USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1023 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 39 THR OG1 : rot 130:sc= -0.746 USER MOD Set 1.2: A 40 THR OG1 : rot 88:sc= 0.0879 USER MOD Set 2.1: A 8 GLN : amide:sc= -1.78! C(o=-5!,f=-9.5!) USER MOD Set 2.2: A 124 TYR OH : rot -8:sc= -3.19! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.959 K(o=-0.96,f=-2.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= -6.77! (180deg=-6.84!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 25 THR OG1 : rot 80:sc= -3.39! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 36 SER OG : rot 180:sc= -0.174 USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= 0.182 (180deg=-0.773) USER MOD Single : A 38 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.4!) USER MOD Single : A 42 LYS NZ :NH3+ -105:sc= 0.463 (180deg=-0.0043) USER MOD Single : A 44 THR OG1 : rot 140:sc= -0.213 USER MOD Single : A 50 THR OG1 : rot 74:sc= 0.749 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot -19:sc= 0.466 USER MOD Single : A 57 SER OG : rot -53:sc= -2.45! USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 59 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -42:sc= 0.305 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -7.97! C(o=-8!,f=-12!) USER MOD Single : A 74 HIS : no HD1:sc= -0.265 K(o=-0.26,f=-0.78) USER MOD Single : A 76 HIS : no HE2:sc= -4.89! K(o=-4.9!,f=-2.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0352 K(o=-0.035,f=-0.56) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.54! C(o=-2.5!,f=-9!) USER MOD Single : A 97 ASN : amide:sc= -6.99! C(o=-7!,f=-12!) USER MOD Single : A 98 SER OG : rot -73:sc= 0.407 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.53 K(o=-1.5,f=-1) USER MOD Single : A 106 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.98) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 77:sc= -1.08! USER MOD Single : A 111 ASN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 84:sc= 0.535 USER MOD Single : A 120 MET CE :methyl -140:sc= -1.13 (180deg=-5.75!) USER MOD Single : A 123 LYS NZ :NH3+ -147:sc= -0.292 (180deg=-1.26!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 13.564 4.492 -26.626 1.00 0.00 N ATOM 53 CA ASP A 4 12.678 5.667 -26.851 1.00 0.00 C ATOM 54 C ASP A 4 13.330 6.922 -26.273 1.00 0.00 C ATOM 55 O ASP A 4 14.248 6.854 -25.480 1.00 0.00 O ATOM 56 CB ASP A 4 11.330 5.441 -26.165 1.00 0.00 C ATOM 57 CG ASP A 4 11.041 3.941 -26.059 1.00 0.00 C ATOM 58 OD1 ASP A 4 11.011 3.289 -27.090 1.00 0.00 O ATOM 59 OD2 ASP A 4 10.854 3.470 -24.949 1.00 0.00 O ATOM 0 HA ASP A 4 12.524 5.794 -27.923 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.339 5.889 -25.171 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.538 5.933 -26.730 1.00 0.00 H new ATOM 64 N ILE A 5 12.857 8.069 -26.669 1.00 0.00 N ATOM 65 CA ILE A 5 13.433 9.345 -26.155 1.00 0.00 C ATOM 66 C ILE A 5 13.059 9.531 -24.681 1.00 0.00 C ATOM 67 O ILE A 5 13.773 10.160 -23.928 1.00 0.00 O ATOM 68 CB ILE A 5 12.884 10.517 -26.974 1.00 0.00 C ATOM 69 CG1 ILE A 5 13.528 10.513 -28.362 1.00 0.00 C ATOM 70 CG2 ILE A 5 13.209 11.835 -26.268 1.00 0.00 C ATOM 71 CD1 ILE A 5 15.050 10.465 -28.218 1.00 0.00 C ATOM 0 H ILE A 5 12.090 8.180 -27.332 1.00 0.00 H new ATOM 0 HA ILE A 5 14.519 9.311 -26.246 1.00 0.00 H new ATOM 0 HB ILE A 5 11.803 10.415 -27.071 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.179 9.653 -28.934 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.232 11.405 -28.914 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.817 12.667 -26.853 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.752 11.840 -25.278 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.290 11.938 -26.169 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.509 10.462 -29.207 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.391 11.339 -27.662 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.336 9.560 -27.682 1.00 0.00 H new ATOM 83 N THR A 6 11.938 9.007 -24.268 1.00 0.00 N ATOM 84 CA THR A 6 11.505 9.170 -22.851 1.00 0.00 C ATOM 85 C THR A 6 12.642 8.798 -21.896 1.00 0.00 C ATOM 86 O THR A 6 12.870 9.465 -20.908 1.00 0.00 O ATOM 87 CB THR A 6 10.301 8.265 -22.581 1.00 0.00 C ATOM 88 OG1 THR A 6 9.213 8.672 -23.399 1.00 0.00 O ATOM 89 CG2 THR A 6 9.902 8.369 -21.109 1.00 0.00 C ATOM 0 H THR A 6 11.299 8.470 -24.855 1.00 0.00 H new ATOM 0 HA THR A 6 11.233 10.212 -22.685 1.00 0.00 H new ATOM 0 HB THR A 6 10.563 7.232 -22.811 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.441 8.093 -23.229 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.044 7.724 -20.918 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.738 8.057 -20.483 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.639 9.401 -20.875 1.00 0.00 H new ATOM 97 N LEU A 7 13.352 7.741 -22.170 1.00 0.00 N ATOM 98 CA LEU A 7 14.455 7.347 -21.257 1.00 0.00 C ATOM 99 C LEU A 7 15.592 8.359 -21.381 1.00 0.00 C ATOM 100 O LEU A 7 16.069 8.883 -20.397 1.00 0.00 O ATOM 101 CB LEU A 7 14.924 5.898 -21.564 1.00 0.00 C ATOM 102 CG LEU A 7 16.397 5.830 -21.900 1.00 0.00 C ATOM 103 CD1 LEU A 7 17.231 6.218 -20.675 1.00 0.00 C ATOM 104 CD2 LEU A 7 16.706 4.390 -22.313 1.00 0.00 C ATOM 0 H LEU A 7 13.217 7.137 -22.981 1.00 0.00 H new ATOM 0 HA LEU A 7 14.104 7.352 -20.225 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.721 5.262 -20.702 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.345 5.500 -22.397 1.00 0.00 H new ATOM 0 HG LEU A 7 16.641 6.521 -22.707 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.291 6.167 -20.925 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.979 7.234 -20.370 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.018 5.530 -19.857 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.763 4.302 -22.564 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.471 3.717 -21.489 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.104 4.123 -23.182 1.00 0.00 H new ATOM 116 N GLN A 8 16.024 8.656 -22.570 1.00 0.00 N ATOM 117 CA GLN A 8 17.118 9.653 -22.712 1.00 0.00 C ATOM 118 C GLN A 8 16.749 10.887 -21.902 1.00 0.00 C ATOM 119 O GLN A 8 17.591 11.604 -21.398 1.00 0.00 O ATOM 120 CB GLN A 8 17.294 10.029 -24.185 1.00 0.00 C ATOM 121 CG GLN A 8 18.209 9.011 -24.864 1.00 0.00 C ATOM 122 CD GLN A 8 18.234 9.272 -26.373 1.00 0.00 C ATOM 123 OE1 GLN A 8 18.444 8.366 -27.153 1.00 0.00 O ATOM 124 NE2 GLN A 8 18.028 10.482 -26.816 1.00 0.00 N ATOM 0 H GLN A 8 15.673 8.258 -23.441 1.00 0.00 H new ATOM 0 HA GLN A 8 18.056 9.233 -22.348 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.325 10.053 -24.684 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.720 11.029 -24.268 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.217 9.083 -24.455 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.856 7.999 -24.665 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.852 11.242 -26.159 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.043 10.667 -27.819 1.00 0.00 H new ATOM 133 N GLU A 9 15.484 11.121 -21.782 1.00 0.00 N ATOM 134 CA GLU A 9 14.992 12.296 -21.009 1.00 0.00 C ATOM 135 C GLU A 9 15.232 12.076 -19.514 1.00 0.00 C ATOM 136 O GLU A 9 15.743 12.938 -18.828 1.00 0.00 O ATOM 137 CB GLU A 9 13.494 12.477 -21.263 1.00 0.00 C ATOM 138 CG GLU A 9 13.286 13.453 -22.423 1.00 0.00 C ATOM 139 CD GLU A 9 11.834 13.384 -22.897 1.00 0.00 C ATOM 140 OE1 GLU A 9 10.967 13.190 -22.059 1.00 0.00 O ATOM 141 OE2 GLU A 9 11.612 13.524 -24.088 1.00 0.00 O ATOM 0 H GLU A 9 14.751 10.542 -22.191 1.00 0.00 H new ATOM 0 HA GLU A 9 15.531 13.188 -21.329 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.035 11.516 -21.496 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.005 12.854 -20.365 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.528 14.467 -22.106 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.959 13.207 -23.244 1.00 0.00 H new ATOM 148 N ILE A 10 14.854 10.936 -18.995 1.00 0.00 N ATOM 149 CA ILE A 10 15.053 10.686 -17.540 1.00 0.00 C ATOM 150 C ILE A 10 16.545 10.712 -17.214 1.00 0.00 C ATOM 151 O ILE A 10 16.932 11.063 -16.126 1.00 0.00 O ATOM 152 CB ILE A 10 14.443 9.323 -17.162 1.00 0.00 C ATOM 153 CG1 ILE A 10 12.947 9.490 -16.878 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.126 8.760 -15.911 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.305 10.369 -17.954 1.00 0.00 C ATOM 0 H ILE A 10 14.419 10.173 -19.514 1.00 0.00 H new ATOM 0 HA ILE A 10 14.555 11.465 -16.963 1.00 0.00 H new ATOM 0 HB ILE A 10 14.591 8.634 -17.994 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.461 8.514 -16.856 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.803 9.940 -15.896 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.683 7.797 -15.657 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.191 8.630 -16.105 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.990 9.452 -15.080 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.241 10.482 -17.744 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.781 11.349 -17.955 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.434 9.902 -18.930 1.00 0.00 H new ATOM 167 N ILE A 11 17.387 10.347 -18.134 1.00 0.00 N ATOM 168 CA ILE A 11 18.842 10.381 -17.836 1.00 0.00 C ATOM 169 C ILE A 11 19.293 11.836 -17.759 1.00 0.00 C ATOM 170 O ILE A 11 20.220 12.174 -17.053 1.00 0.00 O ATOM 171 CB ILE A 11 19.623 9.647 -18.927 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.007 8.258 -19.140 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.085 9.508 -18.494 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.004 7.354 -19.874 1.00 0.00 C ATOM 0 H ILE A 11 17.136 10.030 -19.070 1.00 0.00 H new ATOM 0 HA ILE A 11 19.033 9.884 -16.885 1.00 0.00 H new ATOM 0 HB ILE A 11 19.577 10.209 -19.860 1.00 0.00 H new ATOM 0 HG12 ILE A 11 18.741 7.817 -18.179 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.086 8.343 -19.717 1.00 0.00 H new ATOM 0 HG21 ILE A 11 21.646 8.985 -19.269 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.515 10.498 -18.340 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.137 8.942 -17.564 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.561 6.369 -20.022 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.248 7.792 -20.842 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.913 7.257 -19.280 1.00 0.00 H new ATOM 186 N LYS A 12 18.644 12.699 -18.487 1.00 0.00 N ATOM 187 CA LYS A 12 19.028 14.136 -18.459 1.00 0.00 C ATOM 188 C LYS A 12 18.656 14.739 -17.101 1.00 0.00 C ATOM 189 O LYS A 12 19.463 15.381 -16.457 1.00 0.00 O ATOM 190 CB LYS A 12 18.289 14.885 -19.568 1.00 0.00 C ATOM 191 CG LYS A 12 19.054 16.164 -19.917 1.00 0.00 C ATOM 192 CD LYS A 12 18.204 17.033 -20.844 1.00 0.00 C ATOM 193 CE LYS A 12 17.835 18.334 -20.128 1.00 0.00 C ATOM 194 NZ LYS A 12 17.415 19.351 -21.132 1.00 0.00 N ATOM 0 H LYS A 12 17.863 12.471 -19.101 1.00 0.00 H new ATOM 0 HA LYS A 12 20.103 14.226 -18.614 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.197 14.252 -20.450 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.277 15.130 -19.244 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.297 16.714 -19.008 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.998 15.914 -20.401 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.754 17.253 -21.759 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.301 16.497 -21.135 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.028 18.154 -19.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.687 18.702 -19.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.164 20.236 -20.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.197 19.529 -21.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.590 18.999 -21.658 1.00 0.00 H new ATOM 208 N THR A 13 17.440 14.542 -16.655 1.00 0.00 N ATOM 209 CA THR A 13 17.032 15.111 -15.341 1.00 0.00 C ATOM 210 C THR A 13 17.738 14.359 -14.211 1.00 0.00 C ATOM 211 O THR A 13 18.132 14.929 -13.214 1.00 0.00 O ATOM 212 CB THR A 13 15.509 14.979 -15.192 1.00 0.00 C ATOM 213 OG1 THR A 13 14.876 16.044 -15.888 1.00 0.00 O ATOM 214 CG2 THR A 13 15.114 15.033 -13.713 1.00 0.00 C ATOM 0 H THR A 13 16.718 14.014 -17.144 1.00 0.00 H new ATOM 0 HA THR A 13 17.313 16.163 -15.290 1.00 0.00 H new ATOM 0 HB THR A 13 15.192 14.023 -15.608 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.904 15.962 -15.797 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.032 14.938 -13.622 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.596 14.215 -13.178 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.432 15.984 -13.286 1.00 0.00 H new ATOM 222 N LEU A 14 17.892 13.080 -14.367 1.00 0.00 N ATOM 223 CA LEU A 14 18.563 12.264 -13.325 1.00 0.00 C ATOM 224 C LEU A 14 20.048 12.628 -13.293 1.00 0.00 C ATOM 225 O LEU A 14 20.700 12.550 -12.272 1.00 0.00 O ATOM 226 CB LEU A 14 18.373 10.785 -13.682 1.00 0.00 C ATOM 227 CG LEU A 14 19.414 9.918 -12.975 1.00 0.00 C ATOM 228 CD1 LEU A 14 19.124 9.893 -11.475 1.00 0.00 C ATOM 229 CD2 LEU A 14 19.336 8.493 -13.534 1.00 0.00 C ATOM 0 H LEU A 14 17.577 12.557 -15.184 1.00 0.00 H new ATOM 0 HA LEU A 14 18.137 12.454 -12.340 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.371 10.463 -13.397 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.455 10.653 -14.761 1.00 0.00 H new ATOM 0 HG LEU A 14 20.410 10.327 -13.142 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.867 9.274 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.168 10.908 -11.079 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.130 9.479 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.075 7.866 -13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.339 8.088 -13.359 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.538 8.511 -14.605 1.00 0.00 H new ATOM 241 N ASN A 15 20.579 13.030 -14.412 1.00 0.00 N ATOM 242 CA ASN A 15 22.019 13.410 -14.473 1.00 0.00 C ATOM 243 C ASN A 15 22.245 14.747 -13.734 1.00 0.00 C ATOM 244 O ASN A 15 23.133 14.858 -12.916 1.00 0.00 O ATOM 245 CB ASN A 15 22.435 13.571 -15.937 1.00 0.00 C ATOM 246 CG ASN A 15 23.927 13.903 -16.011 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.564 14.111 -14.998 1.00 0.00 O ATOM 248 ND2 ASN A 15 24.514 13.960 -17.174 1.00 0.00 N ATOM 0 H ASN A 15 20.074 13.113 -15.295 1.00 0.00 H new ATOM 0 HA ASN A 15 22.615 12.631 -13.997 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.228 12.653 -16.488 1.00 0.00 H new ATOM 0 HB3 ASN A 15 21.852 14.363 -16.407 1.00 0.00 H new ATOM 0 HD21 ASN A 15 25.508 14.179 -17.233 1.00 0.00 H new ATOM 0 HD22 ASN A 15 23.979 13.785 -18.025 1.00 0.00 H new ATOM 255 N SER A 16 21.464 15.779 -14.025 1.00 0.00 N ATOM 256 CA SER A 16 21.682 17.086 -13.340 1.00 0.00 C ATOM 257 C SER A 16 21.631 16.915 -11.820 1.00 0.00 C ATOM 258 O SER A 16 22.470 17.424 -11.103 1.00 0.00 O ATOM 259 CB SER A 16 20.596 18.072 -13.775 1.00 0.00 C ATOM 260 OG SER A 16 20.763 18.386 -15.150 1.00 0.00 O ATOM 0 H SER A 16 20.699 15.761 -14.699 1.00 0.00 H new ATOM 0 HA SER A 16 22.666 17.466 -13.616 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.609 17.640 -13.607 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.653 18.980 -13.174 1.00 0.00 H new ATOM 0 HG SER A 16 20.066 19.016 -15.429 1.00 0.00 H new ATOM 266 N LEU A 17 20.646 16.228 -11.317 1.00 0.00 N ATOM 267 CA LEU A 17 20.538 16.055 -9.839 1.00 0.00 C ATOM 268 C LEU A 17 21.856 15.533 -9.256 1.00 0.00 C ATOM 269 O LEU A 17 22.182 15.805 -8.120 1.00 0.00 O ATOM 270 CB LEU A 17 19.401 15.077 -9.517 1.00 0.00 C ATOM 271 CG LEU A 17 18.085 15.637 -10.064 1.00 0.00 C ATOM 272 CD1 LEU A 17 16.897 14.834 -9.519 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.949 17.100 -9.635 1.00 0.00 C ATOM 0 H LEU A 17 19.911 15.778 -11.862 1.00 0.00 H new ATOM 0 HA LEU A 17 20.323 17.024 -9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.607 14.102 -9.960 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.327 14.929 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 17 18.089 15.564 -11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.968 15.243 -9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.993 13.791 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.885 14.896 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.014 17.507 -10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.950 17.162 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.786 17.675 -10.032 1.00 0.00 H new ATOM 285 N THR A 18 22.618 14.781 -10.005 1.00 0.00 N ATOM 286 CA THR A 18 23.897 14.259 -9.443 1.00 0.00 C ATOM 287 C THR A 18 24.861 15.416 -9.189 1.00 0.00 C ATOM 288 O THR A 18 25.597 15.434 -8.223 1.00 0.00 O ATOM 289 CB THR A 18 24.521 13.237 -10.407 1.00 0.00 C ATOM 290 OG1 THR A 18 25.368 12.361 -9.678 1.00 0.00 O ATOM 291 CG2 THR A 18 25.338 13.951 -11.490 1.00 0.00 C ATOM 0 H THR A 18 22.415 14.509 -10.967 1.00 0.00 H new ATOM 0 HA THR A 18 23.694 13.759 -8.496 1.00 0.00 H new ATOM 0 HB THR A 18 23.723 12.670 -10.886 1.00 0.00 H new ATOM 0 HG1 THR A 18 25.766 11.707 -10.290 1.00 0.00 H new ATOM 0 HG21 THR A 18 25.773 13.213 -12.164 1.00 0.00 H new ATOM 0 HG22 THR A 18 24.688 14.619 -12.055 1.00 0.00 H new ATOM 0 HG23 THR A 18 26.135 14.529 -11.023 1.00 0.00 H new ATOM 299 N GLU A 19 24.844 16.382 -10.045 1.00 0.00 N ATOM 300 CA GLU A 19 25.739 17.560 -9.868 1.00 0.00 C ATOM 301 C GLU A 19 25.249 18.371 -8.677 1.00 0.00 C ATOM 302 O GLU A 19 26.007 19.016 -7.980 1.00 0.00 O ATOM 303 CB GLU A 19 25.717 18.425 -11.130 1.00 0.00 C ATOM 304 CG GLU A 19 27.151 18.680 -11.598 1.00 0.00 C ATOM 305 CD GLU A 19 27.276 18.319 -13.080 1.00 0.00 C ATOM 306 OE1 GLU A 19 27.344 17.138 -13.378 1.00 0.00 O ATOM 307 OE2 GLU A 19 27.301 19.230 -13.891 1.00 0.00 O ATOM 0 H GLU A 19 24.246 16.414 -10.871 1.00 0.00 H new ATOM 0 HA GLU A 19 26.761 17.225 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.150 17.926 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.216 19.371 -10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.414 19.726 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.849 18.086 -11.008 1.00 0.00 H new ATOM 314 N GLN A 20 23.979 18.320 -8.445 1.00 0.00 N ATOM 315 CA GLN A 20 23.383 19.062 -7.299 1.00 0.00 C ATOM 316 C GLN A 20 22.604 18.072 -6.430 1.00 0.00 C ATOM 317 O GLN A 20 21.543 17.611 -6.800 1.00 0.00 O ATOM 318 CB GLN A 20 22.437 20.143 -7.823 1.00 0.00 C ATOM 319 CG GLN A 20 23.203 21.077 -8.760 1.00 0.00 C ATOM 320 CD GLN A 20 22.568 22.469 -8.728 1.00 0.00 C ATOM 321 OE1 GLN A 20 23.177 23.417 -8.272 1.00 0.00 O ATOM 322 NE2 GLN A 20 21.361 22.633 -9.195 1.00 0.00 N ATOM 0 H GLN A 20 23.312 17.790 -9.005 1.00 0.00 H new ATOM 0 HA GLN A 20 24.169 19.535 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.601 19.685 -8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.017 20.709 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.248 21.136 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 20 23.188 20.682 -9.776 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.850 21.838 -9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.929 23.557 -9.177 1.00 0.00 H new ATOM 331 N LYS A 21 23.126 17.737 -5.283 1.00 0.00 N ATOM 332 CA LYS A 21 22.428 16.771 -4.395 1.00 0.00 C ATOM 333 C LYS A 21 23.218 16.651 -3.092 1.00 0.00 C ATOM 334 O LYS A 21 23.977 15.723 -2.898 1.00 0.00 O ATOM 335 CB LYS A 21 22.356 15.401 -5.078 1.00 0.00 C ATOM 336 CG LYS A 21 20.917 14.878 -5.025 1.00 0.00 C ATOM 337 CD LYS A 21 20.005 15.797 -5.840 1.00 0.00 C ATOM 338 CE LYS A 21 18.551 15.351 -5.674 1.00 0.00 C ATOM 339 NZ LYS A 21 18.434 13.904 -6.008 1.00 0.00 N ATOM 0 H LYS A 21 24.011 18.094 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 21 21.416 17.119 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 21 22.687 15.481 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.027 14.700 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.874 13.863 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.574 14.833 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.120 16.829 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 21 20.288 15.767 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.220 15.527 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.903 15.939 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.440 13.609 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.766 13.744 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.015 13.347 -5.349 1.00 0.00 H new ATOM 353 N THR A 22 23.058 17.596 -2.207 1.00 0.00 N ATOM 354 CA THR A 22 23.816 17.547 -0.920 1.00 0.00 C ATOM 355 C THR A 22 22.952 18.044 0.250 1.00 0.00 C ATOM 356 O THR A 22 22.552 17.275 1.102 1.00 0.00 O ATOM 357 CB THR A 22 25.064 18.425 -1.034 1.00 0.00 C ATOM 358 OG1 THR A 22 25.435 18.887 0.258 1.00 0.00 O ATOM 359 CG2 THR A 22 24.771 19.621 -1.941 1.00 0.00 C ATOM 0 H THR A 22 22.438 18.398 -2.317 1.00 0.00 H new ATOM 0 HA THR A 22 24.098 16.512 -0.726 1.00 0.00 H new ATOM 0 HB THR A 22 25.880 17.842 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.235 19.448 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.662 20.244 -2.020 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.488 19.266 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.955 20.207 -1.518 1.00 0.00 H new ATOM 367 N LEU A 23 22.688 19.328 0.311 1.00 0.00 N ATOM 368 CA LEU A 23 21.878 19.896 1.431 1.00 0.00 C ATOM 369 C LEU A 23 20.782 18.928 1.865 1.00 0.00 C ATOM 370 O LEU A 23 20.400 18.880 3.017 1.00 0.00 O ATOM 371 CB LEU A 23 21.265 21.224 0.976 1.00 0.00 C ATOM 372 CG LEU A 23 20.110 21.618 1.904 1.00 0.00 C ATOM 373 CD1 LEU A 23 20.582 21.562 3.358 1.00 0.00 C ATOM 374 CD2 LEU A 23 19.651 23.039 1.571 1.00 0.00 C ATOM 0 H LEU A 23 23.004 20.012 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 23 22.528 20.063 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.026 22.004 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 23 20.904 21.134 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 23 19.280 20.926 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 23 19.761 21.842 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 23 20.909 20.550 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 23 21.412 22.254 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 23 18.830 23.320 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 20.481 23.731 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 23 19.315 23.079 0.535 1.00 0.00 H new ATOM 386 N CYS A 24 20.291 18.159 0.960 1.00 0.00 N ATOM 387 CA CYS A 24 19.221 17.179 1.310 1.00 0.00 C ATOM 388 C CYS A 24 19.727 15.763 1.036 1.00 0.00 C ATOM 389 O CYS A 24 20.349 15.172 1.884 1.00 0.00 O ATOM 390 CB CYS A 24 17.964 17.457 0.480 1.00 0.00 C ATOM 391 SG CYS A 24 17.287 19.083 0.908 1.00 0.00 S ATOM 0 H CYS A 24 20.578 18.156 -0.019 1.00 0.00 H new ATOM 0 HA CYS A 24 18.970 17.277 2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 24 18.205 17.422 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.218 16.683 0.664 1.00 0.00 H new ATOM 396 N THR A 25 19.466 15.241 -0.144 1.00 0.00 N ATOM 397 CA THR A 25 19.928 13.854 -0.535 1.00 0.00 C ATOM 398 C THR A 25 20.175 12.944 0.677 1.00 0.00 C ATOM 399 O THR A 25 19.406 12.034 0.916 1.00 0.00 O ATOM 400 CB THR A 25 21.214 13.953 -1.354 1.00 0.00 C ATOM 401 OG1 THR A 25 22.020 12.808 -1.107 1.00 0.00 O ATOM 402 CG2 THR A 25 21.983 15.214 -0.957 1.00 0.00 C ATOM 0 H THR A 25 18.941 15.725 -0.872 1.00 0.00 H new ATOM 0 HA THR A 25 19.126 13.407 -1.123 1.00 0.00 H new ATOM 0 HB THR A 25 20.965 14.003 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 25 21.688 12.054 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A 25 22.899 15.281 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.365 16.092 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.233 15.169 0.103 1.00 0.00 H new ATOM 410 N GLU A 26 21.244 13.169 1.424 1.00 0.00 N ATOM 411 CA GLU A 26 21.551 12.324 2.621 1.00 0.00 C ATOM 412 C GLU A 26 20.252 11.818 3.243 1.00 0.00 C ATOM 413 O GLU A 26 20.189 10.720 3.759 1.00 0.00 O ATOM 414 CB GLU A 26 22.313 13.160 3.649 1.00 0.00 C ATOM 415 CG GLU A 26 23.434 12.318 4.264 1.00 0.00 C ATOM 416 CD GLU A 26 24.625 13.218 4.599 1.00 0.00 C ATOM 417 OE1 GLU A 26 24.677 14.319 4.075 1.00 0.00 O ATOM 418 OE2 GLU A 26 25.465 12.791 5.375 1.00 0.00 O ATOM 0 H GLU A 26 21.919 13.913 1.246 1.00 0.00 H new ATOM 0 HA GLU A 26 22.159 11.473 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.730 14.048 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.634 13.505 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.076 11.820 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.740 11.537 3.568 1.00 0.00 H new ATOM 425 N LEU A 27 19.208 12.611 3.171 1.00 0.00 N ATOM 426 CA LEU A 27 17.891 12.181 3.719 1.00 0.00 C ATOM 427 C LEU A 27 17.691 10.692 3.420 1.00 0.00 C ATOM 428 O LEU A 27 18.308 10.151 2.524 1.00 0.00 O ATOM 429 CB LEU A 27 16.785 12.995 3.048 1.00 0.00 C ATOM 430 CG LEU A 27 16.969 14.496 3.329 1.00 0.00 C ATOM 431 CD1 LEU A 27 15.598 15.120 3.576 1.00 0.00 C ATOM 432 CD2 LEU A 27 17.850 14.734 4.562 1.00 0.00 C ATOM 0 H LEU A 27 19.217 13.541 2.753 1.00 0.00 H new ATOM 0 HA LEU A 27 17.859 12.343 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.797 12.817 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.812 12.668 3.415 1.00 0.00 H new ATOM 0 HG LEU A 27 17.457 14.950 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.714 16.185 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.972 14.983 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.128 14.638 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 27 17.958 15.805 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.386 14.275 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.832 14.291 4.398 1.00 0.00 H new ATOM 444 N THR A 28 16.864 10.014 4.163 1.00 0.00 N ATOM 445 CA THR A 28 16.680 8.556 3.902 1.00 0.00 C ATOM 446 C THR A 28 15.619 8.321 2.823 1.00 0.00 C ATOM 447 O THR A 28 14.603 8.987 2.766 1.00 0.00 O ATOM 448 CB THR A 28 16.261 7.857 5.196 1.00 0.00 C ATOM 449 OG1 THR A 28 15.375 8.697 5.922 1.00 0.00 O ATOM 450 CG2 THR A 28 17.501 7.562 6.041 1.00 0.00 C ATOM 0 H THR A 28 16.313 10.397 4.931 1.00 0.00 H new ATOM 0 HA THR A 28 17.625 8.145 3.547 1.00 0.00 H new ATOM 0 HB THR A 28 15.756 6.921 4.958 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.105 8.249 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.203 7.064 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.177 6.915 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.008 8.496 6.281 1.00 0.00 H new ATOM 458 N VAL A 29 15.863 7.362 1.971 1.00 0.00 N ATOM 459 CA VAL A 29 14.901 7.034 0.873 1.00 0.00 C ATOM 460 C VAL A 29 14.516 5.559 0.999 1.00 0.00 C ATOM 461 O VAL A 29 15.018 4.848 1.845 1.00 0.00 O ATOM 462 CB VAL A 29 15.580 7.247 -0.490 1.00 0.00 C ATOM 463 CG1 VAL A 29 14.660 7.955 -1.496 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.840 8.087 -0.325 1.00 0.00 C ATOM 0 H VAL A 29 16.701 6.781 1.988 1.00 0.00 H new ATOM 0 HA VAL A 29 14.022 7.674 0.947 1.00 0.00 H new ATOM 0 HB VAL A 29 15.822 6.256 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.185 8.082 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.765 7.354 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.376 8.932 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 29 17.311 8.231 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.578 9.057 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.533 7.575 0.342 1.00 0.00 H new ATOM 474 N THR A 30 13.640 5.091 0.158 1.00 0.00 N ATOM 475 CA THR A 30 13.243 3.657 0.229 1.00 0.00 C ATOM 476 C THR A 30 14.143 2.847 -0.709 1.00 0.00 C ATOM 477 O THR A 30 13.873 2.717 -1.887 1.00 0.00 O ATOM 478 CB THR A 30 11.783 3.505 -0.199 1.00 0.00 C ATOM 479 OG1 THR A 30 11.173 4.787 -0.259 1.00 0.00 O ATOM 480 CG2 THR A 30 11.043 2.632 0.815 1.00 0.00 C ATOM 0 H THR A 30 13.182 5.635 -0.573 1.00 0.00 H new ATOM 0 HA THR A 30 13.353 3.294 1.251 1.00 0.00 H new ATOM 0 HB THR A 30 11.738 3.035 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.237 4.692 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.002 2.523 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.512 1.649 0.860 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.086 3.100 1.798 1.00 0.00 H new ATOM 488 N ASP A 31 15.217 2.314 -0.196 1.00 0.00 N ATOM 489 CA ASP A 31 16.149 1.525 -1.053 1.00 0.00 C ATOM 490 C ASP A 31 15.392 0.394 -1.753 1.00 0.00 C ATOM 491 O ASP A 31 15.223 -0.681 -1.213 1.00 0.00 O ATOM 492 CB ASP A 31 17.258 0.930 -0.184 1.00 0.00 C ATOM 493 CG ASP A 31 18.462 0.580 -1.062 1.00 0.00 C ATOM 494 OD1 ASP A 31 18.929 1.459 -1.769 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.895 -0.558 -1.013 1.00 0.00 O ATOM 0 H ASP A 31 15.491 2.391 0.783 1.00 0.00 H new ATOM 0 HA ASP A 31 16.582 2.183 -1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.552 1.642 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.895 0.038 0.327 1.00 0.00 H new ATOM 500 N ILE A 32 14.940 0.625 -2.957 1.00 0.00 N ATOM 501 CA ILE A 32 14.198 -0.443 -3.695 1.00 0.00 C ATOM 502 C ILE A 32 15.191 -1.351 -4.428 1.00 0.00 C ATOM 503 O ILE A 32 14.940 -1.787 -5.533 1.00 0.00 O ATOM 504 CB ILE A 32 13.267 0.206 -4.732 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.117 0.819 -5.853 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.450 1.306 -4.060 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.755 0.161 -7.185 1.00 0.00 C ATOM 0 H ILE A 32 15.051 1.504 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 32 13.617 -1.030 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 32 12.595 -0.546 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.945 1.894 -5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.176 0.676 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.789 1.768 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.855 0.876 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.122 2.061 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.358 0.596 -7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.949 -0.910 -7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.699 0.327 -7.398 1.00 0.00 H new ATOM 519 N PHE A 33 16.319 -1.629 -3.837 1.00 0.00 N ATOM 520 CA PHE A 33 17.317 -2.495 -4.527 1.00 0.00 C ATOM 521 C PHE A 33 17.795 -3.615 -3.585 1.00 0.00 C ATOM 522 O PHE A 33 18.930 -4.043 -3.661 1.00 0.00 O ATOM 523 CB PHE A 33 18.509 -1.634 -4.945 1.00 0.00 C ATOM 524 CG PHE A 33 18.043 -0.600 -5.943 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.658 -0.994 -7.230 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.988 0.751 -5.582 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.220 -0.040 -8.155 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.548 1.708 -6.506 1.00 0.00 C ATOM 529 CZ PHE A 33 17.165 1.312 -7.794 1.00 0.00 C ATOM 0 H PHE A 33 16.593 -1.297 -2.912 1.00 0.00 H new ATOM 0 HA PHE A 33 16.857 -2.951 -5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.945 -1.146 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.288 -2.257 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.699 -2.036 -7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.285 1.056 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.924 -0.346 -9.148 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.504 2.750 -6.225 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.828 2.049 -8.508 1.00 0.00 H new ATOM 539 N ALA A 34 16.953 -4.103 -2.700 1.00 0.00 N ATOM 540 CA ALA A 34 17.397 -5.190 -1.783 1.00 0.00 C ATOM 541 C ALA A 34 16.241 -6.167 -1.556 1.00 0.00 C ATOM 542 O ALA A 34 15.818 -6.393 -0.440 1.00 0.00 O ATOM 543 CB ALA A 34 17.825 -4.585 -0.445 1.00 0.00 C ATOM 0 H ALA A 34 15.988 -3.795 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 34 18.240 -5.720 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.150 -5.380 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.647 -3.888 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.983 -4.055 0.001 1.00 0.00 H new ATOM 549 N ALA A 35 15.727 -6.749 -2.605 1.00 0.00 N ATOM 550 CA ALA A 35 14.600 -7.712 -2.444 1.00 0.00 C ATOM 551 C ALA A 35 14.160 -8.218 -3.821 1.00 0.00 C ATOM 552 O ALA A 35 13.140 -7.816 -4.344 1.00 0.00 O ATOM 553 CB ALA A 35 13.425 -7.009 -1.762 1.00 0.00 C ATOM 0 H ALA A 35 16.038 -6.600 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 35 14.926 -8.555 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.600 -7.711 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.737 -6.647 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.100 -6.167 -2.374 1.00 0.00 H new ATOM 559 N SER A 36 14.922 -9.099 -4.409 1.00 0.00 N ATOM 560 CA SER A 36 14.547 -9.633 -5.749 1.00 0.00 C ATOM 561 C SER A 36 14.101 -8.481 -6.652 1.00 0.00 C ATOM 562 O SER A 36 13.062 -8.536 -7.278 1.00 0.00 O ATOM 563 CB SER A 36 13.398 -10.631 -5.596 1.00 0.00 C ATOM 564 OG SER A 36 13.172 -10.885 -4.217 1.00 0.00 O ATOM 0 H SER A 36 15.788 -9.472 -4.020 1.00 0.00 H new ATOM 0 HA SER A 36 15.408 -10.132 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.493 -10.234 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.638 -11.560 -6.113 1.00 0.00 H new ATOM 0 HG SER A 36 12.435 -11.523 -4.118 1.00 0.00 H new ATOM 570 N LYS A 37 14.879 -7.435 -6.724 1.00 0.00 N ATOM 571 CA LYS A 37 14.499 -6.281 -7.588 1.00 0.00 C ATOM 572 C LYS A 37 15.101 -6.468 -8.983 1.00 0.00 C ATOM 573 O LYS A 37 15.184 -5.543 -9.762 1.00 0.00 O ATOM 574 CB LYS A 37 15.028 -4.985 -6.973 1.00 0.00 C ATOM 575 CG LYS A 37 13.998 -3.870 -7.170 1.00 0.00 C ATOM 576 CD LYS A 37 13.214 -3.665 -5.871 1.00 0.00 C ATOM 577 CE LYS A 37 12.075 -4.682 -5.795 1.00 0.00 C ATOM 578 NZ LYS A 37 12.204 -5.476 -4.542 1.00 0.00 N ATOM 0 H LYS A 37 15.761 -7.330 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 37 13.413 -6.228 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.226 -5.128 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.974 -4.708 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.498 -2.945 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.317 -4.128 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.876 -3.780 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.814 -2.652 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.113 -4.170 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.104 -5.342 -6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.266 -5.815 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.830 -6.290 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.607 -4.878 -3.792 1.00 0.00 H new ATOM 592 N ASN A 38 15.524 -7.662 -9.299 1.00 0.00 N ATOM 593 CA ASN A 38 16.121 -7.908 -10.643 1.00 0.00 C ATOM 594 C ASN A 38 15.015 -7.920 -11.704 1.00 0.00 C ATOM 595 O ASN A 38 15.274 -8.078 -12.879 1.00 0.00 O ATOM 596 CB ASN A 38 16.838 -9.260 -10.641 1.00 0.00 C ATOM 597 CG ASN A 38 18.230 -9.098 -10.029 1.00 0.00 C ATOM 598 OD1 ASN A 38 18.636 -8.003 -9.696 1.00 0.00 O ATOM 599 ND2 ASN A 38 18.983 -10.151 -9.865 1.00 0.00 N ATOM 0 H ASN A 38 15.482 -8.476 -8.686 1.00 0.00 H new ATOM 0 HA ASN A 38 16.834 -7.116 -10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.261 -9.989 -10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.919 -9.642 -11.659 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.913 -10.055 -9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.642 -11.071 -10.145 1.00 0.00 H new ATOM 606 N THR A 39 13.785 -7.756 -11.299 1.00 0.00 N ATOM 607 CA THR A 39 12.668 -7.760 -12.285 1.00 0.00 C ATOM 608 C THR A 39 13.028 -6.860 -13.471 1.00 0.00 C ATOM 609 O THR A 39 14.039 -6.185 -13.465 1.00 0.00 O ATOM 610 CB THR A 39 11.395 -7.237 -11.617 1.00 0.00 C ATOM 611 OG1 THR A 39 10.431 -6.929 -12.614 1.00 0.00 O ATOM 612 CG2 THR A 39 11.719 -5.979 -10.809 1.00 0.00 C ATOM 0 H THR A 39 13.506 -7.619 -10.328 1.00 0.00 H new ATOM 0 HA THR A 39 12.501 -8.777 -12.639 1.00 0.00 H new ATOM 0 HB THR A 39 10.995 -8.000 -10.949 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.576 -7.350 -12.384 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.811 -5.608 -10.334 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.457 -6.218 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.120 -5.213 -11.473 1.00 0.00 H new ATOM 620 N THR A 40 12.209 -6.847 -14.486 1.00 0.00 N ATOM 621 CA THR A 40 12.504 -5.992 -15.672 1.00 0.00 C ATOM 622 C THR A 40 12.943 -4.602 -15.206 1.00 0.00 C ATOM 623 O THR A 40 12.503 -4.110 -14.187 1.00 0.00 O ATOM 624 CB THR A 40 11.244 -5.866 -16.533 1.00 0.00 C ATOM 625 OG1 THR A 40 10.379 -6.960 -16.265 1.00 0.00 O ATOM 626 CG2 THR A 40 11.633 -5.870 -18.013 1.00 0.00 C ATOM 0 H THR A 40 11.348 -7.391 -14.546 1.00 0.00 H new ATOM 0 HA THR A 40 13.303 -6.447 -16.257 1.00 0.00 H new ATOM 0 HB THR A 40 10.733 -4.932 -16.297 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.793 -6.737 -15.511 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.736 -5.780 -18.625 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.297 -5.030 -18.217 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.144 -6.803 -18.252 1.00 0.00 H new ATOM 634 N GLU A 41 13.810 -3.965 -15.947 1.00 0.00 N ATOM 635 CA GLU A 41 14.275 -2.606 -15.544 1.00 0.00 C ATOM 636 C GLU A 41 13.065 -1.692 -15.354 1.00 0.00 C ATOM 637 O GLU A 41 12.949 -0.999 -14.365 1.00 0.00 O ATOM 638 CB GLU A 41 15.183 -2.031 -16.633 1.00 0.00 C ATOM 639 CG GLU A 41 16.229 -3.075 -17.031 1.00 0.00 C ATOM 640 CD GLU A 41 16.872 -3.660 -15.773 1.00 0.00 C ATOM 641 OE1 GLU A 41 16.955 -2.946 -14.787 1.00 0.00 O ATOM 642 OE2 GLU A 41 17.268 -4.812 -15.815 1.00 0.00 O ATOM 0 H GLU A 41 14.215 -4.325 -16.811 1.00 0.00 H new ATOM 0 HA GLU A 41 14.831 -2.675 -14.609 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.590 -1.745 -17.502 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.675 -1.128 -16.272 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.762 -3.868 -17.616 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.991 -2.619 -17.663 1.00 0.00 H new ATOM 649 N LYS A 42 12.161 -1.684 -16.292 1.00 0.00 N ATOM 650 CA LYS A 42 10.960 -0.813 -16.157 1.00 0.00 C ATOM 651 C LYS A 42 10.332 -1.035 -14.779 1.00 0.00 C ATOM 652 O LYS A 42 9.797 -0.126 -14.176 1.00 0.00 O ATOM 653 CB LYS A 42 9.945 -1.167 -17.246 1.00 0.00 C ATOM 654 CG LYS A 42 10.363 -0.513 -18.566 1.00 0.00 C ATOM 655 CD LYS A 42 9.734 -1.276 -19.735 1.00 0.00 C ATOM 656 CE LYS A 42 10.164 -0.633 -21.054 1.00 0.00 C ATOM 657 NZ LYS A 42 9.351 0.591 -21.299 1.00 0.00 N ATOM 0 H LYS A 42 12.201 -2.242 -17.145 1.00 0.00 H new ATOM 0 HA LYS A 42 11.251 0.232 -16.264 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.887 -2.249 -17.366 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.951 -0.825 -16.957 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.045 0.529 -18.585 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.449 -0.516 -18.658 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.043 -2.321 -19.710 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.647 -1.263 -19.649 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.223 -0.378 -21.018 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.034 -1.339 -21.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.644 0.396 -22.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.868 0.869 -20.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.973 1.364 -21.611 1.00 0.00 H new ATOM 671 N GLU A 43 10.400 -2.237 -14.274 1.00 0.00 N ATOM 672 CA GLU A 43 9.814 -2.515 -12.931 1.00 0.00 C ATOM 673 C GLU A 43 10.659 -1.827 -11.860 1.00 0.00 C ATOM 674 O GLU A 43 10.137 -1.250 -10.926 1.00 0.00 O ATOM 675 CB GLU A 43 9.797 -4.024 -12.681 1.00 0.00 C ATOM 676 CG GLU A 43 8.640 -4.372 -11.742 1.00 0.00 C ATOM 677 CD GLU A 43 7.715 -5.381 -12.424 1.00 0.00 C ATOM 678 OE1 GLU A 43 7.724 -5.435 -13.642 1.00 0.00 O ATOM 679 OE2 GLU A 43 7.011 -6.084 -11.716 1.00 0.00 O ATOM 0 H GLU A 43 10.835 -3.038 -14.732 1.00 0.00 H new ATOM 0 HA GLU A 43 8.794 -2.133 -12.892 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.687 -4.559 -13.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.743 -4.342 -12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.026 -4.788 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.084 -3.471 -11.483 1.00 0.00 H new ATOM 686 N THR A 44 11.961 -1.865 -11.984 1.00 0.00 N ATOM 687 CA THR A 44 12.803 -1.183 -10.956 1.00 0.00 C ATOM 688 C THR A 44 12.454 0.298 -10.982 1.00 0.00 C ATOM 689 O THR A 44 12.527 0.990 -9.990 1.00 0.00 O ATOM 690 CB THR A 44 14.309 -1.385 -11.229 1.00 0.00 C ATOM 691 OG1 THR A 44 15.029 -1.170 -10.024 1.00 0.00 O ATOM 692 CG2 THR A 44 14.802 -0.393 -12.289 1.00 0.00 C ATOM 0 H THR A 44 12.470 -2.329 -12.737 1.00 0.00 H new ATOM 0 HA THR A 44 12.600 -1.612 -9.975 1.00 0.00 H new ATOM 0 HB THR A 44 14.469 -2.400 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.748 -1.832 -9.950 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.866 -0.551 -12.468 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.251 -0.548 -13.217 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.640 0.626 -11.937 1.00 0.00 H new ATOM 700 N PHE A 45 12.062 0.771 -12.123 1.00 0.00 N ATOM 701 CA PHE A 45 11.673 2.200 -12.265 1.00 0.00 C ATOM 702 C PHE A 45 10.341 2.428 -11.548 1.00 0.00 C ATOM 703 O PHE A 45 10.061 3.506 -11.061 1.00 0.00 O ATOM 704 CB PHE A 45 11.526 2.535 -13.746 1.00 0.00 C ATOM 705 CG PHE A 45 12.911 2.544 -14.411 1.00 0.00 C ATOM 706 CD1 PHE A 45 14.080 2.362 -13.638 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.034 2.725 -15.802 1.00 0.00 C ATOM 708 CE1 PHE A 45 15.337 2.363 -14.250 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.298 2.722 -16.403 1.00 0.00 C ATOM 710 CZ PHE A 45 15.446 2.542 -15.628 1.00 0.00 C ATOM 0 H PHE A 45 11.992 0.222 -12.980 1.00 0.00 H new ATOM 0 HA PHE A 45 12.437 2.841 -11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.882 1.803 -14.233 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.048 3.508 -13.864 1.00 0.00 H new ATOM 0 HD1 PHE A 45 14.002 2.222 -12.570 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.151 2.867 -16.407 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.226 2.225 -13.653 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.386 2.859 -17.471 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.419 2.542 -16.097 1.00 0.00 H new ATOM 720 N CYS A 46 9.513 1.418 -11.491 1.00 0.00 N ATOM 721 CA CYS A 46 8.196 1.565 -10.820 1.00 0.00 C ATOM 722 C CYS A 46 8.401 1.697 -9.302 1.00 0.00 C ATOM 723 O CYS A 46 7.867 2.590 -8.672 1.00 0.00 O ATOM 724 CB CYS A 46 7.311 0.346 -11.184 1.00 0.00 C ATOM 725 SG CYS A 46 7.478 -0.996 -9.974 1.00 0.00 S ATOM 0 H CYS A 46 9.697 0.495 -11.884 1.00 0.00 H new ATOM 0 HA CYS A 46 7.689 2.468 -11.160 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.268 0.658 -11.239 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.586 -0.020 -12.173 1.00 0.00 H new ATOM 730 N ARG A 47 9.170 0.823 -8.712 1.00 0.00 N ATOM 731 CA ARG A 47 9.412 0.904 -7.243 1.00 0.00 C ATOM 732 C ARG A 47 10.303 2.109 -6.929 1.00 0.00 C ATOM 733 O ARG A 47 10.158 2.754 -5.909 1.00 0.00 O ATOM 734 CB ARG A 47 10.104 -0.376 -6.771 1.00 0.00 C ATOM 735 CG ARG A 47 9.867 -0.561 -5.270 1.00 0.00 C ATOM 736 CD ARG A 47 8.769 -1.602 -5.052 1.00 0.00 C ATOM 737 NE ARG A 47 9.044 -2.799 -5.898 1.00 0.00 N ATOM 738 CZ ARG A 47 8.151 -3.744 -6.004 1.00 0.00 C ATOM 739 NH1 ARG A 47 7.101 -3.745 -5.226 1.00 0.00 N ATOM 740 NH2 ARG A 47 8.306 -4.691 -6.888 1.00 0.00 N ATOM 0 H ARG A 47 9.643 0.053 -9.186 1.00 0.00 H new ATOM 0 HA ARG A 47 8.458 1.018 -6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.717 -1.235 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.173 -0.321 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.788 -0.881 -4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.579 0.388 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.728 -1.888 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.797 -1.179 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 47 9.931 -2.879 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.978 -3.006 -4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.404 -4.485 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.125 -4.692 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.608 -5.430 -6.971 1.00 0.00 H new ATOM 754 N ALA A 48 11.232 2.405 -7.794 1.00 0.00 N ATOM 755 CA ALA A 48 12.150 3.564 -7.543 1.00 0.00 C ATOM 756 C ALA A 48 11.381 4.865 -7.678 1.00 0.00 C ATOM 757 O ALA A 48 11.642 5.841 -7.006 1.00 0.00 O ATOM 758 CB ALA A 48 13.325 3.561 -8.534 1.00 0.00 C ATOM 0 H ALA A 48 11.400 1.899 -8.664 1.00 0.00 H new ATOM 0 HA ALA A 48 12.548 3.471 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.975 4.412 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.892 2.636 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.942 3.633 -9.552 1.00 0.00 H new ATOM 764 N ALA A 49 10.433 4.872 -8.543 1.00 0.00 N ATOM 765 CA ALA A 49 9.611 6.091 -8.750 1.00 0.00 C ATOM 766 C ALA A 49 8.721 6.301 -7.531 1.00 0.00 C ATOM 767 O ALA A 49 8.377 7.412 -7.179 1.00 0.00 O ATOM 768 CB ALA A 49 8.750 5.914 -10.002 1.00 0.00 C ATOM 0 H ALA A 49 10.180 4.077 -9.130 1.00 0.00 H new ATOM 0 HA ALA A 49 10.256 6.960 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.145 6.807 -10.157 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.394 5.757 -10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.096 5.051 -9.875 1.00 0.00 H new ATOM 774 N THR A 50 8.349 5.237 -6.879 1.00 0.00 N ATOM 775 CA THR A 50 7.486 5.371 -5.680 1.00 0.00 C ATOM 776 C THR A 50 8.288 6.017 -4.551 1.00 0.00 C ATOM 777 O THR A 50 7.790 6.856 -3.831 1.00 0.00 O ATOM 778 CB THR A 50 7.008 3.985 -5.239 1.00 0.00 C ATOM 779 OG1 THR A 50 6.413 3.319 -6.345 1.00 0.00 O ATOM 780 CG2 THR A 50 5.980 4.132 -4.116 1.00 0.00 C ATOM 0 H THR A 50 8.606 4.281 -7.126 1.00 0.00 H new ATOM 0 HA THR A 50 6.623 5.993 -5.917 1.00 0.00 H new ATOM 0 HB THR A 50 7.856 3.404 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.113 3.023 -6.964 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.640 3.145 -3.802 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.437 4.644 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.129 4.712 -4.475 1.00 0.00 H new ATOM 788 N VAL A 51 9.524 5.626 -4.379 1.00 0.00 N ATOM 789 CA VAL A 51 10.339 6.223 -3.281 1.00 0.00 C ATOM 790 C VAL A 51 10.702 7.671 -3.605 1.00 0.00 C ATOM 791 O VAL A 51 10.494 8.553 -2.800 1.00 0.00 O ATOM 792 CB VAL A 51 11.616 5.395 -3.059 1.00 0.00 C ATOM 793 CG1 VAL A 51 11.314 3.914 -3.269 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.707 5.816 -4.045 1.00 0.00 C ATOM 0 H VAL A 51 10.001 4.925 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 51 9.746 6.212 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 51 11.962 5.568 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.222 3.332 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.550 3.595 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.955 3.757 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.603 5.219 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.356 5.658 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.940 6.871 -3.901 1.00 0.00 H new ATOM 804 N LEU A 52 11.239 7.940 -4.764 1.00 0.00 N ATOM 805 CA LEU A 52 11.586 9.352 -5.073 1.00 0.00 C ATOM 806 C LEU A 52 10.304 10.177 -5.036 1.00 0.00 C ATOM 807 O LEU A 52 10.313 11.351 -4.722 1.00 0.00 O ATOM 808 CB LEU A 52 12.243 9.454 -6.451 1.00 0.00 C ATOM 809 CG LEU A 52 11.363 8.785 -7.502 1.00 0.00 C ATOM 810 CD1 LEU A 52 10.207 9.717 -7.871 1.00 0.00 C ATOM 811 CD2 LEU A 52 12.205 8.497 -8.744 1.00 0.00 C ATOM 0 H LEU A 52 11.448 7.259 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 52 12.296 9.729 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.401 10.501 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.224 8.979 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 52 10.959 7.853 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.579 9.238 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.612 9.929 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.605 10.649 -8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.584 8.018 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.603 9.432 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.029 7.835 -8.479 1.00 0.00 H new ATOM 823 N ARG A 53 9.195 9.564 -5.346 1.00 0.00 N ATOM 824 CA ARG A 53 7.904 10.297 -5.322 1.00 0.00 C ATOM 825 C ARG A 53 7.550 10.664 -3.877 1.00 0.00 C ATOM 826 O ARG A 53 7.177 11.782 -3.591 1.00 0.00 O ATOM 827 CB ARG A 53 6.802 9.410 -5.908 1.00 0.00 C ATOM 828 CG ARG A 53 5.433 10.023 -5.604 1.00 0.00 C ATOM 829 CD ARG A 53 4.375 9.389 -6.507 1.00 0.00 C ATOM 830 NE ARG A 53 3.244 10.341 -6.693 1.00 0.00 N ATOM 831 CZ ARG A 53 2.142 10.186 -6.011 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.617 8.999 -5.881 1.00 0.00 N ATOM 833 NH2 ARG A 53 1.564 11.219 -5.461 1.00 0.00 N ATOM 0 H ARG A 53 9.130 8.582 -5.616 1.00 0.00 H new ATOM 0 HA ARG A 53 7.993 11.207 -5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.936 9.310 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.865 8.407 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.176 9.862 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.463 11.101 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.812 9.134 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.014 8.461 -6.065 1.00 0.00 H new ATOM 0 HE ARG A 53 3.331 11.114 -7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.068 8.192 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.756 8.878 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.974 12.147 -5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.703 11.098 -4.928 1.00 0.00 H new ATOM 847 N GLN A 54 7.648 9.733 -2.962 1.00 0.00 N ATOM 848 CA GLN A 54 7.296 10.057 -1.546 1.00 0.00 C ATOM 849 C GLN A 54 8.310 11.029 -0.946 1.00 0.00 C ATOM 850 O GLN A 54 8.006 11.803 -0.061 1.00 0.00 O ATOM 851 CB GLN A 54 7.267 8.770 -0.718 1.00 0.00 C ATOM 852 CG GLN A 54 6.123 7.876 -1.202 1.00 0.00 C ATOM 853 CD GLN A 54 5.252 7.473 -0.011 1.00 0.00 C ATOM 854 OE1 GLN A 54 4.074 7.767 0.021 1.00 0.00 O ATOM 855 NE2 GLN A 54 5.786 6.807 0.976 1.00 0.00 N ATOM 0 H GLN A 54 7.953 8.774 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 54 6.313 10.527 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.217 8.244 -0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.135 9.007 0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.523 8.404 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.523 6.988 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.775 6.560 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.214 6.533 1.775 1.00 0.00 H new ATOM 864 N PHE A 55 9.508 10.968 -1.411 1.00 0.00 N ATOM 865 CA PHE A 55 10.587 11.848 -0.881 1.00 0.00 C ATOM 866 C PHE A 55 10.370 13.307 -1.298 1.00 0.00 C ATOM 867 O PHE A 55 10.371 14.200 -0.474 1.00 0.00 O ATOM 868 CB PHE A 55 11.911 11.349 -1.469 1.00 0.00 C ATOM 869 CG PHE A 55 13.062 12.156 -0.932 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.398 12.062 0.418 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.796 12.991 -1.785 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.468 12.802 0.925 1.00 0.00 C ATOM 873 CE2 PHE A 55 14.868 13.735 -1.278 1.00 0.00 C ATOM 874 CZ PHE A 55 15.204 13.640 0.081 1.00 0.00 C ATOM 0 H PHE A 55 9.803 10.334 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 55 10.589 11.810 0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.051 10.296 -1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.884 11.422 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.830 11.416 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.535 13.060 -2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.728 12.727 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.435 14.381 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.030 14.213 0.475 1.00 0.00 H new ATOM 884 N TYR A 56 10.193 13.565 -2.566 1.00 0.00 N ATOM 885 CA TYR A 56 9.988 14.980 -3.008 1.00 0.00 C ATOM 886 C TYR A 56 8.575 15.482 -2.614 1.00 0.00 C ATOM 887 O TYR A 56 8.428 16.605 -2.187 1.00 0.00 O ATOM 888 CB TYR A 56 10.222 15.127 -4.534 1.00 0.00 C ATOM 889 CG TYR A 56 8.941 14.936 -5.311 1.00 0.00 C ATOM 890 CD1 TYR A 56 8.361 13.666 -5.417 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.335 16.035 -5.936 1.00 0.00 C ATOM 892 CE1 TYR A 56 7.176 13.496 -6.144 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.151 15.864 -6.661 1.00 0.00 C ATOM 894 CZ TYR A 56 6.571 14.595 -6.765 1.00 0.00 C ATOM 895 OH TYR A 56 5.403 14.426 -7.481 1.00 0.00 O ATOM 0 H TYR A 56 10.181 12.867 -3.310 1.00 0.00 H new ATOM 0 HA TYR A 56 10.723 15.601 -2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.634 16.113 -4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.960 14.395 -4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.827 12.818 -4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.783 17.015 -5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.729 12.516 -6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.684 16.712 -7.141 1.00 0.00 H new ATOM 0 HH TYR A 56 5.296 13.480 -7.715 1.00 0.00 H new ATOM 905 N SER A 57 7.523 14.688 -2.781 1.00 0.00 N ATOM 906 CA SER A 57 6.158 15.193 -2.438 1.00 0.00 C ATOM 907 C SER A 57 5.952 15.335 -0.927 1.00 0.00 C ATOM 908 O SER A 57 5.473 16.344 -0.450 1.00 0.00 O ATOM 909 CB SER A 57 5.110 14.224 -2.991 1.00 0.00 C ATOM 910 OG SER A 57 5.666 13.491 -4.072 1.00 0.00 O ATOM 0 H SER A 57 7.561 13.732 -3.134 1.00 0.00 H new ATOM 0 HA SER A 57 6.052 16.182 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.780 13.542 -2.207 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.231 14.775 -3.325 1.00 0.00 H new ATOM 0 HG SER A 57 6.039 14.113 -4.731 1.00 0.00 H new ATOM 916 N HIS A 58 6.258 14.320 -0.170 1.00 0.00 N ATOM 917 CA HIS A 58 6.023 14.391 1.299 1.00 0.00 C ATOM 918 C HIS A 58 7.001 15.351 1.977 1.00 0.00 C ATOM 919 O HIS A 58 6.615 16.205 2.749 1.00 0.00 O ATOM 920 CB HIS A 58 6.209 12.994 1.895 1.00 0.00 C ATOM 921 CG HIS A 58 5.012 12.645 2.736 1.00 0.00 C ATOM 922 ND1 HIS A 58 5.068 12.608 4.120 1.00 0.00 N ATOM 923 CD2 HIS A 58 3.722 12.317 2.403 1.00 0.00 C ATOM 924 CE1 HIS A 58 3.845 12.266 4.566 1.00 0.00 C ATOM 925 NE2 HIS A 58 2.986 12.078 3.560 1.00 0.00 N ATOM 0 H HIS A 58 6.661 13.444 -0.504 1.00 0.00 H new ATOM 0 HA HIS A 58 5.011 14.758 1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.334 12.261 1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.114 12.963 2.501 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.336 12.254 1.396 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.589 12.157 5.610 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.002 11.816 3.626 1.00 0.00 H new ATOM 933 N HIS A 59 8.262 15.187 1.725 1.00 0.00 N ATOM 934 CA HIS A 59 9.276 16.064 2.395 1.00 0.00 C ATOM 935 C HIS A 59 9.249 17.494 1.846 1.00 0.00 C ATOM 936 O HIS A 59 9.563 18.428 2.557 1.00 0.00 O ATOM 937 CB HIS A 59 10.672 15.457 2.245 1.00 0.00 C ATOM 938 CG HIS A 59 10.625 14.027 2.718 1.00 0.00 C ATOM 939 ND1 HIS A 59 9.492 13.483 3.307 1.00 0.00 N ATOM 940 CD2 HIS A 59 11.556 13.020 2.702 1.00 0.00 C ATOM 941 CE1 HIS A 59 9.771 12.203 3.617 1.00 0.00 C ATOM 942 NE2 HIS A 59 11.016 11.870 3.269 1.00 0.00 N ATOM 0 H HIS A 59 8.644 14.488 1.087 1.00 0.00 H new ATOM 0 HA HIS A 59 9.020 16.121 3.453 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.995 15.501 1.205 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.397 16.025 2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.558 13.107 2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.073 11.528 4.090 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.473 10.967 3.392 1.00 0.00 H new ATOM 950 N GLU A 60 8.891 17.691 0.602 1.00 0.00 N ATOM 951 CA GLU A 60 8.872 19.089 0.064 1.00 0.00 C ATOM 952 C GLU A 60 8.221 20.008 1.099 1.00 0.00 C ATOM 953 O GLU A 60 8.560 21.168 1.219 1.00 0.00 O ATOM 954 CB GLU A 60 8.080 19.156 -1.246 1.00 0.00 C ATOM 955 CG GLU A 60 6.710 18.501 -1.063 1.00 0.00 C ATOM 956 CD GLU A 60 5.619 19.464 -1.533 1.00 0.00 C ATOM 957 OE1 GLU A 60 5.843 20.661 -1.463 1.00 0.00 O ATOM 958 OE2 GLU A 60 4.578 18.987 -1.955 1.00 0.00 O ATOM 0 H GLU A 60 8.616 16.961 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 60 9.895 19.407 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.958 20.194 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.631 18.651 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.660 17.572 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.555 18.242 -0.015 1.00 0.00 H new ATOM 965 N LYS A 61 7.297 19.488 1.859 1.00 0.00 N ATOM 966 CA LYS A 61 6.629 20.313 2.904 1.00 0.00 C ATOM 967 C LYS A 61 6.651 19.541 4.225 1.00 0.00 C ATOM 968 O LYS A 61 5.820 18.691 4.469 1.00 0.00 O ATOM 969 CB LYS A 61 5.178 20.587 2.496 1.00 0.00 C ATOM 970 CG LYS A 61 5.153 21.253 1.119 1.00 0.00 C ATOM 971 CD LYS A 61 4.191 22.443 1.146 1.00 0.00 C ATOM 972 CE LYS A 61 4.947 23.719 0.768 1.00 0.00 C ATOM 973 NZ LYS A 61 4.122 24.908 1.122 1.00 0.00 N ATOM 0 H LYS A 61 6.975 18.522 1.801 1.00 0.00 H new ATOM 0 HA LYS A 61 7.152 21.263 3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.614 19.655 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.697 21.231 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.154 21.587 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.839 20.535 0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.369 22.275 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.753 22.548 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.902 23.757 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.168 23.721 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.635 25.775 0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.221 24.872 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.933 24.907 2.145 1.00 0.00 H new ATOM 987 N ASP A 62 7.602 19.824 5.077 1.00 0.00 N ATOM 988 CA ASP A 62 7.679 19.097 6.373 1.00 0.00 C ATOM 989 C ASP A 62 8.993 19.448 7.058 1.00 0.00 C ATOM 990 O ASP A 62 9.604 18.630 7.717 1.00 0.00 O ATOM 991 CB ASP A 62 7.625 17.593 6.123 1.00 0.00 C ATOM 992 CG ASP A 62 6.594 16.956 7.058 1.00 0.00 C ATOM 993 OD1 ASP A 62 5.566 17.573 7.282 1.00 0.00 O ATOM 994 OD2 ASP A 62 6.850 15.862 7.532 1.00 0.00 O ATOM 0 H ASP A 62 8.326 20.527 4.929 1.00 0.00 H new ATOM 0 HA ASP A 62 6.840 19.386 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.360 17.396 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.607 17.150 6.291 1.00 0.00 H new ATOM 999 N THR A 63 9.439 20.657 6.888 1.00 0.00 N ATOM 1000 CA THR A 63 10.725 21.078 7.510 1.00 0.00 C ATOM 1001 C THR A 63 11.756 19.973 7.298 1.00 0.00 C ATOM 1002 O THR A 63 12.681 19.806 8.069 1.00 0.00 O ATOM 1003 CB THR A 63 10.527 21.334 9.009 1.00 0.00 C ATOM 1004 OG1 THR A 63 11.673 21.992 9.529 1.00 0.00 O ATOM 1005 CG2 THR A 63 10.320 20.010 9.746 1.00 0.00 C ATOM 0 H THR A 63 8.967 21.378 6.342 1.00 0.00 H new ATOM 0 HA THR A 63 11.074 22.001 7.047 1.00 0.00 H new ATOM 0 HB THR A 63 9.646 21.960 9.151 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.482 21.584 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.180 20.204 10.810 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.438 19.507 9.350 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.194 19.374 9.605 1.00 0.00 H new ATOM 1013 N ARG A 64 11.600 19.217 6.247 1.00 0.00 N ATOM 1014 CA ARG A 64 12.561 18.119 5.961 1.00 0.00 C ATOM 1015 C ARG A 64 13.642 18.639 5.016 1.00 0.00 C ATOM 1016 O ARG A 64 13.558 18.485 3.815 1.00 0.00 O ATOM 1017 CB ARG A 64 11.823 16.952 5.301 1.00 0.00 C ATOM 1018 CG ARG A 64 11.061 16.161 6.366 1.00 0.00 C ATOM 1019 CD ARG A 64 12.024 15.222 7.091 1.00 0.00 C ATOM 1020 NE ARG A 64 11.503 13.827 7.025 1.00 0.00 N ATOM 1021 CZ ARG A 64 12.307 12.819 7.226 1.00 0.00 C ATOM 1022 NH1 ARG A 64 13.314 12.942 8.048 1.00 0.00 N ATOM 1023 NH2 ARG A 64 12.105 11.689 6.607 1.00 0.00 N ATOM 0 H ARG A 64 10.843 19.314 5.571 1.00 0.00 H new ATOM 0 HA ARG A 64 13.017 17.776 6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.131 17.326 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.533 16.302 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.597 16.843 7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.257 15.588 5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.012 15.274 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.136 15.531 8.130 1.00 0.00 H new ATOM 0 HE ARG A 64 10.517 13.660 6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.472 13.826 8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.943 12.155 8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.318 11.593 5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.734 10.902 6.765 1.00 0.00 H new ATOM 1037 N CYS A 65 14.653 19.261 5.556 1.00 0.00 N ATOM 1038 CA CYS A 65 15.748 19.805 4.702 1.00 0.00 C ATOM 1039 C CYS A 65 15.243 21.012 3.912 1.00 0.00 C ATOM 1040 O CYS A 65 15.561 21.178 2.750 1.00 0.00 O ATOM 1041 CB CYS A 65 16.232 18.729 3.727 1.00 0.00 C ATOM 1042 SG CYS A 65 17.710 19.324 2.870 1.00 0.00 S ATOM 0 H CYS A 65 14.769 19.417 6.557 1.00 0.00 H new ATOM 0 HA CYS A 65 16.574 20.112 5.344 1.00 0.00 H new ATOM 0 HB2 CYS A 65 16.455 17.808 4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.448 18.495 3.006 1.00 0.00 H new ATOM 1047 N LEU A 66 14.463 21.863 4.523 1.00 0.00 N ATOM 1048 CA LEU A 66 13.957 23.054 3.788 1.00 0.00 C ATOM 1049 C LEU A 66 15.109 24.038 3.573 1.00 0.00 C ATOM 1050 O LEU A 66 15.255 24.609 2.511 1.00 0.00 O ATOM 1051 CB LEU A 66 12.845 23.726 4.595 1.00 0.00 C ATOM 1052 CG LEU A 66 11.516 23.558 3.854 1.00 0.00 C ATOM 1053 CD1 LEU A 66 10.978 22.144 4.085 1.00 0.00 C ATOM 1054 CD2 LEU A 66 10.504 24.579 4.375 1.00 0.00 C ATOM 0 H LEU A 66 14.157 21.785 5.493 1.00 0.00 H new ATOM 0 HA LEU A 66 13.556 22.745 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.780 23.282 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.067 24.784 4.733 1.00 0.00 H new ATOM 0 HG LEU A 66 11.675 23.718 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.032 22.024 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.697 21.415 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.822 21.984 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.559 24.457 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.345 24.422 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.885 25.587 4.209 1.00 0.00 H new ATOM 1066 N GLY A 67 15.936 24.234 4.565 1.00 0.00 N ATOM 1067 CA GLY A 67 17.082 25.171 4.398 1.00 0.00 C ATOM 1068 C GLY A 67 17.178 26.118 5.602 1.00 0.00 C ATOM 1069 O GLY A 67 18.257 26.379 6.095 1.00 0.00 O ATOM 0 H GLY A 67 15.867 23.787 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 67 18.009 24.607 4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.957 25.748 3.482 1.00 0.00 H new ATOM 1073 N ALA A 68 16.063 26.653 6.065 1.00 0.00 N ATOM 1074 CA ALA A 68 16.092 27.600 7.226 1.00 0.00 C ATOM 1075 C ALA A 68 16.316 29.024 6.705 1.00 0.00 C ATOM 1076 O ALA A 68 15.896 29.989 7.310 1.00 0.00 O ATOM 1077 CB ALA A 68 17.212 27.223 8.201 1.00 0.00 C ATOM 0 H ALA A 68 15.135 26.471 5.684 1.00 0.00 H new ATOM 0 HA ALA A 68 15.141 27.543 7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.217 27.922 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.045 26.212 8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.172 27.266 7.687 1.00 0.00 H new ATOM 1083 N THR A 69 16.958 29.155 5.577 1.00 0.00 N ATOM 1084 CA THR A 69 17.193 30.507 4.996 1.00 0.00 C ATOM 1085 C THR A 69 16.225 30.690 3.827 1.00 0.00 C ATOM 1086 O THR A 69 16.221 29.890 2.922 1.00 0.00 O ATOM 1087 CB THR A 69 18.632 30.590 4.479 1.00 0.00 C ATOM 1088 OG1 THR A 69 19.525 30.155 5.494 1.00 0.00 O ATOM 1089 CG2 THR A 69 18.955 32.035 4.097 1.00 0.00 C ATOM 0 H THR A 69 17.332 28.380 5.030 1.00 0.00 H new ATOM 0 HA THR A 69 17.036 31.281 5.748 1.00 0.00 H new ATOM 0 HB THR A 69 18.741 29.952 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 69 20.446 30.206 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 69 19.979 32.094 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 69 18.270 32.367 3.317 1.00 0.00 H new ATOM 0 HG23 THR A 69 18.847 32.676 4.972 1.00 0.00 H new ATOM 1097 N ALA A 70 15.402 31.713 3.809 1.00 0.00 N ATOM 1098 CA ALA A 70 14.479 31.860 2.656 1.00 0.00 C ATOM 1099 C ALA A 70 15.291 31.692 1.374 1.00 0.00 C ATOM 1100 O ALA A 70 14.791 31.251 0.359 1.00 0.00 O ATOM 1101 CB ALA A 70 13.837 33.248 2.682 1.00 0.00 C ATOM 0 H ALA A 70 15.335 32.433 4.528 1.00 0.00 H new ATOM 0 HA ALA A 70 13.690 31.109 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.160 33.352 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.278 33.373 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.614 34.010 2.621 1.00 0.00 H new ATOM 1107 N GLN A 71 16.550 32.036 1.419 1.00 0.00 N ATOM 1108 CA GLN A 71 17.405 31.887 0.204 1.00 0.00 C ATOM 1109 C GLN A 71 17.675 30.406 -0.065 1.00 0.00 C ATOM 1110 O GLN A 71 17.502 29.925 -1.167 1.00 0.00 O ATOM 1111 CB GLN A 71 18.732 32.620 0.418 1.00 0.00 C ATOM 1112 CG GLN A 71 19.577 32.527 -0.855 1.00 0.00 C ATOM 1113 CD GLN A 71 19.183 33.650 -1.814 1.00 0.00 C ATOM 1114 OE1 GLN A 71 19.574 34.786 -1.630 1.00 0.00 O ATOM 1115 NE2 GLN A 71 18.421 33.381 -2.838 1.00 0.00 N ATOM 0 H GLN A 71 17.023 32.412 2.241 1.00 0.00 H new ATOM 0 HA GLN A 71 16.886 32.317 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.547 33.664 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.271 32.181 1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 71 20.636 32.601 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.429 31.558 -1.332 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.093 32.428 -2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.154 34.124 -3.484 1.00 0.00 H new ATOM 1124 N GLN A 72 18.104 29.681 0.930 1.00 0.00 N ATOM 1125 CA GLN A 72 18.390 28.234 0.728 1.00 0.00 C ATOM 1126 C GLN A 72 17.109 27.517 0.298 1.00 0.00 C ATOM 1127 O GLN A 72 17.142 26.530 -0.411 1.00 0.00 O ATOM 1128 CB GLN A 72 18.915 27.630 2.037 1.00 0.00 C ATOM 1129 CG GLN A 72 20.089 26.672 1.759 1.00 0.00 C ATOM 1130 CD GLN A 72 19.842 25.897 0.459 1.00 0.00 C ATOM 1131 OE1 GLN A 72 18.879 25.166 0.348 1.00 0.00 O ATOM 1132 NE2 GLN A 72 20.681 26.028 -0.532 1.00 0.00 N ATOM 0 H GLN A 72 18.269 30.028 1.875 1.00 0.00 H new ATOM 0 HA GLN A 72 19.145 28.114 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.239 28.426 2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.113 27.094 2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 72 21.019 27.236 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.205 25.976 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 72 21.490 26.642 -0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.528 25.516 -1.401 1.00 0.00 H new ATOM 1141 N PHE A 73 15.979 28.011 0.721 1.00 0.00 N ATOM 1142 CA PHE A 73 14.690 27.374 0.344 1.00 0.00 C ATOM 1143 C PHE A 73 14.553 27.354 -1.178 1.00 0.00 C ATOM 1144 O PHE A 73 13.920 26.484 -1.734 1.00 0.00 O ATOM 1145 CB PHE A 73 13.531 28.170 0.950 1.00 0.00 C ATOM 1146 CG PHE A 73 12.230 27.453 0.674 1.00 0.00 C ATOM 1147 CD1 PHE A 73 11.914 26.284 1.375 1.00 0.00 C ATOM 1148 CD2 PHE A 73 11.340 27.962 -0.280 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.707 25.621 1.120 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.133 27.299 -0.534 1.00 0.00 C ATOM 1151 CZ PHE A 73 9.817 26.128 0.166 1.00 0.00 C ATOM 0 H PHE A 73 15.894 28.835 1.316 1.00 0.00 H new ATOM 0 HA PHE A 73 14.668 26.352 0.723 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.676 28.283 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 73 13.503 29.173 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.600 25.893 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.584 28.865 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.463 24.718 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.446 27.691 -1.270 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.887 25.616 -0.030 1.00 0.00 H new ATOM 1161 N HIS A 74 15.129 28.308 -1.860 1.00 0.00 N ATOM 1162 CA HIS A 74 15.010 28.325 -3.345 1.00 0.00 C ATOM 1163 C HIS A 74 15.682 27.098 -3.936 1.00 0.00 C ATOM 1164 O HIS A 74 15.218 26.506 -4.887 1.00 0.00 O ATOM 1165 CB HIS A 74 15.668 29.587 -3.899 1.00 0.00 C ATOM 1166 CG HIS A 74 14.871 30.100 -5.067 1.00 0.00 C ATOM 1167 ND1 HIS A 74 13.921 29.324 -5.712 1.00 0.00 N ATOM 1168 CD2 HIS A 74 14.871 31.310 -5.717 1.00 0.00 C ATOM 1169 CE1 HIS A 74 13.394 30.067 -6.702 1.00 0.00 C ATOM 1170 NE2 HIS A 74 13.939 31.286 -6.749 1.00 0.00 N ATOM 0 H HIS A 74 15.673 29.071 -1.456 1.00 0.00 H new ATOM 0 HA HIS A 74 13.954 28.317 -3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 74 15.726 30.350 -3.123 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.690 29.370 -4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.499 32.152 -5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.625 29.721 -7.376 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.719 32.038 -7.402 1.00 0.00 H new ATOM 1178 N ARG A 75 16.766 26.723 -3.365 1.00 0.00 N ATOM 1179 CA ARG A 75 17.508 25.526 -3.857 1.00 0.00 C ATOM 1180 C ARG A 75 16.705 24.268 -3.527 1.00 0.00 C ATOM 1181 O ARG A 75 16.465 23.432 -4.374 1.00 0.00 O ATOM 1182 CB ARG A 75 18.876 25.455 -3.175 1.00 0.00 C ATOM 1183 CG ARG A 75 19.932 25.025 -4.195 1.00 0.00 C ATOM 1184 CD ARG A 75 21.213 25.833 -3.978 1.00 0.00 C ATOM 1185 NE ARG A 75 22.309 24.920 -3.549 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.229 24.558 -4.401 1.00 0.00 C ATOM 1187 NH1 ARG A 75 24.266 25.324 -4.605 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.111 23.431 -5.049 1.00 0.00 N ATOM 0 H ARG A 75 17.189 27.192 -2.564 1.00 0.00 H new ATOM 0 HA ARG A 75 17.648 25.599 -4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.136 26.426 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.845 24.747 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.140 23.960 -4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.559 25.180 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.492 26.346 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.048 26.601 -3.222 1.00 0.00 H new ATOM 0 HE ARG A 75 22.341 24.578 -2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 75 24.357 26.205 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.985 25.042 -5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.300 22.833 -4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 75 23.830 23.148 -5.715 1.00 0.00 H new ATOM 1202 N HIS A 76 16.282 24.134 -2.303 1.00 0.00 N ATOM 1203 CA HIS A 76 15.485 22.937 -1.912 1.00 0.00 C ATOM 1204 C HIS A 76 14.263 22.828 -2.830 1.00 0.00 C ATOM 1205 O HIS A 76 13.843 21.750 -3.203 1.00 0.00 O ATOM 1206 CB HIS A 76 15.033 23.094 -0.455 1.00 0.00 C ATOM 1207 CG HIS A 76 13.924 22.126 -0.142 1.00 0.00 C ATOM 1208 ND1 HIS A 76 14.074 20.756 -0.281 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.645 22.317 0.318 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.915 20.181 0.092 1.00 0.00 C ATOM 1211 NE2 HIS A 76 12.010 21.090 0.466 1.00 0.00 N ATOM 0 H HIS A 76 16.454 24.803 -1.553 1.00 0.00 H new ATOM 0 HA HIS A 76 16.088 22.034 -2.008 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.876 22.920 0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.693 24.115 -0.281 1.00 0.00 H new ATOM 0 HD1 HIS A 76 14.910 20.271 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.199 23.277 0.533 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.739 19.116 0.089 1.00 0.00 H new ATOM 1219 N LYS A 77 13.693 23.942 -3.194 1.00 0.00 N ATOM 1220 CA LYS A 77 12.493 23.921 -4.091 1.00 0.00 C ATOM 1221 C LYS A 77 12.906 23.505 -5.506 1.00 0.00 C ATOM 1222 O LYS A 77 12.203 22.791 -6.189 1.00 0.00 O ATOM 1223 CB LYS A 77 11.832 25.321 -4.109 1.00 0.00 C ATOM 1224 CG LYS A 77 12.157 26.091 -5.400 1.00 0.00 C ATOM 1225 CD LYS A 77 11.303 25.551 -6.550 1.00 0.00 C ATOM 1226 CE LYS A 77 10.420 26.672 -7.099 1.00 0.00 C ATOM 1227 NZ LYS A 77 9.700 26.189 -8.311 1.00 0.00 N ATOM 0 H LYS A 77 14.004 24.871 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 77 11.772 23.196 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.752 25.214 -4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.174 25.895 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.964 27.155 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.215 25.988 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.944 25.158 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.684 24.724 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.705 26.990 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.029 27.541 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.099 26.951 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.391 25.906 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.107 25.372 -8.060 1.00 0.00 H new ATOM 1241 N GLN A 78 14.026 23.987 -5.956 1.00 0.00 N ATOM 1242 CA GLN A 78 14.493 23.673 -7.340 1.00 0.00 C ATOM 1243 C GLN A 78 14.802 22.179 -7.510 1.00 0.00 C ATOM 1244 O GLN A 78 14.398 21.569 -8.476 1.00 0.00 O ATOM 1245 CB GLN A 78 15.757 24.482 -7.637 1.00 0.00 C ATOM 1246 CG GLN A 78 16.283 24.116 -9.025 1.00 0.00 C ATOM 1247 CD GLN A 78 16.810 25.373 -9.721 1.00 0.00 C ATOM 1248 OE1 GLN A 78 17.353 26.252 -9.082 1.00 0.00 O ATOM 1249 NE2 GLN A 78 16.668 25.498 -11.012 1.00 0.00 N ATOM 0 H GLN A 78 14.649 24.593 -5.421 1.00 0.00 H new ATOM 0 HA GLN A 78 13.694 23.935 -8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.538 25.549 -7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.517 24.278 -6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.078 23.375 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.488 23.665 -9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.212 24.760 -11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.013 26.334 -11.484 1.00 0.00 H new ATOM 1258 N LEU A 79 15.534 21.586 -6.605 1.00 0.00 N ATOM 1259 CA LEU A 79 15.875 20.144 -6.761 1.00 0.00 C ATOM 1260 C LEU A 79 14.635 19.284 -6.540 1.00 0.00 C ATOM 1261 O LEU A 79 14.439 18.316 -7.230 1.00 0.00 O ATOM 1262 CB LEU A 79 17.002 19.752 -5.792 1.00 0.00 C ATOM 1263 CG LEU A 79 16.453 19.499 -4.383 1.00 0.00 C ATOM 1264 CD1 LEU A 79 16.325 17.993 -4.150 1.00 0.00 C ATOM 1265 CD2 LEU A 79 17.414 20.091 -3.351 1.00 0.00 C ATOM 0 H LEU A 79 15.908 22.035 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 79 16.231 19.972 -7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.504 18.856 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 79 17.749 20.545 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 79 15.474 19.968 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.935 17.812 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.644 17.567 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.305 17.525 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 79 17.026 19.913 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.391 19.619 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 79 17.510 21.164 -3.517 1.00 0.00 H new ATOM 1277 N ILE A 80 13.789 19.623 -5.609 1.00 0.00 N ATOM 1278 CA ILE A 80 12.556 18.804 -5.411 1.00 0.00 C ATOM 1279 C ILE A 80 11.623 19.030 -6.614 1.00 0.00 C ATOM 1280 O ILE A 80 10.872 18.157 -7.001 1.00 0.00 O ATOM 1281 CB ILE A 80 11.860 19.242 -4.114 1.00 0.00 C ATOM 1282 CG1 ILE A 80 12.498 18.490 -2.933 1.00 0.00 C ATOM 1283 CG2 ILE A 80 10.356 18.930 -4.187 1.00 0.00 C ATOM 1284 CD1 ILE A 80 11.513 18.396 -1.761 1.00 0.00 C ATOM 0 H ILE A 80 13.893 20.421 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 80 12.808 17.746 -5.336 1.00 0.00 H new ATOM 0 HB ILE A 80 11.981 20.317 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.794 17.489 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 80 13.404 19.004 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.874 19.245 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.914 19.465 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.213 17.858 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.981 17.861 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.239 19.399 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.619 17.861 -2.080 1.00 0.00 H new ATOM 1296 N ARG A 81 11.677 20.191 -7.218 1.00 0.00 N ATOM 1297 CA ARG A 81 10.808 20.453 -8.399 1.00 0.00 C ATOM 1298 C ARG A 81 11.285 19.545 -9.519 1.00 0.00 C ATOM 1299 O ARG A 81 10.519 18.809 -10.113 1.00 0.00 O ATOM 1300 CB ARG A 81 10.939 21.917 -8.826 1.00 0.00 C ATOM 1301 CG ARG A 81 9.664 22.354 -9.548 1.00 0.00 C ATOM 1302 CD ARG A 81 9.986 23.499 -10.508 1.00 0.00 C ATOM 1303 NE ARG A 81 10.082 22.971 -11.898 1.00 0.00 N ATOM 1304 CZ ARG A 81 9.784 23.739 -12.910 1.00 0.00 C ATOM 1305 NH1 ARG A 81 9.728 25.033 -12.752 1.00 0.00 N ATOM 1306 NH2 ARG A 81 9.543 23.213 -14.079 1.00 0.00 N ATOM 0 H ARG A 81 12.284 20.964 -6.944 1.00 0.00 H new ATOM 0 HA ARG A 81 9.762 20.259 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.110 22.547 -7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.801 22.040 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.239 21.514 -10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.915 22.673 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.212 24.264 -10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.925 23.974 -10.222 1.00 0.00 H new ATOM 0 HE ARG A 81 10.381 22.009 -12.059 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.917 25.444 -11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.495 25.634 -13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.587 22.201 -14.202 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.310 23.813 -14.870 1.00 0.00 H new ATOM 1320 N PHE A 82 12.560 19.559 -9.781 1.00 0.00 N ATOM 1321 CA PHE A 82 13.112 18.675 -10.809 1.00 0.00 C ATOM 1322 C PHE A 82 12.892 17.242 -10.319 1.00 0.00 C ATOM 1323 O PHE A 82 12.697 16.327 -11.095 1.00 0.00 O ATOM 1324 CB PHE A 82 14.597 18.997 -10.951 1.00 0.00 C ATOM 1325 CG PHE A 82 14.772 20.145 -11.916 1.00 0.00 C ATOM 1326 CD1 PHE A 82 13.841 21.190 -11.939 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.866 20.163 -12.790 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.003 22.253 -12.834 1.00 0.00 C ATOM 1329 CE2 PHE A 82 16.029 21.227 -13.685 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.097 22.272 -13.708 1.00 0.00 C ATOM 0 H PHE A 82 13.242 20.157 -9.314 1.00 0.00 H new ATOM 0 HA PHE A 82 12.638 18.802 -11.782 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.018 19.257 -9.980 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.138 18.121 -11.309 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.997 21.176 -11.265 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.584 19.356 -12.774 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.284 23.059 -12.851 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.874 21.242 -14.358 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.222 23.092 -14.399 1.00 0.00 H new ATOM 1340 N LEU A 83 12.875 17.055 -9.017 1.00 0.00 N ATOM 1341 CA LEU A 83 12.620 15.708 -8.453 1.00 0.00 C ATOM 1342 C LEU A 83 11.219 15.278 -8.866 1.00 0.00 C ATOM 1343 O LEU A 83 10.933 14.115 -9.071 1.00 0.00 O ATOM 1344 CB LEU A 83 12.718 15.807 -6.932 1.00 0.00 C ATOM 1345 CG LEU A 83 14.172 15.611 -6.511 1.00 0.00 C ATOM 1346 CD1 LEU A 83 14.328 15.847 -5.008 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.597 14.184 -6.823 1.00 0.00 C ATOM 0 H LEU A 83 13.029 17.789 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 83 13.343 14.978 -8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.357 16.778 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 83 12.086 15.052 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 83 14.792 16.323 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.370 15.703 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.023 16.865 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.702 15.141 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.635 14.040 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.962 13.487 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.499 14.001 -7.893 1.00 0.00 H new ATOM 1359 N LYS A 84 10.356 16.234 -9.000 1.00 0.00 N ATOM 1360 CA LYS A 84 8.955 15.949 -9.417 1.00 0.00 C ATOM 1361 C LYS A 84 8.943 15.527 -10.882 1.00 0.00 C ATOM 1362 O LYS A 84 8.325 14.549 -11.246 1.00 0.00 O ATOM 1363 CB LYS A 84 8.102 17.207 -9.238 1.00 0.00 C ATOM 1364 CG LYS A 84 6.686 16.939 -9.753 1.00 0.00 C ATOM 1365 CD LYS A 84 6.422 17.799 -10.991 1.00 0.00 C ATOM 1366 CE LYS A 84 5.691 19.076 -10.578 1.00 0.00 C ATOM 1367 NZ LYS A 84 4.328 19.086 -11.183 1.00 0.00 N ATOM 0 H LYS A 84 10.560 17.220 -8.837 1.00 0.00 H new ATOM 0 HA LYS A 84 8.546 15.147 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.070 17.492 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.546 18.041 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.571 15.883 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.956 17.167 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.363 18.048 -11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.824 17.242 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.619 19.131 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.252 19.951 -10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.830 19.955 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.408 19.052 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.794 18.258 -10.850 1.00 0.00 H new ATOM 1381 N ARG A 85 9.625 16.244 -11.733 1.00 0.00 N ATOM 1382 CA ARG A 85 9.641 15.851 -13.168 1.00 0.00 C ATOM 1383 C ARG A 85 10.011 14.379 -13.254 1.00 0.00 C ATOM 1384 O ARG A 85 9.514 13.637 -14.076 1.00 0.00 O ATOM 1385 CB ARG A 85 10.673 16.692 -13.924 1.00 0.00 C ATOM 1386 CG ARG A 85 10.294 18.170 -13.828 1.00 0.00 C ATOM 1387 CD ARG A 85 11.186 18.987 -14.766 1.00 0.00 C ATOM 1388 NE ARG A 85 10.334 19.767 -15.708 1.00 0.00 N ATOM 1389 CZ ARG A 85 10.081 19.297 -16.899 1.00 0.00 C ATOM 1390 NH1 ARG A 85 11.061 19.057 -17.726 1.00 0.00 N ATOM 1391 NH2 ARG A 85 8.849 19.067 -17.262 1.00 0.00 N ATOM 0 H ARG A 85 10.166 17.076 -11.499 1.00 0.00 H new ATOM 0 HA ARG A 85 8.661 16.018 -13.615 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.666 16.532 -13.504 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.715 16.383 -14.969 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.246 18.306 -14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.409 18.520 -12.802 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.819 19.661 -14.188 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.850 18.325 -15.322 1.00 0.00 H new ATOM 0 HE ARG A 85 9.949 20.667 -15.422 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.024 19.237 -17.442 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.864 18.690 -18.657 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.083 19.255 -16.615 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.652 18.700 -18.193 1.00 0.00 H new ATOM 1405 N LEU A 86 10.886 13.962 -12.395 1.00 0.00 N ATOM 1406 CA LEU A 86 11.322 12.537 -12.380 1.00 0.00 C ATOM 1407 C LEU A 86 10.181 11.638 -11.878 1.00 0.00 C ATOM 1408 O LEU A 86 10.029 10.519 -12.324 1.00 0.00 O ATOM 1409 CB LEU A 86 12.531 12.390 -11.451 1.00 0.00 C ATOM 1410 CG LEU A 86 13.155 11.003 -11.631 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.373 10.729 -13.121 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.501 10.954 -10.904 1.00 0.00 C ATOM 0 H LEU A 86 11.328 14.552 -11.690 1.00 0.00 H new ATOM 0 HA LEU A 86 11.591 12.235 -13.392 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.268 13.162 -11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.224 12.530 -10.414 1.00 0.00 H new ATOM 0 HG LEU A 86 12.487 10.248 -11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.817 9.742 -13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.416 10.766 -13.642 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.041 11.484 -13.536 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.947 9.968 -11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.167 11.710 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.349 11.150 -9.843 1.00 0.00 H new ATOM 1424 N ASP A 87 9.393 12.098 -10.941 1.00 0.00 N ATOM 1425 CA ASP A 87 8.290 11.247 -10.413 1.00 0.00 C ATOM 1426 C ASP A 87 7.184 11.066 -11.464 1.00 0.00 C ATOM 1427 O ASP A 87 6.745 9.964 -11.726 1.00 0.00 O ATOM 1428 CB ASP A 87 7.702 11.897 -9.157 1.00 0.00 C ATOM 1429 CG ASP A 87 6.581 11.016 -8.604 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.529 9.855 -8.976 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.792 11.516 -7.820 1.00 0.00 O ATOM 0 H ASP A 87 9.467 13.024 -10.521 1.00 0.00 H new ATOM 0 HA ASP A 87 8.696 10.265 -10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.480 12.029 -8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.316 12.888 -9.394 1.00 0.00 H new ATOM 1436 N ARG A 88 6.715 12.134 -12.052 1.00 0.00 N ATOM 1437 CA ARG A 88 5.627 12.016 -13.064 1.00 0.00 C ATOM 1438 C ARG A 88 6.151 11.359 -14.346 1.00 0.00 C ATOM 1439 O ARG A 88 5.519 10.491 -14.913 1.00 0.00 O ATOM 1440 CB ARG A 88 5.098 13.413 -13.398 1.00 0.00 C ATOM 1441 CG ARG A 88 4.032 13.812 -12.375 1.00 0.00 C ATOM 1442 CD ARG A 88 3.114 14.875 -12.983 1.00 0.00 C ATOM 1443 NE ARG A 88 1.694 14.522 -12.704 1.00 0.00 N ATOM 1444 CZ ARG A 88 0.900 15.401 -12.156 1.00 0.00 C ATOM 1445 NH1 ARG A 88 0.592 16.493 -12.799 1.00 0.00 N ATOM 1446 NH2 ARG A 88 0.413 15.186 -10.963 1.00 0.00 N ATOM 0 H ARG A 88 7.040 13.085 -11.874 1.00 0.00 H new ATOM 0 HA ARG A 88 4.830 11.398 -12.652 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.915 14.135 -13.389 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.675 13.423 -14.403 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.450 12.939 -12.081 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.505 14.198 -11.472 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.346 15.854 -12.564 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.279 14.942 -14.058 1.00 0.00 H new ATOM 0 HE ARG A 88 1.343 13.594 -12.941 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.972 16.661 -13.731 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.029 17.180 -12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.653 14.332 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.208 15.873 -10.534 1.00 0.00 H new ATOM 1460 N ASN A 89 7.290 11.785 -14.818 1.00 0.00 N ATOM 1461 CA ASN A 89 7.847 11.212 -16.079 1.00 0.00 C ATOM 1462 C ASN A 89 8.317 9.766 -15.865 1.00 0.00 C ATOM 1463 O ASN A 89 8.258 8.952 -16.765 1.00 0.00 O ATOM 1464 CB ASN A 89 9.031 12.065 -16.538 1.00 0.00 C ATOM 1465 CG ASN A 89 8.588 13.525 -16.658 1.00 0.00 C ATOM 1466 OD1 ASN A 89 7.689 13.959 -15.966 1.00 0.00 O ATOM 1467 ND2 ASN A 89 9.189 14.307 -17.512 1.00 0.00 N ATOM 0 H ASN A 89 7.863 12.509 -14.383 1.00 0.00 H new ATOM 0 HA ASN A 89 7.064 11.212 -16.837 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.852 11.980 -15.827 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.402 11.706 -17.498 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.904 15.283 -17.598 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.944 13.943 -18.093 1.00 0.00 H new ATOM 1474 N LEU A 90 8.794 9.439 -14.697 1.00 0.00 N ATOM 1475 CA LEU A 90 9.274 8.051 -14.454 1.00 0.00 C ATOM 1476 C LEU A 90 8.186 7.041 -14.826 1.00 0.00 C ATOM 1477 O LEU A 90 8.473 5.927 -15.212 1.00 0.00 O ATOM 1478 CB LEU A 90 9.641 7.886 -12.983 1.00 0.00 C ATOM 1479 CG LEU A 90 11.145 8.094 -12.811 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.540 7.803 -11.364 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.895 7.144 -13.740 1.00 0.00 C ATOM 0 H LEU A 90 8.872 10.072 -13.901 1.00 0.00 H new ATOM 0 HA LEU A 90 10.153 7.869 -15.073 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.091 8.605 -12.376 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.357 6.893 -12.635 1.00 0.00 H new ATOM 0 HG LEU A 90 11.399 9.125 -13.056 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.613 7.952 -11.243 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.003 8.478 -10.697 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.287 6.772 -11.118 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.969 7.290 -13.620 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.639 6.114 -13.492 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.614 7.349 -14.773 1.00 0.00 H new ATOM 1493 N TRP A 91 6.944 7.411 -14.703 1.00 0.00 N ATOM 1494 CA TRP A 91 5.851 6.469 -15.042 1.00 0.00 C ATOM 1495 C TRP A 91 5.806 6.250 -16.560 1.00 0.00 C ATOM 1496 O TRP A 91 5.513 5.168 -17.029 1.00 0.00 O ATOM 1497 CB TRP A 91 4.529 7.059 -14.545 1.00 0.00 C ATOM 1498 CG TRP A 91 4.555 7.139 -13.059 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.409 8.274 -12.355 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.730 6.069 -12.085 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.490 7.981 -11.006 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.685 6.632 -10.788 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.922 4.680 -12.199 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.825 5.847 -9.644 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 5.063 3.886 -11.048 1.00 0.00 C ATOM 1506 CH2 TRP A 91 5.015 4.468 -9.774 1.00 0.00 C ATOM 0 H TRP A 91 6.640 8.330 -14.381 1.00 0.00 H new ATOM 0 HA TRP A 91 6.022 5.505 -14.563 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.377 8.050 -14.972 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.695 6.439 -14.873 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.253 9.257 -12.775 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.415 8.676 -10.263 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.961 4.221 -13.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.787 6.301 -8.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 5.209 2.820 -11.146 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.125 3.852 -8.894 1.00 0.00 H new ATOM 1517 N GLY A 92 6.101 7.263 -17.336 1.00 0.00 N ATOM 1518 CA GLY A 92 6.080 7.101 -18.817 1.00 0.00 C ATOM 1519 C GLY A 92 7.261 6.232 -19.260 1.00 0.00 C ATOM 1520 O GLY A 92 7.108 5.287 -20.005 1.00 0.00 O ATOM 0 H GLY A 92 6.355 8.194 -17.005 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.142 6.642 -19.129 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.133 8.077 -19.300 1.00 0.00 H new ATOM 1524 N LEU A 93 8.440 6.566 -18.810 1.00 0.00 N ATOM 1525 CA LEU A 93 9.647 5.785 -19.204 1.00 0.00 C ATOM 1526 C LEU A 93 9.506 4.336 -18.712 1.00 0.00 C ATOM 1527 O LEU A 93 9.855 3.402 -19.407 1.00 0.00 O ATOM 1528 CB LEU A 93 10.885 6.461 -18.575 1.00 0.00 C ATOM 1529 CG LEU A 93 12.195 6.027 -19.264 1.00 0.00 C ATOM 1530 CD1 LEU A 93 13.351 6.205 -18.281 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.116 4.561 -19.688 1.00 0.00 C ATOM 0 H LEU A 93 8.620 7.350 -18.183 1.00 0.00 H new ATOM 0 HA LEU A 93 9.756 5.765 -20.288 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.781 7.544 -18.644 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.934 6.213 -17.515 1.00 0.00 H new ATOM 0 HG LEU A 93 12.353 6.640 -20.151 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.283 5.901 -18.757 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.419 7.252 -17.985 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.177 5.589 -17.399 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.049 4.272 -20.172 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.954 3.936 -18.809 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.289 4.428 -20.385 1.00 0.00 H new ATOM 1543 N ALA A 94 8.985 4.133 -17.532 1.00 0.00 N ATOM 1544 CA ALA A 94 8.820 2.742 -17.023 1.00 0.00 C ATOM 1545 C ALA A 94 7.741 2.032 -17.844 1.00 0.00 C ATOM 1546 O ALA A 94 8.020 1.121 -18.598 1.00 0.00 O ATOM 1547 CB ALA A 94 8.399 2.783 -15.553 1.00 0.00 C ATOM 0 H ALA A 94 8.667 4.868 -16.900 1.00 0.00 H new ATOM 0 HA ALA A 94 9.763 2.204 -17.113 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.278 1.766 -15.181 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.164 3.295 -14.969 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.454 3.318 -15.460 1.00 0.00 H new ATOM 1553 N GLY A 95 6.510 2.441 -17.707 1.00 0.00 N ATOM 1554 CA GLY A 95 5.419 1.790 -18.485 1.00 0.00 C ATOM 1555 C GLY A 95 4.367 1.226 -17.528 1.00 0.00 C ATOM 1556 O GLY A 95 3.188 1.225 -17.820 1.00 0.00 O ATOM 0 H GLY A 95 6.213 3.197 -17.090 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.960 2.512 -19.160 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.828 0.991 -19.103 1.00 0.00 H new ATOM 1560 N LEU A 96 4.781 0.744 -16.388 1.00 0.00 N ATOM 1561 CA LEU A 96 3.808 0.180 -15.421 1.00 0.00 C ATOM 1562 C LEU A 96 3.774 1.055 -14.166 1.00 0.00 C ATOM 1563 O LEU A 96 4.644 1.874 -13.941 1.00 0.00 O ATOM 1564 CB LEU A 96 4.247 -1.227 -15.034 1.00 0.00 C ATOM 1565 CG LEU A 96 3.017 -2.090 -14.743 1.00 0.00 C ATOM 1566 CD1 LEU A 96 2.305 -2.423 -16.056 1.00 0.00 C ATOM 1567 CD2 LEU A 96 3.453 -3.386 -14.057 1.00 0.00 C ATOM 0 H LEU A 96 5.755 0.718 -16.087 1.00 0.00 H new ATOM 0 HA LEU A 96 2.817 0.149 -15.875 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.832 -1.670 -15.840 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.892 -1.188 -14.156 1.00 0.00 H new ATOM 0 HG LEU A 96 2.337 -1.544 -14.089 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.429 -3.038 -15.849 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.993 -1.500 -16.545 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.985 -2.969 -16.710 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.577 -4.001 -13.850 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.133 -3.932 -14.710 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.960 -3.150 -13.121 1.00 0.00 H new ATOM 1579 N ASN A 97 2.772 0.887 -13.348 1.00 0.00 N ATOM 1580 CA ASN A 97 2.671 1.702 -12.108 1.00 0.00 C ATOM 1581 C ASN A 97 1.962 0.886 -11.026 1.00 0.00 C ATOM 1582 O ASN A 97 0.992 1.322 -10.439 1.00 0.00 O ATOM 1583 CB ASN A 97 1.861 2.964 -12.402 1.00 0.00 C ATOM 1584 CG ASN A 97 1.959 3.923 -11.215 1.00 0.00 C ATOM 1585 OD1 ASN A 97 2.620 3.634 -10.237 1.00 0.00 O ATOM 1586 ND2 ASN A 97 1.323 5.062 -11.258 1.00 0.00 N ATOM 0 H ASN A 97 2.016 0.217 -13.487 1.00 0.00 H new ATOM 0 HA ASN A 97 3.668 1.977 -11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.235 3.447 -13.305 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.819 2.705 -12.588 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.381 5.709 -10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.768 5.306 -12.078 1.00 0.00 H new ATOM 1593 N SER A 98 2.433 -0.302 -10.762 1.00 0.00 N ATOM 1594 CA SER A 98 1.780 -1.149 -9.724 1.00 0.00 C ATOM 1595 C SER A 98 2.847 -1.756 -8.805 1.00 0.00 C ATOM 1596 O SER A 98 3.202 -2.911 -8.938 1.00 0.00 O ATOM 1597 CB SER A 98 1.006 -2.277 -10.410 1.00 0.00 C ATOM 1598 OG SER A 98 0.609 -3.235 -9.440 1.00 0.00 O ATOM 0 H SER A 98 3.242 -0.723 -11.220 1.00 0.00 H new ATOM 0 HA SER A 98 1.099 -0.537 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.130 -1.875 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.628 -2.749 -11.170 1.00 0.00 H new ATOM 0 HG SER A 98 1.391 -3.749 -9.149 1.00 0.00 H new ATOM 1604 N CYS A 99 3.356 -1.002 -7.864 1.00 0.00 N ATOM 1605 CA CYS A 99 4.382 -1.559 -6.943 1.00 0.00 C ATOM 1606 C CYS A 99 4.732 -0.527 -5.861 1.00 0.00 C ATOM 1607 O CYS A 99 5.883 -0.167 -5.709 1.00 0.00 O ATOM 1608 CB CYS A 99 5.644 -1.901 -7.739 1.00 0.00 C ATOM 1609 SG CYS A 99 6.373 -0.381 -8.399 1.00 0.00 S ATOM 0 H CYS A 99 3.104 -0.028 -7.697 1.00 0.00 H new ATOM 0 HA CYS A 99 3.987 -2.457 -6.469 1.00 0.00 H new ATOM 0 HB2 CYS A 99 6.362 -2.413 -7.099 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.399 -2.583 -8.553 1.00 0.00 H new ATOM 1614 N PRO A 100 3.732 -0.073 -5.138 1.00 0.00 N ATOM 1615 CA PRO A 100 3.896 0.932 -4.053 1.00 0.00 C ATOM 1616 C PRO A 100 4.083 0.233 -2.703 1.00 0.00 C ATOM 1617 O PRO A 100 3.500 0.619 -1.710 1.00 0.00 O ATOM 1618 CB PRO A 100 2.565 1.674 -4.096 1.00 0.00 C ATOM 1619 CG PRO A 100 1.538 0.722 -4.719 1.00 0.00 C ATOM 1620 CD PRO A 100 2.301 -0.480 -5.291 1.00 0.00 C ATOM 0 HA PRO A 100 4.763 1.581 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.257 1.970 -3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.652 2.587 -4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.816 0.395 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.976 1.227 -5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.081 -1.396 -4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 100 2.043 -0.663 -6.334 1.00 0.00 H new ATOM 1628 N VAL A 101 4.886 -0.795 -2.659 1.00 0.00 N ATOM 1629 CA VAL A 101 5.100 -1.518 -1.375 1.00 0.00 C ATOM 1630 C VAL A 101 6.251 -2.512 -1.541 1.00 0.00 C ATOM 1631 O VAL A 101 6.988 -2.468 -2.506 1.00 0.00 O ATOM 1632 CB VAL A 101 3.821 -2.270 -0.994 1.00 0.00 C ATOM 1633 CG1 VAL A 101 2.918 -1.353 -0.166 1.00 0.00 C ATOM 1634 CG2 VAL A 101 3.081 -2.703 -2.263 1.00 0.00 C ATOM 0 H VAL A 101 5.403 -1.165 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 101 5.346 -0.805 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 101 4.081 -3.152 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.008 -1.887 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.442 -1.047 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.660 -0.471 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.172 -3.238 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.821 -1.823 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.723 -3.357 -2.853 1.00 0.00 H new ATOM 1644 N LYS A 102 6.414 -3.408 -0.607 1.00 0.00 N ATOM 1645 CA LYS A 102 7.520 -4.399 -0.709 1.00 0.00 C ATOM 1646 C LYS A 102 8.857 -3.667 -0.687 1.00 0.00 C ATOM 1647 O LYS A 102 9.575 -3.619 -1.667 1.00 0.00 O ATOM 1648 CB LYS A 102 7.385 -5.193 -2.012 1.00 0.00 C ATOM 1649 CG LYS A 102 6.085 -5.999 -1.987 1.00 0.00 C ATOM 1650 CD LYS A 102 4.962 -5.178 -2.624 1.00 0.00 C ATOM 1651 CE LYS A 102 3.823 -6.108 -3.043 1.00 0.00 C ATOM 1652 NZ LYS A 102 2.944 -6.379 -1.871 1.00 0.00 N ATOM 0 H LYS A 102 5.828 -3.496 0.223 1.00 0.00 H new ATOM 0 HA LYS A 102 7.470 -5.088 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.388 -4.515 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.237 -5.862 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.216 -6.937 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.824 -6.256 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.596 -4.433 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.340 -4.636 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.245 -5.652 -3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.227 -7.043 -3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.170 -7.012 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.500 -6.831 -1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.548 -5.484 -1.520 1.00 0.00 H new ATOM 1666 N GLU A 103 9.190 -3.101 0.433 1.00 0.00 N ATOM 1667 CA GLU A 103 10.480 -2.364 0.551 1.00 0.00 C ATOM 1668 C GLU A 103 10.643 -1.855 1.984 1.00 0.00 C ATOM 1669 O GLU A 103 10.130 -0.814 2.346 1.00 0.00 O ATOM 1670 CB GLU A 103 10.483 -1.177 -0.416 1.00 0.00 C ATOM 1671 CG GLU A 103 11.918 -0.867 -0.849 1.00 0.00 C ATOM 1672 CD GLU A 103 12.832 -0.840 0.378 1.00 0.00 C ATOM 1673 OE1 GLU A 103 12.953 0.214 0.980 1.00 0.00 O ATOM 1674 OE2 GLU A 103 13.394 -1.876 0.696 1.00 0.00 O ATOM 0 H GLU A 103 8.622 -3.115 1.280 1.00 0.00 H new ATOM 0 HA GLU A 103 11.305 -3.033 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.871 -1.405 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.041 -0.304 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.265 -1.620 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.954 0.094 -1.362 1.00 0.00 H new ATOM 1681 N ALA A 104 11.350 -2.582 2.804 1.00 0.00 N ATOM 1682 CA ALA A 104 11.542 -2.140 4.214 1.00 0.00 C ATOM 1683 C ALA A 104 12.981 -1.658 4.408 1.00 0.00 C ATOM 1684 O ALA A 104 13.257 -0.816 5.238 1.00 0.00 O ATOM 1685 CB ALA A 104 11.267 -3.314 5.158 1.00 0.00 C ATOM 0 H ALA A 104 11.803 -3.463 2.559 1.00 0.00 H new ATOM 0 HA ALA A 104 10.853 -1.325 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.407 -2.992 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.242 -3.658 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.956 -4.129 4.936 1.00 0.00 H new ATOM 1691 N ASN A 105 13.900 -2.185 3.647 1.00 0.00 N ATOM 1692 CA ASN A 105 15.320 -1.756 3.788 1.00 0.00 C ATOM 1693 C ASN A 105 15.385 -0.228 3.848 1.00 0.00 C ATOM 1694 O ASN A 105 14.399 0.454 3.646 1.00 0.00 O ATOM 1695 CB ASN A 105 16.126 -2.254 2.586 1.00 0.00 C ATOM 1696 CG ASN A 105 15.921 -3.761 2.424 1.00 0.00 C ATOM 1697 OD1 ASN A 105 16.440 -4.543 3.197 1.00 0.00 O ATOM 1698 ND2 ASN A 105 15.181 -4.206 1.445 1.00 0.00 N ATOM 0 H ASN A 105 13.729 -2.894 2.934 1.00 0.00 H new ATOM 0 HA ASN A 105 15.738 -2.175 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.810 -1.734 1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.184 -2.033 2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.038 -5.209 1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.745 -3.550 0.796 1.00 0.00 H new ATOM 1705 N GLN A 106 16.538 0.316 4.125 1.00 0.00 N ATOM 1706 CA GLN A 106 16.664 1.799 4.196 1.00 0.00 C ATOM 1707 C GLN A 106 18.059 2.215 3.726 1.00 0.00 C ATOM 1708 O GLN A 106 18.982 1.425 3.715 1.00 0.00 O ATOM 1709 CB GLN A 106 16.448 2.263 5.638 1.00 0.00 C ATOM 1710 CG GLN A 106 17.315 1.424 6.582 1.00 0.00 C ATOM 1711 CD GLN A 106 18.633 2.153 6.846 1.00 0.00 C ATOM 1712 OE1 GLN A 106 19.662 1.782 6.319 1.00 0.00 O ATOM 1713 NE2 GLN A 106 18.645 3.182 7.648 1.00 0.00 N ATOM 0 H GLN A 106 17.398 -0.202 4.305 1.00 0.00 H new ATOM 0 HA GLN A 106 15.913 2.259 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.704 3.318 5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.397 2.164 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 106 16.788 1.252 7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.510 0.446 6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 106 17.781 3.494 8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 106 19.519 3.675 7.832 1.00 0.00 H new ATOM 1722 N SER A 107 18.220 3.450 3.336 1.00 0.00 N ATOM 1723 CA SER A 107 19.554 3.915 2.866 1.00 0.00 C ATOM 1724 C SER A 107 19.517 5.432 2.661 1.00 0.00 C ATOM 1725 O SER A 107 18.544 6.085 2.981 1.00 0.00 O ATOM 1726 CB SER A 107 19.892 3.225 1.542 1.00 0.00 C ATOM 1727 OG SER A 107 21.284 2.942 1.497 1.00 0.00 O ATOM 0 H SER A 107 17.485 4.157 3.323 1.00 0.00 H new ATOM 0 HA SER A 107 20.313 3.668 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 107 19.319 2.303 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 107 19.613 3.865 0.705 1.00 0.00 H new ATOM 0 HG SER A 107 21.500 2.499 0.650 1.00 0.00 H new ATOM 1733 N THR A 108 20.566 5.998 2.126 1.00 0.00 N ATOM 1734 CA THR A 108 20.581 7.470 1.900 1.00 0.00 C ATOM 1735 C THR A 108 20.263 7.741 0.426 1.00 0.00 C ATOM 1736 O THR A 108 20.625 6.967 -0.436 1.00 0.00 O ATOM 1737 CB THR A 108 21.971 8.014 2.232 1.00 0.00 C ATOM 1738 OG1 THR A 108 21.922 9.431 2.276 1.00 0.00 O ATOM 1739 CG2 THR A 108 22.969 7.569 1.162 1.00 0.00 C ATOM 0 H THR A 108 21.411 5.505 1.837 1.00 0.00 H new ATOM 0 HA THR A 108 19.841 7.958 2.535 1.00 0.00 H new ATOM 0 HB THR A 108 22.289 7.629 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.512 9.718 3.119 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.958 7.959 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 108 23.006 6.480 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.655 7.951 0.190 1.00 0.00 H new ATOM 1747 N LEU A 109 19.587 8.816 0.112 1.00 0.00 N ATOM 1748 CA LEU A 109 19.277 9.074 -1.322 1.00 0.00 C ATOM 1749 C LEU A 109 20.564 9.112 -2.130 1.00 0.00 C ATOM 1750 O LEU A 109 20.563 8.782 -3.289 1.00 0.00 O ATOM 1751 CB LEU A 109 18.522 10.384 -1.516 1.00 0.00 C ATOM 1752 CG LEU A 109 17.580 10.214 -2.720 1.00 0.00 C ATOM 1753 CD1 LEU A 109 16.184 10.634 -2.309 1.00 0.00 C ATOM 1754 CD2 LEU A 109 18.016 11.060 -3.911 1.00 0.00 C ATOM 0 H LEU A 109 19.243 9.513 0.773 1.00 0.00 H new ATOM 0 HA LEU A 109 18.638 8.262 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.954 10.633 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.219 11.204 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 109 17.606 9.167 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.506 10.518 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.844 10.009 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 109 16.196 11.677 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 109 17.322 10.909 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 109 18.019 12.113 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 109 19.019 10.764 -4.220 1.00 0.00 H new ATOM 1766 N GLU A 110 21.665 9.501 -1.550 1.00 0.00 N ATOM 1767 CA GLU A 110 22.919 9.522 -2.351 1.00 0.00 C ATOM 1768 C GLU A 110 23.032 8.174 -3.064 1.00 0.00 C ATOM 1769 O GLU A 110 23.384 8.095 -4.224 1.00 0.00 O ATOM 1770 CB GLU A 110 24.120 9.721 -1.424 1.00 0.00 C ATOM 1771 CG GLU A 110 23.953 11.028 -0.644 1.00 0.00 C ATOM 1772 CD GLU A 110 25.090 11.168 0.368 1.00 0.00 C ATOM 1773 OE1 GLU A 110 25.028 10.509 1.392 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.001 11.934 0.104 1.00 0.00 O ATOM 0 H GLU A 110 21.751 9.799 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 110 22.902 10.338 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 110 24.203 8.881 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 110 25.041 9.748 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 110 23.956 11.876 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 110 22.992 11.037 -0.130 1.00 0.00 H new ATOM 1781 N ASN A 111 22.703 7.114 -2.377 1.00 0.00 N ATOM 1782 CA ASN A 111 22.749 5.763 -3.005 1.00 0.00 C ATOM 1783 C ASN A 111 21.611 5.639 -4.024 1.00 0.00 C ATOM 1784 O ASN A 111 21.823 5.237 -5.131 1.00 0.00 O ATOM 1785 CB ASN A 111 22.593 4.673 -1.932 1.00 0.00 C ATOM 1786 CG ASN A 111 23.421 3.450 -2.329 1.00 0.00 C ATOM 1787 OD1 ASN A 111 24.034 2.819 -1.492 1.00 0.00 O ATOM 1788 ND2 ASN A 111 23.465 3.085 -3.581 1.00 0.00 N ATOM 0 H ASN A 111 22.403 7.126 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 111 23.710 5.635 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.922 5.050 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.544 4.397 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 111 24.014 2.270 -3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 111 22.950 3.614 -4.285 1.00 0.00 H new ATOM 1795 N PHE A 112 20.405 5.981 -3.662 1.00 0.00 N ATOM 1796 CA PHE A 112 19.269 5.870 -4.640 1.00 0.00 C ATOM 1797 C PHE A 112 19.667 6.530 -5.954 1.00 0.00 C ATOM 1798 O PHE A 112 19.317 6.074 -7.016 1.00 0.00 O ATOM 1799 CB PHE A 112 18.037 6.605 -4.082 1.00 0.00 C ATOM 1800 CG PHE A 112 16.846 6.376 -4.983 1.00 0.00 C ATOM 1801 CD1 PHE A 112 16.247 5.112 -5.052 1.00 0.00 C ATOM 1802 CD2 PHE A 112 16.337 7.434 -5.748 1.00 0.00 C ATOM 1803 CE1 PHE A 112 15.142 4.906 -5.887 1.00 0.00 C ATOM 1804 CE2 PHE A 112 15.231 7.227 -6.581 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.634 5.964 -6.651 1.00 0.00 C ATOM 0 H PHE A 112 20.151 6.331 -2.738 1.00 0.00 H new ATOM 0 HA PHE A 112 19.037 4.817 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.816 6.249 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.244 7.672 -4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.637 4.296 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.798 8.409 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.681 3.931 -5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.839 8.043 -7.170 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.781 5.805 -7.294 1.00 0.00 H new ATOM 1815 N LEU A 113 20.386 7.601 -5.895 1.00 0.00 N ATOM 1816 CA LEU A 113 20.804 8.272 -7.142 1.00 0.00 C ATOM 1817 C LEU A 113 21.875 7.407 -7.835 1.00 0.00 C ATOM 1818 O LEU A 113 21.924 7.320 -9.044 1.00 0.00 O ATOM 1819 CB LEU A 113 21.337 9.676 -6.812 1.00 0.00 C ATOM 1820 CG LEU A 113 20.610 10.707 -7.672 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.083 11.828 -6.773 1.00 0.00 C ATOM 1822 CD2 LEU A 113 21.575 11.289 -8.704 1.00 0.00 C ATOM 0 H LEU A 113 20.705 8.044 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 113 19.959 8.386 -7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.186 9.896 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 113 22.410 9.723 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 113 19.778 10.230 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.563 12.568 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 113 19.393 11.412 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.917 12.304 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 113 21.053 12.024 -9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 113 22.409 11.769 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 113 21.952 10.489 -9.341 1.00 0.00 H new ATOM 1834 N GLU A 114 22.727 6.752 -7.073 1.00 0.00 N ATOM 1835 CA GLU A 114 23.778 5.879 -7.674 1.00 0.00 C ATOM 1836 C GLU A 114 23.127 4.622 -8.268 1.00 0.00 C ATOM 1837 O GLU A 114 23.360 4.257 -9.400 1.00 0.00 O ATOM 1838 CB GLU A 114 24.746 5.468 -6.569 1.00 0.00 C ATOM 1839 CG GLU A 114 26.186 5.649 -7.040 1.00 0.00 C ATOM 1840 CD GLU A 114 26.350 5.058 -8.441 1.00 0.00 C ATOM 1841 OE1 GLU A 114 26.119 5.781 -9.397 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.702 3.894 -8.536 1.00 0.00 O ATOM 0 H GLU A 114 22.734 6.789 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 114 24.304 6.416 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.569 6.069 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.574 4.428 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.445 6.708 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.870 5.160 -6.346 1.00 0.00 H new ATOM 1849 N ARG A 115 22.315 3.965 -7.485 1.00 0.00 N ATOM 1850 CA ARG A 115 21.618 2.729 -7.929 1.00 0.00 C ATOM 1851 C ARG A 115 20.682 3.058 -9.086 1.00 0.00 C ATOM 1852 O ARG A 115 20.701 2.428 -10.126 1.00 0.00 O ATOM 1853 CB ARG A 115 20.782 2.213 -6.750 1.00 0.00 C ATOM 1854 CG ARG A 115 21.005 0.709 -6.580 1.00 0.00 C ATOM 1855 CD ARG A 115 20.735 -0.001 -7.908 1.00 0.00 C ATOM 1856 NE ARG A 115 20.678 -1.474 -7.681 1.00 0.00 N ATOM 1857 CZ ARG A 115 21.762 -2.192 -7.795 1.00 0.00 C ATOM 1858 NH1 ARG A 115 22.345 -2.317 -8.955 1.00 0.00 N ATOM 1859 NH2 ARG A 115 22.262 -2.788 -6.746 1.00 0.00 N ATOM 0 H ARG A 115 22.101 4.245 -6.528 1.00 0.00 H new ATOM 0 HA ARG A 115 22.343 1.982 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 115 21.061 2.738 -5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.725 2.417 -6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 115 22.027 0.517 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.345 0.318 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 115 19.795 0.349 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 115 21.520 0.237 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 115 19.793 -1.919 -7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 115 21.954 -1.853 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 115 23.192 -2.878 -9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 115 21.805 -2.692 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 115 23.109 -3.349 -6.834 1.00 0.00 H new ATOM 1873 N LEU A 116 19.867 4.051 -8.903 1.00 0.00 N ATOM 1874 CA LEU A 116 18.914 4.456 -9.969 1.00 0.00 C ATOM 1875 C LEU A 116 19.701 4.790 -11.251 1.00 0.00 C ATOM 1876 O LEU A 116 19.313 4.405 -12.336 1.00 0.00 O ATOM 1877 CB LEU A 116 18.149 5.698 -9.505 1.00 0.00 C ATOM 1878 CG LEU A 116 17.112 6.081 -10.562 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.712 6.024 -9.948 1.00 0.00 C ATOM 1880 CD2 LEU A 116 17.394 7.498 -11.060 1.00 0.00 C ATOM 0 H LEU A 116 19.818 4.608 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 116 18.214 3.645 -10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.657 5.501 -8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.841 6.525 -9.342 1.00 0.00 H new ATOM 0 HG LEU A 116 17.169 5.384 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.973 6.297 -10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.512 5.013 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.653 6.721 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.656 7.773 -11.813 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.336 8.196 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.391 7.538 -11.498 1.00 0.00 H new ATOM 1892 N LYS A 117 20.803 5.513 -11.145 1.00 0.00 N ATOM 1893 CA LYS A 117 21.579 5.861 -12.372 1.00 0.00 C ATOM 1894 C LYS A 117 22.261 4.613 -12.948 1.00 0.00 C ATOM 1895 O LYS A 117 22.490 4.517 -14.137 1.00 0.00 O ATOM 1896 CB LYS A 117 22.647 6.900 -12.019 1.00 0.00 C ATOM 1897 CG LYS A 117 21.971 8.232 -11.685 1.00 0.00 C ATOM 1898 CD LYS A 117 23.029 9.244 -11.241 1.00 0.00 C ATOM 1899 CE LYS A 117 24.018 9.484 -12.385 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.393 9.122 -11.937 1.00 0.00 N ATOM 0 H LYS A 117 21.187 5.869 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 117 20.894 6.266 -13.117 1.00 0.00 H new ATOM 0 HB2 LYS A 117 23.237 6.556 -11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.335 7.028 -12.854 1.00 0.00 H new ATOM 0 HG2 LYS A 117 21.435 8.609 -12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.234 8.090 -10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 117 22.553 10.182 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 117 23.556 8.873 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 117 23.738 8.887 -13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 117 23.988 10.529 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 26.065 9.285 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 25.658 9.709 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 25.416 8.119 -11.664 1.00 0.00 H new ATOM 1914 N THR A 118 22.602 3.664 -12.119 1.00 0.00 N ATOM 1915 CA THR A 118 23.284 2.440 -12.630 1.00 0.00 C ATOM 1916 C THR A 118 22.321 1.622 -13.490 1.00 0.00 C ATOM 1917 O THR A 118 22.642 1.234 -14.595 1.00 0.00 O ATOM 1918 CB THR A 118 23.757 1.591 -11.448 1.00 0.00 C ATOM 1919 OG1 THR A 118 24.352 2.433 -10.469 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.782 0.565 -11.931 1.00 0.00 C ATOM 0 H THR A 118 22.438 3.683 -11.112 1.00 0.00 H new ATOM 0 HA THR A 118 24.139 2.736 -13.237 1.00 0.00 H new ATOM 0 HB THR A 118 22.905 1.071 -11.011 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.654 2.812 -9.896 1.00 0.00 H new ATOM 0 HG21 THR A 118 25.118 -0.039 -11.088 1.00 0.00 H new ATOM 0 HG22 THR A 118 24.325 -0.081 -12.681 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.635 1.082 -12.370 1.00 0.00 H new ATOM 1928 N ILE A 119 21.146 1.346 -12.994 1.00 0.00 N ATOM 1929 CA ILE A 119 20.181 0.547 -13.794 1.00 0.00 C ATOM 1930 C ILE A 119 19.874 1.267 -15.107 1.00 0.00 C ATOM 1931 O ILE A 119 19.946 0.689 -16.168 1.00 0.00 O ATOM 1932 CB ILE A 119 18.907 0.347 -12.997 1.00 0.00 C ATOM 1933 CG1 ILE A 119 19.170 -0.667 -11.886 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.793 -0.167 -13.911 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.920 -0.015 -10.529 1.00 0.00 C ATOM 0 H ILE A 119 20.816 1.638 -12.074 1.00 0.00 H new ATOM 0 HA ILE A 119 20.616 -0.426 -14.022 1.00 0.00 H new ATOM 0 HB ILE A 119 18.596 1.298 -12.564 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.521 -1.534 -12.010 1.00 0.00 H new ATOM 0 HG13 ILE A 119 20.197 -1.027 -11.944 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.882 -0.308 -13.330 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.609 0.558 -14.704 1.00 0.00 H new ATOM 0 HG23 ILE A 119 18.093 -1.118 -14.351 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.108 -0.740 -9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.588 0.838 -10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.885 0.323 -10.473 1.00 0.00 H new ATOM 1947 N MET A 120 19.529 2.524 -15.042 1.00 0.00 N ATOM 1948 CA MET A 120 19.215 3.285 -16.282 1.00 0.00 C ATOM 1949 C MET A 120 20.330 3.129 -17.297 1.00 0.00 C ATOM 1950 O MET A 120 20.101 2.774 -18.426 1.00 0.00 O ATOM 1951 CB MET A 120 19.106 4.756 -15.909 1.00 0.00 C ATOM 1952 CG MET A 120 17.659 5.075 -15.554 1.00 0.00 C ATOM 1953 SD MET A 120 17.600 6.132 -14.089 1.00 0.00 S ATOM 1954 CE MET A 120 15.796 6.189 -13.947 1.00 0.00 C ATOM 0 H MET A 120 19.451 3.059 -14.177 1.00 0.00 H new ATOM 0 HA MET A 120 18.287 2.911 -16.715 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.758 4.979 -15.065 1.00 0.00 H new ATOM 0 HB3 MET A 120 19.436 5.380 -16.740 1.00 0.00 H new ATOM 0 HG2 MET A 120 17.172 5.574 -16.392 1.00 0.00 H new ATOM 0 HG3 MET A 120 17.109 4.152 -15.369 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.484 7.196 -13.670 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.347 5.920 -14.903 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.469 5.485 -13.182 1.00 0.00 H new ATOM 1964 N ARG A 121 21.530 3.384 -16.913 1.00 0.00 N ATOM 1965 CA ARG A 121 22.647 3.236 -17.881 1.00 0.00 C ATOM 1966 C ARG A 121 22.614 1.826 -18.457 1.00 0.00 C ATOM 1967 O ARG A 121 22.981 1.596 -19.589 1.00 0.00 O ATOM 1968 CB ARG A 121 23.967 3.442 -17.154 1.00 0.00 C ATOM 1969 CG ARG A 121 24.727 4.613 -17.784 1.00 0.00 C ATOM 1970 CD ARG A 121 24.933 5.712 -16.740 1.00 0.00 C ATOM 1971 NE ARG A 121 26.328 6.228 -16.832 1.00 0.00 N ATOM 1972 CZ ARG A 121 26.684 7.278 -16.145 1.00 0.00 C ATOM 1973 NH1 ARG A 121 25.783 7.999 -15.536 1.00 0.00 N ATOM 1974 NH2 ARG A 121 27.944 7.610 -16.066 1.00 0.00 N ATOM 0 H ARG A 121 21.796 3.688 -15.976 1.00 0.00 H new ATOM 0 HA ARG A 121 22.547 3.970 -18.680 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.784 3.641 -16.098 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.568 2.535 -17.208 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.690 4.272 -18.163 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.170 5.005 -18.635 1.00 0.00 H new ATOM 0 HD2 ARG A 121 24.222 6.522 -16.904 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.744 5.320 -15.741 1.00 0.00 H new ATOM 0 HE ARG A 121 27.006 5.759 -17.433 1.00 0.00 H new ATOM 0 HH11 ARG A 121 24.798 7.742 -15.597 1.00 0.00 H new ATOM 0 HH12 ARG A 121 26.064 8.820 -14.999 1.00 0.00 H new ATOM 0 HH21 ARG A 121 28.650 7.048 -16.542 1.00 0.00 H new ATOM 0 HH22 ARG A 121 28.222 8.431 -15.529 1.00 0.00 H new ATOM 1988 N GLU A 122 22.190 0.883 -17.672 1.00 0.00 N ATOM 1989 CA GLU A 122 22.136 -0.528 -18.160 1.00 0.00 C ATOM 1990 C GLU A 122 21.019 -0.689 -19.209 1.00 0.00 C ATOM 1991 O GLU A 122 21.216 -1.329 -20.223 1.00 0.00 O ATOM 1992 CB GLU A 122 21.885 -1.492 -16.981 1.00 0.00 C ATOM 1993 CG GLU A 122 23.044 -1.449 -15.971 1.00 0.00 C ATOM 1994 CD GLU A 122 22.532 -1.902 -14.602 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.587 -2.673 -14.571 1.00 0.00 O ATOM 1996 OE2 GLU A 122 23.094 -1.470 -13.609 1.00 0.00 O ATOM 0 H GLU A 122 21.877 1.022 -16.711 1.00 0.00 H new ATOM 0 HA GLU A 122 23.094 -0.770 -18.621 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.954 -1.225 -16.481 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.765 -2.508 -17.358 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.856 -2.097 -16.302 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.449 -0.439 -15.906 1.00 0.00 H new ATOM 2003 N LYS A 123 19.850 -0.129 -18.992 1.00 0.00 N ATOM 2004 CA LYS A 123 18.765 -0.284 -20.006 1.00 0.00 C ATOM 2005 C LYS A 123 19.104 0.546 -21.244 1.00 0.00 C ATOM 2006 O LYS A 123 19.057 0.078 -22.363 1.00 0.00 O ATOM 2007 CB LYS A 123 17.439 0.205 -19.414 1.00 0.00 C ATOM 2008 CG LYS A 123 16.292 -0.170 -20.354 1.00 0.00 C ATOM 2009 CD LYS A 123 15.205 0.904 -20.283 1.00 0.00 C ATOM 2010 CE LYS A 123 14.167 0.653 -21.378 1.00 0.00 C ATOM 2011 NZ LYS A 123 14.849 0.566 -22.700 1.00 0.00 N ATOM 0 H LYS A 123 19.606 0.420 -18.168 1.00 0.00 H new ATOM 0 HA LYS A 123 18.675 -1.334 -20.284 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.280 -0.242 -18.433 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.468 1.285 -19.272 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.660 -0.263 -21.376 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.880 -1.139 -20.074 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.727 0.888 -19.304 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.647 1.893 -20.406 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.625 -0.271 -21.175 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.432 1.458 -21.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.224 0.946 -23.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.730 1.119 -22.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.070 -0.428 -22.912 1.00 0.00 H new ATOM 2025 N TYR A 124 19.437 1.781 -21.027 1.00 0.00 N ATOM 2026 CA TYR A 124 19.782 2.703 -22.141 1.00 0.00 C ATOM 2027 C TYR A 124 21.051 2.217 -22.846 1.00 0.00 C ATOM 2028 O TYR A 124 21.245 2.445 -24.024 1.00 0.00 O ATOM 2029 CB TYR A 124 20.008 4.108 -21.560 1.00 0.00 C ATOM 2030 CG TYR A 124 20.082 5.119 -22.673 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.220 5.021 -23.772 1.00 0.00 C ATOM 2032 CD2 TYR A 124 21.025 6.150 -22.610 1.00 0.00 C ATOM 2033 CE1 TYR A 124 19.306 5.954 -24.813 1.00 0.00 C ATOM 2034 CE2 TYR A 124 21.109 7.086 -23.647 1.00 0.00 C ATOM 2035 CZ TYR A 124 20.252 6.987 -24.749 1.00 0.00 C ATOM 2036 OH TYR A 124 20.339 7.906 -25.776 1.00 0.00 O ATOM 0 H TYR A 124 19.486 2.203 -20.100 1.00 0.00 H new ATOM 0 HA TYR A 124 18.971 2.729 -22.868 1.00 0.00 H new ATOM 0 HB2 TYR A 124 19.197 4.364 -20.879 1.00 0.00 H new ATOM 0 HB3 TYR A 124 20.930 4.126 -20.979 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.490 4.227 -23.817 1.00 0.00 H new ATOM 0 HD2 TYR A 124 21.688 6.224 -21.761 1.00 0.00 H new ATOM 0 HE1 TYR A 124 18.645 5.878 -25.664 1.00 0.00 H new ATOM 0 HE2 TYR A 124 21.835 7.884 -23.597 1.00 0.00 H new ATOM 0 HH TYR A 124 19.767 7.621 -26.519 1.00 0.00 H new ATOM 2046 N SER A 125 21.916 1.553 -22.135 1.00 0.00 N ATOM 2047 CA SER A 125 23.173 1.055 -22.761 1.00 0.00 C ATOM 2048 C SER A 125 22.843 -0.055 -23.755 1.00 0.00 C ATOM 2049 O SER A 125 22.825 0.152 -24.953 1.00 0.00 O ATOM 2050 CB SER A 125 24.100 0.506 -21.673 1.00 0.00 C ATOM 2051 OG SER A 125 25.145 -0.242 -22.277 1.00 0.00 O ATOM 0 H SER A 125 21.808 1.332 -21.145 1.00 0.00 H new ATOM 0 HA SER A 125 23.668 1.874 -23.283 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.516 1.325 -21.087 1.00 0.00 H new ATOM 0 HB3 SER A 125 23.537 -0.125 -20.985 1.00 0.00 H new ATOM 0 HG SER A 125 25.740 -0.593 -21.582 1.00 0.00 H new ATOM 2057 N LYS A 126 22.582 -1.231 -23.265 1.00 0.00 N ATOM 2058 CA LYS A 126 22.253 -2.363 -24.174 1.00 0.00 C ATOM 2059 C LYS A 126 20.917 -2.086 -24.870 1.00 0.00 C ATOM 2060 O LYS A 126 20.812 -2.156 -26.078 1.00 0.00 O ATOM 2061 CB LYS A 126 22.149 -3.657 -23.364 1.00 0.00 C ATOM 2062 CG LYS A 126 22.332 -4.858 -24.295 1.00 0.00 C ATOM 2063 CD LYS A 126 22.960 -6.017 -23.519 1.00 0.00 C ATOM 2064 CE LYS A 126 24.216 -6.497 -24.246 1.00 0.00 C ATOM 2065 NZ LYS A 126 25.384 -5.675 -23.820 1.00 0.00 N ATOM 0 H LYS A 126 22.582 -1.459 -22.271 1.00 0.00 H new ATOM 0 HA LYS A 126 23.038 -2.467 -24.923 1.00 0.00 H new ATOM 0 HB2 LYS A 126 22.908 -3.671 -22.582 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.180 -3.712 -22.869 1.00 0.00 H new ATOM 0 HG2 LYS A 126 21.370 -5.162 -24.707 1.00 0.00 H new ATOM 0 HG3 LYS A 126 22.967 -4.585 -25.138 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.212 -5.697 -22.508 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.246 -6.835 -23.426 1.00 0.00 H new ATOM 0 HE2 LYS A 126 24.398 -7.548 -24.024 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.077 -6.419 -25.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 26.238 -6.002 -24.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.210 -4.677 -24.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.521 -5.772 -22.794 1.00 0.00 H new