USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 47 SER OG : rot -12:sc= 0.15 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 1.13 K(o=1.3,f=-4.1!) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= -0.0272 (180deg=-0.207) USER MOD Single : A 20 HIS : no HD1:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00224 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.19 K(o=1.2,f=-0.15) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 13:sc= 0.993 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0625 USER MOD Single : A 48 SER OG : rot 180:sc= -1.07 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= 0.26 (180deg=0.0669) USER MOD Single : A 55 SER OG : rot -25:sc= 0.136 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0238) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 51:sc= 1.22 USER MOD Single : A 68 THR OG1 : rot 78:sc= 0.992 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0971 X(o=-0.097,f=-0.097) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 0.0463 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -61:sc= 0.309 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 18.276 -11.938 -3.666 1.00 0.00 N ATOM 2 CA LYS A 15 18.578 -10.621 -4.272 1.00 0.00 C ATOM 3 C LYS A 15 18.771 -9.574 -3.185 1.00 0.00 C ATOM 4 O LYS A 15 18.164 -9.662 -2.117 1.00 0.00 O ATOM 5 CB LYS A 15 17.445 -10.183 -5.204 1.00 0.00 C ATOM 6 CG LYS A 15 17.253 -11.081 -6.414 1.00 0.00 C ATOM 7 CD LYS A 15 16.130 -10.572 -7.303 1.00 0.00 C ATOM 8 CE LYS A 15 15.975 -11.420 -8.558 1.00 0.00 C ATOM 9 NZ LYS A 15 17.180 -11.363 -9.428 1.00 0.00 N ATOM 0 HA LYS A 15 19.497 -10.716 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.515 -10.152 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.643 -9.168 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.180 -11.129 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.029 -12.096 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.194 -10.575 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.330 -9.538 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.783 -12.455 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.106 -11.078 -9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.960 -11.781 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.469 -10.372 -9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.955 -11.895 -8.983 1.00 0.00 H new ATOM 25 N PRO A 16 19.623 -8.576 -3.440 1.00 0.00 N ATOM 26 CA PRO A 16 19.864 -7.484 -2.497 1.00 0.00 C ATOM 27 C PRO A 16 18.688 -6.512 -2.441 1.00 0.00 C ATOM 28 O PRO A 16 17.854 -6.473 -3.349 1.00 0.00 O ATOM 29 CB PRO A 16 21.105 -6.799 -3.069 1.00 0.00 C ATOM 30 CG PRO A 16 21.035 -7.065 -4.529 1.00 0.00 C ATOM 31 CD PRO A 16 20.428 -8.434 -4.667 1.00 0.00 C ATOM 0 HA PRO A 16 19.992 -7.836 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 16 21.100 -5.729 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 16 22.019 -7.205 -2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 16 20.427 -6.315 -5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 16 22.026 -7.029 -4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 16 19.812 -8.512 -5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 16 21.193 -9.207 -4.738 1.00 0.00 H new ATOM 39 N GLU A 17 18.641 -5.714 -1.389 1.00 0.00 N ATOM 40 CA GLU A 17 17.536 -4.789 -1.162 1.00 0.00 C ATOM 41 C GLU A 17 17.833 -3.422 -1.771 1.00 0.00 C ATOM 42 O GLU A 17 17.215 -2.418 -1.414 1.00 0.00 O ATOM 43 CB GLU A 17 17.244 -4.652 0.342 1.00 0.00 C ATOM 44 CG GLU A 17 18.420 -4.150 1.178 1.00 0.00 C ATOM 45 CD GLU A 17 19.522 -5.179 1.338 1.00 0.00 C ATOM 46 OE1 GLU A 17 19.452 -5.991 2.283 1.00 0.00 O ATOM 47 OE2 GLU A 17 20.458 -5.191 0.512 1.00 0.00 O ATOM 0 H GLU A 17 19.363 -5.686 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 17 16.652 -5.196 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 17 16.404 -3.970 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.930 -5.622 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 17 18.832 -3.255 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.058 -3.858 2.164 1.00 0.00 H new ATOM 54 N VAL A 18 18.762 -3.400 -2.714 1.00 0.00 N ATOM 55 CA VAL A 18 19.174 -2.160 -3.358 1.00 0.00 C ATOM 56 C VAL A 18 18.193 -1.770 -4.463 1.00 0.00 C ATOM 57 O VAL A 18 18.140 -0.616 -4.885 1.00 0.00 O ATOM 58 CB VAL A 18 20.601 -2.283 -3.940 1.00 0.00 C ATOM 59 CG1 VAL A 18 21.099 -0.945 -4.468 1.00 0.00 C ATOM 60 CG2 VAL A 18 21.557 -2.827 -2.890 1.00 0.00 C ATOM 0 H VAL A 18 19.248 -4.231 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 18 19.176 -1.379 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 18 20.563 -2.981 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.105 -1.064 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 18 20.432 -0.594 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.117 -0.218 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 18 22.557 -2.908 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 18 21.580 -2.152 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 18 21.220 -3.812 -2.566 1.00 0.00 H new ATOM 70 N GLU A 19 17.410 -2.736 -4.929 1.00 0.00 N ATOM 71 CA GLU A 19 16.421 -2.472 -5.967 1.00 0.00 C ATOM 72 C GLU A 19 15.232 -1.717 -5.394 1.00 0.00 C ATOM 73 O GLU A 19 14.662 -0.847 -6.047 1.00 0.00 O ATOM 74 CB GLU A 19 15.944 -3.772 -6.608 1.00 0.00 C ATOM 75 CG GLU A 19 17.003 -4.473 -7.436 1.00 0.00 C ATOM 76 CD GLU A 19 16.479 -5.739 -8.074 1.00 0.00 C ATOM 77 OE1 GLU A 19 16.781 -6.835 -7.559 1.00 0.00 O ATOM 78 OE2 GLU A 19 15.756 -5.647 -9.088 1.00 0.00 O ATOM 0 H GLU A 19 17.440 -3.703 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 19 16.897 -1.858 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.603 -4.448 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.083 -3.559 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.361 -3.797 -8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.857 -4.713 -6.803 1.00 0.00 H new ATOM 85 N HIS A 20 14.858 -2.064 -4.172 1.00 0.00 N ATOM 86 CA HIS A 20 13.765 -1.394 -3.485 1.00 0.00 C ATOM 87 C HIS A 20 14.269 -0.814 -2.173 1.00 0.00 C ATOM 88 O HIS A 20 14.219 -1.474 -1.133 1.00 0.00 O ATOM 89 CB HIS A 20 12.607 -2.366 -3.217 1.00 0.00 C ATOM 90 CG HIS A 20 12.028 -2.988 -4.453 1.00 0.00 C ATOM 91 ND1 HIS A 20 12.485 -4.176 -4.985 1.00 0.00 N ATOM 92 CD2 HIS A 20 11.018 -2.585 -5.257 1.00 0.00 C ATOM 93 CE1 HIS A 20 11.780 -4.473 -6.061 1.00 0.00 C ATOM 94 NE2 HIS A 20 10.884 -3.525 -6.247 1.00 0.00 N ATOM 0 H HIS A 20 15.298 -2.810 -3.633 1.00 0.00 H new ATOM 0 HA HIS A 20 13.394 -0.591 -4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.958 -3.158 -2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.817 -1.835 -2.687 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.426 -1.689 -5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.915 -5.345 -6.683 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.201 -3.495 -7.004 1.00 0.00 H new ATOM 103 N THR A 21 14.776 0.408 -2.230 1.00 0.00 N ATOM 104 CA THR A 21 15.373 1.044 -1.063 1.00 0.00 C ATOM 105 C THR A 21 14.312 1.449 -0.041 1.00 0.00 C ATOM 106 O THR A 21 13.109 1.376 -0.315 1.00 0.00 O ATOM 107 CB THR A 21 16.199 2.280 -1.471 1.00 0.00 C ATOM 108 OG1 THR A 21 15.379 3.207 -2.195 1.00 0.00 O ATOM 109 CG2 THR A 21 17.387 1.875 -2.329 1.00 0.00 C ATOM 0 H THR A 21 14.786 0.981 -3.074 1.00 0.00 H new ATOM 0 HA THR A 21 16.034 0.311 -0.601 1.00 0.00 H new ATOM 0 HB THR A 21 16.568 2.756 -0.562 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.914 3.989 -2.447 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.956 2.763 -2.605 1.00 0.00 H new ATOM 0 HG22 THR A 21 18.027 1.195 -1.767 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.031 1.377 -3.231 1.00 0.00 H new ATOM 117 N HIS A 22 14.755 1.873 1.138 1.00 0.00 N ATOM 118 CA HIS A 22 13.829 2.288 2.187 1.00 0.00 C ATOM 119 C HIS A 22 13.064 3.531 1.772 1.00 0.00 C ATOM 120 O HIS A 22 11.862 3.612 1.975 1.00 0.00 O ATOM 121 CB HIS A 22 14.550 2.550 3.508 1.00 0.00 C ATOM 122 CG HIS A 22 14.945 1.305 4.244 1.00 0.00 C ATOM 123 ND1 HIS A 22 14.131 0.691 5.172 1.00 0.00 N ATOM 124 CD2 HIS A 22 16.073 0.560 4.189 1.00 0.00 C ATOM 125 CE1 HIS A 22 14.739 -0.375 5.655 1.00 0.00 C ATOM 126 NE2 HIS A 22 15.918 -0.476 5.075 1.00 0.00 N ATOM 0 H HIS A 22 15.741 1.938 1.391 1.00 0.00 H new ATOM 0 HA HIS A 22 13.128 1.466 2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.444 3.142 3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.905 3.150 4.150 1.00 0.00 H new ATOM 0 HD2 HIS A 22 16.934 0.746 3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 22 14.339 -1.049 6.398 1.00 0.00 H new ATOM 0 HE2 HIS A 22 16.605 -1.207 5.256 1.00 0.00 H new ATOM 135 N SER A 23 13.759 4.490 1.176 1.00 0.00 N ATOM 136 CA SER A 23 13.124 5.721 0.730 1.00 0.00 C ATOM 137 C SER A 23 12.108 5.423 -0.370 1.00 0.00 C ATOM 138 O SER A 23 11.029 6.014 -0.407 1.00 0.00 O ATOM 139 CB SER A 23 14.179 6.712 0.228 1.00 0.00 C ATOM 140 OG SER A 23 13.601 7.957 -0.127 1.00 0.00 O ATOM 0 H SER A 23 14.761 4.439 0.991 1.00 0.00 H new ATOM 0 HA SER A 23 12.601 6.170 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.930 6.867 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.693 6.290 -0.635 1.00 0.00 H new ATOM 0 HG SER A 23 14.302 8.565 -0.441 1.00 0.00 H new ATOM 146 N GLU A 24 12.449 4.480 -1.243 1.00 0.00 N ATOM 147 CA GLU A 24 11.572 4.110 -2.342 1.00 0.00 C ATOM 148 C GLU A 24 10.288 3.473 -1.821 1.00 0.00 C ATOM 149 O GLU A 24 9.190 3.824 -2.248 1.00 0.00 O ATOM 150 CB GLU A 24 12.278 3.137 -3.280 1.00 0.00 C ATOM 151 CG GLU A 24 11.487 2.838 -4.538 1.00 0.00 C ATOM 152 CD GLU A 24 12.057 1.680 -5.321 1.00 0.00 C ATOM 153 OE1 GLU A 24 13.060 1.877 -6.029 1.00 0.00 O ATOM 154 OE2 GLU A 24 11.492 0.568 -5.240 1.00 0.00 O ATOM 0 H GLU A 24 13.326 3.960 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 24 11.318 5.018 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.248 3.550 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.469 2.205 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.454 2.617 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.469 3.725 -5.171 1.00 0.00 H new ATOM 161 N ARG A 25 10.427 2.530 -0.899 1.00 0.00 N ATOM 162 CA ARG A 25 9.262 1.885 -0.315 1.00 0.00 C ATOM 163 C ARG A 25 8.500 2.865 0.575 1.00 0.00 C ATOM 164 O ARG A 25 7.270 2.889 0.570 1.00 0.00 O ATOM 165 CB ARG A 25 9.657 0.622 0.463 1.00 0.00 C ATOM 166 CG ARG A 25 10.495 0.882 1.702 1.00 0.00 C ATOM 167 CD ARG A 25 10.952 -0.412 2.350 1.00 0.00 C ATOM 168 NE ARG A 25 11.925 -1.131 1.526 1.00 0.00 N ATOM 169 CZ ARG A 25 12.369 -2.357 1.801 1.00 0.00 C ATOM 170 NH1 ARG A 25 11.908 -3.015 2.859 1.00 0.00 N ATOM 171 NH2 ARG A 25 13.271 -2.929 1.013 1.00 0.00 N ATOM 0 H ARG A 25 11.324 2.199 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 25 8.602 1.576 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.750 0.094 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.211 -0.041 -0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.365 1.482 1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.915 1.463 2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.394 -0.193 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.088 -1.051 2.529 1.00 0.00 H new ATOM 0 HE ARG A 25 12.284 -0.666 0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.211 -2.582 3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.251 -3.953 3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.625 -2.430 0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.611 -3.867 1.224 1.00 0.00 H new ATOM 185 N GLU A 26 9.239 3.694 1.316 1.00 0.00 N ATOM 186 CA GLU A 26 8.636 4.664 2.221 1.00 0.00 C ATOM 187 C GLU A 26 7.744 5.646 1.470 1.00 0.00 C ATOM 188 O GLU A 26 6.625 5.932 1.907 1.00 0.00 O ATOM 189 CB GLU A 26 9.724 5.430 2.979 1.00 0.00 C ATOM 190 CG GLU A 26 9.178 6.520 3.878 1.00 0.00 C ATOM 191 CD GLU A 26 10.263 7.311 4.575 1.00 0.00 C ATOM 192 OE1 GLU A 26 10.688 8.351 4.033 1.00 0.00 O ATOM 193 OE2 GLU A 26 10.688 6.905 5.675 1.00 0.00 O ATOM 0 H GLU A 26 10.259 3.709 1.304 1.00 0.00 H new ATOM 0 HA GLU A 26 8.017 4.115 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.300 4.727 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.413 5.873 2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.565 7.199 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.525 6.072 4.627 1.00 0.00 H new ATOM 200 N LYS A 27 8.230 6.144 0.337 1.00 0.00 N ATOM 201 CA LYS A 27 7.485 7.127 -0.436 1.00 0.00 C ATOM 202 C LYS A 27 6.213 6.512 -1.008 1.00 0.00 C ATOM 203 O LYS A 27 5.169 7.161 -1.052 1.00 0.00 O ATOM 204 CB LYS A 27 8.354 7.724 -1.554 1.00 0.00 C ATOM 205 CG LYS A 27 8.784 6.730 -2.620 1.00 0.00 C ATOM 206 CD LYS A 27 9.799 7.334 -3.580 1.00 0.00 C ATOM 207 CE LYS A 27 9.225 8.517 -4.342 1.00 0.00 C ATOM 208 NZ LYS A 27 10.202 9.075 -5.313 1.00 0.00 N ATOM 0 H LYS A 27 9.131 5.884 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 27 7.200 7.937 0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.802 8.533 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.245 8.166 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.214 5.849 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.910 6.395 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.680 7.654 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.128 6.572 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.324 8.206 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.929 9.294 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.773 9.880 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.052 9.395 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.466 8.341 -6.001 1.00 0.00 H new ATOM 222 N ARG A 28 6.290 5.253 -1.419 1.00 0.00 N ATOM 223 CA ARG A 28 5.121 4.564 -1.945 1.00 0.00 C ATOM 224 C ARG A 28 4.095 4.323 -0.848 1.00 0.00 C ATOM 225 O ARG A 28 2.902 4.546 -1.050 1.00 0.00 O ATOM 226 CB ARG A 28 5.497 3.240 -2.599 1.00 0.00 C ATOM 227 CG ARG A 28 6.187 3.393 -3.939 1.00 0.00 C ATOM 228 CD ARG A 28 6.265 2.065 -4.676 1.00 0.00 C ATOM 229 NE ARG A 28 7.065 1.080 -3.955 1.00 0.00 N ATOM 230 CZ ARG A 28 8.307 0.755 -4.290 1.00 0.00 C ATOM 231 NH1 ARG A 28 8.869 1.292 -5.362 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.989 -0.121 -3.566 1.00 0.00 N ATOM 0 H ARG A 28 7.142 4.693 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 28 4.683 5.209 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.151 2.686 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.595 2.642 -2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.647 4.118 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.192 3.788 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.258 1.674 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.694 2.225 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 28 6.646 0.616 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.347 1.957 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.824 1.040 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.559 -0.549 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.943 -0.367 -3.829 1.00 0.00 H new ATOM 246 N VAL A 29 4.559 3.879 0.314 1.00 0.00 N ATOM 247 CA VAL A 29 3.674 3.672 1.453 1.00 0.00 C ATOM 248 C VAL A 29 3.015 4.990 1.849 1.00 0.00 C ATOM 249 O VAL A 29 1.820 5.032 2.122 1.00 0.00 O ATOM 250 CB VAL A 29 4.420 3.070 2.667 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.499 2.960 3.876 1.00 0.00 C ATOM 252 CG2 VAL A 29 4.994 1.706 2.320 1.00 0.00 C ATOM 0 H VAL A 29 5.538 3.656 0.492 1.00 0.00 H new ATOM 0 HA VAL A 29 2.911 2.956 1.148 1.00 0.00 H new ATOM 0 HB VAL A 29 5.240 3.741 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.049 2.534 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.134 3.951 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.654 2.317 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.515 1.299 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.186 1.033 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.694 1.806 1.490 1.00 0.00 H new ATOM 262 N SER A 30 3.792 6.068 1.847 1.00 0.00 N ATOM 263 CA SER A 30 3.268 7.390 2.167 1.00 0.00 C ATOM 264 C SER A 30 2.173 7.785 1.173 1.00 0.00 C ATOM 265 O SER A 30 1.104 8.256 1.565 1.00 0.00 O ATOM 266 CB SER A 30 4.399 8.424 2.157 1.00 0.00 C ATOM 267 OG SER A 30 3.955 9.684 2.633 1.00 0.00 O ATOM 0 H SER A 30 4.788 6.052 1.627 1.00 0.00 H new ATOM 0 HA SER A 30 2.832 7.361 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.223 8.070 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.786 8.532 1.144 1.00 0.00 H new ATOM 0 HG SER A 30 4.699 10.321 2.616 1.00 0.00 H new ATOM 273 N ASN A 31 2.440 7.562 -0.111 1.00 0.00 N ATOM 274 CA ASN A 31 1.465 7.841 -1.164 1.00 0.00 C ATOM 275 C ASN A 31 0.223 6.975 -1.001 1.00 0.00 C ATOM 276 O ASN A 31 -0.893 7.400 -1.299 1.00 0.00 O ATOM 277 CB ASN A 31 2.074 7.621 -2.550 1.00 0.00 C ATOM 278 CG ASN A 31 2.825 8.836 -3.065 1.00 0.00 C ATOM 279 OD1 ASN A 31 2.245 9.704 -3.714 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.118 8.903 -2.790 1.00 0.00 N ATOM 0 H ASN A 31 3.326 7.188 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 31 1.176 8.888 -1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.753 6.769 -2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.281 7.365 -3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.669 9.695 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.563 8.162 -2.248 1.00 0.00 H new ATOM 287 N ALA A 32 0.423 5.751 -0.545 1.00 0.00 N ATOM 288 CA ALA A 32 -0.675 4.824 -0.330 1.00 0.00 C ATOM 289 C ALA A 32 -1.514 5.236 0.869 1.00 0.00 C ATOM 290 O ALA A 32 -2.739 5.244 0.798 1.00 0.00 O ATOM 291 CB ALA A 32 -0.141 3.417 -0.142 1.00 0.00 C ATOM 0 H ALA A 32 1.342 5.374 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.316 4.846 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.972 2.731 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.412 3.116 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.522 3.392 0.723 1.00 0.00 H new ATOM 297 N VAL A 33 -0.849 5.601 1.958 1.00 0.00 N ATOM 298 CA VAL A 33 -1.537 6.011 3.177 1.00 0.00 C ATOM 299 C VAL A 33 -2.400 7.243 2.917 1.00 0.00 C ATOM 300 O VAL A 33 -3.549 7.313 3.358 1.00 0.00 O ATOM 301 CB VAL A 33 -0.531 6.296 4.322 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.228 6.839 5.562 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.241 5.035 4.670 1.00 0.00 C ATOM 0 H VAL A 33 0.169 5.622 2.022 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.181 5.188 3.487 1.00 0.00 H new ATOM 0 HB VAL A 33 0.163 7.058 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.490 7.026 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.738 7.770 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.956 6.110 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.944 5.249 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.454 4.260 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.788 4.690 3.793 1.00 0.00 H new ATOM 313 N GLU A 34 -1.856 8.196 2.172 1.00 0.00 N ATOM 314 CA GLU A 34 -2.587 9.412 1.850 1.00 0.00 C ATOM 315 C GLU A 34 -3.754 9.112 0.904 1.00 0.00 C ATOM 316 O GLU A 34 -4.817 9.725 1.002 1.00 0.00 O ATOM 317 CB GLU A 34 -1.647 10.461 1.242 1.00 0.00 C ATOM 318 CG GLU A 34 -1.171 10.142 -0.162 1.00 0.00 C ATOM 319 CD GLU A 34 -0.350 11.259 -0.763 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.915 12.076 -1.523 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.862 11.337 -0.476 1.00 0.00 O ATOM 0 H GLU A 34 -0.915 8.150 1.781 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.999 9.818 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.158 11.424 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.778 10.571 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.576 9.229 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.034 9.946 -0.799 1.00 0.00 H new ATOM 328 N PHE A 35 -3.554 8.155 -0.002 1.00 0.00 N ATOM 329 CA PHE A 35 -4.591 7.768 -0.955 1.00 0.00 C ATOM 330 C PHE A 35 -5.709 7.004 -0.257 1.00 0.00 C ATOM 331 O PHE A 35 -6.886 7.256 -0.491 1.00 0.00 O ATOM 332 CB PHE A 35 -3.978 6.912 -2.071 1.00 0.00 C ATOM 333 CG PHE A 35 -4.976 6.295 -3.011 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.319 4.957 -2.892 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.564 7.046 -4.015 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.228 4.380 -3.755 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.477 6.474 -4.881 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.809 5.139 -4.750 1.00 0.00 C ATOM 0 H PHE A 35 -2.682 7.634 -0.095 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.018 8.671 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.290 7.530 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.387 6.116 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.869 4.359 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.307 8.089 -4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.484 3.336 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.930 7.070 -5.659 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.522 4.690 -5.426 1.00 0.00 H new ATOM 348 N LEU A 36 -5.326 6.093 0.623 1.00 0.00 N ATOM 349 CA LEU A 36 -6.280 5.270 1.353 1.00 0.00 C ATOM 350 C LEU A 36 -7.138 6.113 2.287 1.00 0.00 C ATOM 351 O LEU A 36 -8.294 5.780 2.552 1.00 0.00 O ATOM 352 CB LEU A 36 -5.544 4.192 2.137 1.00 0.00 C ATOM 353 CG LEU A 36 -4.868 3.114 1.288 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.115 2.135 2.172 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.893 2.383 0.434 1.00 0.00 C ATOM 0 H LEU A 36 -4.350 5.903 0.852 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.944 4.796 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.787 4.670 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.251 3.710 2.812 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.153 3.599 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.640 1.375 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.352 2.669 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.811 1.657 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.392 1.620 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.634 1.911 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.389 3.094 -0.228 1.00 0.00 H new ATOM 367 N LEU A 37 -6.569 7.201 2.785 1.00 0.00 N ATOM 368 CA LEU A 37 -7.270 8.071 3.717 1.00 0.00 C ATOM 369 C LEU A 37 -8.126 9.102 2.999 1.00 0.00 C ATOM 370 O LEU A 37 -8.681 10.004 3.630 1.00 0.00 O ATOM 371 CB LEU A 37 -6.280 8.778 4.644 1.00 0.00 C ATOM 372 CG LEU A 37 -5.918 8.001 5.906 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.936 8.788 6.761 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.180 7.679 6.690 1.00 0.00 C ATOM 0 H LEU A 37 -5.621 7.503 2.558 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.931 7.438 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.366 8.985 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.700 9.741 4.935 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.434 7.067 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.692 8.215 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.026 8.976 6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.385 9.738 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.917 7.124 7.591 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.682 8.606 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.847 7.076 6.074 1.00 0.00 H new ATOM 386 N ASP A 38 -8.239 8.976 1.688 1.00 0.00 N ATOM 387 CA ASP A 38 -9.093 9.871 0.928 1.00 0.00 C ATOM 388 C ASP A 38 -10.545 9.438 1.067 1.00 0.00 C ATOM 389 O ASP A 38 -10.846 8.246 1.016 1.00 0.00 O ATOM 390 CB ASP A 38 -8.699 9.888 -0.550 1.00 0.00 C ATOM 391 CG ASP A 38 -9.488 10.906 -1.352 1.00 0.00 C ATOM 392 OD1 ASP A 38 -8.964 12.011 -1.601 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.639 10.616 -1.729 1.00 0.00 O ATOM 0 H ASP A 38 -7.755 8.270 1.133 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.970 10.878 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.635 10.109 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.854 8.896 -0.975 1.00 0.00 H new ATOM 398 N SER A 39 -11.438 10.403 1.238 1.00 0.00 N ATOM 399 CA SER A 39 -12.854 10.119 1.451 1.00 0.00 C ATOM 400 C SER A 39 -13.450 9.289 0.311 1.00 0.00 C ATOM 401 O SER A 39 -14.243 8.377 0.548 1.00 0.00 O ATOM 402 CB SER A 39 -13.619 11.429 1.602 1.00 0.00 C ATOM 403 OG SER A 39 -13.045 12.232 2.621 1.00 0.00 O ATOM 0 H SER A 39 -11.207 11.396 1.234 1.00 0.00 H new ATOM 0 HA SER A 39 -12.945 9.529 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.610 11.972 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.662 11.221 1.841 1.00 0.00 H new ATOM 0 HG SER A 39 -13.549 13.069 2.701 1.00 0.00 H new ATOM 409 N ARG A 40 -13.053 9.593 -0.919 1.00 0.00 N ATOM 410 CA ARG A 40 -13.561 8.880 -2.085 1.00 0.00 C ATOM 411 C ARG A 40 -13.056 7.445 -2.091 1.00 0.00 C ATOM 412 O ARG A 40 -13.780 6.518 -2.457 1.00 0.00 O ATOM 413 CB ARG A 40 -13.133 9.590 -3.368 1.00 0.00 C ATOM 414 CG ARG A 40 -13.797 10.942 -3.567 1.00 0.00 C ATOM 415 CD ARG A 40 -13.126 11.733 -4.678 1.00 0.00 C ATOM 416 NE ARG A 40 -13.076 10.988 -5.936 1.00 0.00 N ATOM 417 CZ ARG A 40 -12.354 11.360 -6.991 1.00 0.00 C ATOM 418 NH1 ARG A 40 -11.644 12.482 -6.950 1.00 0.00 N ATOM 419 NH2 ARG A 40 -12.344 10.611 -8.087 1.00 0.00 N ATOM 0 H ARG A 40 -12.380 10.329 -1.135 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.650 8.868 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.051 9.724 -3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.365 8.952 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.851 10.799 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.755 11.510 -2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.665 12.668 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.113 11.996 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.627 10.133 -6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.651 13.060 -6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.091 12.766 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.890 9.750 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.791 10.897 -8.895 1.00 0.00 H new ATOM 433 N VAL A 41 -11.815 7.271 -1.659 1.00 0.00 N ATOM 434 CA VAL A 41 -11.189 5.958 -1.617 1.00 0.00 C ATOM 435 C VAL A 41 -11.735 5.135 -0.452 1.00 0.00 C ATOM 436 O VAL A 41 -11.888 3.918 -0.547 1.00 0.00 O ATOM 437 CB VAL A 41 -9.659 6.086 -1.509 1.00 0.00 C ATOM 438 CG1 VAL A 41 -8.996 4.719 -1.450 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.126 6.890 -2.683 1.00 0.00 C ATOM 0 H VAL A 41 -11.218 8.030 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.428 5.442 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.420 6.608 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.916 4.842 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.362 4.175 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.235 4.159 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.043 6.978 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.380 6.385 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.572 7.884 -2.675 1.00 0.00 H new ATOM 449 N ARG A 42 -12.053 5.808 0.643 1.00 0.00 N ATOM 450 CA ARG A 42 -12.697 5.156 1.779 1.00 0.00 C ATOM 451 C ARG A 42 -14.078 4.638 1.380 1.00 0.00 C ATOM 452 O ARG A 42 -14.635 3.750 2.028 1.00 0.00 O ATOM 453 CB ARG A 42 -12.811 6.117 2.965 1.00 0.00 C ATOM 454 CG ARG A 42 -11.465 6.573 3.507 1.00 0.00 C ATOM 455 CD ARG A 42 -11.620 7.554 4.658 1.00 0.00 C ATOM 456 NE ARG A 42 -12.249 6.943 5.826 1.00 0.00 N ATOM 457 CZ ARG A 42 -12.565 7.605 6.938 1.00 0.00 C ATOM 458 NH1 ARG A 42 -12.330 8.910 7.029 1.00 0.00 N ATOM 459 NH2 ARG A 42 -13.120 6.962 7.956 1.00 0.00 N ATOM 0 H ARG A 42 -11.877 6.804 0.772 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.080 4.311 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.386 6.991 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.370 5.631 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.896 5.706 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.891 7.040 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.640 7.941 4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.217 8.405 4.330 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.460 5.946 5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.906 9.408 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.573 9.414 7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.305 5.961 7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.362 7.468 8.808 1.00 0.00 H new ATOM 473 N ARG A 43 -14.626 5.209 0.312 1.00 0.00 N ATOM 474 CA ARG A 43 -15.935 4.816 -0.188 1.00 0.00 C ATOM 475 C ARG A 43 -15.844 3.664 -1.191 1.00 0.00 C ATOM 476 O ARG A 43 -16.845 3.006 -1.475 1.00 0.00 O ATOM 477 CB ARG A 43 -16.631 6.011 -0.834 1.00 0.00 C ATOM 478 CG ARG A 43 -17.074 7.070 0.163 1.00 0.00 C ATOM 479 CD ARG A 43 -17.637 8.291 -0.540 1.00 0.00 C ATOM 480 NE ARG A 43 -18.692 7.940 -1.489 1.00 0.00 N ATOM 481 CZ ARG A 43 -19.167 8.774 -2.412 1.00 0.00 C ATOM 482 NH1 ARG A 43 -18.720 10.024 -2.476 1.00 0.00 N ATOM 483 NH2 ARG A 43 -20.094 8.363 -3.266 1.00 0.00 N ATOM 0 H ARG A 43 -14.178 5.951 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.518 4.468 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.956 6.466 -1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.501 5.658 -1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.828 6.652 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.228 7.364 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.033 8.985 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.835 8.809 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 43 -19.088 7.001 -1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.011 10.347 -1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.086 10.661 -3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.445 7.406 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.457 9.003 -3.972 1.00 0.00 H new ATOM 497 N THR A 44 -14.658 3.421 -1.739 1.00 0.00 N ATOM 498 CA THR A 44 -14.466 2.315 -2.669 1.00 0.00 C ATOM 499 C THR A 44 -14.175 1.016 -1.917 1.00 0.00 C ATOM 500 O THR A 44 -13.788 1.049 -0.748 1.00 0.00 O ATOM 501 CB THR A 44 -13.324 2.607 -3.666 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.174 3.118 -2.987 1.00 0.00 O ATOM 503 CG2 THR A 44 -13.767 3.594 -4.734 1.00 0.00 C ATOM 0 H THR A 44 -13.819 3.972 -1.556 1.00 0.00 H new ATOM 0 HA THR A 44 -15.393 2.201 -3.231 1.00 0.00 H new ATOM 0 HB THR A 44 -13.063 1.665 -4.148 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.280 2.988 -2.021 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.942 3.780 -5.422 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.612 3.180 -5.284 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.065 4.531 -4.263 1.00 0.00 H new ATOM 511 N PRO A 45 -14.383 -0.147 -2.564 1.00 0.00 N ATOM 512 CA PRO A 45 -14.062 -1.451 -1.971 1.00 0.00 C ATOM 513 C PRO A 45 -12.561 -1.624 -1.746 1.00 0.00 C ATOM 514 O PRO A 45 -11.746 -0.951 -2.384 1.00 0.00 O ATOM 515 CB PRO A 45 -14.566 -2.458 -3.010 1.00 0.00 C ATOM 516 CG PRO A 45 -14.605 -1.698 -4.287 1.00 0.00 C ATOM 517 CD PRO A 45 -14.965 -0.291 -3.912 1.00 0.00 C ATOM 0 HA PRO A 45 -14.519 -1.575 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.901 -3.319 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.553 -2.839 -2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.640 -1.733 -4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.340 -2.121 -4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.547 0.433 -4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.044 -0.139 -3.904 1.00 0.00 H new ATOM 525 N THR A 46 -12.204 -2.533 -0.852 1.00 0.00 N ATOM 526 CA THR A 46 -10.812 -2.744 -0.476 1.00 0.00 C ATOM 527 C THR A 46 -9.970 -3.192 -1.670 1.00 0.00 C ATOM 528 O THR A 46 -8.835 -2.753 -1.835 1.00 0.00 O ATOM 529 CB THR A 46 -10.705 -3.806 0.629 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.893 -3.784 1.433 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.496 -3.556 1.517 1.00 0.00 C ATOM 0 H THR A 46 -12.864 -3.142 -0.369 1.00 0.00 H new ATOM 0 HA THR A 46 -10.432 -1.790 -0.112 1.00 0.00 H new ATOM 0 HB THR A 46 -10.590 -4.780 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.825 -4.463 2.136 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.447 -4.324 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.589 -3.589 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.585 -2.576 1.985 1.00 0.00 H new ATOM 539 N SER A 47 -10.543 -4.054 -2.505 1.00 0.00 N ATOM 540 CA SER A 47 -9.825 -4.612 -3.644 1.00 0.00 C ATOM 541 C SER A 47 -9.354 -3.507 -4.579 1.00 0.00 C ATOM 542 O SER A 47 -8.212 -3.517 -5.034 1.00 0.00 O ATOM 543 CB SER A 47 -10.714 -5.600 -4.400 1.00 0.00 C ATOM 544 OG SER A 47 -9.955 -6.421 -5.270 1.00 0.00 O ATOM 0 H SER A 47 -11.505 -4.381 -2.413 1.00 0.00 H new ATOM 0 HA SER A 47 -8.949 -5.142 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.254 -6.224 -3.688 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.461 -5.053 -4.974 1.00 0.00 H new ATOM 0 HG SER A 47 -9.048 -6.059 -5.353 1.00 0.00 H new ATOM 550 N SER A 48 -10.223 -2.539 -4.831 1.00 0.00 N ATOM 551 CA SER A 48 -9.899 -1.424 -5.695 1.00 0.00 C ATOM 552 C SER A 48 -8.713 -0.639 -5.152 1.00 0.00 C ATOM 553 O SER A 48 -7.808 -0.262 -5.900 1.00 0.00 O ATOM 554 CB SER A 48 -11.117 -0.523 -5.812 1.00 0.00 C ATOM 555 OG SER A 48 -12.199 -1.222 -6.401 1.00 0.00 O ATOM 0 H SER A 48 -11.166 -2.508 -4.443 1.00 0.00 H new ATOM 0 HA SER A 48 -9.623 -1.803 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.405 -0.161 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.872 0.353 -6.413 1.00 0.00 H new ATOM 0 HG SER A 48 -12.975 -0.628 -6.467 1.00 0.00 H new ATOM 561 N LYS A 49 -8.723 -0.418 -3.843 1.00 0.00 N ATOM 562 CA LYS A 49 -7.639 0.281 -3.168 1.00 0.00 C ATOM 563 C LYS A 49 -6.333 -0.476 -3.359 1.00 0.00 C ATOM 564 O LYS A 49 -5.315 0.097 -3.750 1.00 0.00 O ATOM 565 CB LYS A 49 -7.932 0.392 -1.674 1.00 0.00 C ATOM 566 CG LYS A 49 -9.306 0.939 -1.342 1.00 0.00 C ATOM 567 CD LYS A 49 -9.553 0.920 0.158 1.00 0.00 C ATOM 568 CE LYS A 49 -11.019 1.138 0.479 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.288 1.115 1.940 1.00 0.00 N ATOM 0 H LYS A 49 -9.477 -0.716 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.553 1.279 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.829 -0.594 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.179 1.033 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.395 1.959 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.069 0.347 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.227 -0.035 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.955 1.695 0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.340 2.095 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.614 0.366 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.303 1.268 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.008 0.193 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.742 1.868 2.405 1.00 0.00 H new ATOM 583 N VAL A 50 -6.385 -1.777 -3.099 1.00 0.00 N ATOM 584 CA VAL A 50 -5.198 -2.624 -3.164 1.00 0.00 C ATOM 585 C VAL A 50 -4.672 -2.712 -4.595 1.00 0.00 C ATOM 586 O VAL A 50 -3.468 -2.592 -4.837 1.00 0.00 O ATOM 587 CB VAL A 50 -5.487 -4.047 -2.637 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.238 -4.911 -2.690 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.032 -3.999 -1.220 1.00 0.00 C ATOM 0 H VAL A 50 -7.239 -2.271 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.441 -2.164 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.242 -4.493 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.469 -5.908 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.890 -4.984 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.459 -4.462 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.228 -5.013 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.301 -3.524 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.959 -3.425 -1.206 1.00 0.00 H new ATOM 599 N HIS A 51 -5.586 -2.899 -5.539 1.00 0.00 N ATOM 600 CA HIS A 51 -5.225 -3.035 -6.947 1.00 0.00 C ATOM 601 C HIS A 51 -4.590 -1.753 -7.475 1.00 0.00 C ATOM 602 O HIS A 51 -3.651 -1.799 -8.269 1.00 0.00 O ATOM 603 CB HIS A 51 -6.452 -3.395 -7.793 1.00 0.00 C ATOM 604 CG HIS A 51 -6.956 -4.793 -7.584 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.775 -5.440 -8.482 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.763 -5.665 -6.564 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.060 -6.644 -8.026 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.458 -6.805 -6.867 1.00 0.00 N ATOM 0 H HIS A 51 -6.587 -2.960 -5.355 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.496 -3.842 -7.024 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.255 -2.694 -7.565 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.204 -3.264 -8.846 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.171 -5.492 -5.677 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.683 -7.375 -8.520 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.502 -7.644 -6.288 1.00 0.00 H new ATOM 617 N PHE A 52 -5.097 -0.612 -7.019 1.00 0.00 N ATOM 618 CA PHE A 52 -4.585 0.681 -7.456 1.00 0.00 C ATOM 619 C PHE A 52 -3.162 0.885 -6.959 1.00 0.00 C ATOM 620 O PHE A 52 -2.288 1.319 -7.708 1.00 0.00 O ATOM 621 CB PHE A 52 -5.488 1.811 -6.951 1.00 0.00 C ATOM 622 CG PHE A 52 -5.119 3.169 -7.482 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.318 4.025 -6.743 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.578 3.591 -8.721 1.00 0.00 C ATOM 625 CE1 PHE A 52 -3.983 5.274 -7.227 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.245 4.841 -9.210 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.446 5.684 -8.461 1.00 0.00 C ATOM 0 H PHE A 52 -5.862 -0.557 -6.347 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.579 0.698 -8.546 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.519 1.591 -7.229 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.449 1.835 -5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.951 3.711 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.202 2.936 -9.310 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.358 5.931 -6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.609 5.158 -10.176 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.185 6.661 -8.840 1.00 0.00 H new ATOM 637 N LEU A 53 -2.933 0.551 -5.698 1.00 0.00 N ATOM 638 CA LEU A 53 -1.621 0.718 -5.090 1.00 0.00 C ATOM 639 C LEU A 53 -0.602 -0.217 -5.731 1.00 0.00 C ATOM 640 O LEU A 53 0.533 0.178 -6.001 1.00 0.00 O ATOM 641 CB LEU A 53 -1.704 0.465 -3.586 1.00 0.00 C ATOM 642 CG LEU A 53 -2.652 1.396 -2.829 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.682 1.045 -1.351 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.247 2.848 -3.027 1.00 0.00 C ATOM 0 H LEU A 53 -3.640 0.162 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.292 1.743 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.022 -0.565 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.705 0.562 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.656 1.263 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.362 1.719 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.025 0.018 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.681 1.146 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.933 3.495 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.234 2.997 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.283 3.094 -4.088 1.00 0.00 H new ATOM 656 N LYS A 54 -1.012 -1.451 -5.998 1.00 0.00 N ATOM 657 CA LYS A 54 -0.155 -2.402 -6.678 1.00 0.00 C ATOM 658 C LYS A 54 0.171 -1.898 -8.080 1.00 0.00 C ATOM 659 O LYS A 54 1.291 -2.051 -8.568 1.00 0.00 O ATOM 660 CB LYS A 54 -0.837 -3.767 -6.754 1.00 0.00 C ATOM 661 CG LYS A 54 0.029 -4.841 -7.382 1.00 0.00 C ATOM 662 CD LYS A 54 1.287 -5.083 -6.568 1.00 0.00 C ATOM 663 CE LYS A 54 2.318 -5.836 -7.376 1.00 0.00 C ATOM 664 NZ LYS A 54 3.613 -5.967 -6.654 1.00 0.00 N ATOM 0 H LYS A 54 -1.934 -1.812 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 54 0.773 -2.507 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.119 -4.080 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.759 -3.672 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.539 -5.768 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.301 -4.545 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.702 -4.130 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.040 -5.648 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.936 -6.828 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.482 -5.321 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.381 -6.104 -7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.792 -5.104 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.572 -6.785 -6.013 1.00 0.00 H new ATOM 678 N SER A 55 -0.816 -1.273 -8.708 1.00 0.00 N ATOM 679 CA SER A 55 -0.655 -0.707 -10.038 1.00 0.00 C ATOM 680 C SER A 55 0.242 0.531 -9.997 1.00 0.00 C ATOM 681 O SER A 55 0.710 1.003 -11.031 1.00 0.00 O ATOM 682 CB SER A 55 -2.026 -0.352 -10.617 1.00 0.00 C ATOM 683 OG SER A 55 -1.925 0.149 -11.942 1.00 0.00 O ATOM 0 H SER A 55 -1.747 -1.145 -8.311 1.00 0.00 H new ATOM 0 HA SER A 55 -0.177 -1.449 -10.678 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.663 -1.236 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.507 0.392 -9.983 1.00 0.00 H new ATOM 0 HG SER A 55 -1.035 0.536 -12.078 1.00 0.00 H new ATOM 689 N LYS A 56 0.475 1.054 -8.799 1.00 0.00 N ATOM 690 CA LYS A 56 1.364 2.188 -8.622 1.00 0.00 C ATOM 691 C LYS A 56 2.788 1.725 -8.346 1.00 0.00 C ATOM 692 O LYS A 56 3.688 2.538 -8.121 1.00 0.00 O ATOM 693 CB LYS A 56 0.873 3.078 -7.484 1.00 0.00 C ATOM 694 CG LYS A 56 -0.311 3.952 -7.859 1.00 0.00 C ATOM 695 CD LYS A 56 -0.476 5.117 -6.895 1.00 0.00 C ATOM 696 CE LYS A 56 0.704 6.074 -6.973 1.00 0.00 C ATOM 697 NZ LYS A 56 0.508 7.270 -6.114 1.00 0.00 N ATOM 0 H LYS A 56 0.058 0.707 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 56 1.363 2.765 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.596 2.450 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.693 3.715 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.176 4.333 -8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.220 3.351 -7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.397 5.653 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.573 4.738 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.613 5.554 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.847 6.389 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.380 7.836 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.273 7.844 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.279 6.968 -5.145 1.00 0.00 H new ATOM 711 N GLY A 57 2.987 0.416 -8.356 1.00 0.00 N ATOM 712 CA GLY A 57 4.314 -0.127 -8.183 1.00 0.00 C ATOM 713 C GLY A 57 4.593 -0.567 -6.762 1.00 0.00 C ATOM 714 O GLY A 57 5.719 -0.939 -6.441 1.00 0.00 O ATOM 0 H GLY A 57 2.251 -0.279 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.443 -0.977 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.048 0.623 -8.476 1.00 0.00 H new ATOM 718 N LEU A 58 3.580 -0.523 -5.906 1.00 0.00 N ATOM 719 CA LEU A 58 3.749 -0.958 -4.525 1.00 0.00 C ATOM 720 C LEU A 58 3.852 -2.472 -4.432 1.00 0.00 C ATOM 721 O LEU A 58 3.335 -3.201 -5.282 1.00 0.00 O ATOM 722 CB LEU A 58 2.599 -0.485 -3.631 1.00 0.00 C ATOM 723 CG LEU A 58 2.745 0.919 -3.046 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.382 1.983 -4.068 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.902 1.057 -1.792 1.00 0.00 C ATOM 0 H LEU A 58 2.643 -0.195 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 58 4.677 -0.507 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.676 -0.523 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.489 -1.191 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 58 3.791 1.069 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.496 2.971 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.041 1.897 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.348 1.845 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.016 2.062 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.855 0.881 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.229 0.327 -1.051 1.00 0.00 H new ATOM 737 N SER A 59 4.530 -2.933 -3.401 1.00 0.00 N ATOM 738 CA SER A 59 4.585 -4.349 -3.094 1.00 0.00 C ATOM 739 C SER A 59 3.479 -4.694 -2.102 1.00 0.00 C ATOM 740 O SER A 59 2.939 -3.803 -1.444 1.00 0.00 O ATOM 741 CB SER A 59 5.955 -4.699 -2.517 1.00 0.00 C ATOM 742 OG SER A 59 6.989 -4.325 -3.414 1.00 0.00 O ATOM 0 H SER A 59 5.055 -2.342 -2.756 1.00 0.00 H new ATOM 0 HA SER A 59 4.436 -4.930 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.094 -4.191 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.009 -5.769 -2.319 1.00 0.00 H new ATOM 0 HG SER A 59 7.859 -4.556 -3.025 1.00 0.00 H new ATOM 748 N ALA A 60 3.141 -5.973 -1.991 1.00 0.00 N ATOM 749 CA ALA A 60 2.056 -6.401 -1.115 1.00 0.00 C ATOM 750 C ALA A 60 2.314 -5.977 0.329 1.00 0.00 C ATOM 751 O ALA A 60 1.412 -5.499 1.016 1.00 0.00 O ATOM 752 CB ALA A 60 1.864 -7.908 -1.206 1.00 0.00 C ATOM 0 H ALA A 60 3.601 -6.731 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 60 1.140 -5.913 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.051 -8.212 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.621 -8.182 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.783 -8.411 -0.904 1.00 0.00 H new ATOM 758 N GLU A 61 3.554 -6.141 0.773 1.00 0.00 N ATOM 759 CA GLU A 61 3.952 -5.751 2.123 1.00 0.00 C ATOM 760 C GLU A 61 3.784 -4.248 2.331 1.00 0.00 C ATOM 761 O GLU A 61 3.378 -3.798 3.405 1.00 0.00 O ATOM 762 CB GLU A 61 5.408 -6.142 2.399 1.00 0.00 C ATOM 763 CG GLU A 61 5.696 -7.629 2.258 1.00 0.00 C ATOM 764 CD GLU A 61 5.963 -8.045 0.826 1.00 0.00 C ATOM 765 OE1 GLU A 61 5.001 -8.363 0.098 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.141 -8.060 0.420 1.00 0.00 O ATOM 0 H GLU A 61 4.307 -6.544 0.215 1.00 0.00 H new ATOM 0 HA GLU A 61 3.302 -6.281 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.055 -5.592 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.671 -5.827 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.559 -7.887 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.849 -8.196 2.644 1.00 0.00 H new ATOM 773 N GLU A 62 4.098 -3.475 1.300 1.00 0.00 N ATOM 774 CA GLU A 62 3.984 -2.023 1.363 1.00 0.00 C ATOM 775 C GLU A 62 2.522 -1.610 1.480 1.00 0.00 C ATOM 776 O GLU A 62 2.173 -0.721 2.259 1.00 0.00 O ATOM 777 CB GLU A 62 4.627 -1.393 0.127 1.00 0.00 C ATOM 778 CG GLU A 62 6.103 -1.730 -0.016 1.00 0.00 C ATOM 779 CD GLU A 62 6.709 -1.205 -1.300 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.947 -1.265 -1.447 1.00 0.00 O ATOM 781 OE2 GLU A 62 5.952 -0.739 -2.174 1.00 0.00 O ATOM 0 H GLU A 62 4.435 -3.831 0.406 1.00 0.00 H new ATOM 0 HA GLU A 62 4.510 -1.666 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.096 -1.730 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.511 -0.310 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.648 -1.316 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.228 -2.812 0.022 1.00 0.00 H new ATOM 788 N ILE A 63 1.673 -2.278 0.712 1.00 0.00 N ATOM 789 CA ILE A 63 0.234 -2.055 0.770 1.00 0.00 C ATOM 790 C ILE A 63 -0.310 -2.439 2.147 1.00 0.00 C ATOM 791 O ILE A 63 -1.090 -1.699 2.751 1.00 0.00 O ATOM 792 CB ILE A 63 -0.491 -2.878 -0.317 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.057 -2.526 -1.702 1.00 0.00 C ATOM 794 CG2 ILE A 63 -1.991 -2.634 -0.261 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.418 -3.455 -2.800 1.00 0.00 C ATOM 0 H ILE A 63 1.959 -2.985 0.035 1.00 0.00 H new ATOM 0 HA ILE A 63 0.050 -0.995 0.593 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.309 -3.936 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.236 -1.506 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.146 -2.546 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.484 -3.223 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.371 -2.929 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.194 -1.576 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.012 -3.143 -3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.102 -4.474 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.506 -3.418 -2.863 1.00 0.00 H new ATOM 807 N CYS A 64 0.131 -3.595 2.636 1.00 0.00 N ATOM 808 CA CYS A 64 -0.266 -4.097 3.948 1.00 0.00 C ATOM 809 C CYS A 64 0.069 -3.088 5.045 1.00 0.00 C ATOM 810 O CYS A 64 -0.734 -2.843 5.953 1.00 0.00 O ATOM 811 CB CYS A 64 0.442 -5.428 4.223 1.00 0.00 C ATOM 812 SG CYS A 64 0.076 -6.160 5.834 1.00 0.00 S ATOM 0 H CYS A 64 0.773 -4.209 2.135 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.345 -4.251 3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.165 -6.139 3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.518 -5.274 4.145 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.212 -6.218 6.002 1.00 0.00 H new ATOM 818 N GLU A 65 1.253 -2.497 4.950 1.00 0.00 N ATOM 819 CA GLU A 65 1.689 -1.505 5.908 1.00 0.00 C ATOM 820 C GLU A 65 0.829 -0.252 5.813 1.00 0.00 C ATOM 821 O GLU A 65 0.336 0.245 6.826 1.00 0.00 O ATOM 822 CB GLU A 65 3.154 -1.156 5.671 1.00 0.00 C ATOM 823 CG GLU A 65 3.626 0.028 6.487 1.00 0.00 C ATOM 824 CD GLU A 65 5.094 0.326 6.296 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.512 1.475 6.543 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.841 -0.592 5.899 1.00 0.00 O ATOM 0 H GLU A 65 1.929 -2.693 4.211 1.00 0.00 H new ATOM 0 HA GLU A 65 1.581 -1.921 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.770 -2.023 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.303 -0.942 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.043 0.907 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.434 -0.165 7.542 1.00 0.00 H new ATOM 833 N ALA A 66 0.636 0.233 4.591 1.00 0.00 N ATOM 834 CA ALA A 66 -0.133 1.447 4.350 1.00 0.00 C ATOM 835 C ALA A 66 -1.536 1.329 4.924 1.00 0.00 C ATOM 836 O ALA A 66 -1.997 2.224 5.629 1.00 0.00 O ATOM 837 CB ALA A 66 -0.205 1.742 2.861 1.00 0.00 C ATOM 0 H ALA A 66 1.006 -0.201 3.745 1.00 0.00 H new ATOM 0 HA ALA A 66 0.375 2.270 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.783 2.652 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.803 1.877 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.687 0.910 2.348 1.00 0.00 H new ATOM 843 N PHE A 67 -2.198 0.213 4.637 1.00 0.00 N ATOM 844 CA PHE A 67 -3.533 -0.040 5.155 1.00 0.00 C ATOM 845 C PHE A 67 -3.565 0.059 6.672 1.00 0.00 C ATOM 846 O PHE A 67 -4.431 0.713 7.245 1.00 0.00 O ATOM 847 CB PHE A 67 -4.026 -1.416 4.714 1.00 0.00 C ATOM 848 CG PHE A 67 -4.872 -1.376 3.478 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.306 -1.524 2.225 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.238 -1.186 3.576 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.091 -1.483 1.089 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.027 -1.145 2.447 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.454 -1.294 1.201 1.00 0.00 C ATOM 0 H PHE A 67 -1.828 -0.532 4.046 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.195 0.724 4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.166 -2.062 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.600 -1.865 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.240 -1.673 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.692 -1.068 4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.639 -1.599 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.093 -0.996 2.538 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.070 -1.263 0.315 1.00 0.00 H new ATOM 863 N THR A 68 -2.606 -0.571 7.323 1.00 0.00 N ATOM 864 CA THR A 68 -2.572 -0.578 8.772 1.00 0.00 C ATOM 865 C THR A 68 -2.333 0.835 9.315 1.00 0.00 C ATOM 866 O THR A 68 -2.852 1.205 10.369 1.00 0.00 O ATOM 867 CB THR A 68 -1.493 -1.545 9.292 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.617 -2.814 8.629 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.630 -1.747 10.791 1.00 0.00 C ATOM 0 H THR A 68 -1.845 -1.081 6.875 1.00 0.00 H new ATOM 0 HA THR A 68 -3.541 -0.925 9.130 1.00 0.00 H new ATOM 0 HB THR A 68 -0.515 -1.113 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.233 -2.752 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.858 -2.434 11.138 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.518 -0.789 11.299 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.612 -2.163 11.014 1.00 0.00 H new ATOM 877 N LYS A 69 -1.572 1.629 8.567 1.00 0.00 N ATOM 878 CA LYS A 69 -1.257 2.997 8.968 1.00 0.00 C ATOM 879 C LYS A 69 -2.468 3.918 8.839 1.00 0.00 C ATOM 880 O LYS A 69 -2.595 4.890 9.584 1.00 0.00 O ATOM 881 CB LYS A 69 -0.086 3.539 8.150 1.00 0.00 C ATOM 882 CG LYS A 69 1.183 2.728 8.341 1.00 0.00 C ATOM 883 CD LYS A 69 2.419 3.600 8.472 1.00 0.00 C ATOM 884 CE LYS A 69 2.773 4.283 7.173 1.00 0.00 C ATOM 885 NZ LYS A 69 4.110 4.932 7.239 1.00 0.00 N ATOM 0 H LYS A 69 -1.161 1.347 7.677 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.972 2.972 10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.356 3.542 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.102 4.574 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.083 2.109 9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.308 2.051 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.251 4.352 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.260 2.989 8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.762 3.553 6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.016 5.031 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.319 5.391 6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.112 5.646 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.835 4.214 7.439 1.00 0.00 H new ATOM 899 N VAL A 70 -3.364 3.607 7.908 1.00 0.00 N ATOM 900 CA VAL A 70 -4.559 4.424 7.700 1.00 0.00 C ATOM 901 C VAL A 70 -5.672 4.031 8.669 1.00 0.00 C ATOM 902 O VAL A 70 -6.753 4.624 8.671 1.00 0.00 O ATOM 903 CB VAL A 70 -5.081 4.330 6.247 1.00 0.00 C ATOM 904 CG1 VAL A 70 -3.957 4.616 5.270 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.716 2.978 5.951 1.00 0.00 C ATOM 0 H VAL A 70 -3.288 2.801 7.288 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.266 5.456 7.891 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.861 5.082 6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.335 4.547 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.568 5.619 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.158 3.888 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.068 2.959 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.978 2.189 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.558 2.816 6.624 1.00 0.00 H new ATOM 915 N GLY A 71 -5.399 3.032 9.497 1.00 0.00 N ATOM 916 CA GLY A 71 -6.372 2.596 10.475 1.00 0.00 C ATOM 917 C GLY A 71 -7.168 1.400 10.004 1.00 0.00 C ATOM 918 O GLY A 71 -8.197 1.060 10.589 1.00 0.00 O ATOM 0 H GLY A 71 -4.519 2.516 9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.861 2.345 11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.053 3.418 10.697 1.00 0.00 H new ATOM 922 N GLN A 72 -6.694 0.760 8.949 1.00 0.00 N ATOM 923 CA GLN A 72 -7.350 -0.419 8.412 1.00 0.00 C ATOM 924 C GLN A 72 -6.373 -1.588 8.436 1.00 0.00 C ATOM 925 O GLN A 72 -5.625 -1.807 7.488 1.00 0.00 O ATOM 926 CB GLN A 72 -7.825 -0.140 6.979 1.00 0.00 C ATOM 927 CG GLN A 72 -8.452 -1.334 6.275 1.00 0.00 C ATOM 928 CD GLN A 72 -9.809 -1.705 6.827 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.922 -2.510 7.751 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.850 -1.124 6.255 1.00 0.00 N ATOM 0 H GLN A 72 -5.852 1.039 8.445 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.219 -0.670 9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.551 0.673 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.976 0.207 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.548 -1.112 5.212 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.784 -2.191 6.363 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.709 -0.462 5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.794 -1.337 6.577 1.00 0.00 H new ATOM 939 N PRO A 73 -6.359 -2.355 9.527 1.00 0.00 N ATOM 940 CA PRO A 73 -5.405 -3.442 9.694 1.00 0.00 C ATOM 941 C PRO A 73 -5.701 -4.614 8.767 1.00 0.00 C ATOM 942 O PRO A 73 -6.660 -5.364 8.967 1.00 0.00 O ATOM 943 CB PRO A 73 -5.561 -3.848 11.157 1.00 0.00 C ATOM 944 CG PRO A 73 -6.931 -3.407 11.539 1.00 0.00 C ATOM 945 CD PRO A 73 -7.259 -2.214 10.682 1.00 0.00 C ATOM 0 HA PRO A 73 -4.390 -3.134 9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.444 -4.925 11.282 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.805 -3.371 11.781 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.653 -4.208 11.380 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.972 -3.146 12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.305 -2.216 10.377 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.084 -1.279 11.214 1.00 0.00 H new ATOM 953 N LYS A 74 -4.892 -4.737 7.732 1.00 0.00 N ATOM 954 CA LYS A 74 -5.002 -5.842 6.801 1.00 0.00 C ATOM 955 C LYS A 74 -3.745 -6.684 6.854 1.00 0.00 C ATOM 956 O LYS A 74 -2.637 -6.155 6.941 1.00 0.00 O ATOM 957 CB LYS A 74 -5.242 -5.343 5.374 1.00 0.00 C ATOM 958 CG LYS A 74 -6.614 -4.724 5.161 1.00 0.00 C ATOM 959 CD LYS A 74 -7.719 -5.685 5.568 1.00 0.00 C ATOM 960 CE LYS A 74 -9.096 -5.143 5.234 1.00 0.00 C ATOM 961 NZ LYS A 74 -10.172 -6.007 5.787 1.00 0.00 N ATOM 0 H LYS A 74 -4.145 -4.078 7.514 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.858 -6.450 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.479 -4.606 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.119 -6.176 4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.695 -3.805 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.734 -4.451 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.573 -6.640 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.655 -5.878 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.197 -4.134 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.207 -5.070 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.006 -5.963 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.834 -6.989 5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.430 -5.674 6.738 1.00 0.00 H new ATOM 975 N THR A 75 -3.922 -7.987 6.823 1.00 0.00 N ATOM 976 CA THR A 75 -2.803 -8.905 6.853 1.00 0.00 C ATOM 977 C THR A 75 -2.210 -9.062 5.460 1.00 0.00 C ATOM 978 O THR A 75 -2.874 -8.776 4.459 1.00 0.00 O ATOM 979 CB THR A 75 -3.234 -10.284 7.391 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.392 -10.748 6.681 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.539 -10.217 8.880 1.00 0.00 C ATOM 0 H THR A 75 -4.836 -8.437 6.777 1.00 0.00 H new ATOM 0 HA THR A 75 -2.048 -8.491 7.521 1.00 0.00 H new ATOM 0 HB THR A 75 -2.410 -10.981 7.238 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.134 -10.124 6.822 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.841 -11.203 9.234 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.649 -9.894 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.347 -9.506 9.054 1.00 0.00 H new ATOM 989 N LEU A 76 -0.964 -9.511 5.397 1.00 0.00 N ATOM 990 CA LEU A 76 -0.303 -9.747 4.124 1.00 0.00 C ATOM 991 C LEU A 76 -1.059 -10.817 3.344 1.00 0.00 C ATOM 992 O LEU A 76 -1.132 -10.781 2.116 1.00 0.00 O ATOM 993 CB LEU A 76 1.149 -10.173 4.356 1.00 0.00 C ATOM 994 CG LEU A 76 1.973 -10.402 3.089 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.048 -9.130 2.262 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.369 -10.888 3.445 1.00 0.00 C ATOM 0 H LEU A 76 -0.391 -9.719 6.215 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.301 -8.825 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.643 -9.410 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.152 -11.092 4.942 1.00 0.00 H new ATOM 0 HG LEU A 76 1.480 -11.170 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.639 -9.314 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.042 -8.821 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.517 -8.341 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.943 -11.046 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.868 -10.141 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.298 -11.826 3.996 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.636 -11.752 4.089 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.453 -12.818 3.523 1.00 0.00 C ATOM 1010 C ASN A 77 -3.608 -12.248 2.710 1.00 0.00 C ATOM 1011 O ASN A 77 -3.868 -12.683 1.588 1.00 0.00 O ATOM 1012 CB ASN A 77 -3.014 -13.677 4.655 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.847 -14.843 4.163 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -3.561 -15.436 3.123 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.892 -15.174 4.903 1.00 0.00 N ATOM 0 H ASN A 77 -1.550 -11.792 5.105 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.827 -13.420 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.189 -14.057 5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.624 -13.053 5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.495 -15.946 4.618 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.095 -14.657 5.759 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.287 -11.263 3.285 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.405 -10.614 2.615 1.00 0.00 C ATOM 1024 C GLU A 78 -4.935 -9.911 1.356 1.00 0.00 C ATOM 1025 O GLU A 78 -5.530 -10.073 0.298 1.00 0.00 O ATOM 1026 CB GLU A 78 -6.082 -9.608 3.545 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.826 -10.254 4.695 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.264 -9.248 5.734 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -6.452 -8.934 6.631 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.418 -8.773 5.664 1.00 0.00 O ATOM 0 H GLU A 78 -4.082 -10.897 4.215 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.128 -11.384 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.328 -8.931 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.779 -9.002 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.700 -10.779 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.186 -11.002 5.164 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.849 -9.161 1.471 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.341 -8.376 0.353 1.00 0.00 C ATOM 1039 C ILE A 79 -2.988 -9.277 -0.831 1.00 0.00 C ATOM 1040 O ILE A 79 -3.342 -8.978 -1.970 1.00 0.00 O ATOM 1041 CB ILE A 79 -2.111 -7.536 0.763 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.446 -6.644 1.967 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.625 -6.689 -0.405 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.625 -5.715 1.746 1.00 0.00 C ATOM 0 H ILE A 79 -3.301 -9.079 2.328 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.135 -7.693 0.051 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.311 -8.219 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.655 -7.279 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.569 -6.046 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.758 -6.105 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.347 -7.339 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.421 -6.016 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.794 -5.121 2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.414 -5.052 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.516 -6.304 1.528 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.319 -10.392 -0.554 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.966 -11.347 -1.601 1.00 0.00 C ATOM 1058 C LYS A 80 -3.217 -11.948 -2.228 1.00 0.00 C ATOM 1059 O LYS A 80 -3.313 -12.085 -3.447 1.00 0.00 O ATOM 1060 CB LYS A 80 -1.079 -12.463 -1.047 1.00 0.00 C ATOM 1061 CG LYS A 80 0.251 -11.966 -0.518 1.00 0.00 C ATOM 1062 CD LYS A 80 1.215 -13.111 -0.254 1.00 0.00 C ATOM 1063 CE LYS A 80 2.594 -12.591 0.112 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.566 -13.688 0.345 1.00 0.00 N ATOM 0 H LYS A 80 -2.011 -10.656 0.382 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.411 -10.807 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.611 -12.977 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.898 -13.197 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.694 -11.276 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.090 -11.406 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.832 -13.734 0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.284 -13.743 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.961 -11.947 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.522 -11.976 1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.492 -13.285 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.231 -14.289 1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.657 -14.261 -0.518 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.176 -12.297 -1.383 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.438 -12.862 -1.844 1.00 0.00 C ATOM 1080 C ARG A 81 -6.205 -11.859 -2.701 1.00 0.00 C ATOM 1081 O ARG A 81 -6.736 -12.204 -3.753 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.297 -13.290 -0.651 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.674 -13.805 -1.043 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.579 -15.044 -1.917 1.00 0.00 C ATOM 1085 NE ARG A 81 -8.894 -15.571 -2.272 1.00 0.00 N ATOM 1086 CZ ARG A 81 -9.088 -16.544 -3.160 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -8.058 -17.062 -3.818 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -10.313 -16.990 -3.398 1.00 0.00 N ATOM 0 H ARG A 81 -4.105 -12.199 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.212 -13.737 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.772 -14.068 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.414 -12.442 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.246 -14.036 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.217 -13.024 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.028 -14.804 -2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.010 -15.813 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.712 -15.170 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.115 -16.715 -3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.210 -17.807 -4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.108 -16.588 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.461 -17.735 -4.078 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.257 -10.622 -2.238 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.959 -9.560 -2.944 1.00 0.00 C ATOM 1104 C ILE A 82 -6.313 -9.281 -4.302 1.00 0.00 C ATOM 1105 O ILE A 82 -7.005 -9.011 -5.289 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.980 -8.270 -2.099 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.783 -8.494 -0.812 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.560 -7.108 -2.892 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.649 -7.378 0.202 1.00 0.00 C ATOM 0 H ILE A 82 -5.817 -10.325 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.984 -9.893 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.953 -8.018 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.836 -8.612 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.460 -9.428 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.563 -6.211 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.952 -6.934 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.581 -7.346 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.247 -7.613 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.603 -7.273 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.000 -6.444 -0.236 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.990 -9.371 -4.355 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.254 -9.117 -5.587 1.00 0.00 C ATOM 1123 C LEU A 83 -4.343 -10.303 -6.539 1.00 0.00 C ATOM 1124 O LEU A 83 -4.219 -10.147 -7.755 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.786 -8.814 -5.280 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.523 -7.452 -4.640 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.057 -7.316 -4.259 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -2.930 -6.340 -5.592 1.00 0.00 C ATOM 0 H LEU A 83 -4.404 -9.618 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.708 -8.252 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.403 -9.589 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.217 -8.878 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.121 -7.372 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.888 -6.340 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.792 -8.098 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.439 -7.413 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.738 -5.374 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.352 -6.420 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.992 -6.428 -5.821 1.00 0.00 H new ATOM 1140 N SER A 84 -4.563 -11.484 -5.993 1.00 0.00 N ATOM 1141 CA SER A 84 -4.646 -12.681 -6.808 1.00 0.00 C ATOM 1142 C SER A 84 -6.031 -13.307 -6.676 1.00 0.00 C ATOM 1143 O SER A 84 -6.989 -12.755 -7.267 1.00 0.00 O ATOM 1144 CB SER A 84 -3.553 -13.676 -6.400 1.00 0.00 C ATOM 1145 OG SER A 84 -3.352 -14.670 -7.396 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.163 -14.342 -5.992 1.00 0.00 O ATOM 0 H SER A 84 -4.687 -11.640 -4.993 1.00 0.00 H new ATOM 0 HA SER A 84 -4.489 -12.414 -7.853 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.620 -13.141 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.827 -14.153 -5.459 1.00 0.00 H new ATOM 0 HG SER A 84 -2.648 -15.287 -7.105 1.00 0.00 H new TER 1152 SER A 84