 0.373 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.209 -8.695 1.499 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.949 -8.773 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS C 22 9.001 -6.639 0.889 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.722 -6.429 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.620 -5.559 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 10.316 -7.024 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.650 -6.941 -1.429 1.00 0.00 H new ATOM 347 N GLY C 23 10.512 -10.450 2.949 1.00 0.00 N ATOM 348 CA GLY C 23 11.780 -10.650 3.627 1.00 0.00 C ATOM 349 C GLY C 23 12.268 -9.370 4.254 1.00 0.00 C ATOM 350 O GLY C 23 12.310 -9.245 5.476 1.00 0.00 O ATOM 0 H GLY C 23 10.186 -9.484 2.927 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.668 -11.415 4.395 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.522 -11.017 2.917 1.00 0.00 H new ATOM 354 N LYS C 24 12.652 -8.417 3.426 1.00 0.00 N ATOM 355 CA LYS C 24 12.871 -7.066 3.880 1.00 0.00 C ATOM 356 C LYS C 24 11.611 -6.264 3.587 1.00 0.00 C ATOM 357 O LYS C 24 10.603 -6.854 3.201 1.00 0.00 O ATOM 358 CB LYS C 24 14.069 -6.480 3.151 1.00 0.00 C ATOM 359 CG LYS C 24 14.736 -5.342 3.883 1.00 0.00 C ATOM 360 CD LYS C 24 16.037 -4.989 3.219 1.00 0.00 C ATOM 361 CE LYS C 24 17.115 -6.028 3.493 1.00 0.00 C ATOM 362 NZ LYS C 24 17.337 -6.231 4.950 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.818 -8.560 2.430 1.00 0.00 H new ATOM 0 HA LYS C 24 13.079 -7.040 4.950 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.801 -7.270 2.984 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.749 -6.129 2.170 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.078 -4.473 3.895 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.914 -5.622 4.921 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.883 -4.900 2.144 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.373 -4.015 3.574 1.00 0.00 H new ATOM 0 HE2 LYS C 24 16.830 -6.975 3.034 1.00 0.00 H new ATOM 0 HE3 LYS C 24 18.048 -5.715 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.284 -6.633 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.264 -5.318 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 16.618 -6.884 5.323 1.00 0.00 H new ATOM 376 N GLY C 25 11.668 -4.959 3.838 1.00 0.00 N ATOM 377 CA GLY C 25 10.659 -4.008 3.374 1.00 0.00 C ATOM 378 C GLY C 25 9.264 -4.529 3.240 1.00 0.00 C ATOM 379 O GLY C 25 8.856 -4.973 2.172 1.00 0.00 O ATOM 0 H GLY C 25 12.421 -4.527 4.373 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.643 -3.164 4.063 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.974 -3.622 2.404 1.00 0.00 H new ATOM 383 N LYS C 26 8.510 -4.424 4.296 1.00 0.00 N ATOM 384 CA LYS C 26 7.165 -4.936 4.271 1.00 0.00 C ATOM 385 C LYS C 26 6.165 -3.898 4.737 1.00 0.00 C ATOM 386 O LYS C 26 6.297 -3.319 5.815 1.00 0.00 O ATOM 387 CB LYS C 26 7.098 -6.211 5.085 1.00 0.00 C ATOM 388 CG LYS C 26 7.505 -6.053 6.533 1.00 0.00 C ATOM 389 CD LYS C 26 8.159 -7.322 7.025 1.00 0.00 C ATOM 390 CE LYS C 26 9.605 -7.381 6.579 1.00 0.00 C ATOM 391 NZ LYS C 26 10.200 -8.707 6.866 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.796 -3.995 5.176 1.00 0.00 H new ATOM 0 HA LYS C 26 6.891 -5.173 3.243 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.080 -6.598 5.047 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.741 -6.958 4.620 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.194 -5.215 6.637 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.631 -5.824 7.143 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.106 -7.367 8.113 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.619 -8.188 6.643 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.668 -7.175 5.510 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.177 -6.605 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 11.175 -8.736 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.207 -8.869 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.637 -9.448 6.402 1.00 0.00 H new ATOM 405 N LEU C 27 5.184 -3.660 3.889 1.00 0.00 N ATOM 406 CA LEU C 27 4.167 -2.662 4.139 1.00 0.00 C ATOM 407 C LEU C 27 2.856 -3.357 4.484 1.00 0.00 C ATOM 408 O LEU C 27 2.301 -4.082 3.661 1.00 0.00 O ATOM 409 CB LEU C 27 3.990 -1.798 2.881 1.00 0.00 C ATOM 410 CG LEU C 27 3.608 -0.333 3.106 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.581 0.415 1.782 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.266 -0.217 3.794 1.00 0.00 C ATOM 0 H LEU C 27 5.071 -4.156 3.005 1.00 0.00 H new ATOM 0 HA LEU C 27 4.464 -2.026 4.973 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.921 -1.825 2.315 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.224 -2.258 2.256 1.00 0.00 H new ATOM 0 HG LEU C 27 4.362 0.114 3.753 1.00 0.00 H new ATOM 0 HD11 LEU C 27 3.308 1.456 1.957 1.00 0.00 H new ATOM 0 HD12 LEU C 27 4.567 0.372 1.319 1.00 0.00 H new ATOM 0 HD13 LEU C 27 2.849 -0.045 1.119 1.00 0.00 H new ATOM 0 HD21 LEU C 27 2.022 0.835 3.940 1.00 0.00 H new ATOM 0 HD22 LEU C 27 1.499 -0.685 3.177 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.309 -0.717 4.761 1.00 0.00 H new ATOM 424 N SER C 28 2.384 -3.167 5.701 1.00 0.00 N ATOM 425 CA SER C 28 1.090 -3.695 6.095 1.00 0.00 C ATOM 426 C SER C 28 0.009 -2.689 5.704 1.00 0.00 C ATOM 427 O SER C 28 -0.032 -1.584 6.241 1.00 0.00 O ATOM 428 CB SER C 28 1.061 -3.936 7.604 1.00 0.00 C ATOM 429 OG SER C 28 -0.104 -4.641 7.995 1.00 0.00 O ATOM 0 H SER C 28 2.875 -2.653 6.433 1.00 0.00 H new ATOM 0 HA SER C 28 0.909 -4.644 5.590 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.945 -4.500 7.900 1.00 0.00 H new ATOM 0 HB3 SER C 28 1.102 -2.981 8.127 1.00 0.00 H new ATOM 0 HG SER C 28 -0.092 -4.781 8.965 1.00 0.00 H new ATOM 435 N LEU C 29 -0.853 -3.058 4.767 1.00 0.00 N ATOM 436 CA LEU C 29 -1.832 -2.120 4.227 1.00 0.00 C ATOM 437 C LEU C 29 -3.234 -2.521 4.621 1.00 0.00 C ATOM 438 O LEU C 29 -3.668 -3.642 4.346 1.00 0.00 O ATOM 439 CB LEU C 29 -1.717 -2.049 2.699 1.00 0.00 C ATOM 440 CG LEU C 29 -0.313 -2.303 2.139 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.187 -3.731 1.642 1.00 0.00 C ATOM 442 CD2 LEU C 29 0.016 -1.324 1.027 1.00 0.00 C ATOM 0 H LEU C 29 -0.896 -3.995 4.365 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.624 -1.135 4.644 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.402 -2.778 2.265 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -2.049 -1.064 2.371 1.00 0.00 H new ATOM 0 HG LEU C 29 0.403 -2.151 2.947 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.817 -3.892 1.248 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -0.368 -4.421 2.466 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.919 -3.908 0.854 1.00 0.00 H new ATOM 0 HD21 LEU C 29 1.018 -1.527 0.648 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -0.707 -1.435 0.219 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.026 -0.306 1.414 1.00 0.00 H new ATOM 454 N SER C 30 -3.941 -1.610 5.278 1.00 0.00 N ATOM 455 CA SER C 30 -5.301 -1.883 5.674 1.00 0.00 C ATOM 456 C SER C 30 -6.133 -0.604 5.754 1.00 0.00 C ATOM 457 O SER C 30 -5.638 0.447 6.170 1.00 0.00 O ATOM 458 CB SER C 30 -5.310 -2.616 7.013 1.00 0.00 C ATOM 459 OG SER C 30 -4.456 -1.974 7.946 1.00 0.00 O ATOM 0 H SER C 30 -3.593 -0.688 5.542 1.00 0.00 H new ATOM 0 HA SER C 30 -5.757 -2.517 4.913 1.00 0.00 H new ATOM 0 HB2 SER C 30 -6.326 -2.650 7.407 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.989 -3.648 6.870 1.00 0.00 H new ATOM 0 HG SER C 30 -4.367 -1.027 7.710 1.00 0.00 H new ATOM 465 N MET C 31 -7.396 -0.706 5.350 1.00 0.00 N ATOM 466 CA MET C 31 -8.310 0.427 5.391 1.00 0.00 C ATOM 467 C MET C 31 -9.165 0.370 6.645 1.00 0.00 C ATOM 468 O MET C 31 -9.681 -0.687 7.012 1.00 0.00 O ATOM 469 CB MET C 31 -9.231 0.452 4.164 1.00 0.00 C ATOM 470 CG MET C 31 -8.539 0.792 2.853 1.00 0.00 C ATOM 471 SD MET C 31 -7.511 -0.549 2.223 1.00 0.00 S ATOM 472 CE MET C 31 -7.039 0.117 0.629 1.00 0.00 C ATOM 0 H MET C 31 -7.809 -1.566 4.989 1.00 0.00 H new ATOM 0 HA MET C 31 -7.703 1.333 5.393 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.707 -0.524 4.065 1.00 0.00 H new ATOM 0 HB3 MET C 31 -10.025 1.178 4.338 1.00 0.00 H new ATOM 0 HG2 MET C 31 -9.292 1.045 2.107 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.921 1.679 2.995 1.00 0.00 H new ATOM 0 HE1 MET C 31 -6.082 -0.307 0.326 1.00 0.00 H new ATOM 0 HE2 MET C 31 -7.798 -0.137 -0.111 1.00 0.00 H new ATOM 0 HE3 MET C 31 -6.949 1.201 0.700 1.00 0.00 H new ATOM 482 N ASN C 32 -9.309 1.509 7.300 1.00 0.00 N ATOM 483 CA ASN C 32 -10.118 1.606 8.505 1.00 0.00 C ATOM 484 C ASN C 32 -10.925 2.894 8.504 1.00 0.00 C ATOM 485 O ASN C 32 -10.452 3.944 8.947 1.00 0.00 O ATOM 486 CB ASN C 32 -9.239 1.528 9.757 1.00 0.00 C ATOM 487 CG ASN C 32 -8.749 0.119 10.031 1.00 0.00 C ATOM 488 OD1 ASN C 32 -7.731 -0.315 9.493 1.00 0.00 O ATOM 489 ND2 ASN C 32 -9.468 -0.607 10.872 1.00 0.00 N ATOM 0 H ASN C 32 -8.873 2.386 7.016 1.00 0.00 H new ATOM 0 HA ASN C 32 -10.810 0.764 8.518 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -8.382 2.191 9.638 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -9.804 1.887 10.617 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -9.184 -1.561 11.094 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.306 -0.212 11.298 1.00 0.00 H new ATOM 496 N GLY C 33 -12.138 2.806 7.978 1.00 0.00 N ATOM 497 CA GLY C 33 -13.030 3.945 7.940 1.00 0.00 C ATOM 498 C GLY C 33 -12.605 4.980 6.917 1.00 0.00 C ATOM 499 O GLY C 33 -12.952 4.875 5.742 1.00 0.00 O ATOM 0 H GLY C 33 -12.524 1.953 7.572 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.040 3.604 7.710 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.066 4.407 8.926 1.00 0.00 H new ATOM 503 N ASN C 34 -11.851 5.972 7.361 1.00 0.00 N ATOM 504 CA ASN C 34 -11.375 7.037 6.489 1.00 0.00 C ATOM 505 C ASN C 34 -9.857 7.060 6.489 1.00 0.00 C ATOM 506 O ASN C 34 -9.236 8.112 6.334 1.00 0.00 O ATOM 507 CB ASN C 34 -11.903 8.398 6.959 1.00 0.00 C ATOM 508 CG ASN C 34 -11.558 8.688 8.413 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.415 8.621 9.293 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.289 8.950 8.682 1.00 0.00 N ATOM 0 H ASN C 34 -11.552 6.063 8.332 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.741 6.846 5.480 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.487 9.183 6.327 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.985 8.427 6.833 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -9.993 9.104 9.646 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.607 8.998 7.925 1.00 0.00 H new ATOM 517 N GLN C 35 -9.259 5.902 6.678 1.00 0.00 N ATOM 518 CA GLN C 35 -7.831 5.824 6.883 1.00 0.00 C ATOM 519 C GLN C 35 -7.213 4.593 6.238 1.00 0.00 C ATOM 520 O GLN C 35 -7.769 3.500 6.292 1.00 0.00 O ATOM 521 CB GLN C 35 -7.530 5.798 8.379 1.00 0.00 C ATOM 522 CG GLN C 35 -6.053 5.639 8.685 1.00 0.00 C ATOM 523 CD GLN C 35 -5.767 5.499 10.167 1.00 0.00 C ATOM 524 OE1 GLN C 35 -4.801 4.857 10.561 1.00 0.00 O ATOM 525 NE2 GLN C 35 -6.600 6.104 11.000 1.00 0.00 N ATOM 0 H GLN C 35 -9.741 5.003 6.694 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.393 6.704 6.411 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -7.892 6.721 8.833 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.081 4.979 8.840 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -5.672 4.762 8.163 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -5.512 6.502 8.296 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -7.394 6.630 10.635 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.448 6.044 12.007 1.00 0.00 H new ATOM 534 N LEU C 36 -6.055 4.800 5.636 1.00 0.00 N ATOM 535 CA LEU C 36 -5.170 3.716 5.266 1.00 0.00 C ATOM 536 C LEU C 36 -4.010 3.749 6.246 1.00 0.00 C ATOM 537 O LEU C 36 -3.172 4.648 6.185 1.00 0.00 O ATOM 538 CB LEU C 36 -4.669 3.891 3.820 1.00 0.00 C ATOM 539 CG LEU C 36 -3.925 2.701 3.176 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.574 2.446 3.833 1.00 0.00 C ATOM 541 CD2 LEU C 36 -4.779 1.447 3.224 1.00 0.00 C ATOM 0 H LEU C 36 -5.704 5.726 5.391 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.688 2.758 5.307 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.528 4.130 3.193 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.006 4.756 3.796 1.00 0.00 H new ATOM 0 HG LEU C 36 -3.738 2.965 2.135 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.087 1.600 3.347 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -1.947 3.332 3.732 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -2.720 2.223 4.890 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.237 0.620 2.765 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.006 1.201 4.261 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -5.708 1.618 2.680 1.00 0.00 H new ATOM 553 N LYS C 37 -3.982 2.806 7.167 1.00 0.00 N ATOM 554 CA LYS C 37 -2.924 2.769 8.159 1.00 0.00 C ATOM 555 C LYS C 37 -1.893 1.757 7.711 1.00 0.00 C ATOM 556 O LYS C 37 -2.226 0.800 7.007 1.00 0.00 O ATOM 557 CB LYS C 37 -3.463 2.396 9.546 1.00 0.00 C ATOM 558 CG LYS C 37 -4.145 1.036 9.622 1.00 0.00 C ATOM 559 CD LYS C 37 -4.515 0.695 11.058 1.00 0.00 C ATOM 560 CE LYS C 37 -5.257 -0.630 11.161 1.00 0.00 C ATOM 561 NZ LYS C 37 -4.460 -1.771 10.640 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.673 2.061 7.250 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.478 3.760 8.244 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.638 2.413 10.258 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.172 3.161 9.862 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.041 1.039 9.002 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.482 0.269 9.221 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.610 0.651 11.664 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.136 1.490 11.470 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.516 -0.818 12.203 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -6.193 -0.562 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.003 -2.652 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.249 -1.616 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -3.570 -1.845 11.173 1.00 0.00 H new ATOM 575 N ALA C 38 -0.651 1.955 8.096 1.00 0.00 N ATOM 576 CA ALA C 38 0.408 1.113 7.592 1.00 0.00 C ATOM 577 C ALA C 38 1.547 0.973 8.576 1.00 0.00 C ATOM 578 O ALA C 38 1.913 1.919 9.271 1.00 0.00 O ATOM 579 CB ALA C 38 0.918 1.673 6.280 1.00 0.00 C ATOM 0 H ALA C 38 -0.354 2.681 8.747 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.005 0.116 7.437 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.718 1.037 5.899 1.00 0.00 H new ATOM 0 HB2 ALA C 38 0.103 1.704 5.556 1.00 0.00 H new ATOM 0 HB3 ALA C 38 1.301 2.681 6.439 1.00 0.00 H new ATOM 585 N THR C 39 2.091 -0.221 8.638 1.00 0.00 N ATOM 586 CA THR C 39 3.304 -0.465 9.378 1.00 0.00 C ATOM 587 C THR C 39 4.354 -1.022 8.432 1.00 0.00 C ATOM 588 O THR C 39 4.024 -1.711 7.464 1.00 0.00 O ATOM 589 CB THR C 39 3.077 -1.444 10.545 1.00 0.00 C ATOM 590 OG1 THR C 39 2.532 -2.669 10.050 1.00 0.00 O ATOM 591 CG2 THR C 39 2.144 -0.847 11.585 1.00 0.00 C ATOM 0 H THR C 39 1.706 -1.046 8.178 1.00 0.00 H new ATOM 0 HA THR C 39 3.641 0.479 9.807 1.00 0.00 H new ATOM 0 HB THR C 39 4.038 -1.638 11.021 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.391 -3.289 10.796 1.00 0.00 H new ATOM 0 HG21 THR C 39 2.001 -1.559 12.397 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.579 0.071 11.980 1.00 0.00 H new ATOM 0 HG23 THR C 39 1.181 -0.624 11.125 1.00 0.00 H new ATOM 599 N SER C 40 5.601 -0.693 8.683 1.00 0.00 N ATOM 600 CA SER C 40 6.691 -1.192 7.876 1.00 0.00 C ATOM 601 C SER C 40 7.741 -1.817 8.771 1.00 0.00 C ATOM 602 O SER C 40 8.353 -1.142 9.601 1.00 0.00 O ATOM 603 CB SER C 40 7.286 -0.059 7.053 1.00 0.00 C ATOM 604 OG SER C 40 6.284 0.546 6.255 1.00 0.00 O ATOM 0 H SER C 40 5.887 -0.078 9.445 1.00 0.00 H new ATOM 0 HA SER C 40 6.320 -1.954 7.191 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.733 0.684 7.714 1.00 0.00 H new ATOM 0 HB3 SER C 40 8.085 -0.442 6.418 1.00 0.00 H new ATOM 0 HG SER C 40 5.693 -0.146 5.891 1.00 0.00 H new ATOM 610 N SER C 41 7.950 -3.105 8.594 1.00 0.00 N ATOM 611 CA SER C 41 8.874 -3.833 9.431 1.00 0.00 C ATOM 612 C SER C 41 10.187 -4.058 8.702 1.00 0.00 C ATOM 613 O SER C 41 10.319 -3.691 7.526 1.00 0.00 O ATOM 614 CB SER C 41 8.253 -5.157 9.868 1.00 0.00 C ATOM 615 OG SER C 41 6.983 -4.951 10.465 1.00 0.00 O ATOM 0 H SER C 41 7.491 -3.667 7.877 1.00 0.00 H new ATOM 0 HA SER C 41 9.084 -3.243 10.323 1.00 0.00 H new ATOM 0 HB2 SER C 41 8.151 -5.817 9.006 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.914 -5.657 10.576 1.00 0.00 H new ATOM 0 HG SER C 41 6.605 -5.814 10.735 1.00 0.00 H new ATOM 621 N ASN C 42 11.133 -4.681 9.403 1.00 0.00 N ATOM 622 CA ASN C 42 12.522 -4.749 8.967 1.00 0.00 C ATOM 623 C ASN C 42 13.110 -3.348 8.980 1.00 0.00 C ATOM 624 O ASN C 42 13.788 -2.928 8.041 1.00 0.00 O ATOM 625 CB ASN C 42 12.669 -5.387 7.582 1.00 0.00 C ATOM 626 CG ASN C 42 13.744 -6.461 7.551 1.00 0.00 C ATOM 627 OD1 ASN C 42 14.493 -6.574 6.587 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.805 -7.283 8.587 1.00 0.00 N ATOM 0 H ASN C 42 10.955 -5.153 10.290 1.00 0.00 H new ATOM 0 HA ASN C 42 13.068 -5.390 9.659 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.716 -5.822 7.282 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.910 -4.614 6.852 1.00 0.00 H new ATOM 0 HD21 ASN C 42 14.490 -8.038 8.599 1.00 0.00 H new ATOM 0 HD22 ASN C 42 13.167 -7.161 9.373 1.00 0.00 H new ATOM 635 N ALA C 43 12.784 -2.623 10.052 1.00 0.00 N ATOM 636 CA ALA C 43 13.287 -1.274 10.290 1.00 0.00 C ATOM 637 C ALA C 43 12.826 -0.287 9.219 1.00 0.00 C ATOM 638 O ALA C 43 13.439 0.763 9.025 1.00 0.00 O ATOM 639 CB ALA C 43 14.801 -1.284 10.401 1.00 0.00 C ATOM 0 H ALA C 43 12.158 -2.961 10.783 1.00 0.00 H new ATOM 0 HA ALA C 43 12.867 -0.933 11.236 1.00 0.00 H new ATOM 0 HB1 ALA C 43 15.160 -0.270 10.578 1.00 0.00 H new ATOM 0 HB2 ALA C 43 15.101 -1.925 11.230 1.00 0.00 H new ATOM 0 HB3 ALA C 43 15.231 -1.664 9.474 1.00 0.00 H new ATOM 645 N GLY C 44 11.745 -0.627 8.529 1.00 0.00 N ATOM 646 CA GLY C 44 11.169 0.284 7.559 1.00 0.00 C ATOM 647 C GLY C 44 12.033 0.477 6.331 1.00 0.00 C ATOM 648 O GLY C 44 11.937 1.505 5.663 1.00 0.00 O ATOM 0 H GLY C 44 11.257 -1.517 8.624 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.193 -0.092 7.252 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.003 1.251 8.033 1.00 0.00 H new ATOM 652 N TYR C 45 12.880 -0.499 6.036 1.00 0.00 N ATOM 653 CA TYR C 45 13.722 -0.435 4.847 1.00 0.00 C ATOM 654 C TYR C 45 12.948 -0.838 3.601 1.00 0.00 C ATOM 655 O TYR C 45 11.759 -1.131 3.677 1.00 0.00 O ATOM 656 CB TYR C 45 14.970 -1.302 5.006 1.00 0.00 C ATOM 657 CG TYR C 45 16.038 -0.642 5.852 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.445 -1.175 7.074 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.635 0.536 5.422 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.414 -0.549 7.833 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.604 1.163 6.176 1.00 0.00 C ATOM 662 CZ TYR C 45 17.989 0.618 7.379 1.00 0.00 C ATOM 663 OH TYR C 45 18.952 1.246 8.134 1.00 0.00 O ATOM 0 H TYR C 45 13.003 -1.341 6.599 1.00 0.00 H new ATOM 0 HA TYR C 45 14.040 0.601 4.728 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.691 -2.253 5.459 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.380 -1.526 4.021 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.996 -2.090 7.432 1.00 0.00 H new ATOM 0 HD2 TYR C 45 16.335 0.969 4.479 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.720 -0.972 8.778 1.00 0.00 H new ATOM 0 HE2 TYR C 45 18.058 2.077 5.824 1.00 0.00 H new ATOM 0 HH TYR C 45 19.255 2.055 7.671 1.00 0.00 H new ATOM 673 N GLY C 46 13.626 -0.835 2.461 1.00 0.00 N ATOM 674 CA GLY C 46 12.976 -1.130 1.199 1.00 0.00 C ATOM 675 C GLY C 46 12.956 -2.606 0.866 1.00 0.00 C ATOM 676 O GLY C 46 13.169 -3.445 1.740 1.00 0.00 O ATOM 0 H GLY C 46 14.623 -0.632 2.388 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.952 -0.758 1.230 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.487 -0.592 0.401 1.00 0.00 H new ATOM 680 N ILE C 47 12.709 -2.902 -0.408 1.00 0.00 N ATOM 681 CA ILE C 47 12.557 -4.273 -0.902 1.00 0.00 C ATOM 682 C ILE C 47 13.684 -5.169 -0.448 1.00 0.00 C ATOM 683 O ILE C 47 13.481 -6.108 0.319 1.00 0.00 O ATOM 684 CB ILE C 47 12.597 -4.329 -2.432 1.00 0.00 C ATOM 685 CG1 ILE C 47 11.830 -3.171 -3.046 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.047 -5.658 -2.932 1.00 0.00 C ATOM 687 CD1 ILE C 47 11.831 -3.188 -4.555 1.00 0.00 C ATOM 0 H ILE C 47 12.607 -2.193 -1.134 1.00 0.00 H new ATOM 0 HA ILE C 47 11.598 -4.608 -0.507 1.00 0.00 H new ATOM 0 HB ILE C 47 13.638 -4.243 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE C 47 10.800 -3.197 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE C 47 12.264 -2.233 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.083 -5.680 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE C 47 12.649 -6.474 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.015 -5.772 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE C 47 11.266 -2.334 -4.929 1.00 0.00 H new ATOM 0 HD12 ILE C 47 12.857 -3.132 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE C 47 11.371 -4.111 -4.909 1.00 0.00 H new ATOM 699 N SER C 48 14.868 -4.867 -0.967 1.00 0.00 N ATOM 700 CA SER C 48 16.034 -5.699 -0.780 1.00 0.00 C ATOM 701 C SER C 48 17.192 -5.172 -1.625 1.00 0.00 C ATOM 702 O SER C 48 18.142 -4.583 -1.107 1.00 0.00 O ATOM 703 CB SER C 48 15.706 -7.153 -1.157 1.00 0.00 C ATOM 704 OG SER C 48 15.188 -7.235 -2.481 1.00 0.00 O ATOM 0 H SER C 48 15.039 -4.034 -1.530 1.00 0.00 H new ATOM 0 HA SER C 48 16.330 -5.671 0.269 1.00 0.00 H new ATOM 0 HB2 SER C 48 16.605 -7.764 -1.076 1.00 0.00 H new ATOM 0 HB3 SER C 48 14.980 -7.559 -0.453 1.00 0.00 H new ATOM 0 HG SER C 48 14.989 -8.170 -2.697 1.00 0.00 H new ATOM 710 N TYR C 49 17.097 -5.391 -2.928 1.00 0.00 N ATOM 711 CA TYR C 49 18.114 -4.932 -3.869 1.00 0.00 C ATOM 712 C TYR C 49 17.490 -4.404 -5.173 1.00 0.00 C ATOM 713 O TYR C 49 18.141 -3.690 -5.942 1.00 0.00 O ATOM 714 CB TYR C 49 19.071 -6.094 -4.168 1.00 0.00 C ATOM 715 CG TYR C 49 20.153 -5.771 -5.187 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.181 -4.878 -4.887 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.151 -6.360 -6.452 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.163 -4.586 -5.812 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.133 -6.068 -7.375 1.00 0.00 C ATOM 720 CZ TYR C 49 22.133 -5.183 -7.053 1.00 0.00 C ATOM 721 OH TYR C 49 23.111 -4.893 -7.978 1.00 0.00 O ATOM 0 H TYR C 49 16.320 -5.888 -3.363 1.00 0.00 H new ATOM 0 HA TYR C 49 18.659 -4.103 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.546 -6.406 -3.238 1.00 0.00 H new ATOM 0 HB3 TYR C 49 18.491 -6.943 -4.529 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.209 -4.407 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.367 -7.056 -6.712 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.952 -3.892 -5.564 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.116 -6.534 -8.349 1.00 0.00 H new ATOM 0 HH TYR C 49 22.944 -5.399 -8.801 1.00 0.00 H new ATOM 731 N GLU C 50 16.225 -4.727 -5.408 1.00 0.00 N ATOM 732 CA GLU C 50 15.580 -4.429 -6.681 1.00 0.00 C ATOM 733 C GLU C 50 14.727 -3.180 -6.613 1.00 0.00 C ATOM 734 O GLU C 50 14.546 -2.601 -5.549 1.00 0.00 O ATOM 735 CB GLU C 50 14.737 -5.622 -7.135 1.00 0.00 C ATOM 736 CG GLU C 50 14.006 -6.317 -6.000 1.00 0.00 C ATOM 737 CD GLU C 50 13.276 -7.555 -6.461 1.00 0.00 C ATOM 738 OE1 GLU C 50 12.027 -7.552 -6.459 1.00 0.00 O ATOM 739 OE2 GLU C 50 13.945 -8.531 -6.853 1.00 0.00 O1- ATOM 0 H GLU C 50 15.623 -5.197 -4.732 1.00 0.00 H new ATOM 0 HA GLU C 50 16.369 -4.242 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.008 -5.282 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU C 50 15.383 -6.343 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU C 50 14.721 -6.588 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU C 50 13.294 -5.624 -5.551 1.00 0.00 H new ATOM 746 N ASP C 51 14.216 -2.785 -7.770 1.00 0.00 N ATOM 747 CA ASP C 51 13.465 -1.548 -7.921 1.00 0.00 C ATOM 748 C ASP C 51 12.048 -1.849 -8.393 1.00 0.00 C ATOM 749 O ASP C 51 11.859 -2.469 -9.441 1.00 0.00 O ATOM 750 CB ASP C 51 14.183 -0.654 -8.935 1.00 0.00 C ATOM 751 CG ASP C 51 13.578 0.726 -9.061 1.00 0.00 C ATOM 752 OD1 ASP C 51 12.539 0.867 -9.735 1.00 0.00 O ATOM 753 OD2 ASP C 51 14.161 1.684 -8.515 1.00 0.00 O1- ATOM 0 H ASP C 51 14.311 -3.317 -8.635 1.00 0.00 H new ATOM 0 HA ASP C 51 13.404 -1.035 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.229 -0.558 -8.645 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.166 -1.139 -9.911 1.00 0.00 H new ATOM 758 N LYS C 52 11.056 -1.424 -7.620 1.00 0.00 N ATOM 759 CA LYS C 52 9.673 -1.714 -7.936 1.00 0.00 C ATOM 760 C LYS C 52 8.854 -0.441 -8.033 1.00 0.00 C ATOM 761 O LYS C 52 8.961 0.457 -7.194 1.00 0.00 O ATOM 762 CB LYS C 52 9.071 -2.643 -6.886 1.00 0.00 C ATOM 763 CG LYS C 52 8.901 -4.076 -7.351 1.00 0.00 C ATOM 764 CD LYS C 52 10.220 -4.711 -7.760 1.00 0.00 C ATOM 765 CE LYS C 52 9.988 -5.951 -8.609 1.00 0.00 C ATOM 766 NZ LYS C 52 11.244 -6.706 -8.856 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.189 -0.877 -6.770 1.00 0.00 H new ATOM 0 HA LYS C 52 9.649 -2.210 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS C 52 9.706 -2.633 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.099 -2.252 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS C 52 8.450 -4.664 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS C 52 8.211 -4.102 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS C 52 10.817 -3.990 -8.319 1.00 0.00 H new ATOM 0 HD3 LYS C 52 10.791 -4.977 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS C 52 9.268 -6.600 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS C 52 9.548 -5.659 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 11.151 -7.258 -9.732 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 12.037 -6.040 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 11.425 -7.349 -8.059 1.00 0.00 H new ATOM 780 N ASN C 53 8.037 -0.384 -9.064 1.00 0.00 N ATOM 781 CA ASN C 53 7.179 0.753 -9.333 1.00 0.00 C ATOM 782 C ASN C 53 5.838 0.593 -8.630 1.00 0.00 C ATOM 783 O ASN C 53 5.084 -0.330 -8.921 1.00 0.00 O ATOM 784 CB ASN C 53 6.986 0.848 -10.843 1.00 0.00 C ATOM 785 CG ASN C 53 5.860 1.759 -11.259 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.654 2.840 -10.706 1.00 0.00 O ATOM 787 ND2 ASN C 53 5.105 1.293 -12.232 1.00 0.00 N ATOM 0 H ASN C 53 7.948 -1.135 -9.748 1.00 0.00 H new ATOM 0 HA ASN C 53 7.638 1.666 -8.955 1.00 0.00 H new ATOM 0 HB2 ASN C 53 7.912 1.201 -11.296 1.00 0.00 H new ATOM 0 HB3 ASN C 53 6.798 -0.150 -11.239 1.00 0.00 H new ATOM 0 HD21 ASN C 53 4.306 1.834 -12.561 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.320 0.391 -12.657 1.00 0.00 H new ATOM 794 N TRP C 54 5.558 1.495 -7.703 1.00 0.00 N ATOM 795 CA TRP C 54 4.372 1.415 -6.869 1.00 0.00 C ATOM 796 C TRP C 54 3.331 2.468 -7.230 1.00 0.00 C ATOM 797 O TRP C 54 3.655 3.445 -7.896 1.00 0.00 O ATOM 798 CB TRP C 54 4.792 1.629 -5.438 1.00 0.00 C ATOM 799 CG TRP C 54 4.423 0.492 -4.582 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.197 -0.559 -4.232 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.161 0.294 -3.997 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.469 -1.424 -3.440 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.203 -0.907 -3.284 1.00 0.00 C ATOM 804 CE3 TRP C 54 1.999 1.039 -4.017 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.091 -1.381 -2.589 1.00 0.00 C ATOM 806 CZ3 TRP C 54 0.912 0.581 -3.340 1.00 0.00 C ATOM 807 CH2 TRP C 54 0.960 -0.622 -2.633 1.00 0.00 C ATOM 0 H TRP C 54 6.148 2.304 -7.508 1.00 0.00 H new ATOM 0 HA TRP C 54 3.917 0.436 -7.022 1.00 0.00 H new ATOM 0 HB2 TRP C 54 5.871 1.781 -5.395 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.327 2.537 -5.055 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.226 -0.700 -4.527 1.00 0.00 H new ATOM 0 HE1 TRP C 54 4.811 -2.297 -3.039 1.00 0.00 H new ATOM 0 HE3 TRP C 54 1.954 1.971 -4.562 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.125 -2.310 -2.039 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 -0.002 1.156 -3.349 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.079 -0.960 -2.108 1.00 0.00 H new ATOM 818 N GLY C 55 2.079 2.286 -6.777 1.00 0.00 N ATOM 819 CA GLY C 55 1.093 3.323 -6.983 1.00 0.00 C ATOM 820 C GLY C 55 -0.260 3.074 -6.331 1.00 0.00 C ATOM 821 O GLY C 55 -0.718 1.942 -6.215 1.00 0.00 O ATOM 0 H GLY C 55 1.748 1.456 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.493 4.263 -6.603 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.943 3.451 -8.055 1.00 0.00 H new ATOM 825 N ILE C 56 -0.900 4.158 -5.912 1.00 0.00 N ATOM 826 CA ILE C 56 -2.236 4.098 -5.321 1.00 0.00 C ATOM 827 C ILE C 56 -3.287 4.655 -6.281 1.00 0.00 C ATOM 828 O ILE C 56 -3.130 5.757 -6.821 1.00 0.00 O ATOM 829 CB ILE C 56 -2.310 4.877 -3.980 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.583 4.120 -2.872 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.757 5.125 -3.568 1.00 0.00 C ATOM 832 CD1 ILE C 56 -0.071 4.167 -2.962 1.00 0.00 C ATOM 0 H ILE C 56 -0.513 5.100 -5.970 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.443 3.046 -5.126 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.821 5.839 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.889 4.529 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.903 3.078 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.778 5.672 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.260 5.710 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -4.269 4.171 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.360 3.603 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.251 3.729 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.265 5.203 -2.909 1.00 0.00 H new ATOM 844 N PHE C 57 -4.356 3.888 -6.486 1.00 0.00 N ATOM 845 CA PHE C 57 -5.456 4.304 -7.349 1.00 0.00 C ATOM 846 C PHE C 57 -6.796 4.132 -6.631 1.00 0.00 C ATOM 847 O PHE C 57 -7.134 3.033 -6.202 1.00 0.00 O ATOM 848 CB PHE C 57 -5.477 3.469 -8.634 1.00 0.00 C ATOM 849 CG PHE C 57 -4.170 3.439 -9.370 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.874 4.397 -10.322 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.239 2.446 -9.111 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.675 4.366 -11.003 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.038 2.410 -9.787 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.754 3.372 -10.734 1.00 0.00 C ATOM 0 H PHE C 57 -4.482 2.969 -6.062 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.305 5.355 -7.597 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.765 2.447 -8.385 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.246 3.864 -9.298 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -4.589 5.178 -10.535 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.457 1.691 -8.370 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -2.456 5.118 -11.746 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.321 1.630 -9.576 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.813 3.348 -11.264 1.00 0.00 H new ATOM 864 N VAL C 58 -7.555 5.209 -6.497 1.00 0.00 N ATOM 865 CA VAL C 58 -8.901 5.122 -5.934 1.00 0.00 C ATOM 866 C VAL C 58 -9.938 5.347 -7.032 1.00 0.00 C ATOM 867 O VAL C 58 -9.969 6.406 -7.656 1.00 0.00 O ATOM 868 CB VAL C 58 -9.119 6.122 -4.770 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.773 7.544 -5.184 1.00 0.00 C ATOM 870 CG2 VAL C 58 -10.551 6.048 -4.257 1.00 0.00 C ATOM 0 H VAL C 58 -7.268 6.150 -6.767 1.00 0.00 H new ATOM 0 HA VAL C 58 -9.020 4.121 -5.519 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.445 5.838 -3.962 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.938 8.218 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.727 7.590 -5.487 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.406 7.844 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -10.682 6.758 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -11.240 6.293 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -10.757 5.040 -3.898 1.00 0.00 H new ATOM 880 N ASN C 59 -10.763 4.331 -7.284 1.00 0.00 N ATOM 881 CA ASN C 59 -11.713 4.351 -8.404 1.00 0.00 C ATOM 882 C ASN C 59 -10.972 4.492 -9.729 1.00 0.00 C ATOM 883 O ASN C 59 -11.505 5.025 -10.703 1.00 0.00 O ATOM 884 CB ASN C 59 -12.738 5.484 -8.268 1.00 0.00 C ATOM 885 CG ASN C 59 -13.793 5.211 -7.218 1.00 0.00 C ATOM 886 OD1 ASN C 59 -14.128 4.061 -6.938 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.338 6.271 -6.643 1.00 0.00 N ATOM 0 H ASN C 59 -10.795 3.478 -6.726 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.251 3.404 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -12.217 6.408 -8.019 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.225 5.642 -9.230 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -15.065 6.151 -5.938 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.031 7.208 -6.905 1.00 0.00 H new ATOM 894 N GLY C 60 -9.738 4.008 -9.753 1.00 0.00 N ATOM 895 CA GLY C 60 -8.909 4.138 -10.932 1.00 0.00 C ATOM 896 C GLY C 60 -8.318 5.527 -11.072 1.00 0.00 C ATOM 897 O GLY C 60 -7.842 5.902 -12.142 1.00 0.00 O ATOM 0 H GLY C 60 -9.295 3.525 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.103 3.406 -10.889 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.502 3.907 -11.817 1.00 0.00 H new ATOM 901 N GLU C 61 -8.338 6.296 -9.994 1.00 0.00 N ATOM 902 CA GLU C 61 -7.791 7.642 -10.016 1.00 0.00 C ATOM 903 C GLU C 61 -6.483 7.710 -9.258 1.00 0.00 C ATOM 904 O GLU C 61 -6.274 7.010 -8.269 1.00 0.00 O ATOM 905 CB GLU C 61 -8.789 8.643 -9.449 1.00 0.00 C ATOM 906 CG GLU C 61 -9.878 9.002 -10.437 1.00 0.00 C ATOM 907 CD GLU C 61 -10.978 9.836 -9.820 1.00 0.00 C ATOM 908 OE1 GLU C 61 -11.991 9.263 -9.368 1.00 0.00 O ATOM 909 OE2 GLU C 61 -10.838 11.072 -9.778 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.727 6.011 -9.095 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.595 7.904 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.243 8.228 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.260 9.549 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -9.439 9.548 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -10.308 8.087 -10.845 1.00 0.00 H new ATOM 916 N LYS C 62 -5.622 8.580 -9.735 1.00 0.00 N ATOM 917 CA LYS C 62 -4.245 8.647 -9.296 1.00 0.00 C ATOM 918 C LYS C 62 -4.123 9.432 -7.994 1.00 0.00 C ATOM 919 O LYS C 62 -4.498 10.604 -7.927 1.00 0.00 O ATOM 920 CB LYS C 62 -3.443 9.325 -10.400 1.00 0.00 C ATOM 921 CG LYS C 62 -1.938 9.123 -10.323 1.00 0.00 C ATOM 922 CD LYS C 62 -1.535 7.717 -10.733 1.00 0.00 C ATOM 923 CE LYS C 62 -0.037 7.624 -10.970 1.00 0.00 C ATOM 924 NZ LYS C 62 0.381 6.267 -11.414 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.860 9.270 -10.448 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.865 7.643 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.795 8.954 -11.363 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -3.652 10.394 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.441 9.846 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.597 9.317 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -1.828 7.010 -9.956 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -2.068 7.433 -11.640 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.256 8.356 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS C 62 0.491 7.882 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.302 6.032 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 -0.328 5.569 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 0.462 6.250 -12.451 1.00 0.00 H new ATOM 938 N VAL C 63 -3.607 8.783 -6.959 1.00 0.00 N ATOM 939 CA VAL C 63 -3.407 9.444 -5.677 1.00 0.00 C ATOM 940 C VAL C 63 -1.924 9.653 -5.398 1.00 0.00 C ATOM 941 O VAL C 63 -1.425 10.778 -5.438 1.00 0.00 O ATOM 942 CB VAL C 63 -4.023 8.646 -4.521 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.901 9.408 -3.207 1.00 0.00 C ATOM 944 CG2 VAL C 63 -5.473 8.305 -4.812 1.00 0.00 C ATOM 0 H VAL C 63 -3.321 7.804 -6.982 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.908 10.410 -5.742 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.468 7.713 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.345 8.821 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -2.849 9.587 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -4.422 10.362 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -5.888 7.739 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -6.043 9.224 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -5.531 7.706 -5.721 1.00 0.00 H new ATOM 954 N TYR C 64 -1.222 8.561 -5.137 1.00 0.00 N ATOM 955 CA TYR C 64 0.177 8.623 -4.752 1.00 0.00 C ATOM 956 C TYR C 64 0.961 7.529 -5.467 1.00 0.00 C ATOM 957 O TYR C 64 0.446 6.437 -5.684 1.00 0.00 O ATOM 958 CB TYR C 64 0.292 8.471 -3.230 1.00 0.00 C ATOM 959 CG TYR C 64 1.691 8.653 -2.691 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.213 9.920 -2.473 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.485 7.556 -2.393 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.491 10.088 -1.978 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.763 7.715 -1.898 1.00 0.00 C ATOM 964 CZ TYR C 64 4.261 8.982 -1.691 1.00 0.00 C ATOM 965 OH TYR C 64 5.537 9.142 -1.202 1.00 0.00 O ATOM 0 H TYR C 64 -1.603 7.616 -5.186 1.00 0.00 H new ATOM 0 HA TYR C 64 0.596 9.587 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.366 9.198 -2.753 1.00 0.00 H new ATOM 0 HB3 TYR C 64 -0.068 7.482 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR C 64 1.610 10.788 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.097 6.561 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR C 64 3.885 11.081 -1.817 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.370 6.850 -1.674 1.00 0.00 H new ATOM 0 HH TYR C 64 5.942 8.263 -1.052 1.00 0.00 H new ATOM 975 N THR C 65 2.191 7.831 -5.847 1.00 0.00 N ATOM 976 CA THR C 65 3.038 6.880 -6.557 1.00 0.00 C ATOM 977 C THR C 65 4.451 6.915 -5.969 1.00 0.00 C ATOM 978 O THR C 65 4.924 7.985 -5.583 1.00 0.00 O ATOM 979 CB THR C 65 3.080 7.238 -8.059 1.00 0.00 C ATOM 980 OG1 THR C 65 1.746 7.264 -8.581 1.00 0.00 O ATOM 981 CG2 THR C 65 3.919 6.252 -8.856 1.00 0.00 C ATOM 0 H THR C 65 2.631 8.735 -5.675 1.00 0.00 H new ATOM 0 HA THR C 65 2.629 5.876 -6.445 1.00 0.00 H new ATOM 0 HB THR C 65 3.543 8.220 -8.154 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.558 6.419 -9.041 1.00 0.00 H new ATOM 0 HG21 THR C 65 3.921 6.542 -9.907 1.00 0.00 H new ATOM 0 HG22 THR C 65 4.941 6.254 -8.477 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.497 5.252 -8.756 1.00 0.00 H new ATOM 989 N PHE C 66 5.127 5.765 -5.882 1.00 0.00 N ATOM 990 CA PHE C 66 6.461 5.739 -5.272 1.00 0.00 C ATOM 991 C PHE C 66 7.277 4.512 -5.681 1.00 0.00 C ATOM 992 O PHE C 66 6.883 3.744 -6.562 1.00 0.00 O ATOM 993 CB PHE C 66 6.355 5.813 -3.742 1.00 0.00 C ATOM 994 CG PHE C 66 5.718 4.615 -3.085 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.503 3.601 -2.556 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.340 4.516 -2.973 1.00 0.00 C ATOM 997 CE1 PHE C 66 5.927 2.515 -1.926 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.759 3.431 -2.348 1.00 0.00 C ATOM 999 CZ PHE C 66 4.553 2.429 -1.822 1.00 0.00 C ATOM 0 H PHE C 66 4.786 4.864 -6.216 1.00 0.00 H new ATOM 0 HA PHE C 66 6.990 6.616 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.356 5.944 -3.330 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.782 6.701 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.578 3.661 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.714 5.297 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.550 1.734 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.684 3.365 -2.270 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.099 1.581 -1.331 1.00 0.00 H new ATOM 1009 N ASN C 67 8.434 4.360 -5.037 1.00 0.00 N ATOM 1010 CA ASN C 67 9.358 3.264 -5.308 1.00 0.00 C ATOM 1011 C ASN C 67 9.504 2.393 -4.069 1.00 0.00 C ATOM 1012 O ASN C 67 9.634 2.898 -2.953 1.00 0.00 O ATOM 1013 CB ASN C 67 10.721 3.834 -5.710 1.00 0.00 C ATOM 1014 CG ASN C 67 11.660 2.806 -6.318 1.00 0.00 C ATOM 1015 OD1 ASN C 67 11.634 1.622 -5.975 1.00 0.00 O ATOM 1016 ND2 ASN C 67 12.502 3.261 -7.227 1.00 0.00 N ATOM 0 H ASN C 67 8.756 4.998 -4.309 1.00 0.00 H new ATOM 0 HA ASN C 67 8.968 2.655 -6.123 1.00 0.00 H new ATOM 0 HB2 ASN C 67 10.570 4.642 -6.425 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.195 4.271 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN C 67 13.163 2.625 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.492 4.248 -7.483 1.00 0.00 H new ATOM 1023 N GLU C 68 9.503 1.086 -4.286 1.00 0.00 N ATOM 1024 CA GLU C 68 9.466 0.112 -3.204 1.00 0.00 C ATOM 1025 C GLU C 68 10.780 0.050 -2.431 1.00 0.00 C ATOM 1026 O GLU C 68 10.795 -0.277 -1.247 1.00 0.00 O ATOM 1027 CB GLU C 68 9.157 -1.269 -3.773 1.00 0.00 C ATOM 1028 CG GLU C 68 8.176 -2.086 -2.955 1.00 0.00 C ATOM 1029 CD GLU C 68 8.396 -3.578 -3.089 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.952 -4.194 -2.155 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.008 -4.142 -4.132 1.00 0.00 O1- ATOM 0 H GLU C 68 9.528 0.670 -5.217 1.00 0.00 H new ATOM 0 HA GLU C 68 8.687 0.428 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU C 68 8.759 -1.151 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.089 -1.827 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.262 -1.804 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.160 -1.844 -3.268 1.00 0.00 H new ATOM 1038 N LYS C 69 11.888 0.357 -3.092 1.00 0.00 N ATOM 1039 CA LYS C 69 13.196 0.189 -2.468 1.00 0.00 C ATOM 1040 C LYS C 69 13.667 1.461 -1.796 1.00 0.00 C ATOM 1041 O LYS C 69 14.860 1.630 -1.547 1.00 0.00 O ATOM 1042 CB LYS C 69 14.234 -0.257 -3.487 1.00 0.00 C ATOM 1043 CG LYS C 69 14.505 0.778 -4.556 1.00 0.00 C ATOM 1044 CD LYS C 69 15.414 0.204 -5.640 1.00 0.00 C ATOM 1045 CE LYS C 69 16.871 0.166 -5.197 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.414 1.527 -4.920 1.00 0.00 N1+ ATOM 0 H LYS C 69 11.910 0.718 -4.046 1.00 0.00 H new ATOM 0 HA LYS C 69 13.083 -0.583 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.165 -0.488 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS C 69 13.896 -1.179 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.565 1.107 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.972 1.656 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.085 -0.804 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.325 0.805 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.960 -0.448 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.471 -0.312 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.452 1.508 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 17.033 2.201 -5.615 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.136 1.823 -3.962 1.00 0.00 H new ATOM 1060 N SER C 70 12.747 2.362 -1.517 1.00 0.00 N ATOM 1061 CA SER C 70 13.087 3.524 -0.730 1.00 0.00 C ATOM 1062 C SER C 70 13.202 3.111 0.740 1.00 0.00 C ATOM 1063 O SER C 70 14.013 2.255 1.097 1.00 0.00 O ATOM 1064 CB SER C 70 12.035 4.625 -0.908 1.00 0.00 C ATOM 1065 OG SER C 70 10.724 4.104 -0.749 1.00 0.00 O ATOM 0 H SER C 70 11.774 2.312 -1.819 1.00 0.00 H new ATOM 0 HA SER C 70 14.042 3.926 -1.067 1.00 0.00 H new ATOM 0 HB2 SER C 70 12.206 5.418 -0.180 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.135 5.073 -1.897 1.00 0.00 H new ATOM 0 HG SER C 70 10.410 3.741 -1.604 1.00 0.00 H new ATOM 1071 N THR C 71 12.385 3.707 1.586 1.00 0.00 N ATOM 1072 CA THR C 71 12.190 3.220 2.922 1.00 0.00 C ATOM 1073 C THR C 71 10.699 3.154 3.181 1.00 0.00 C ATOM 1074 O THR C 71 10.037 4.186 3.317 1.00 0.00 O ATOM 1075 CB THR C 71 12.881 4.099 3.976 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.768 5.484 3.626 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.345 3.719 4.135 1.00 0.00 C ATOM 0 H THR C 71 11.842 4.540 1.360 1.00 0.00 H new ATOM 0 HA THR C 71 12.644 2.233 3.006 1.00 0.00 H new ATOM 0 HB THR C 71 12.380 3.932 4.929 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.545 5.973 3.970 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.807 4.358 4.887 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.419 2.678 4.449 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.860 3.848 3.183 1.00 0.00 H new ATOM 1085 N VAL C 72 10.173 1.942 3.222 1.00 0.00 N ATOM 1086 CA VAL C 72 8.736 1.721 3.263 1.00 0.00 C ATOM 1087 C VAL C 72 8.079 2.443 4.435 1.00 0.00 C ATOM 1088 O VAL C 72 6.910 2.788 4.364 1.00 0.00 O ATOM 1089 CB VAL C 72 8.407 0.208 3.327 1.00 0.00 C ATOM 1090 CG1 VAL C 72 6.928 -0.041 3.159 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.184 -0.557 2.267 1.00 0.00 C ATOM 0 H VAL C 72 10.727 1.086 3.228 1.00 0.00 H new ATOM 0 HA VAL C 72 8.329 2.135 2.341 1.00 0.00 H new ATOM 0 HB VAL C 72 8.705 -0.150 4.313 1.00 0.00 H new ATOM 0 HG11 VAL C 72 6.731 -1.112 3.209 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.381 0.466 3.954 1.00 0.00 H new ATOM 0 HG13 VAL C 72 6.602 0.343 2.192 1.00 0.00 H new ATOM 0 HG21 VAL C 72 8.938 -1.617 2.330 1.00 0.00 H new ATOM 0 HG22 VAL C 72 8.919 -0.181 1.279 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.253 -0.422 2.431 1.00 0.00 H new ATOM 1101 N GLY C 73 8.838 2.723 5.484 1.00 0.00 N ATOM 1102 CA GLY C 73 8.256 3.342 6.665 1.00 0.00 C ATOM 1103 C GLY C 73 8.055 4.829 6.499 1.00 0.00 C ATOM 1104 O GLY C 73 7.119 5.395 7.066 1.00 0.00 O ATOM 0 H GLY C 73 9.839 2.536 5.543 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.297 2.871 6.883 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.903 3.160 7.523 1.00 0.00 H new ATOM 1108 N ASN C 74 8.920 5.465 5.725 1.00 0.00 N ATOM 1109 CA ASN C 74 8.735 6.868 5.396 1.00 0.00 C ATOM 1110 C ASN C 74 7.582 7.011 4.422 1.00 0.00 C ATOM 1111 O ASN C 74 6.830 7.983 4.464 1.00 0.00 O ATOM 1112 CB ASN C 74 10.006 7.482 4.794 1.00 0.00 C ATOM 1113 CG ASN C 74 11.078 7.745 5.837 1.00 0.00 C ATOM 1114 OD1 ASN C 74 11.082 8.791 6.489 1.00 0.00 O ATOM 1115 ND2 ASN C 74 12.012 6.819 5.983 1.00 0.00 N ATOM 0 H ASN C 74 9.750 5.036 5.316 1.00 0.00 H new ATOM 0 HA ASN C 74 8.513 7.405 6.318 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.403 6.812 4.031 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.752 8.417 4.295 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.768 6.959 6.653 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.976 5.966 5.426 1.00 0.00 H new ATOM 1122 N ILE C 75 7.434 6.022 3.554 1.00 0.00 N ATOM 1123 CA ILE C 75 6.398 6.057 2.537 1.00 0.00 C ATOM 1124 C ILE C 75 5.041 5.690 3.122 1.00 0.00 C ATOM 1125 O ILE C 75 4.075 6.442 2.995 1.00 0.00 O ATOM 1126 CB ILE C 75 6.695 5.077 1.389 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.133 5.227 0.883 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.704 5.308 0.264 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.443 6.585 0.296 1.00 0.00 C ATOM 0 H ILE C 75 8.019 5.186 3.535 1.00 0.00 H new ATOM 0 HA ILE C 75 6.381 7.077 2.154 1.00 0.00 H new ATOM 0 HB ILE C 75 6.589 4.059 1.763 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.819 5.035 1.708 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.322 4.465 0.127 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.911 4.615 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.691 5.143 0.632 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.796 6.332 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.480 6.609 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.784 6.774 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.289 7.353 1.054 1.00 0.00 H new ATOM 1141 N SER C 76 4.986 4.528 3.762 1.00 0.00 N ATOM 1142 CA SER C 76 3.735 3.953 4.236 1.00 0.00 C ATOM 1143 C SER C 76 2.952 4.911 5.103 1.00 0.00 C ATOM 1144 O SER C 76 1.774 5.163 4.865 1.00 0.00 O ATOM 1145 CB SER C 76 4.002 2.664 5.004 1.00 0.00 C ATOM 1146 OG SER C 76 4.892 2.879 6.087 1.00 0.00 O ATOM 0 H SER C 76 5.807 3.959 3.966 1.00 0.00 H new ATOM 0 HA SER C 76 3.130 3.738 3.355 1.00 0.00 H new ATOM 0 HB2 SER C 76 3.061 2.261 5.379 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.422 1.918 4.330 1.00 0.00 H new ATOM 0 HG SER C 76 5.361 2.044 6.295 1.00 0.00 H new ATOM 1152 N ASN C 77 3.597 5.441 6.107 1.00 0.00 N ATOM 1153 CA ASN C 77 2.906 6.320 7.037 1.00 0.00 C ATOM 1154 C ASN C 77 2.690 7.725 6.481 1.00 0.00 C ATOM 1155 O ASN C 77 1.860 8.468 7.000 1.00 0.00 O ATOM 1156 CB ASN C 77 3.575 6.341 8.401 1.00 0.00 C ATOM 1157 CG ASN C 77 3.211 5.115 9.220 1.00 0.00 C ATOM 1158 OD1 ASN C 77 4.041 4.570 9.946 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.952 4.691 9.130 1.00 0.00 N ATOM 0 H ASN C 77 4.585 5.288 6.308 1.00 0.00 H new ATOM 0 HA ASN C 77 1.911 5.896 7.173 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.657 6.388 8.276 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.277 7.241 8.939 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.645 3.886 9.676 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.295 5.171 8.516 1.00 0.00 H new ATOM 1166 N ASP C 78 3.406 8.100 5.423 1.00 0.00 N ATOM 1167 CA ASP C 78 3.015 9.293 4.669 1.00 0.00 C ATOM 1168 C ASP C 78 1.662 9.049 4.042 1.00 0.00 C ATOM 1169 O ASP C 78 0.819 9.941 3.983 1.00 0.00 O ATOM 1170 CB ASP C 78 4.009 9.652 3.570 1.00 0.00 C ATOM 1171 CG ASP C 78 5.114 10.569 4.051 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.792 11.187 3.201 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.301 10.701 5.278 1.00 0.00 O1- ATOM 0 H ASP C 78 4.233 7.615 5.075 1.00 0.00 H new ATOM 0 HA ASP C 78 2.988 10.128 5.369 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.450 8.738 3.173 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.477 10.132 2.749 1.00 0.00 H new ATOM 1178 N ILE C 79 1.462 7.817 3.587 1.00 0.00 N ATOM 1179 CA ILE C 79 0.175 7.378 3.076 1.00 0.00 C ATOM 1180 C ILE C 79 -0.887 7.495 4.167 1.00 0.00 C ATOM 1181 O ILE C 79 -2.081 7.614 3.888 1.00 0.00 O ATOM 1182 CB ILE C 79 0.247 5.921 2.552 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.230 5.830 1.381 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.129 5.417 2.135 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.429 4.422 0.860 1.00 0.00 C ATOM 0 H ILE C 79 2.186 7.099 3.563 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.097 8.022 2.240 1.00 0.00 H new ATOM 0 HB ILE C 79 0.603 5.285 3.362 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.872 6.461 0.568 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.194 6.231 1.695 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.047 4.393 1.772 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.802 5.445 2.992 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.524 6.052 1.342 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.138 4.437 0.032 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.817 3.790 1.659 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.475 4.024 0.514 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.448 7.504 5.421 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.384 7.634 6.522 1.00 0.00 C ATOM 1199 C ASN C 80 -1.759 9.080 6.730 1.00 0.00 C ATOM 1200 O ASN C 80 -2.884 9.372 7.112 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.854 7.080 7.851 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.647 5.580 7.883 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.910 4.934 8.896 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.127 5.015 6.813 1.00 0.00 N ATOM 0 H ASN C 80 0.532 7.424 5.693 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.252 7.040 6.235 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.094 7.567 8.078 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.550 7.352 8.644 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.069 4.014 6.809 1.00 0.00 H new ATOM 0 HD22 ASN C 80 0.080 5.578 5.988 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.820 9.987 6.501 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.117 11.410 6.572 1.00 0.00 C ATOM 1213 C LYS C 81 -2.310 11.707 5.676 1.00 0.00 C ATOM 1214 O LYS C 81 -3.234 12.418 6.052 1.00 0.00 O ATOM 1215 CB LYS C 81 0.091 12.229 6.123 1.00 0.00 C ATOM 1216 CG LYS C 81 1.365 11.909 6.887 1.00 0.00 C ATOM 1217 CD LYS C 81 2.572 12.596 6.268 1.00 0.00 C ATOM 1218 CE LYS C 81 2.484 14.108 6.379 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.623 14.776 5.699 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.147 9.765 6.266 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.350 11.682 7.601 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.262 12.055 5.061 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.136 13.289 6.240 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.258 12.225 7.925 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.524 10.831 6.897 1.00 0.00 H new ATOM 0 HD2 LYS C 81 3.480 12.248 6.761 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.651 12.313 5.218 1.00 0.00 H new ATOM 0 HE2 LYS C 81 1.547 14.451 5.941 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.469 14.395 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 3.529 15.807 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.516 14.468 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 3.623 14.522 4.691 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.294 11.087 4.508 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.357 11.230 3.523 1.00 0.00 C ATOM 1235 C LEU C 82 -4.700 10.793 4.106 1.00 0.00 C ATOM 1236 O LEU C 82 -5.741 11.336 3.740 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.046 10.354 2.304 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.558 10.152 1.986 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.405 9.267 0.756 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.864 11.488 1.758 1.00 0.00 C ATOM 0 H LEU C 82 -1.540 10.467 4.213 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.416 12.279 3.234 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.501 9.376 2.458 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.528 10.795 1.431 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.088 9.665 2.840 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.346 9.128 0.537 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.866 8.298 0.946 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.893 9.741 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.189 11.317 1.535 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.334 12.004 0.921 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.950 12.100 2.656 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.640 9.838 5.037 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.827 9.147 5.569 1.00 0.00 C ATOM 1254 C ASN C 83 -6.854 8.890 4.472 1.00 0.00 C ATOM 1255 O ASN C 83 -7.791 9.664 4.271 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.429 9.896 6.759 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.190 9.157 8.073 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -6.990 9.250 9.002 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.086 8.406 8.162 1.00 0.00 N ATOM 0 H ASN C 83 -3.763 9.517 5.448 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.505 8.174 5.942 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.994 10.894 6.819 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.500 10.024 6.604 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.888 7.889 9.019 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.442 8.350 7.373 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.648 7.778 3.779 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.356 7.447 2.548 1.00 0.00 C ATOM 1268 C ILE C 84 -8.873 7.455 2.660 1.00 0.00 C ATOM 1269 O ILE C 84 -9.461 6.964 3.616 1.00 0.00 O ATOM 1270 CB ILE C 84 -6.878 6.085 2.019 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.476 6.237 1.449 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.821 5.517 0.969 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.394 7.266 0.337 1.00 0.00 C ATOM 0 H ILE C 84 -5.972 7.068 4.061 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.111 8.245 1.847 1.00 0.00 H new ATOM 0 HB ILE C 84 -6.868 5.379 2.850 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -4.793 6.521 2.250 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.138 5.273 1.069 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.444 4.554 0.624 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.812 5.384 1.404 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.884 6.205 0.126 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.368 7.327 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -6.052 6.972 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.702 8.239 0.719 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.475 8.003 1.623 1.00 0.00 N ATOM 1286 CA LYS C 85 -10.910 8.099 1.492 1.00 0.00 C ATOM 1287 C LYS C 85 -11.337 7.387 0.236 1.00 0.00 C ATOM 1288 O LYS C 85 -10.498 7.022 -0.592 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.357 9.558 1.407 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.312 10.502 0.795 1.00 0.00 C ATOM 1291 CD LYS C 85 -9.225 10.881 1.798 1.00 0.00 C ATOM 1292 CE LYS C 85 -7.858 11.024 1.138 1.00 0.00 C ATOM 1293 NZ LYS C 85 -7.865 12.025 0.039 1.00 0.00 N1+ ATOM 0 H LYS C 85 -8.967 8.401 0.833 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.369 7.643 2.369 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.270 9.612 0.815 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.605 9.909 2.409 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -9.855 10.024 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -10.805 11.405 0.437 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.492 11.820 2.284 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -9.172 10.122 2.578 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -7.123 11.316 1.888 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -7.544 10.057 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -6.891 12.187 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -8.441 11.670 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -8.267 12.919 0.386 1.00 0.00 H new ATOM 1307 N GLY C 86 -12.625 7.214 0.066 1.00 0.00 N ATOM 1308 CA GLY C 86 -13.089 6.603 -1.139 1.00 0.00 C ATOM 1309 C GLY C 86 -13.847 5.315 -0.878 1.00 0.00 C ATOM 1310 O GLY C 86 -13.896 4.849 0.260 1.00 0.00 O ATOM 0 H GLY C 86 -13.349 7.482 0.733 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.735 7.301 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -12.239 6.396 -1.789 1.00 0.00 H new ATOM 1314 N PRO C 87 -14.453 4.711 -1.909 1.00 0.00 N ATOM 1315 CA PRO C 87 -15.230 3.479 -1.753 1.00 0.00 C ATOM 1316 C PRO C 87 -14.339 2.241 -1.702 1.00 0.00 C ATOM 1317 O PRO C 87 -14.503 1.387 -0.837 1.00 0.00 O ATOM 1318 CB PRO C 87 -16.083 3.467 -3.016 1.00 0.00 C ATOM 1319 CG PRO C 87 -15.207 4.104 -4.032 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.458 5.188 -3.305 1.00 0.00 C ATOM 0 HA PRO C 87 -15.801 3.456 -0.825 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -16.360 2.453 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -17.010 4.024 -2.880 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.520 3.378 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.795 4.517 -4.852 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.447 5.310 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.954 6.154 -3.399 1.00 0.00 H new ATOM 1328 N TYR C 88 -13.402 2.159 -2.638 1.00 0.00 N ATOM 1329 CA TYR C 88 -12.428 1.088 -2.670 1.00 0.00 C ATOM 1330 C TYR C 88 -11.149 1.613 -3.302 1.00 0.00 C ATOM 1331 O TYR C 88 -11.194 2.416 -4.242 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.956 -0.138 -3.429 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.151 0.086 -4.916 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.175 -0.287 -5.831 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.312 0.676 -5.401 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -12.350 -0.080 -7.187 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -14.494 0.886 -6.754 1.00 0.00 C ATOM 1338 CZ TYR C 88 -13.510 0.507 -7.642 1.00 0.00 C ATOM 1339 OH TYR C 88 -13.688 0.716 -8.993 1.00 0.00 O ATOM 0 H TYR C 88 -13.300 2.836 -3.394 1.00 0.00 H new ATOM 0 HA TYR C 88 -12.227 0.759 -1.650 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.262 -0.966 -3.286 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.907 -0.440 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.264 -0.747 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -15.085 0.975 -4.708 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -11.581 -0.377 -7.885 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -15.403 1.345 -7.114 1.00 0.00 H new ATOM 0 HH TYR C 88 -14.559 1.138 -9.147 1.00 0.00 H new ATOM 1349 N ILE C 89 -10.015 1.189 -2.776 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.741 1.738 -3.198 1.00 0.00 C ATOM 1351 C ILE C 89 -7.773 0.633 -3.586 1.00 0.00 C ATOM 1352 O ILE C 89 -7.610 -0.351 -2.867 1.00 0.00 O ATOM 1353 CB ILE C 89 -8.100 2.622 -2.095 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.996 3.822 -1.775 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.717 3.104 -2.516 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -10.107 3.523 -0.785 1.00 0.00 C ATOM 0 H ILE C 89 -9.950 0.468 -2.058 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.941 2.363 -4.068 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.996 2.011 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.378 4.627 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.439 4.188 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -6.290 3.721 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -6.071 2.244 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.799 3.692 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -10.694 4.425 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -10.752 2.741 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -9.674 3.188 0.157 1.00 0.00 H new ATOM 1368 N GLU C 90 -7.138 0.810 -4.730 1.00 0.00 N ATOM 1369 CA GLU C 90 -6.130 -0.115 -5.198 1.00 0.00 C ATOM 1370 C GLU C 90 -4.763 0.341 -4.724 1.00 0.00 C ATOM 1371 O GLU C 90 -4.159 1.241 -5.312 1.00 0.00 O ATOM 1372 CB GLU C 90 -6.138 -0.176 -6.723 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.436 -0.702 -7.316 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.594 -2.199 -7.148 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -6.738 -2.953 -7.660 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -8.584 -2.634 -6.529 1.00 0.00 O1- ATOM 0 H GLU C 90 -7.308 1.597 -5.357 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.349 -1.105 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.949 0.823 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.316 -0.810 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.278 -0.197 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.472 -0.454 -8.377 1.00 0.00 H new ATOM 1383 N ILE C 91 -4.288 -0.254 -3.650 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.949 0.020 -3.183 1.00 0.00 C ATOM 1385 C ILE C 91 -2.048 -1.139 -3.631 1.00 0.00 C ATOM 1386 O ILE C 91 -2.040 -2.224 -3.050 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.937 0.276 -1.637 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.635 0.940 -1.193 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -3.164 -0.999 -0.836 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.739 1.636 0.147 1.00 0.00 C ATOM 0 H ILE C 91 -4.808 -0.927 -3.087 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.558 0.939 -3.620 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.768 0.952 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -0.850 0.185 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -1.330 1.665 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -3.147 -0.768 0.229 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -4.132 -1.426 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -2.376 -1.717 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -0.778 2.085 0.399 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.501 2.414 0.095 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -2.013 0.911 0.913 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.327 -0.918 -4.726 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.613 -1.992 -5.403 1.00 0.00 C ATOM 1404 C LYS C 92 0.535 -1.429 -6.221 1.00 0.00 C ATOM 1405 O LYS C 92 0.676 -0.221 -6.350 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.596 -2.736 -6.316 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.413 -1.800 -7.208 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.702 -1.469 -8.514 1.00 0.00 C ATOM 1409 CE LYS C 92 -1.750 -2.633 -9.493 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.140 -2.956 -9.907 1.00 0.00 N1+ ATOM 0 H LYS C 92 -1.223 -0.002 -5.163 1.00 0.00 H new ATOM 0 HA LYS C 92 -0.200 -2.679 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -1.042 -3.434 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.275 -3.328 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.375 -2.262 -7.429 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.620 -0.877 -6.667 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.165 -0.593 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.664 -1.210 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.157 -2.390 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -1.295 -3.511 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -3.120 -3.511 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -3.605 -3.509 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -3.669 -2.075 -10.065 1.00 0.00 H new ATOM 1424 N GLN C 93 1.354 -2.289 -6.783 1.00 0.00 N ATOM 1425 CA GLN C 93 2.421 -1.814 -7.635 1.00 0.00 C ATOM 1426 C GLN C 93 2.106 -2.073 -9.090 1.00 0.00 C ATOM 1427 O GLN C 93 1.310 -2.951 -9.428 1.00 0.00 O ATOM 1428 CB GLN C 93 3.769 -2.410 -7.255 1.00 0.00 C ATOM 1429 CG GLN C 93 3.679 -3.580 -6.293 1.00 0.00 C ATOM 1430 CD GLN C 93 5.034 -4.079 -5.835 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.199 -5.261 -5.548 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.017 -3.194 -5.776 1.00 0.00 N ATOM 0 H GLN C 93 1.305 -3.301 -6.669 1.00 0.00 H new ATOM 0 HA GLN C 93 2.495 -0.737 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.278 -2.737 -8.162 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.385 -1.631 -6.806 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.095 -3.282 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.141 -4.397 -6.774 1.00 0.00 H new ATOM 0 HE21 GLN C 93 5.842 -2.220 -6.022 1.00 0.00 H new ATOM 0 HE22 GLN C 93 6.950 -3.486 -5.484 1.00 0.00 H new ATOM 1441 N ILE C 94 2.765 -1.321 -9.940 1.00 0.00 N ATOM 1442 CA ILE C 94 2.400 -1.223 -11.337 1.00 0.00 C ATOM 1443 C ILE C 94 3.580 -1.558 -12.240 1.00 0.00 C ATOM 1444 O ILE C 94 3.798 -0.852 -13.242 1.00 0.00 O ATOM 1445 CB ILE C 94 1.871 0.198 -11.616 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.550 1.187 -10.661 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.360 0.242 -11.452 1.00 0.00 C ATOM 1448 CD1 ILE C 94 1.988 2.585 -10.692 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.298 -2.536 -11.929 1.00 0.00 O ATOM 0 H ILE C 94 3.574 -0.756 -9.682 1.00 0.00 H new ATOM 0 HA ILE C 94 1.617 -1.949 -11.556 1.00 0.00 H new ATOM 0 HB ILE C 94 2.105 0.477 -12.643 1.00 0.00 H new ATOM 0 HG12 ILE C 94 2.470 0.801 -9.645 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.612 1.232 -10.903 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.002 1.252 -11.652 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.102 -0.453 -12.153 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.096 -0.041 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE C 94 2.531 3.211 -9.984 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.092 2.997 -11.696 1.00 0.00 H new ATOM 0 HD13 ILE C 94 0.933 2.559 -10.418 1.00 0.00 H new TER 1461 ILE C 94