USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 22 CYS SG : rot 179:sc= 0.573 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.927 K(o=1.5,f=-1.4) USER MOD Set 2.1: A 1 MET N :NH3+ -111:sc= -0.688 (180deg=0) USER MOD Set 2.2: A 33 ASN :FLIP amide:sc= -0.682 F(o=-2.5,f=-1.4) USER MOD Set 3.1: A 10 MET CE :methyl 168:sc= -1.08 (180deg=-1.78) USER MOD Set 3.2: A 24 TYR OH : rot 19:sc= 1.24 USER MOD Set 4.1: A 3 ASN : amide:sc= 1.01 K(o=2.3,f=-6.3!) USER MOD Set 4.2: A 5 LYS NZ :NH3+ 158:sc= 1.26 (180deg=0) USER MOD Single : A 1 MET CE :methyl -110:sc= -0.0656 (180deg=-5.43!) USER MOD Single : A 4 MET CE :methyl -153:sc= -0.276 (180deg=-0.998) USER MOD Single : A 9 SER OG : rot 40:sc= -0.209 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 36:sc= -0.412 USER MOD Single : A 17 ASN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 18 SER OG : rot 135:sc= 1.13 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 1.08 (180deg=0.689) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 13:sc= 0.61 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.18) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 61:sc= 0.35 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -160:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0.842 (180deg=0.806) USER MOD Single : A 63 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.45) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00416 USER MOD Single : A 68 ASN : amide:sc= 0.596 K(o=0.6,f=-0.85) USER MOD Single : A 69 TYR OH : rot 38:sc= 1.1 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 170:sc= 0.00279 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc=-0.00458 K(o=-0.0046,f=-0.72) USER MOD Single : A 88 LYS NZ :NH3+ 150:sc= -1.39 (180deg=-1.88) USER MOD Single : A 89 ASN : amide:sc= 1.59 K(o=1.6,f=-7.1!) USER MOD Single : A 91 SER OG : rot -82:sc= 1.07 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -133:sc= -0.67 (180deg=-2.62!) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.150 -0.814 6.696 1.00 0.00 N ATOM 26 CA MET A 1 14.830 -1.420 6.794 1.00 0.00 C ATOM 27 C MET A 1 14.838 -2.828 6.247 1.00 0.00 C ATOM 28 O MET A 1 15.141 -3.059 5.074 1.00 0.00 O ATOM 29 CB MET A 1 13.715 -0.617 6.107 1.00 0.00 C ATOM 30 CG MET A 1 12.346 -1.177 6.528 1.00 0.00 C ATOM 31 SD MET A 1 12.031 -1.342 8.305 1.00 0.00 S ATOM 32 CE MET A 1 10.631 -2.494 8.249 1.00 0.00 C ATOM 0 H1 MET A 1 16.550 -0.697 7.649 1.00 0.00 H new ATOM 0 H2 MET A 1 16.773 -1.428 6.133 1.00 0.00 H new ATOM 0 H3 MET A 1 16.072 0.116 6.236 1.00 0.00 H new ATOM 0 HA MET A 1 14.603 -1.428 7.860 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.789 0.436 6.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.826 -0.674 5.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.574 -0.534 6.106 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.228 -2.159 6.071 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.721 -1.975 8.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.514 -2.875 7.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.816 -3.325 8.929 1.00 0.00 H new ATOM 42 N ILE A 2 14.349 -3.748 7.066 1.00 0.00 N ATOM 43 CA ILE A 2 14.304 -5.175 6.802 1.00 0.00 C ATOM 44 C ILE A 2 12.848 -5.633 6.847 1.00 0.00 C ATOM 45 O ILE A 2 12.058 -5.110 7.628 1.00 0.00 O ATOM 46 CB ILE A 2 15.142 -5.904 7.866 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.561 -5.309 7.991 1.00 0.00 C ATOM 48 CG2 ILE A 2 15.198 -7.396 7.539 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.409 -6.026 9.038 1.00 0.00 C ATOM 0 H ILE A 2 13.955 -3.506 7.975 1.00 0.00 H new ATOM 0 HA ILE A 2 14.715 -5.403 5.819 1.00 0.00 H new ATOM 0 HB ILE A 2 14.660 -5.767 8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 2 17.061 -5.365 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.486 -4.253 8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.792 -7.912 8.293 1.00 0.00 H new ATOM 0 HG22 ILE A 2 14.188 -7.805 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.654 -7.537 6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.396 -5.566 9.084 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.927 -5.948 10.012 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.510 -7.077 8.767 1.00 0.00 H new ATOM 61 N ASN A 3 12.508 -6.624 6.022 1.00 0.00 N ATOM 62 CA ASN A 3 11.230 -7.323 5.990 1.00 0.00 C ATOM 63 C ASN A 3 9.987 -6.412 6.008 1.00 0.00 C ATOM 64 O ASN A 3 8.941 -6.790 6.553 1.00 0.00 O ATOM 65 CB ASN A 3 11.209 -8.444 7.058 1.00 0.00 C ATOM 66 CG ASN A 3 11.242 -9.807 6.392 1.00 0.00 C ATOM 67 OD1 ASN A 3 10.335 -10.140 5.633 1.00 0.00 O ATOM 68 ND2 ASN A 3 12.254 -10.609 6.663 1.00 0.00 N ATOM 0 H ASN A 3 13.157 -6.978 5.319 1.00 0.00 H new ATOM 0 HA ASN A 3 11.153 -7.793 5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.065 -8.337 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.313 -8.354 7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.299 -11.535 6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.992 -10.303 7.298 1.00 0.00 H new ATOM 75 N MET A 4 10.051 -5.218 5.409 1.00 0.00 N ATOM 76 CA MET A 4 8.874 -4.357 5.272 1.00 0.00 C ATOM 77 C MET A 4 7.844 -5.113 4.448 1.00 0.00 C ATOM 78 O MET A 4 8.206 -5.859 3.535 1.00 0.00 O ATOM 79 CB MET A 4 9.200 -3.059 4.520 1.00 0.00 C ATOM 80 CG MET A 4 8.168 -1.939 4.674 1.00 0.00 C ATOM 81 SD MET A 4 8.462 -0.834 6.065 1.00 0.00 S ATOM 82 CE MET A 4 9.269 0.547 5.197 1.00 0.00 C ATOM 0 H MET A 4 10.905 -4.827 5.012 1.00 0.00 H new ATOM 0 HA MET A 4 8.514 -4.102 6.269 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.166 -2.691 4.865 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.307 -3.289 3.460 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.151 -1.350 3.757 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.180 -2.386 4.785 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.928 1.075 5.886 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.852 0.160 4.361 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.510 1.234 4.823 1.00 0.00 H new ATOM 92 N LYS A 5 6.562 -4.842 4.669 1.00 0.00 N ATOM 93 CA LYS A 5 5.559 -5.097 3.649 1.00 0.00 C ATOM 94 C LYS A 5 4.615 -3.909 3.607 1.00 0.00 C ATOM 95 O LYS A 5 4.423 -3.241 4.610 1.00 0.00 O ATOM 96 CB LYS A 5 4.830 -6.411 3.943 1.00 0.00 C ATOM 97 CG LYS A 5 5.417 -7.680 3.295 1.00 0.00 C ATOM 98 CD LYS A 5 5.777 -8.789 4.299 1.00 0.00 C ATOM 99 CE LYS A 5 7.236 -8.690 4.730 1.00 0.00 C ATOM 100 NZ LYS A 5 7.584 -9.670 5.782 1.00 0.00 N ATOM 0 H LYS A 5 6.198 -4.450 5.537 1.00 0.00 H new ATOM 0 HA LYS A 5 6.021 -5.210 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.811 -6.557 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.795 -6.308 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.698 -8.074 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.311 -7.408 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.131 -8.715 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.593 -9.765 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.879 -8.848 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.436 -7.683 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.612 -9.830 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.292 -9.302 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.093 -10.568 5.596 1.00 0.00 H new ATOM 114 N VAL A 6 3.964 -3.672 2.486 1.00 0.00 N ATOM 115 CA VAL A 6 3.034 -2.584 2.197 1.00 0.00 C ATOM 116 C VAL A 6 2.003 -3.191 1.233 1.00 0.00 C ATOM 117 O VAL A 6 2.303 -4.227 0.646 1.00 0.00 O ATOM 118 CB VAL A 6 3.859 -1.468 1.547 1.00 0.00 C ATOM 119 CG1 VAL A 6 4.283 -1.907 0.219 1.00 0.00 C ATOM 120 CG2 VAL A 6 3.312 -0.105 1.180 1.00 0.00 C ATOM 0 H VAL A 6 4.078 -4.286 1.680 1.00 0.00 H new ATOM 0 HA VAL A 6 2.522 -2.166 3.064 1.00 0.00 H new ATOM 0 HB VAL A 6 4.553 -1.322 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.871 -1.120 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.889 -2.808 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.405 -2.120 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.104 0.497 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.498 -0.220 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.940 0.391 2.076 1.00 0.00 H new ATOM 130 N ALA A 7 0.861 -2.558 0.992 1.00 0.00 N ATOM 131 CA ALA A 7 0.093 -2.710 -0.249 1.00 0.00 C ATOM 132 C ALA A 7 0.051 -1.410 -1.048 1.00 0.00 C ATOM 133 O ALA A 7 -0.271 -0.373 -0.491 1.00 0.00 O ATOM 134 CB ALA A 7 -1.329 -3.168 0.066 1.00 0.00 C ATOM 0 H ALA A 7 0.433 -1.915 1.658 1.00 0.00 H new ATOM 0 HA ALA A 7 0.594 -3.463 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.890 -3.278 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.296 -4.126 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.818 -2.428 0.700 1.00 0.00 H new ATOM 140 N ILE A 8 0.292 -1.442 -2.359 1.00 0.00 N ATOM 141 CA ILE A 8 0.109 -0.293 -3.259 1.00 0.00 C ATOM 142 C ILE A 8 -1.161 -0.549 -4.074 1.00 0.00 C ATOM 143 O ILE A 8 -1.181 -1.538 -4.808 1.00 0.00 O ATOM 144 CB ILE A 8 1.321 -0.125 -4.215 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.691 -0.192 -3.507 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.191 1.185 -5.019 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.871 -0.287 -4.486 1.00 0.00 C ATOM 0 H ILE A 8 0.625 -2.279 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 8 0.027 0.623 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 8 1.293 -0.979 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.815 0.693 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.708 -1.056 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.048 1.290 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.274 1.161 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.159 2.031 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.805 -0.331 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.769 -1.187 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.877 0.589 -5.134 1.00 0.00 H new ATOM 159 N SER A 9 -2.189 0.301 -3.989 1.00 0.00 N ATOM 160 CA SER A 9 -3.346 0.223 -4.875 1.00 0.00 C ATOM 161 C SER A 9 -2.879 0.457 -6.315 1.00 0.00 C ATOM 162 O SER A 9 -2.417 1.557 -6.632 1.00 0.00 O ATOM 163 CB SER A 9 -4.404 1.257 -4.460 1.00 0.00 C ATOM 164 OG SER A 9 -3.864 2.545 -4.224 1.00 0.00 O ATOM 0 H SER A 9 -2.239 1.057 -3.307 1.00 0.00 H new ATOM 0 HA SER A 9 -3.805 -0.763 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.162 1.325 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.907 0.910 -3.557 1.00 0.00 H new ATOM 0 HG SER A 9 -3.183 2.743 -4.900 1.00 0.00 H new ATOM 170 N MET A 10 -2.980 -0.549 -7.181 1.00 0.00 N ATOM 171 CA MET A 10 -2.583 -0.467 -8.576 1.00 0.00 C ATOM 172 C MET A 10 -3.777 -0.691 -9.495 1.00 0.00 C ATOM 173 O MET A 10 -4.765 -1.326 -9.121 1.00 0.00 O ATOM 174 CB MET A 10 -1.489 -1.495 -8.879 1.00 0.00 C ATOM 175 CG MET A 10 -0.178 -1.238 -8.122 1.00 0.00 C ATOM 176 SD MET A 10 1.373 -1.709 -8.946 1.00 0.00 S ATOM 177 CE MET A 10 1.254 -0.822 -10.519 1.00 0.00 C ATOM 0 H MET A 10 -3.350 -1.464 -6.921 1.00 0.00 H new ATOM 0 HA MET A 10 -2.191 0.534 -8.758 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.856 -2.490 -8.626 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.287 -1.493 -9.950 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.126 -0.174 -7.890 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.229 -1.769 -7.171 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.219 -0.848 -11.025 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.501 -1.297 -11.148 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.970 0.214 -10.332 1.00 0.00 H new ATOM 187 N ASP A 11 -3.648 -0.166 -10.712 1.00 0.00 N ATOM 188 CA ASP A 11 -4.588 -0.250 -11.826 1.00 0.00 C ATOM 189 C ASP A 11 -4.113 -1.344 -12.769 1.00 0.00 C ATOM 190 O ASP A 11 -4.692 -2.421 -12.823 1.00 0.00 O ATOM 191 CB ASP A 11 -4.585 1.123 -12.514 1.00 0.00 C ATOM 192 CG ASP A 11 -5.679 1.287 -13.563 1.00 0.00 C ATOM 193 OD1 ASP A 11 -6.871 1.234 -13.195 1.00 0.00 O ATOM 194 OD2 ASP A 11 -5.325 1.553 -14.740 1.00 0.00 O ATOM 0 H ASP A 11 -2.818 0.371 -10.963 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.600 -0.495 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.701 1.899 -11.757 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.615 1.281 -12.986 1.00 0.00 H new ATOM 199 N VAL A 12 -3.007 -1.121 -13.464 1.00 0.00 N ATOM 200 CA VAL A 12 -2.321 -2.170 -14.201 1.00 0.00 C ATOM 201 C VAL A 12 -0.859 -1.924 -13.913 1.00 0.00 C ATOM 202 O VAL A 12 -0.260 -2.672 -13.141 1.00 0.00 O ATOM 203 CB VAL A 12 -2.678 -2.214 -15.707 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.113 -3.508 -16.303 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.191 -2.167 -15.972 1.00 0.00 C ATOM 0 H VAL A 12 -2.560 -0.207 -13.532 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.630 -3.165 -13.881 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.243 -1.328 -16.171 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.355 -3.556 -17.365 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.030 -3.524 -16.177 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.551 -4.365 -15.792 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.373 -2.201 -17.046 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.671 -3.022 -15.495 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.604 -1.245 -15.563 1.00 0.00 H new ATOM 215 N ASP A 13 -0.317 -0.812 -14.419 1.00 0.00 N ATOM 216 CA ASP A 13 1.123 -0.575 -14.355 1.00 0.00 C ATOM 217 C ASP A 13 1.474 0.646 -13.506 1.00 0.00 C ATOM 218 O ASP A 13 2.643 0.884 -13.190 1.00 0.00 O ATOM 219 CB ASP A 13 1.747 -0.479 -15.756 1.00 0.00 C ATOM 220 CG ASP A 13 1.235 -1.513 -16.749 1.00 0.00 C ATOM 221 OD1 ASP A 13 1.414 -2.729 -16.526 1.00 0.00 O ATOM 222 OD2 ASP A 13 0.606 -1.094 -17.749 1.00 0.00 O ATOM 0 H ASP A 13 -0.850 -0.070 -14.873 1.00 0.00 H new ATOM 0 HA ASP A 13 1.557 -1.443 -13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.556 0.516 -16.157 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.828 -0.585 -15.666 1.00 0.00 H new ATOM 227 N LYS A 14 0.463 1.401 -13.075 1.00 0.00 N ATOM 228 CA LYS A 14 0.587 2.570 -12.217 1.00 0.00 C ATOM 229 C LYS A 14 -0.404 2.480 -11.066 1.00 0.00 C ATOM 230 O LYS A 14 -1.267 1.594 -11.044 1.00 0.00 O ATOM 231 CB LYS A 14 0.438 3.875 -13.025 1.00 0.00 C ATOM 232 CG LYS A 14 -0.923 4.059 -13.715 1.00 0.00 C ATOM 233 CD LYS A 14 -0.962 3.513 -15.144 1.00 0.00 C ATOM 234 CE LYS A 14 -0.296 4.426 -16.168 1.00 0.00 C ATOM 235 NZ LYS A 14 -0.610 3.978 -17.538 1.00 0.00 N ATOM 0 H LYS A 14 -0.505 1.202 -13.328 1.00 0.00 H new ATOM 0 HA LYS A 14 1.589 2.589 -11.788 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.607 4.720 -12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.220 3.907 -13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.691 3.561 -13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.172 5.120 -13.733 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.472 2.540 -15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.000 3.353 -15.434 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.637 5.451 -16.027 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.783 4.426 -16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.149 4.610 -18.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.263 3.007 -17.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.640 4.001 -17.683 1.00 0.00 H new ATOM 249 N ILE A 15 -0.265 3.401 -10.119 1.00 0.00 N ATOM 250 CA ILE A 15 -1.153 3.540 -8.976 1.00 0.00 C ATOM 251 C ILE A 15 -2.571 3.801 -9.509 1.00 0.00 C ATOM 252 O ILE A 15 -2.753 4.545 -10.480 1.00 0.00 O ATOM 253 CB ILE A 15 -0.587 4.641 -8.042 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.785 4.174 -7.489 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.563 4.986 -6.909 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.509 5.149 -6.557 1.00 0.00 C ATOM 0 H ILE A 15 0.489 4.088 -10.127 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.214 2.639 -8.366 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.451 5.558 -8.616 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.637 3.236 -6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.439 3.959 -8.334 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.128 5.761 -6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.500 5.347 -7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.755 4.096 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.455 4.712 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.702 6.083 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.887 5.348 -5.684 1.00 0.00 H new ATOM 268 N SER A 16 -3.583 3.190 -8.897 1.00 0.00 N ATOM 269 CA SER A 16 -4.988 3.433 -9.221 1.00 0.00 C ATOM 270 C SER A 16 -5.519 4.662 -8.480 1.00 0.00 C ATOM 271 O SER A 16 -4.939 5.091 -7.486 1.00 0.00 O ATOM 272 CB SER A 16 -5.814 2.206 -8.843 1.00 0.00 C ATOM 273 OG SER A 16 -5.411 1.710 -7.589 1.00 0.00 O ATOM 0 H SER A 16 -3.450 2.504 -8.154 1.00 0.00 H new ATOM 0 HA SER A 16 -5.070 3.620 -10.292 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.872 2.467 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.696 1.433 -9.602 1.00 0.00 H new ATOM 0 HG SER A 16 -5.169 2.458 -7.004 1.00 0.00 H new ATOM 279 N ASN A 17 -6.688 5.151 -8.898 1.00 0.00 N ATOM 280 CA ASN A 17 -7.391 6.294 -8.323 1.00 0.00 C ATOM 281 C ASN A 17 -7.556 6.221 -6.802 1.00 0.00 C ATOM 282 O ASN A 17 -7.375 7.239 -6.133 1.00 0.00 O ATOM 283 CB ASN A 17 -8.777 6.395 -8.982 1.00 0.00 C ATOM 284 CG ASN A 17 -9.611 7.616 -8.596 1.00 0.00 C ATOM 285 OD1 ASN A 17 -10.813 7.639 -8.842 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.019 8.670 -8.067 1.00 0.00 N ATOM 0 H ASN A 17 -7.192 4.740 -9.684 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.783 7.177 -8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.644 6.397 -10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.343 5.498 -8.732 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.561 9.509 -7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.020 8.646 -7.864 1.00 0.00 H new ATOM 293 N SER A 18 -7.930 5.061 -6.259 1.00 0.00 N ATOM 294 CA SER A 18 -8.398 4.963 -4.877 1.00 0.00 C ATOM 295 C SER A 18 -8.376 3.502 -4.415 1.00 0.00 C ATOM 296 O SER A 18 -8.186 2.592 -5.225 1.00 0.00 O ATOM 297 CB SER A 18 -9.783 5.636 -4.725 1.00 0.00 C ATOM 298 OG SER A 18 -10.440 5.814 -5.967 1.00 0.00 O ATOM 0 H SER A 18 -7.917 4.172 -6.759 1.00 0.00 H new ATOM 0 HA SER A 18 -7.721 5.508 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.408 5.029 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.661 6.605 -4.240 1.00 0.00 H new ATOM 0 HG SER A 18 -11.378 5.542 -5.883 1.00 0.00 H new ATOM 304 N PHE A 19 -8.546 3.285 -3.109 1.00 0.00 N ATOM 305 CA PHE A 19 -8.458 1.993 -2.435 1.00 0.00 C ATOM 306 C PHE A 19 -9.599 1.043 -2.833 1.00 0.00 C ATOM 307 O PHE A 19 -9.428 -0.166 -2.717 1.00 0.00 O ATOM 308 CB PHE A 19 -8.428 2.244 -0.914 1.00 0.00 C ATOM 309 CG PHE A 19 -8.373 0.993 -0.050 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.143 0.382 0.276 1.00 0.00 C ATOM 311 CD2 PHE A 19 -9.569 0.408 0.410 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.122 -0.821 1.000 1.00 0.00 C ATOM 313 CE2 PHE A 19 -9.541 -0.781 1.157 1.00 0.00 C ATOM 314 CZ PHE A 19 -8.317 -1.402 1.447 1.00 0.00 C ATOM 0 H PHE A 19 -8.759 4.045 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.542 1.490 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.562 2.864 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.314 2.817 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.215 0.841 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.515 0.878 0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.179 -1.302 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.464 -1.218 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.295 -2.323 2.011 1.00 0.00 H new ATOM 324 N GLU A 20 -10.748 1.544 -3.305 1.00 0.00 N ATOM 325 CA GLU A 20 -11.795 0.678 -3.868 1.00 0.00 C ATOM 326 C GLU A 20 -11.708 0.611 -5.398 1.00 0.00 C ATOM 327 O GLU A 20 -12.051 -0.405 -6.000 1.00 0.00 O ATOM 328 CB GLU A 20 -13.194 1.142 -3.427 1.00 0.00 C ATOM 329 CG GLU A 20 -13.529 0.793 -1.968 1.00 0.00 C ATOM 330 CD GLU A 20 -13.778 -0.703 -1.695 1.00 0.00 C ATOM 331 OE1 GLU A 20 -13.322 -1.575 -2.465 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.332 -1.043 -0.621 1.00 0.00 O ATOM 0 H GLU A 20 -10.976 2.538 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.628 -0.326 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.268 2.221 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.940 0.689 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.710 1.131 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.416 1.353 -1.671 1.00 0.00 H new ATOM 339 N ASP A 21 -11.234 1.676 -6.047 1.00 0.00 N ATOM 340 CA ASP A 21 -11.139 1.805 -7.505 1.00 0.00 C ATOM 341 C ASP A 21 -9.870 1.132 -8.057 1.00 0.00 C ATOM 342 O ASP A 21 -9.487 1.361 -9.213 1.00 0.00 O ATOM 343 CB ASP A 21 -11.122 3.289 -7.897 1.00 0.00 C ATOM 344 CG ASP A 21 -12.414 4.042 -7.592 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.633 4.433 -6.419 1.00 0.00 O ATOM 346 OD2 ASP A 21 -13.158 4.332 -8.555 1.00 0.00 O ATOM 0 H ASP A 21 -10.893 2.502 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.009 1.307 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.300 3.779 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.915 3.367 -8.964 1.00 0.00 H new ATOM 351 N CYS A 22 -9.156 0.368 -7.229 1.00 0.00 N ATOM 352 CA CYS A 22 -7.983 -0.376 -7.646 1.00 0.00 C ATOM 353 C CYS A 22 -8.387 -1.667 -8.345 1.00 0.00 C ATOM 354 O CYS A 22 -9.531 -2.113 -8.286 1.00 0.00 O ATOM 355 CB CYS A 22 -7.065 -0.631 -6.442 1.00 0.00 C ATOM 356 SG CYS A 22 -7.926 -1.525 -5.131 1.00 0.00 S ATOM 0 H CYS A 22 -9.384 0.252 -6.242 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.421 0.215 -8.369 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.194 -1.203 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.698 0.320 -6.055 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.107 -1.746 -4.146 1.00 0.00 H new ATOM 362 N LYS A 23 -7.404 -2.283 -8.984 1.00 0.00 N ATOM 363 CA LYS A 23 -7.490 -3.597 -9.600 1.00 0.00 C ATOM 364 C LYS A 23 -6.695 -4.589 -8.773 1.00 0.00 C ATOM 365 O LYS A 23 -7.024 -5.772 -8.780 1.00 0.00 O ATOM 366 CB LYS A 23 -6.865 -3.529 -10.989 1.00 0.00 C ATOM 367 CG LYS A 23 -7.742 -2.925 -12.090 1.00 0.00 C ATOM 368 CD LYS A 23 -8.393 -1.576 -11.803 1.00 0.00 C ATOM 369 CE LYS A 23 -8.950 -1.052 -13.123 1.00 0.00 C ATOM 370 NZ LYS A 23 -9.461 0.311 -12.961 1.00 0.00 N ATOM 0 H LYS A 23 -6.482 -1.860 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.533 -3.906 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.945 -2.947 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.583 -4.538 -11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.133 -2.822 -12.988 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.533 -3.639 -12.321 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.188 -1.682 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.665 -0.878 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.170 -1.066 -13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.748 -1.707 -13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.123 0.528 -13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.955 0.390 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.668 0.984 -12.985 1.00 0.00 H new ATOM 384 N TYR A 24 -5.648 -4.144 -8.073 1.00 0.00 N ATOM 385 CA TYR A 24 -4.878 -4.983 -7.178 1.00 0.00 C ATOM 386 C TYR A 24 -4.106 -4.153 -6.164 1.00 0.00 C ATOM 387 O TYR A 24 -4.134 -2.924 -6.189 1.00 0.00 O ATOM 388 CB TYR A 24 -3.955 -5.914 -7.979 1.00 0.00 C ATOM 389 CG TYR A 24 -2.816 -5.288 -8.741 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.004 -4.877 -10.071 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.539 -5.239 -8.161 1.00 0.00 C ATOM 392 CE1 TYR A 24 -1.908 -4.452 -10.837 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.444 -4.815 -8.918 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.615 -4.437 -10.270 1.00 0.00 C ATOM 395 OH TYR A 24 0.464 -4.097 -11.029 1.00 0.00 O ATOM 0 H TYR A 24 -5.316 -3.181 -8.119 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.570 -5.606 -6.611 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.534 -6.644 -7.288 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.570 -6.465 -8.690 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.993 -4.888 -10.504 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.403 -5.529 -7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.053 -4.137 -11.860 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.537 -4.776 -8.469 1.00 0.00 H new ATOM 0 HH TYR A 24 0.164 -3.611 -11.825 1.00 0.00 H new ATOM 405 N PHE A 25 -3.405 -4.859 -5.290 1.00 0.00 N ATOM 406 CA PHE A 25 -2.583 -4.402 -4.201 1.00 0.00 C ATOM 407 C PHE A 25 -1.213 -5.029 -4.398 1.00 0.00 C ATOM 408 O PHE A 25 -1.045 -6.243 -4.248 1.00 0.00 O ATOM 409 CB PHE A 25 -3.224 -4.806 -2.877 1.00 0.00 C ATOM 410 CG PHE A 25 -4.550 -4.120 -2.646 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.575 -2.750 -2.340 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.750 -4.846 -2.754 1.00 0.00 C ATOM 413 CE1 PHE A 25 -5.804 -2.107 -2.112 1.00 0.00 C ATOM 414 CE2 PHE A 25 -6.979 -4.202 -2.526 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.004 -2.835 -2.199 1.00 0.00 C ATOM 0 H PHE A 25 -3.405 -5.878 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.485 -3.317 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.369 -5.886 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.545 -4.564 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.652 -2.192 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.727 -5.895 -3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.827 -1.055 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.902 -4.757 -2.602 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.947 -2.343 -2.014 1.00 0.00 H new ATOM 425 N LEU A 26 -0.243 -4.227 -4.834 1.00 0.00 N ATOM 426 CA LEU A 26 1.130 -4.677 -5.002 1.00 0.00 C ATOM 427 C LEU A 26 1.761 -4.769 -3.613 1.00 0.00 C ATOM 428 O LEU A 26 1.933 -3.741 -2.957 1.00 0.00 O ATOM 429 CB LEU A 26 1.910 -3.728 -5.931 1.00 0.00 C ATOM 430 CG LEU A 26 3.245 -4.234 -6.492 1.00 0.00 C ATOM 431 CD1 LEU A 26 4.238 -4.618 -5.406 1.00 0.00 C ATOM 432 CD2 LEU A 26 3.089 -5.413 -7.457 1.00 0.00 C ATOM 0 H LEU A 26 -0.391 -3.248 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 26 1.158 -5.657 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.265 -3.474 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.102 -2.804 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 26 3.638 -3.381 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.162 -4.968 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.449 -3.749 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.815 -5.412 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.071 -5.721 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.614 -6.246 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.471 -5.112 -8.303 1.00 0.00 H new ATOM 444 N ILE A 27 2.071 -5.975 -3.137 1.00 0.00 N ATOM 445 CA ILE A 27 2.773 -6.161 -1.873 1.00 0.00 C ATOM 446 C ILE A 27 4.266 -5.950 -2.132 1.00 0.00 C ATOM 447 O ILE A 27 4.941 -6.840 -2.649 1.00 0.00 O ATOM 448 CB ILE A 27 2.444 -7.510 -1.182 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.920 -7.783 -1.094 1.00 0.00 C ATOM 450 CG2 ILE A 27 3.085 -7.591 0.219 1.00 0.00 C ATOM 451 CD1 ILE A 27 0.066 -6.680 -0.433 1.00 0.00 C ATOM 0 H ILE A 27 1.842 -6.846 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 27 2.428 -5.422 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 27 2.875 -8.288 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.543 -7.949 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.770 -8.710 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.836 -8.548 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.168 -7.502 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.704 -6.781 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.981 -6.984 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.403 -6.525 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.172 -5.752 -0.995 1.00 0.00 H new ATOM 463 N VAL A 28 4.797 -4.766 -1.844 1.00 0.00 N ATOM 464 CA VAL A 28 6.239 -4.521 -1.791 1.00 0.00 C ATOM 465 C VAL A 28 6.774 -5.377 -0.651 1.00 0.00 C ATOM 466 O VAL A 28 6.187 -5.332 0.430 1.00 0.00 O ATOM 467 CB VAL A 28 6.607 -3.016 -1.592 1.00 0.00 C ATOM 468 CG1 VAL A 28 8.066 -2.760 -1.999 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.735 -2.092 -2.424 1.00 0.00 C ATOM 0 H VAL A 28 4.235 -3.940 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 28 6.692 -4.787 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 28 6.450 -2.804 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.305 -1.706 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.728 -3.370 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.202 -3.022 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.031 -1.058 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.856 -2.331 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.691 -2.223 -2.140 1.00 0.00 H new ATOM 479 N ARG A 29 7.868 -6.123 -0.860 1.00 0.00 N ATOM 480 CA ARG A 29 8.652 -6.697 0.227 1.00 0.00 C ATOM 481 C ARG A 29 10.045 -6.131 0.097 1.00 0.00 C ATOM 482 O ARG A 29 10.814 -6.558 -0.769 1.00 0.00 O ATOM 483 CB ARG A 29 8.616 -8.230 0.274 1.00 0.00 C ATOM 484 CG ARG A 29 9.319 -8.750 1.547 1.00 0.00 C ATOM 485 CD ARG A 29 8.933 -10.187 1.920 1.00 0.00 C ATOM 486 NE ARG A 29 9.309 -11.188 0.906 1.00 0.00 N ATOM 487 CZ ARG A 29 8.574 -12.248 0.536 1.00 0.00 C ATOM 488 NH1 ARG A 29 7.439 -12.567 1.164 1.00 0.00 N ATOM 489 NH2 ARG A 29 8.990 -13.009 -0.467 1.00 0.00 N ATOM 0 H ARG A 29 8.229 -6.342 -1.789 1.00 0.00 H new ATOM 0 HA ARG A 29 8.218 -6.420 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.582 -8.576 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.105 -8.638 -0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.398 -8.699 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.077 -8.090 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.408 -10.446 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.856 -10.234 2.081 1.00 0.00 H new ATOM 0 HE ARG A 29 10.210 -11.064 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.112 -11.999 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.900 -13.378 0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.861 -12.786 -0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.439 -13.817 -0.757 1.00 0.00 H new ATOM 503 N ILE A 30 10.323 -5.105 0.884 1.00 0.00 N ATOM 504 CA ILE A 30 11.688 -4.642 1.059 1.00 0.00 C ATOM 505 C ILE A 30 12.332 -5.644 2.022 1.00 0.00 C ATOM 506 O ILE A 30 11.641 -6.283 2.823 1.00 0.00 O ATOM 507 CB ILE A 30 11.678 -3.177 1.559 1.00 0.00 C ATOM 508 CG1 ILE A 30 11.058 -2.247 0.491 1.00 0.00 C ATOM 509 CG2 ILE A 30 13.056 -2.587 1.882 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.785 -1.553 0.947 1.00 0.00 C ATOM 0 H ILE A 30 9.625 -4.579 1.409 1.00 0.00 H new ATOM 0 HA ILE A 30 12.271 -4.612 0.138 1.00 0.00 H new ATOM 0 HB ILE A 30 11.099 -3.223 2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.792 -1.492 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.842 -2.830 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.940 -1.558 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 30 13.530 -3.178 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.678 -2.604 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.409 -0.918 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.034 -2.301 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.998 -0.942 1.824 1.00 0.00 H new ATOM 522 N ASP A 31 13.650 -5.803 1.927 1.00 0.00 N ATOM 523 CA ASP A 31 14.399 -6.713 2.798 1.00 0.00 C ATOM 524 C ASP A 31 15.713 -6.143 3.281 1.00 0.00 C ATOM 525 O ASP A 31 16.211 -6.573 4.315 1.00 0.00 O ATOM 526 CB ASP A 31 14.619 -8.060 2.091 1.00 0.00 C ATOM 527 CG ASP A 31 13.536 -9.088 2.414 1.00 0.00 C ATOM 528 OD1 ASP A 31 13.227 -9.299 3.607 1.00 0.00 O ATOM 529 OD2 ASP A 31 13.119 -9.809 1.470 1.00 0.00 O ATOM 0 H ASP A 31 14.229 -5.308 1.248 1.00 0.00 H new ATOM 0 HA ASP A 31 13.790 -6.861 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.648 -7.898 1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.591 -8.461 2.380 1.00 0.00 H new ATOM 534 N ASP A 32 16.231 -5.142 2.584 1.00 0.00 N ATOM 535 CA ASP A 32 17.367 -4.343 3.024 1.00 0.00 C ATOM 536 C ASP A 32 17.337 -3.068 2.212 1.00 0.00 C ATOM 537 O ASP A 32 18.100 -2.871 1.270 1.00 0.00 O ATOM 538 CB ASP A 32 18.677 -5.134 2.884 1.00 0.00 C ATOM 539 CG ASP A 32 19.774 -4.643 3.818 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.703 -3.520 4.364 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.694 -5.449 4.095 1.00 0.00 O ATOM 0 H ASP A 32 15.865 -4.856 1.676 1.00 0.00 H new ATOM 0 HA ASP A 32 17.307 -4.093 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.482 -6.187 3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.027 -5.066 1.854 1.00 0.00 H new ATOM 546 N ASN A 33 16.312 -2.269 2.503 1.00 0.00 N ATOM 547 CA ASN A 33 15.960 -1.003 1.853 1.00 0.00 C ATOM 548 C ASN A 33 15.780 -1.076 0.333 1.00 0.00 C ATOM 549 O ASN A 33 15.617 -0.034 -0.293 1.00 0.00 O ATOM 550 CB ASN A 33 16.933 0.106 2.257 1.00 0.00 C ATOM 551 CG ASN A 33 16.863 0.408 3.737 1.00 0.00 C ATOM 552 OD1 ASN A 33 15.763 0.934 4.260 1.00 0.00 O flip ATOM 553 ND2 ASN A 33 17.800 0.117 4.457 1.00 0.00 N flip ATOM 0 H ASN A 33 15.659 -2.503 3.251 1.00 0.00 H new ATOM 0 HA ASN A 33 14.965 -0.759 2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.949 -0.189 1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.708 1.010 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.646 -0.287 4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.740 0.277 5.462 1.00 0.00 H new ATOM 560 N GLU A 34 15.736 -2.272 -0.258 1.00 0.00 N ATOM 561 CA GLU A 34 15.580 -2.475 -1.687 1.00 0.00 C ATOM 562 C GLU A 34 14.467 -3.455 -2.017 1.00 0.00 C ATOM 563 O GLU A 34 14.121 -4.328 -1.214 1.00 0.00 O ATOM 564 CB GLU A 34 16.907 -3.009 -2.244 1.00 0.00 C ATOM 565 CG GLU A 34 17.967 -1.921 -2.373 1.00 0.00 C ATOM 566 CD GLU A 34 17.602 -0.907 -3.447 1.00 0.00 C ATOM 567 OE1 GLU A 34 17.337 -1.343 -4.592 1.00 0.00 O ATOM 568 OE2 GLU A 34 17.499 0.296 -3.123 1.00 0.00 O ATOM 0 H GLU A 34 15.810 -3.145 0.264 1.00 0.00 H new ATOM 0 HA GLU A 34 15.312 -1.520 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.279 -3.799 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.732 -3.459 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.085 -1.412 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.928 -2.376 -2.613 1.00 0.00 H new ATOM 575 N VAL A 35 13.988 -3.340 -3.255 1.00 0.00 N ATOM 576 CA VAL A 35 12.962 -4.187 -3.853 1.00 0.00 C ATOM 577 C VAL A 35 13.574 -5.565 -4.086 1.00 0.00 C ATOM 578 O VAL A 35 14.234 -5.780 -5.106 1.00 0.00 O ATOM 579 CB VAL A 35 12.418 -3.596 -5.180 1.00 0.00 C ATOM 580 CG1 VAL A 35 11.279 -4.473 -5.732 1.00 0.00 C ATOM 581 CG2 VAL A 35 11.865 -2.175 -5.040 1.00 0.00 C ATOM 0 H VAL A 35 14.321 -2.620 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 35 12.110 -4.253 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 35 13.275 -3.570 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.908 -4.044 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.653 -5.480 -5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.468 -4.517 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.503 -1.828 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.044 -2.173 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.654 -1.510 -4.689 1.00 0.00 H new ATOM 591 N LYS A 36 13.372 -6.511 -3.162 1.00 0.00 N ATOM 592 CA LYS A 36 13.808 -7.891 -3.394 1.00 0.00 C ATOM 593 C LYS A 36 12.655 -8.796 -3.825 1.00 0.00 C ATOM 594 O LYS A 36 12.932 -9.821 -4.458 1.00 0.00 O ATOM 595 CB LYS A 36 14.627 -8.470 -2.222 1.00 0.00 C ATOM 596 CG LYS A 36 15.762 -7.608 -1.647 1.00 0.00 C ATOM 597 CD LYS A 36 16.543 -6.789 -2.677 1.00 0.00 C ATOM 598 CE LYS A 36 17.970 -6.532 -2.203 1.00 0.00 C ATOM 599 NZ LYS A 36 18.861 -7.666 -2.512 1.00 0.00 N ATOM 0 H LYS A 36 12.918 -6.351 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 36 14.499 -7.856 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.936 -8.698 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.058 -9.416 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 36 15.341 -6.926 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.459 -8.259 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.562 -7.319 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.037 -5.839 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.354 -5.628 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.969 -6.352 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.822 -7.454 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.509 -8.523 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.881 -7.821 -3.540 1.00 0.00 H new ATOM 613 N SER A 37 11.389 -8.442 -3.572 1.00 0.00 N ATOM 614 CA SER A 37 10.240 -9.185 -4.068 1.00 0.00 C ATOM 615 C SER A 37 8.993 -8.297 -4.133 1.00 0.00 C ATOM 616 O SER A 37 8.787 -7.433 -3.273 1.00 0.00 O ATOM 617 CB SER A 37 9.986 -10.358 -3.118 1.00 0.00 C ATOM 618 OG SER A 37 10.927 -11.400 -3.268 1.00 0.00 O ATOM 0 H SER A 37 11.139 -7.626 -3.013 1.00 0.00 H new ATOM 0 HA SER A 37 10.449 -9.540 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.011 -9.998 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.985 -10.751 -3.294 1.00 0.00 H new ATOM 0 HG SER A 37 11.679 -11.086 -3.812 1.00 0.00 H new ATOM 624 N THR A 38 8.106 -8.574 -5.090 1.00 0.00 N ATOM 625 CA THR A 38 6.784 -7.963 -5.258 1.00 0.00 C ATOM 626 C THR A 38 5.713 -9.070 -5.332 1.00 0.00 C ATOM 627 O THR A 38 6.018 -10.226 -5.649 1.00 0.00 O ATOM 628 CB THR A 38 6.800 -7.094 -6.530 1.00 0.00 C ATOM 629 OG1 THR A 38 7.408 -7.774 -7.619 1.00 0.00 O ATOM 630 CG2 THR A 38 7.570 -5.792 -6.284 1.00 0.00 C ATOM 0 H THR A 38 8.301 -9.270 -5.810 1.00 0.00 H new ATOM 0 HA THR A 38 6.541 -7.325 -4.409 1.00 0.00 H new ATOM 0 HB THR A 38 5.761 -6.876 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.401 -7.196 -8.411 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.570 -5.192 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.091 -5.232 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.597 -6.024 -6.002 1.00 0.00 H new ATOM 638 N LYS A 39 4.451 -8.757 -5.018 1.00 0.00 N ATOM 639 CA LYS A 39 3.328 -9.703 -5.025 1.00 0.00 C ATOM 640 C LYS A 39 2.076 -8.974 -5.465 1.00 0.00 C ATOM 641 O LYS A 39 2.012 -7.764 -5.279 1.00 0.00 O ATOM 642 CB LYS A 39 3.067 -10.226 -3.605 1.00 0.00 C ATOM 643 CG LYS A 39 2.862 -11.745 -3.481 1.00 0.00 C ATOM 644 CD LYS A 39 4.062 -12.436 -2.834 1.00 0.00 C ATOM 645 CE LYS A 39 4.995 -13.167 -3.811 1.00 0.00 C ATOM 646 NZ LYS A 39 4.570 -14.543 -4.142 1.00 0.00 N ATOM 0 H LYS A 39 4.175 -7.814 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 39 3.572 -10.527 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.906 -9.938 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.183 -9.725 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.968 -11.943 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.690 -12.169 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.642 -11.690 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.696 -13.153 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.063 -12.588 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.996 -13.202 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.250 -14.967 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.532 -15.113 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.628 -14.519 -4.582 1.00 0.00 H new ATOM 660 N VAL A 40 1.039 -9.692 -5.883 1.00 0.00 N ATOM 661 CA VAL A 40 -0.218 -9.105 -6.330 1.00 0.00 C ATOM 662 C VAL A 40 -1.353 -9.816 -5.586 1.00 0.00 C ATOM 663 O VAL A 40 -1.572 -11.021 -5.745 1.00 0.00 O ATOM 664 CB VAL A 40 -0.273 -9.232 -7.867 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.643 -8.861 -8.441 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.814 -8.341 -8.502 1.00 0.00 C ATOM 0 H VAL A 40 1.049 -10.711 -5.921 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.314 -8.043 -6.102 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.094 -10.279 -8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.624 -8.968 -9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.403 -9.522 -8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.878 -7.829 -8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.772 -8.433 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.644 -7.302 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.796 -8.657 -8.149 1.00 0.00 H new ATOM 676 N ILE A 41 -2.036 -9.093 -4.700 1.00 0.00 N ATOM 677 CA ILE A 41 -3.360 -9.462 -4.208 1.00 0.00 C ATOM 678 C ILE A 41 -4.325 -8.684 -5.104 1.00 0.00 C ATOM 679 O ILE A 41 -4.273 -7.455 -5.079 1.00 0.00 O ATOM 680 CB ILE A 41 -3.520 -9.039 -2.729 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.455 -9.637 -1.794 1.00 0.00 C ATOM 682 CG2 ILE A 41 -4.927 -9.391 -2.226 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.632 -9.222 -0.329 1.00 0.00 C ATOM 0 H ILE A 41 -1.680 -8.225 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.539 -10.537 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.374 -7.959 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.490 -10.724 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.467 -9.328 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.027 -9.088 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.670 -8.869 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.084 -10.466 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.848 -9.678 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.567 -8.137 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.606 -9.555 0.028 1.00 0.00 H new ATOM 695 N PHE A 42 -5.159 -9.338 -5.916 1.00 0.00 N ATOM 696 CA PHE A 42 -6.124 -8.586 -6.722 1.00 0.00 C ATOM 697 C PHE A 42 -7.163 -7.914 -5.825 1.00 0.00 C ATOM 698 O PHE A 42 -7.386 -8.336 -4.691 1.00 0.00 O ATOM 699 CB PHE A 42 -6.776 -9.489 -7.764 1.00 0.00 C ATOM 700 CG PHE A 42 -5.792 -9.951 -8.812 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.251 -9.041 -9.740 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.400 -11.296 -8.852 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.306 -9.472 -10.690 1.00 0.00 C ATOM 704 CE2 PHE A 42 -4.463 -11.727 -9.797 1.00 0.00 C ATOM 705 CZ PHE A 42 -3.906 -10.819 -10.715 1.00 0.00 C ATOM 0 H PHE A 42 -5.188 -10.351 -6.032 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.594 -7.799 -7.259 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.212 -10.357 -7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.594 -8.953 -8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.563 -8.007 -9.723 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.822 -12.001 -8.152 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.890 -8.770 -11.397 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.165 -12.765 -9.822 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.175 -11.155 -11.435 1.00 0.00 H new ATOM 715 N ASN A 43 -7.811 -6.867 -6.330 1.00 0.00 N ATOM 716 CA ASN A 43 -8.890 -6.182 -5.642 1.00 0.00 C ATOM 717 C ASN A 43 -10.164 -6.977 -5.888 1.00 0.00 C ATOM 718 O ASN A 43 -10.943 -6.643 -6.784 1.00 0.00 O ATOM 719 CB ASN A 43 -9.037 -4.727 -6.118 1.00 0.00 C ATOM 720 CG ASN A 43 -10.208 -4.039 -5.412 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.579 -4.407 -4.306 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.876 -3.094 -6.050 1.00 0.00 N ATOM 0 H ASN A 43 -7.594 -6.468 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.676 -6.127 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.115 -4.180 -5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.194 -4.707 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.699 -2.673 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.568 -2.786 -6.972 1.00 0.00 H new ATOM 729 N ASP A 44 -10.368 -8.041 -5.119 1.00 0.00 N ATOM 730 CA ASP A 44 -11.569 -8.851 -5.174 1.00 0.00 C ATOM 731 C ASP A 44 -12.102 -9.035 -3.755 1.00 0.00 C ATOM 732 O ASP A 44 -11.631 -8.438 -2.784 1.00 0.00 O ATOM 733 CB ASP A 44 -11.341 -10.238 -5.793 1.00 0.00 C ATOM 734 CG ASP A 44 -10.607 -10.335 -7.115 1.00 0.00 C ATOM 735 OD1 ASP A 44 -11.167 -9.890 -8.139 1.00 0.00 O ATOM 736 OD2 ASP A 44 -9.559 -11.025 -7.115 1.00 0.00 O ATOM 0 H ASP A 44 -9.689 -8.366 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.279 -8.325 -5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.793 -10.838 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.317 -10.706 -5.922 1.00 0.00 H new ATOM 741 N GLU A 45 -13.091 -9.911 -3.640 1.00 0.00 N ATOM 742 CA GLU A 45 -13.650 -10.413 -2.407 1.00 0.00 C ATOM 743 C GLU A 45 -12.587 -11.114 -1.569 1.00 0.00 C ATOM 744 O GLU A 45 -12.431 -10.798 -0.390 1.00 0.00 O ATOM 745 CB GLU A 45 -14.779 -11.360 -2.818 1.00 0.00 C ATOM 746 CG GLU A 45 -15.668 -11.793 -1.659 1.00 0.00 C ATOM 747 CD GLU A 45 -17.126 -11.525 -2.029 1.00 0.00 C ATOM 748 OE1 GLU A 45 -17.539 -10.349 -1.913 1.00 0.00 O ATOM 749 OE2 GLU A 45 -17.838 -12.460 -2.461 1.00 0.00 O ATOM 0 H GLU A 45 -13.548 -10.310 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.031 -9.609 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.394 -10.871 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.347 -12.246 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.521 -12.852 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.402 -11.246 -0.754 1.00 0.00 H new ATOM 756 N SER A 46 -11.827 -12.035 -2.167 1.00 0.00 N ATOM 757 CA SER A 46 -10.733 -12.681 -1.454 1.00 0.00 C ATOM 758 C SER A 46 -9.640 -11.670 -1.107 1.00 0.00 C ATOM 759 O SER A 46 -9.087 -11.728 -0.013 1.00 0.00 O ATOM 760 CB SER A 46 -10.153 -13.821 -2.290 1.00 0.00 C ATOM 761 OG SER A 46 -11.120 -14.822 -2.529 1.00 0.00 O ATOM 0 H SER A 46 -11.950 -12.344 -3.131 1.00 0.00 H new ATOM 0 HA SER A 46 -11.127 -13.093 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.788 -13.430 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.297 -14.255 -1.774 1.00 0.00 H new ATOM 0 HG SER A 46 -10.723 -15.538 -3.067 1.00 0.00 H new ATOM 767 N GLY A 47 -9.361 -10.717 -2.000 1.00 0.00 N ATOM 768 CA GLY A 47 -8.251 -9.795 -1.867 1.00 0.00 C ATOM 769 C GLY A 47 -8.289 -9.012 -0.566 1.00 0.00 C ATOM 770 O GLY A 47 -7.409 -9.152 0.279 1.00 0.00 O ATOM 0 H GLY A 47 -9.913 -10.569 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.315 -10.350 -1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.261 -9.098 -2.705 1.00 0.00 H new ATOM 774 N LYS A 48 -9.326 -8.200 -0.375 1.00 0.00 N ATOM 775 CA LYS A 48 -9.518 -7.403 0.838 1.00 0.00 C ATOM 776 C LYS A 48 -9.611 -8.293 2.075 1.00 0.00 C ATOM 777 O LYS A 48 -9.203 -7.857 3.148 1.00 0.00 O ATOM 778 CB LYS A 48 -10.796 -6.566 0.646 1.00 0.00 C ATOM 779 CG LYS A 48 -10.539 -5.376 -0.299 1.00 0.00 C ATOM 780 CD LYS A 48 -11.723 -5.043 -1.218 1.00 0.00 C ATOM 781 CE LYS A 48 -12.931 -4.445 -0.487 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.982 -4.011 -1.435 1.00 0.00 N ATOM 0 H LYS A 48 -10.066 -8.074 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.663 -6.746 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.589 -7.194 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.144 -6.200 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.297 -4.497 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.666 -5.595 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.390 -4.341 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.036 -5.951 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.343 -5.184 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.609 -3.595 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.817 -3.690 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.622 -3.229 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.247 -4.808 -2.049 1.00 0.00 H new ATOM 796 N LYS A 49 -10.090 -9.536 1.957 1.00 0.00 N ATOM 797 CA LYS A 49 -10.095 -10.480 3.066 1.00 0.00 C ATOM 798 C LYS A 49 -8.689 -10.972 3.403 1.00 0.00 C ATOM 799 O LYS A 49 -8.434 -11.210 4.587 1.00 0.00 O ATOM 800 CB LYS A 49 -11.026 -11.648 2.730 1.00 0.00 C ATOM 801 CG LYS A 49 -12.494 -11.220 2.809 1.00 0.00 C ATOM 802 CD LYS A 49 -13.395 -12.367 2.352 1.00 0.00 C ATOM 803 CE LYS A 49 -14.818 -11.840 2.202 1.00 0.00 C ATOM 804 NZ LYS A 49 -15.735 -12.882 1.709 1.00 0.00 N ATOM 0 H LYS A 49 -10.482 -9.909 1.092 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.464 -9.969 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.805 -12.018 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.846 -12.472 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.744 -10.934 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.661 -10.343 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.040 -12.772 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.368 -13.181 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.172 -11.469 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.823 -10.995 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.693 -12.487 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.411 -13.218 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.749 -13.677 2.379 1.00 0.00 H new ATOM 818 N SER A 50 -7.789 -11.097 2.424 1.00 0.00 N ATOM 819 CA SER A 50 -6.388 -11.405 2.670 1.00 0.00 C ATOM 820 C SER A 50 -5.720 -10.265 3.430 1.00 0.00 C ATOM 821 O SER A 50 -4.921 -10.542 4.317 1.00 0.00 O ATOM 822 CB SER A 50 -5.635 -11.662 1.360 1.00 0.00 C ATOM 823 OG SER A 50 -6.244 -12.674 0.581 1.00 0.00 O ATOM 0 H SER A 50 -8.018 -10.986 1.436 1.00 0.00 H new ATOM 0 HA SER A 50 -6.350 -12.313 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.590 -10.739 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.607 -11.948 1.584 1.00 0.00 H new ATOM 0 HG SER A 50 -7.153 -12.399 0.340 1.00 0.00 H new ATOM 829 N ILE A 51 -6.056 -9.001 3.125 1.00 0.00 N ATOM 830 CA ILE A 51 -5.431 -7.829 3.754 1.00 0.00 C ATOM 831 C ILE A 51 -5.694 -7.789 5.279 1.00 0.00 C ATOM 832 O ILE A 51 -5.006 -7.100 6.028 1.00 0.00 O ATOM 833 CB ILE A 51 -5.869 -6.522 3.049 1.00 0.00 C ATOM 834 CG1 ILE A 51 -5.502 -6.581 1.548 1.00 0.00 C ATOM 835 CG2 ILE A 51 -5.175 -5.336 3.731 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.570 -5.257 0.782 1.00 0.00 C ATOM 0 H ILE A 51 -6.769 -8.764 2.435 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.352 -7.918 3.629 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.949 -6.401 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.490 -6.977 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.168 -7.293 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.476 -4.409 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.461 -5.302 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.094 -5.453 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.292 -5.424 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.585 -4.862 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.882 -4.541 1.231 1.00 0.00 H new ATOM 848 N VAL A 52 -6.671 -8.527 5.785 1.00 0.00 N ATOM 849 CA VAL A 52 -6.919 -8.683 7.217 1.00 0.00 C ATOM 850 C VAL A 52 -6.013 -9.743 7.849 1.00 0.00 C ATOM 851 O VAL A 52 -5.703 -9.610 9.038 1.00 0.00 O ATOM 852 CB VAL A 52 -8.408 -8.993 7.442 1.00 0.00 C ATOM 853 CG1 VAL A 52 -8.827 -8.956 8.919 1.00 0.00 C ATOM 854 CG2 VAL A 52 -9.241 -7.953 6.704 1.00 0.00 C ATOM 0 H VAL A 52 -7.329 -9.046 5.203 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.673 -7.746 7.717 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.574 -10.005 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.890 -9.184 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.253 -9.694 9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.636 -7.963 9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.300 -8.161 6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.008 -6.960 7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.012 -7.992 5.639 1.00 0.00 H new ATOM 864 N LYS A 53 -5.601 -10.775 7.105 1.00 0.00 N ATOM 865 CA LYS A 53 -4.854 -11.912 7.615 1.00 0.00 C ATOM 866 C LYS A 53 -3.530 -12.019 6.860 1.00 0.00 C ATOM 867 O LYS A 53 -3.214 -13.045 6.257 1.00 0.00 O ATOM 868 CB LYS A 53 -5.690 -13.197 7.503 1.00 0.00 C ATOM 869 CG LYS A 53 -6.709 -13.408 8.628 1.00 0.00 C ATOM 870 CD LYS A 53 -8.054 -12.694 8.426 1.00 0.00 C ATOM 871 CE LYS A 53 -9.223 -13.673 8.613 1.00 0.00 C ATOM 872 NZ LYS A 53 -9.370 -14.147 10.004 1.00 0.00 N ATOM 0 H LYS A 53 -5.787 -10.837 6.104 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.633 -11.770 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.220 -13.186 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.014 -14.052 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.894 -14.477 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.270 -13.066 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.145 -11.872 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.094 -12.259 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.148 -13.187 8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.078 -14.531 7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.175 -14.803 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.501 -14.637 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.538 -13.335 10.632 1.00 0.00 H new ATOM 886 N GLU A 54 -2.767 -10.938 6.859 1.00 0.00 N ATOM 887 CA GLU A 54 -1.493 -10.798 6.180 1.00 0.00 C ATOM 888 C GLU A 54 -0.385 -10.401 7.165 1.00 0.00 C ATOM 889 O GLU A 54 -0.527 -10.509 8.382 1.00 0.00 O ATOM 890 CB GLU A 54 -1.661 -9.778 5.044 1.00 0.00 C ATOM 891 CG GLU A 54 -2.467 -8.529 5.397 1.00 0.00 C ATOM 892 CD GLU A 54 -2.178 -7.909 6.767 1.00 0.00 C ATOM 893 OE1 GLU A 54 -1.242 -7.090 6.877 1.00 0.00 O ATOM 894 OE2 GLU A 54 -2.828 -8.315 7.760 1.00 0.00 O ATOM 0 H GLU A 54 -3.036 -10.091 7.359 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.186 -11.752 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.672 -9.468 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.143 -10.274 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.283 -7.774 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.527 -8.779 5.350 1.00 0.00 H new ATOM 901 N ASN A 55 0.743 -9.949 6.615 1.00 0.00 N ATOM 902 CA ASN A 55 1.957 -9.550 7.304 1.00 0.00 C ATOM 903 C ASN A 55 2.339 -8.136 6.859 1.00 0.00 C ATOM 904 O ASN A 55 3.520 -7.788 6.930 1.00 0.00 O ATOM 905 CB ASN A 55 3.100 -10.539 6.996 1.00 0.00 C ATOM 906 CG ASN A 55 2.749 -11.988 7.295 1.00 0.00 C ATOM 907 OD1 ASN A 55 2.015 -12.622 6.532 1.00 0.00 O ATOM 908 ND2 ASN A 55 3.270 -12.536 8.376 1.00 0.00 N ATOM 0 H ASN A 55 0.832 -9.847 5.604 1.00 0.00 H new ATOM 0 HA ASN A 55 1.785 -9.559 8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.373 -10.450 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.978 -10.259 7.578 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.070 -13.511 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.873 -11.985 8.987 1.00 0.00 H new ATOM 915 N VAL A 56 1.418 -7.340 6.290 1.00 0.00 N ATOM 916 CA VAL A 56 1.752 -6.012 5.817 1.00 0.00 C ATOM 917 C VAL A 56 2.094 -5.100 7.010 1.00 0.00 C ATOM 918 O VAL A 56 1.973 -5.479 8.184 1.00 0.00 O ATOM 919 CB VAL A 56 0.683 -5.505 4.820 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.998 -4.178 4.215 1.00 0.00 C ATOM 921 CG2 VAL A 56 0.425 -6.414 3.617 1.00 0.00 C ATOM 0 H VAL A 56 0.442 -7.604 6.153 1.00 0.00 H new ATOM 0 HA VAL A 56 2.665 -6.016 5.221 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.190 -5.466 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.201 -3.893 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.083 -3.430 5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.941 -4.241 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.340 -5.968 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.346 -6.533 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.084 -7.389 3.964 1.00 0.00 H new ATOM 931 N ASN A 57 2.690 -3.954 6.702 1.00 0.00 N ATOM 932 CA ASN A 57 2.963 -2.839 7.596 1.00 0.00 C ATOM 933 C ASN A 57 2.115 -1.638 7.187 1.00 0.00 C ATOM 934 O ASN A 57 1.664 -0.876 8.038 1.00 0.00 O ATOM 935 CB ASN A 57 4.454 -2.475 7.474 1.00 0.00 C ATOM 936 CG ASN A 57 4.975 -1.749 8.704 1.00 0.00 C ATOM 937 OD1 ASN A 57 4.793 -0.553 8.890 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.685 -2.464 9.562 1.00 0.00 N ATOM 0 H ASN A 57 3.017 -3.768 5.754 1.00 0.00 H new ATOM 0 HA ASN A 57 2.723 -3.114 8.623 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.036 -3.384 7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.601 -1.847 6.595 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.086 -2.019 10.387 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.831 -3.460 9.398 1.00 0.00 H new ATOM 945 N ALA A 58 1.863 -1.491 5.881 1.00 0.00 N ATOM 946 CA ALA A 58 1.417 -0.245 5.296 1.00 0.00 C ATOM 947 C ALA A 58 0.436 -0.438 4.151 1.00 0.00 C ATOM 948 O ALA A 58 0.403 -1.505 3.555 1.00 0.00 O ATOM 949 CB ALA A 58 2.661 0.442 4.748 1.00 0.00 C ATOM 0 H ALA A 58 1.967 -2.247 5.204 1.00 0.00 H new ATOM 0 HA ALA A 58 0.900 0.334 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.381 1.392 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.365 0.622 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.128 -0.196 3.998 1.00 0.00 H new ATOM 955 N ILE A 59 -0.303 0.587 3.751 1.00 0.00 N ATOM 956 CA ILE A 59 -0.993 0.615 2.473 1.00 0.00 C ATOM 957 C ILE A 59 -0.717 2.000 1.849 1.00 0.00 C ATOM 958 O ILE A 59 -1.107 3.003 2.437 1.00 0.00 O ATOM 959 CB ILE A 59 -2.505 0.390 2.680 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.830 -0.917 3.418 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.137 0.350 1.288 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.304 -1.064 3.824 1.00 0.00 C ATOM 0 H ILE A 59 -0.441 1.429 4.310 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.640 -0.177 1.813 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.896 1.196 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.555 -1.758 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.211 -0.979 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.212 0.192 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.952 1.295 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.699 -0.466 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.446 -2.014 4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.582 -0.246 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.931 -1.037 2.933 1.00 0.00 H new ATOM 974 N ILE A 60 -0.070 2.102 0.686 1.00 0.00 N ATOM 975 CA ILE A 60 -0.028 3.336 -0.109 1.00 0.00 C ATOM 976 C ILE A 60 -1.343 3.410 -0.902 1.00 0.00 C ATOM 977 O ILE A 60 -1.690 2.426 -1.572 1.00 0.00 O ATOM 978 CB ILE A 60 1.191 3.349 -1.076 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.513 3.089 -0.324 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.284 4.696 -1.826 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.794 3.104 -1.164 1.00 0.00 C ATOM 0 H ILE A 60 0.443 1.328 0.265 1.00 0.00 H new ATOM 0 HA ILE A 60 0.083 4.199 0.547 1.00 0.00 H new ATOM 0 HB ILE A 60 1.037 2.546 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.612 3.839 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.440 2.119 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.144 4.681 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.375 4.853 -2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.399 5.506 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.653 2.909 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.734 2.334 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.908 4.080 -1.636 1.00 0.00 H new ATOM 993 N CYS A 61 -2.039 4.554 -0.934 1.00 0.00 N ATOM 994 CA CYS A 61 -3.155 4.801 -1.854 1.00 0.00 C ATOM 995 C CYS A 61 -3.207 6.258 -2.325 1.00 0.00 C ATOM 996 O CYS A 61 -2.513 7.120 -1.791 1.00 0.00 O ATOM 997 CB CYS A 61 -4.492 4.339 -1.248 1.00 0.00 C ATOM 998 SG CYS A 61 -4.768 5.026 0.410 1.00 0.00 S ATOM 0 H CYS A 61 -1.841 5.341 -0.316 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.977 4.199 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.309 4.639 -1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.508 3.250 -1.196 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.653 4.308 1.035 1.00 0.00 H new ATOM 1004 N LYS A 62 -4.028 6.531 -3.346 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.317 7.884 -3.830 1.00 0.00 C ATOM 1006 C LYS A 62 -5.565 8.485 -3.190 1.00 0.00 C ATOM 1007 O LYS A 62 -5.649 9.709 -3.154 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.514 7.879 -5.352 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.286 8.340 -6.140 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.661 8.440 -7.622 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.569 9.167 -8.407 1.00 0.00 C ATOM 1012 NZ LYS A 62 -3.028 9.482 -9.772 1.00 0.00 N ATOM 0 H LYS A 62 -4.518 5.804 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.458 8.495 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.780 6.871 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.356 8.524 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.942 9.306 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.465 7.636 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.808 7.441 -8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.607 8.971 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.294 10.086 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.674 8.547 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.265 9.960 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.284 8.602 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.858 10.106 -9.724 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.533 7.676 -2.753 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.669 8.067 -1.923 1.00 0.00 C ATOM 1028 C ASN A 63 -8.222 6.797 -1.297 1.00 0.00 C ATOM 1029 O ASN A 63 -7.967 5.690 -1.781 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.752 8.814 -2.706 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.496 10.322 -2.659 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.391 10.936 -1.599 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.319 10.950 -3.802 1.00 0.00 N ATOM 0 H ASN A 63 -6.544 6.682 -2.981 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.334 8.770 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.763 8.472 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.733 8.591 -2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.095 11.945 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.406 10.442 -4.682 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.993 6.950 -0.233 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.625 5.884 0.540 1.00 0.00 C ATOM 1042 C ILE A 64 -10.918 6.436 1.168 1.00 0.00 C ATOM 1043 O ILE A 64 -10.886 7.483 1.811 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.609 5.289 1.546 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -9.278 4.212 2.423 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.910 6.356 2.401 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.290 3.382 3.246 1.00 0.00 C ATOM 0 H ILE A 64 -9.210 7.875 0.139 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.922 5.045 -0.089 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.823 4.818 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.984 4.695 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.855 3.544 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.211 5.874 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.367 7.044 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.655 6.909 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.836 2.646 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.599 2.870 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.730 4.038 3.912 1.00 0.00 H new ATOM 1059 N SER A 65 -12.055 5.757 0.978 1.00 0.00 N ATOM 1060 CA SER A 65 -13.333 6.100 1.609 1.00 0.00 C ATOM 1061 C SER A 65 -13.176 6.170 3.135 1.00 0.00 C ATOM 1062 O SER A 65 -12.418 5.373 3.686 1.00 0.00 O ATOM 1063 CB SER A 65 -14.335 4.991 1.276 1.00 0.00 C ATOM 1064 OG SER A 65 -14.397 4.687 -0.112 1.00 0.00 O ATOM 0 H SER A 65 -12.113 4.940 0.371 1.00 0.00 H new ATOM 0 HA SER A 65 -13.672 7.069 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.065 4.090 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.325 5.290 1.620 1.00 0.00 H new ATOM 0 HG SER A 65 -15.051 3.972 -0.261 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.930 7.024 3.834 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.764 7.235 5.272 1.00 0.00 C ATOM 1072 C GLU A 66 -14.019 5.953 6.059 1.00 0.00 C ATOM 1073 O GLU A 66 -13.292 5.659 7.012 1.00 0.00 O ATOM 1074 CB GLU A 66 -14.676 8.371 5.781 1.00 0.00 C ATOM 1075 CG GLU A 66 -14.194 8.912 7.145 1.00 0.00 C ATOM 1076 CD GLU A 66 -15.259 9.057 8.240 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -16.125 8.171 8.421 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -15.133 10.011 9.047 1.00 0.00 O ATOM 0 H GLU A 66 -14.672 7.587 3.418 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.728 7.530 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.692 9.181 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.698 8.005 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.411 8.251 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.737 9.888 6.982 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.019 5.174 5.632 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.351 3.925 6.296 1.00 0.00 C ATOM 1087 C GLU A 67 -14.173 2.957 6.158 1.00 0.00 C ATOM 1088 O GLU A 67 -13.675 2.462 7.165 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.648 3.332 5.725 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.372 2.535 6.822 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.462 1.579 6.323 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -19.023 1.732 5.209 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -18.769 0.617 7.057 1.00 0.00 O ATOM 0 H GLU A 67 -15.608 5.393 4.829 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.528 4.108 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.292 4.129 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.422 2.684 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.633 1.959 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.821 3.238 7.523 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.676 2.742 4.929 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.520 1.878 4.676 1.00 0.00 C ATOM 1102 C ASN A 68 -11.314 2.371 5.463 1.00 0.00 C ATOM 1103 O ASN A 68 -10.613 1.560 6.064 1.00 0.00 O ATOM 1104 CB ASN A 68 -12.151 1.793 3.178 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.728 0.573 2.464 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.807 -0.517 3.025 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -13.103 0.718 1.204 1.00 0.00 N ATOM 0 H ASN A 68 -14.066 3.163 4.086 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.802 0.877 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.502 2.695 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.065 1.777 3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.464 -0.082 0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.031 1.630 0.752 1.00 0.00 H new ATOM 1114 N TYR A 69 -11.074 3.684 5.490 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.959 4.248 6.225 1.00 0.00 C ATOM 1116 C TYR A 69 -10.032 3.833 7.689 1.00 0.00 C ATOM 1117 O TYR A 69 -9.121 3.174 8.192 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.912 5.767 6.071 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.745 6.320 6.847 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -7.465 6.300 6.276 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -8.923 6.798 8.156 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -6.356 6.764 6.995 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -7.817 7.232 8.900 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.517 7.199 8.331 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.455 7.698 9.022 1.00 0.00 O ATOM 0 H TYR A 69 -11.647 4.374 5.005 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.031 3.855 5.808 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.820 6.033 5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.842 6.208 6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.333 5.923 5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.912 6.831 8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.381 6.789 6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.954 7.592 9.909 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.897 8.235 8.421 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.130 4.170 8.369 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.296 3.845 9.783 1.00 0.00 C ATOM 1137 C LYS A 70 -11.374 2.336 9.999 1.00 0.00 C ATOM 1138 O LYS A 70 -11.188 1.864 11.124 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.558 4.518 10.325 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.356 6.031 10.388 1.00 0.00 C ATOM 1141 CD LYS A 70 -13.611 6.739 10.887 1.00 0.00 C ATOM 1142 CE LYS A 70 -13.435 8.242 10.681 1.00 0.00 C ATOM 1143 NZ LYS A 70 -12.498 8.898 11.620 1.00 0.00 N ATOM 0 H LYS A 70 -11.919 4.670 7.959 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.425 4.217 10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.409 4.283 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.789 4.132 11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.520 6.261 11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.094 6.406 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.487 6.383 10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.776 6.518 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.086 8.415 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.410 8.722 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.444 9.914 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.837 8.769 12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.554 8.472 11.523 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.705 1.556 8.969 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.740 0.111 9.043 1.00 0.00 C ATOM 1159 C LYS A 71 -10.348 -0.491 9.030 1.00 0.00 C ATOM 1160 O LYS A 71 -10.151 -1.526 9.670 1.00 0.00 O ATOM 1161 CB LYS A 71 -12.533 -0.443 7.851 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.917 -1.915 8.019 1.00 0.00 C ATOM 1163 CD LYS A 71 -13.608 -2.209 9.359 1.00 0.00 C ATOM 1164 CE LYS A 71 -14.788 -1.252 9.585 1.00 0.00 C ATOM 1165 NZ LYS A 71 -15.508 -1.473 10.856 1.00 0.00 N ATOM 0 H LYS A 71 -11.958 1.924 8.052 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.219 -0.160 9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.438 0.150 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.940 -0.329 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.579 -2.207 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.021 -2.530 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.962 -3.240 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.891 -2.108 10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.420 -0.226 9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.491 -1.357 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.289 -0.790 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.890 -2.440 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.853 -1.344 11.653 1.00 0.00 H new ATOM 1179 N PHE A 72 -9.418 0.100 8.284 1.00 0.00 N ATOM 1180 CA PHE A 72 -8.094 -0.456 8.055 1.00 0.00 C ATOM 1181 C PHE A 72 -7.046 0.178 8.969 1.00 0.00 C ATOM 1182 O PHE A 72 -5.988 -0.407 9.175 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.742 -0.326 6.563 1.00 0.00 C ATOM 1184 CG PHE A 72 -8.306 -1.481 5.752 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -7.640 -2.709 5.812 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -9.495 -1.394 5.004 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -8.120 -3.831 5.138 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -9.975 -2.512 4.299 1.00 0.00 C ATOM 1189 CZ PHE A 72 -9.276 -3.732 4.348 1.00 0.00 C ATOM 0 H PHE A 72 -9.569 0.993 7.815 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.099 -1.515 8.312 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.133 0.615 6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.659 -0.293 6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.734 -2.790 6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -10.042 -0.463 4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.603 -4.775 5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.882 -2.434 3.719 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.625 -4.584 3.783 1.00 0.00 H new ATOM 1199 N SER A 73 -7.336 1.326 9.580 1.00 0.00 N ATOM 1200 CA SER A 73 -6.386 2.101 10.382 1.00 0.00 C ATOM 1201 C SER A 73 -5.846 1.364 11.621 1.00 0.00 C ATOM 1202 O SER A 73 -4.802 1.739 12.160 1.00 0.00 O ATOM 1203 CB SER A 73 -7.045 3.445 10.724 1.00 0.00 C ATOM 1204 OG SER A 73 -8.299 3.251 11.356 1.00 0.00 O ATOM 0 H SER A 73 -8.260 1.755 9.531 1.00 0.00 H new ATOM 0 HA SER A 73 -5.487 2.265 9.788 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.389 4.019 11.378 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.179 4.030 9.814 1.00 0.00 H new ATOM 0 HG SER A 73 -8.624 4.106 11.707 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.497 0.289 12.075 1.00 0.00 N ATOM 1211 CA LYS A 74 -5.999 -0.539 13.166 1.00 0.00 C ATOM 1212 C LYS A 74 -4.802 -1.350 12.687 1.00 0.00 C ATOM 1213 O LYS A 74 -4.971 -2.352 11.983 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.097 -1.470 13.691 1.00 0.00 C ATOM 1215 CG LYS A 74 -8.163 -0.732 14.514 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.046 -1.076 16.000 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.508 -2.507 16.304 1.00 0.00 C ATOM 1218 NZ LYS A 74 -8.288 -2.876 17.717 1.00 0.00 N ATOM 0 H LYS A 74 -7.387 -0.029 11.692 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.689 0.111 13.985 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.576 -1.969 12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.644 -2.247 14.306 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.053 0.344 14.377 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.156 -1.000 14.153 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.010 -0.955 16.318 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.642 -0.373 16.582 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.567 -2.603 16.066 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.972 -3.204 15.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.615 -3.850 17.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.274 -2.810 17.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.820 -2.228 18.332 1.00 0.00 H new ATOM 1232 N LYS A 75 -3.612 -0.960 13.142 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.360 -1.718 13.050 1.00 0.00 C ATOM 1234 C LYS A 75 -1.794 -1.717 11.629 1.00 0.00 C ATOM 1235 O LYS A 75 -1.017 -2.601 11.257 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.558 -3.114 13.649 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.300 -3.623 14.369 1.00 0.00 C ATOM 1238 CD LYS A 75 -1.563 -4.938 15.112 1.00 0.00 C ATOM 1239 CE LYS A 75 -0.371 -5.296 16.005 1.00 0.00 C ATOM 1240 NZ LYS A 75 0.435 -6.437 15.524 1.00 0.00 N ATOM 0 H LYS A 75 -3.486 -0.062 13.609 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.592 -1.225 13.646 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.391 -3.091 14.351 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.828 -3.812 12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.500 -3.769 13.643 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.955 -2.868 15.076 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.465 -4.846 15.718 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.741 -5.739 14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.275 -4.423 16.094 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.738 -5.523 17.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.219 -6.611 16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.164 -7.285 15.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.818 -6.219 14.582 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.206 -0.740 10.827 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.732 -0.500 9.467 1.00 0.00 C ATOM 1256 C ILE A 76 -1.437 1.003 9.332 1.00 0.00 C ATOM 1257 O ILE A 76 -2.160 1.846 9.878 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.780 -0.993 8.429 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -3.289 -2.431 8.730 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -2.170 -0.922 7.022 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -4.117 -3.177 7.663 1.00 0.00 C ATOM 0 H ILE A 76 -2.911 -0.063 11.120 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.819 -1.061 9.268 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.648 -0.337 8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.418 -3.046 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.891 -2.382 9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.901 -1.267 6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.890 0.107 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.285 -1.556 6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.389 -4.164 8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.022 -2.611 7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.526 -3.284 6.753 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.395 1.343 8.572 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.015 2.708 8.238 1.00 0.00 C ATOM 1275 C GLU A 77 -0.457 3.022 6.812 1.00 0.00 C ATOM 1276 O GLU A 77 0.062 2.453 5.860 1.00 0.00 O ATOM 1277 CB GLU A 77 1.473 2.931 8.543 1.00 0.00 C ATOM 1278 CG GLU A 77 1.644 2.850 10.074 1.00 0.00 C ATOM 1279 CD GLU A 77 3.040 3.132 10.626 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.703 4.063 10.125 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.379 2.534 11.679 1.00 0.00 O ATOM 0 H GLU A 77 0.227 0.648 8.160 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.533 3.434 8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.084 2.177 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.800 3.902 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.949 3.554 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.346 1.853 10.397 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.477 3.870 6.656 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.044 4.220 5.356 1.00 0.00 C ATOM 1290 C ILE A 78 -1.346 5.491 4.868 1.00 0.00 C ATOM 1291 O ILE A 78 -1.452 6.538 5.514 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.586 4.332 5.465 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.206 2.996 5.955 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.243 4.746 4.135 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.000 3.174 7.250 1.00 0.00 C ATOM 0 H ILE A 78 -1.936 4.337 7.439 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.868 3.447 4.608 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.785 5.116 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.860 2.594 5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.413 2.265 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.323 4.810 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.857 5.717 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.014 4.004 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.416 2.214 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.341 3.550 8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.810 3.885 7.085 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.593 5.394 3.770 1.00 0.00 N ATOM 1308 CA TYR A 79 0.184 6.484 3.200 1.00 0.00 C ATOM 1309 C TYR A 79 -0.491 7.004 1.936 1.00 0.00 C ATOM 1310 O TYR A 79 -1.110 6.239 1.192 1.00 0.00 O ATOM 1311 CB TYR A 79 1.585 5.983 2.866 1.00 0.00 C ATOM 1312 CG TYR A 79 2.488 5.714 4.055 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.326 4.568 4.855 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.556 6.584 4.309 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.296 4.234 5.817 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.549 6.255 5.244 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.432 5.057 5.981 1.00 0.00 C ATOM 1318 OH TYR A 79 5.415 4.683 6.835 1.00 0.00 O ATOM 0 H TYR A 79 -0.508 4.526 3.241 1.00 0.00 H new ATOM 0 HA TYR A 79 0.248 7.296 3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.494 5.064 2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.070 6.718 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.454 3.943 4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.616 7.522 3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.173 3.352 6.428 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.393 6.911 5.398 1.00 0.00 H new ATOM 0 HH TYR A 79 6.126 5.358 6.831 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.322 8.294 1.665 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.731 8.908 0.419 1.00 0.00 C ATOM 1330 C HIS A 80 0.362 8.671 -0.612 1.00 0.00 C ATOM 1331 O HIS A 80 1.545 8.663 -0.270 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.941 10.418 0.617 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.901 11.035 -0.372 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.830 12.320 -0.849 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -3.033 10.472 -0.896 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.907 12.550 -1.612 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.654 11.437 -1.699 1.00 0.00 N ATOM 0 H HIS A 80 0.110 8.947 2.319 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.670 8.471 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.311 10.594 1.627 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.022 10.923 0.538 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.384 9.466 -0.722 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.140 13.491 -2.087 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.508 11.318 -2.244 1.00 0.00 H new ATOM 1345 N ALA A 81 -0.029 8.526 -1.874 1.00 0.00 N ATOM 1346 CA ALA A 81 0.893 8.622 -2.986 1.00 0.00 C ATOM 1347 C ALA A 81 1.250 10.095 -3.245 1.00 0.00 C ATOM 1348 O ALA A 81 0.563 11.017 -2.787 1.00 0.00 O ATOM 1349 CB ALA A 81 0.259 7.980 -4.227 1.00 0.00 C ATOM 0 H ALA A 81 -0.994 8.339 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 81 1.814 8.089 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.951 8.050 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.041 6.932 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.666 8.501 -4.474 1.00 0.00 H new ATOM 1355 N GLU A 82 2.269 10.306 -4.070 1.00 0.00 N ATOM 1356 CA GLU A 82 2.733 11.582 -4.594 1.00 0.00 C ATOM 1357 C GLU A 82 2.577 11.679 -6.113 1.00 0.00 C ATOM 1358 O GLU A 82 3.016 12.649 -6.736 1.00 0.00 O ATOM 1359 CB GLU A 82 4.196 11.764 -4.162 1.00 0.00 C ATOM 1360 CG GLU A 82 4.273 12.544 -2.853 1.00 0.00 C ATOM 1361 CD GLU A 82 3.749 13.974 -3.038 1.00 0.00 C ATOM 1362 OE1 GLU A 82 4.204 14.684 -3.960 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.814 14.375 -2.304 1.00 0.00 O ATOM 0 H GLU A 82 2.834 9.530 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 82 2.119 12.385 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.669 10.790 -4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.748 12.292 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.689 12.035 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.304 12.573 -2.502 1.00 0.00 H new ATOM 1370 N GLY A 83 1.953 10.693 -6.748 1.00 0.00 N ATOM 1371 CA GLY A 83 1.861 10.602 -8.192 1.00 0.00 C ATOM 1372 C GLY A 83 1.332 9.241 -8.583 1.00 0.00 C ATOM 1373 O GLY A 83 0.818 8.494 -7.751 1.00 0.00 O ATOM 0 H GLY A 83 1.491 9.925 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.203 11.382 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.841 10.764 -8.640 1.00 0.00 H new ATOM 1377 N ASP A 84 1.413 8.964 -9.875 1.00 0.00 N ATOM 1378 CA ASP A 84 1.104 7.669 -10.462 1.00 0.00 C ATOM 1379 C ASP A 84 2.365 6.798 -10.504 1.00 0.00 C ATOM 1380 O ASP A 84 2.244 5.591 -10.700 1.00 0.00 O ATOM 1381 CB ASP A 84 0.502 7.880 -11.862 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.874 8.546 -11.803 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.951 9.779 -11.583 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.897 7.831 -11.875 1.00 0.00 O ATOM 0 H ASP A 84 1.705 9.656 -10.566 1.00 0.00 H new ATOM 0 HA ASP A 84 0.369 7.144 -9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.177 8.495 -12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.417 6.918 -12.368 1.00 0.00 H new ATOM 1389 N ASP A 85 3.548 7.400 -10.302 1.00 0.00 N ATOM 1390 CA ASP A 85 4.853 6.740 -10.420 1.00 0.00 C ATOM 1391 C ASP A 85 5.051 5.783 -9.251 1.00 0.00 C ATOM 1392 O ASP A 85 5.417 6.194 -8.145 1.00 0.00 O ATOM 1393 CB ASP A 85 6.005 7.754 -10.433 1.00 0.00 C ATOM 1394 CG ASP A 85 7.315 7.195 -10.967 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.703 6.101 -10.536 1.00 0.00 O ATOM 1396 OD2 ASP A 85 8.004 7.908 -11.742 1.00 0.00 O ATOM 0 H ASP A 85 3.622 8.384 -10.046 1.00 0.00 H new ATOM 0 HA ASP A 85 4.863 6.197 -11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.714 8.612 -11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.165 8.120 -9.419 1.00 0.00 H new ATOM 1401 N VAL A 86 4.813 4.498 -9.473 1.00 0.00 N ATOM 1402 CA VAL A 86 5.072 3.474 -8.474 1.00 0.00 C ATOM 1403 C VAL A 86 6.511 3.587 -7.974 1.00 0.00 C ATOM 1404 O VAL A 86 6.722 3.489 -6.769 1.00 0.00 O ATOM 1405 CB VAL A 86 4.762 2.084 -9.064 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.315 0.926 -8.222 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.250 1.900 -9.229 1.00 0.00 C ATOM 0 H VAL A 86 4.436 4.138 -10.349 1.00 0.00 H new ATOM 0 HA VAL A 86 4.419 3.617 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 86 5.262 2.052 -10.032 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.060 -0.022 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.399 1.015 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.879 0.962 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.047 0.914 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.764 1.990 -8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.861 2.665 -9.901 1.00 0.00 H new ATOM 1417 N ASP A 87 7.485 3.817 -8.851 1.00 0.00 N ATOM 1418 CA ASP A 87 8.901 3.776 -8.518 1.00 0.00 C ATOM 1419 C ASP A 87 9.278 4.980 -7.654 1.00 0.00 C ATOM 1420 O ASP A 87 10.055 4.846 -6.704 1.00 0.00 O ATOM 1421 CB ASP A 87 9.776 3.736 -9.783 1.00 0.00 C ATOM 1422 CG ASP A 87 9.655 2.462 -10.620 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.552 1.882 -10.750 1.00 0.00 O ATOM 1424 OD2 ASP A 87 10.680 2.056 -11.216 1.00 0.00 O ATOM 0 H ASP A 87 7.306 4.041 -9.830 1.00 0.00 H new ATOM 0 HA ASP A 87 9.084 2.861 -7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.518 4.589 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.818 3.860 -9.488 1.00 0.00 H new ATOM 1429 N LYS A 88 8.718 6.167 -7.927 1.00 0.00 N ATOM 1430 CA LYS A 88 8.848 7.303 -7.009 1.00 0.00 C ATOM 1431 C LYS A 88 8.311 6.910 -5.645 1.00 0.00 C ATOM 1432 O LYS A 88 8.961 7.120 -4.629 1.00 0.00 O ATOM 1433 CB LYS A 88 8.084 8.521 -7.555 1.00 0.00 C ATOM 1434 CG LYS A 88 8.290 9.840 -6.781 1.00 0.00 C ATOM 1435 CD LYS A 88 9.760 10.235 -6.586 1.00 0.00 C ATOM 1436 CE LYS A 88 9.972 11.757 -6.537 1.00 0.00 C ATOM 1437 NZ LYS A 88 9.564 12.372 -5.260 1.00 0.00 N ATOM 0 H LYS A 88 8.176 6.363 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 88 9.900 7.574 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.381 8.679 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.019 8.287 -7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.778 10.643 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.817 9.751 -5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.130 9.792 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.354 9.817 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.025 11.974 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.410 12.219 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.151 13.211 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.564 12.654 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.689 11.686 -4.489 1.00 0.00 H new ATOM 1451 N ASN A 89 7.107 6.359 -5.623 1.00 0.00 N ATOM 1452 CA ASN A 89 6.366 6.162 -4.391 1.00 0.00 C ATOM 1453 C ASN A 89 6.966 5.031 -3.553 1.00 0.00 C ATOM 1454 O ASN A 89 6.960 5.115 -2.331 1.00 0.00 O ATOM 1455 CB ASN A 89 4.895 5.954 -4.754 1.00 0.00 C ATOM 1456 CG ASN A 89 4.254 7.311 -5.008 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.790 7.961 -4.086 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.290 7.814 -6.228 1.00 0.00 N ATOM 0 H ASN A 89 6.618 6.037 -6.458 1.00 0.00 H new ATOM 0 HA ASN A 89 6.436 7.041 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.811 5.325 -5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.377 5.437 -3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.929 8.751 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.679 7.265 -6.995 1.00 0.00 H new ATOM 1465 N ILE A 90 7.551 4.008 -4.180 1.00 0.00 N ATOM 1466 CA ILE A 90 8.309 2.951 -3.523 1.00 0.00 C ATOM 1467 C ILE A 90 9.530 3.589 -2.852 1.00 0.00 C ATOM 1468 O ILE A 90 9.749 3.371 -1.663 1.00 0.00 O ATOM 1469 CB ILE A 90 8.691 1.843 -4.544 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.480 0.951 -4.913 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.815 0.933 -4.012 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.775 -0.083 -6.007 1.00 0.00 C ATOM 0 H ILE A 90 7.506 3.893 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 90 7.711 2.460 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 90 9.038 2.371 -5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.140 0.430 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.660 1.589 -5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.051 0.173 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.703 1.532 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.487 0.450 -3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.877 -0.667 -6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.085 0.429 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.573 -0.747 -5.674 1.00 0.00 H new ATOM 1484 N SER A 91 10.349 4.330 -3.600 1.00 0.00 N ATOM 1485 CA SER A 91 11.605 4.835 -3.065 1.00 0.00 C ATOM 1486 C SER A 91 11.360 5.871 -1.957 1.00 0.00 C ATOM 1487 O SER A 91 12.052 5.851 -0.940 1.00 0.00 O ATOM 1488 CB SER A 91 12.491 5.323 -4.215 1.00 0.00 C ATOM 1489 OG SER A 91 11.812 6.250 -5.045 1.00 0.00 O ATOM 0 H SER A 91 10.164 4.590 -4.569 1.00 0.00 H new ATOM 0 HA SER A 91 12.156 4.034 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.390 5.788 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.815 4.470 -4.812 1.00 0.00 H new ATOM 0 HG SER A 91 11.253 5.765 -5.687 1.00 0.00 H new ATOM 1495 N LEU A 92 10.322 6.708 -2.087 1.00 0.00 N ATOM 1496 CA LEU A 92 9.913 7.647 -1.042 1.00 0.00 C ATOM 1497 C LEU A 92 9.445 6.907 0.214 1.00 0.00 C ATOM 1498 O LEU A 92 9.734 7.328 1.336 1.00 0.00 O ATOM 1499 CB LEU A 92 8.772 8.546 -1.546 1.00 0.00 C ATOM 1500 CG LEU A 92 9.133 9.634 -2.570 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.825 10.332 -2.961 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.125 10.659 -2.015 1.00 0.00 C ATOM 0 H LEU A 92 9.742 6.750 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 92 10.781 8.257 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.008 7.906 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.319 9.032 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 92 9.621 9.171 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.034 11.115 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.141 9.604 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.369 10.773 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.345 11.404 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.691 11.150 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.046 10.154 -1.725 1.00 0.00 H new ATOM 1514 N PHE A 93 8.701 5.810 0.044 1.00 0.00 N ATOM 1515 CA PHE A 93 8.199 4.999 1.148 1.00 0.00 C ATOM 1516 C PHE A 93 9.326 4.355 1.950 1.00 0.00 C ATOM 1517 O PHE A 93 9.187 4.199 3.165 1.00 0.00 O ATOM 1518 CB PHE A 93 7.281 3.919 0.580 1.00 0.00 C ATOM 1519 CG PHE A 93 6.951 2.777 1.515 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.177 3.001 2.663 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.433 1.486 1.238 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.820 1.926 3.492 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.028 0.401 2.032 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.209 0.621 3.151 1.00 0.00 C ATOM 0 H PHE A 93 8.430 5.460 -0.875 1.00 0.00 H new ATOM 0 HA PHE A 93 7.653 5.649 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.348 4.389 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.746 3.507 -0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.855 4.002 2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.114 1.329 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.247 2.103 4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.346 -0.601 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.878 -0.215 3.750 1.00 0.00 H new ATOM 1534 N ILE A 94 10.421 3.976 1.292 1.00 0.00 N ATOM 1535 CA ILE A 94 11.570 3.375 1.967 1.00 0.00 C ATOM 1536 C ILE A 94 12.107 4.357 3.020 1.00 0.00 C ATOM 1537 O ILE A 94 12.372 3.945 4.148 1.00 0.00 O ATOM 1538 CB ILE A 94 12.658 2.964 0.948 1.00 0.00 C ATOM 1539 CG1 ILE A 94 12.174 1.794 0.065 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.977 2.537 1.624 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.956 1.690 -1.250 1.00 0.00 C ATOM 0 H ILE A 94 10.536 4.076 0.283 1.00 0.00 H new ATOM 0 HA ILE A 94 11.259 2.462 2.474 1.00 0.00 H new ATOM 0 HB ILE A 94 12.845 3.851 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.273 0.860 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.114 1.923 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.704 2.259 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.369 3.366 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.792 1.684 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.576 0.851 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.836 2.612 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.013 1.533 -1.033 1.00 0.00 H new ATOM 1553 N GLU A 95 12.253 5.635 2.657 1.00 0.00 N ATOM 1554 CA GLU A 95 12.671 6.706 3.564 1.00 0.00 C ATOM 1555 C GLU A 95 11.550 7.116 4.531 1.00 0.00 C ATOM 1556 O GLU A 95 11.821 7.724 5.568 1.00 0.00 O ATOM 1557 CB GLU A 95 13.132 7.918 2.729 1.00 0.00 C ATOM 1558 CG GLU A 95 14.641 7.868 2.439 1.00 0.00 C ATOM 1559 CD GLU A 95 15.443 8.749 3.404 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.672 8.325 4.566 1.00 0.00 O ATOM 1561 OE2 GLU A 95 15.863 9.867 3.011 1.00 0.00 O ATOM 0 H GLU A 95 12.080 5.959 1.705 1.00 0.00 H new ATOM 0 HA GLU A 95 13.495 6.336 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.581 7.943 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.894 8.839 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.990 6.838 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.824 8.193 1.415 1.00 0.00 H new ATOM 1568 N GLY A 96 10.295 6.783 4.227 1.00 0.00 N ATOM 1569 CA GLY A 96 9.140 7.210 5.004 1.00 0.00 C ATOM 1570 C GLY A 96 8.723 8.644 4.679 1.00 0.00 C ATOM 1571 O GLY A 96 7.958 9.233 5.438 1.00 0.00 O ATOM 0 H GLY A 96 10.053 6.202 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.305 6.538 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.370 7.132 6.067 1.00 0.00 H new ATOM 1575 N GLU A 97 9.222 9.221 3.583 1.00 0.00 N ATOM 1576 CA GLU A 97 8.962 10.576 3.120 1.00 0.00 C ATOM 1577 C GLU A 97 7.509 10.776 2.668 1.00 0.00 C ATOM 1578 O GLU A 97 7.020 11.903 2.589 1.00 0.00 O ATOM 1579 CB GLU A 97 9.938 10.828 1.959 1.00 0.00 C ATOM 1580 CG GLU A 97 10.717 12.137 2.075 1.00 0.00 C ATOM 1581 CD GLU A 97 9.999 13.313 1.410 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.141 13.963 2.046 1.00 0.00 O ATOM 1583 OE2 GLU A 97 10.289 13.629 0.233 1.00 0.00 O ATOM 0 H GLU A 97 9.856 8.720 2.961 1.00 0.00 H new ATOM 0 HA GLU A 97 9.110 11.285 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.645 10.000 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.380 10.831 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.881 12.365 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.699 12.012 1.619 1.00 0.00 H new ATOM 1590 N LEU A 98 6.793 9.691 2.356 1.00 0.00 N ATOM 1591 CA LEU A 98 5.377 9.777 2.026 1.00 0.00 C ATOM 1592 C LEU A 98 4.591 10.196 3.263 1.00 0.00 C ATOM 1593 O LEU A 98 4.822 9.724 4.383 1.00 0.00 O ATOM 1594 CB LEU A 98 4.832 8.450 1.479 1.00 0.00 C ATOM 1595 CG LEU A 98 5.301 8.053 0.071 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.597 6.750 -0.318 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.008 9.120 -0.988 1.00 0.00 C ATOM 0 H LEU A 98 7.175 8.746 2.327 1.00 0.00 H new ATOM 0 HA LEU A 98 5.260 10.524 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.111 7.654 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.743 8.502 1.475 1.00 0.00 H new ATOM 0 HG LEU A 98 6.384 7.935 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.915 6.448 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.856 5.969 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.518 6.904 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.364 8.776 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.934 9.298 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.517 10.046 -0.722 1.00 0.00 H new ATOM 1609 N SER A 99 3.602 11.048 3.024 1.00 0.00 N ATOM 1610 CA SER A 99 2.635 11.461 4.014 1.00 0.00 C ATOM 1611 C SER A 99 1.804 10.263 4.440 1.00 0.00 C ATOM 1612 O SER A 99 1.189 9.597 3.609 1.00 0.00 O ATOM 1613 CB SER A 99 1.748 12.528 3.379 1.00 0.00 C ATOM 1614 OG SER A 99 2.460 13.746 3.334 1.00 0.00 O ATOM 0 H SER A 99 3.453 11.478 2.111 1.00 0.00 H new ATOM 0 HA SER A 99 3.129 11.865 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.455 12.225 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.831 12.648 3.956 1.00 0.00 H new ATOM 0 HG SER A 99 1.899 14.438 2.926 1.00 0.00 H new ATOM 1620 N LYS A 100 1.757 10.001 5.742 1.00 0.00 N ATOM 1621 CA LYS A 100 0.772 9.100 6.319 1.00 0.00 C ATOM 1622 C LYS A 100 -0.520 9.879 6.485 1.00 0.00 C ATOM 1623 O LYS A 100 -0.492 10.953 7.080 1.00 0.00 O ATOM 1624 CB LYS A 100 1.256 8.567 7.657 1.00 0.00 C ATOM 1625 CG LYS A 100 2.482 7.664 7.511 1.00 0.00 C ATOM 1626 CD LYS A 100 3.102 7.264 8.854 1.00 0.00 C ATOM 1627 CE LYS A 100 2.153 6.534 9.818 1.00 0.00 C ATOM 1628 NZ LYS A 100 1.162 7.413 10.478 1.00 0.00 N ATOM 0 H LYS A 100 2.399 10.407 6.423 1.00 0.00 H new ATOM 0 HA LYS A 100 0.613 8.241 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.499 9.403 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.451 8.009 8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.199 6.763 6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.233 8.177 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.964 6.624 8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.475 8.162 9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.623 5.757 9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.746 6.035 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.138 7.206 11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.429 8.408 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.221 7.244 10.068 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.627 9.375 5.965 1.00 0.00 N ATOM 1643 CA ILE A 101 -2.852 10.152 5.865 1.00 0.00 C ATOM 1644 C ILE A 101 -3.490 10.287 7.251 1.00 0.00 C ATOM 1645 O ILE A 101 -3.492 9.319 8.026 1.00 0.00 O ATOM 1646 CB ILE A 101 -3.772 9.477 4.834 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.155 9.538 3.422 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.145 10.149 4.790 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -3.676 8.414 2.530 1.00 0.00 C ATOM 0 H ILE A 101 -1.702 8.424 5.603 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.655 11.166 5.518 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.886 8.438 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.385 10.501 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.070 9.471 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.772 9.649 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.615 10.081 5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.028 11.198 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.218 8.491 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.423 7.451 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -4.759 8.497 2.435 1.00 0.00 H new