USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 968 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 89 HIS HE2 : A 89 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 113 HIS HE2 : A 113 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 118 HIS HE2 : A 118 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 95 TYR OH : rot -110:sc= -0.633 USER MOD Set 1.2: A 107 LYS NZ :NH3+ 141:sc= 0 (180deg=-0.536) USER MOD Set 2.1: A 93 MET CE :methyl -118:sc= -4.13! (180deg=-6.03!) USER MOD Set 2.2: A 105 MET CE :methyl 156:sc= -4.56! (180deg=-4.7!) USER MOD Single : A 1 GLY N :NH3+ 125:sc= 0.0461 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 91:sc= 0.266 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= -1.28 (180deg=-2.15!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= -0.035 (180deg=-0.266) USER MOD Single : A 27 ASN : amide:sc= -4.83! C(o=-4.8!,f=-8!) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.312 (180deg=-0.718) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0408 (180deg=-0.254) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 18:sc= 0.125 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 1.32 (180deg=-0.608) USER MOD Single : A 50 ASN : amide:sc= -0.238 K(o=-0.24,f=-2!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 146:sc= -0.269 (180deg=-2.37!) USER MOD Single : A 61 ASN : amide:sc= -1.4! C(o=-1.4!,f=-5.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -43:sc= 0.459 USER MOD Single : A 73 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.048) USER MOD Single : A 75 THR OG1 : rot 42:sc= 0.0306 USER MOD Single : A 80 MET CE :methyl -127:sc= -0.902 (180deg=-4.57!) USER MOD Single : A 86 MET CE :methyl 160:sc= -6.96! (180deg=-10!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 151:sc= -1.47! (180deg=-2.78!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.87 X(o=-1.9,f=-1.9) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.3!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 112 SER OG : rot 180:sc= -0.85 USER MOD Single : A 114 MET CE :methyl 155:sc= -0.144 (180deg=-1.13) USER MOD Single : A 116 LYS NZ :NH3+ 169:sc= -0.0177 (180deg=-0.16) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.427 10.408 0.044 1.00 0.00 N ATOM 2 CA GLY A 1 3.070 9.152 -0.292 1.00 0.00 C ATOM 3 C GLY A 1 3.833 8.560 0.877 1.00 0.00 C ATOM 4 O GLY A 1 4.201 9.272 1.811 1.00 0.00 O ATOM 0 H1 GLY A 1 2.729 11.143 -0.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.395 10.294 -0.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.696 10.688 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.316 8.440 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.754 9.309 -1.126 1.00 0.00 H new ATOM 8 N SER A 2 4.069 7.253 0.827 1.00 0.00 N ATOM 9 CA SER A 2 4.787 6.564 1.893 1.00 0.00 C ATOM 10 C SER A 2 6.128 6.037 1.391 1.00 0.00 C ATOM 11 O SER A 2 6.326 5.855 0.190 1.00 0.00 O ATOM 12 CB SER A 2 3.946 5.410 2.441 1.00 0.00 C ATOM 13 OG SER A 2 4.495 4.905 3.646 1.00 0.00 O ATOM 0 H SER A 2 3.773 6.650 0.059 1.00 0.00 H new ATOM 0 HA SER A 2 4.973 7.280 2.694 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.926 5.751 2.618 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.891 4.612 1.700 1.00 0.00 H new ATOM 0 HG SER A 2 3.938 4.170 3.976 1.00 0.00 H new ATOM 19 N SER A 3 7.047 5.794 2.321 1.00 0.00 N ATOM 20 CA SER A 3 8.371 5.292 1.975 1.00 0.00 C ATOM 21 C SER A 3 8.694 4.024 2.760 1.00 0.00 C ATOM 22 O SER A 3 8.104 3.762 3.807 1.00 0.00 O ATOM 23 CB SER A 3 9.432 6.359 2.250 1.00 0.00 C ATOM 24 OG SER A 3 10.564 6.181 1.415 1.00 0.00 O ATOM 0 H SER A 3 6.898 5.937 3.320 1.00 0.00 H new ATOM 0 HA SER A 3 8.374 5.051 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.007 7.349 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.737 6.312 3.296 1.00 0.00 H new ATOM 0 HG SER A 3 11.226 6.877 1.609 1.00 0.00 H new ATOM 30 N GLY A 4 9.636 3.240 2.244 1.00 0.00 N ATOM 31 CA GLY A 4 10.021 2.008 2.908 1.00 0.00 C ATOM 32 C GLY A 4 11.420 2.076 3.487 1.00 0.00 C ATOM 33 O GLY A 4 12.323 1.375 3.030 1.00 0.00 O ATOM 0 H GLY A 4 10.139 3.436 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.311 1.791 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.964 1.183 2.198 1.00 0.00 H new ATOM 37 N SER A 5 11.601 2.922 4.496 1.00 0.00 N ATOM 38 CA SER A 5 12.902 3.082 5.135 1.00 0.00 C ATOM 39 C SER A 5 12.870 2.565 6.570 1.00 0.00 C ATOM 40 O SER A 5 13.588 1.629 6.921 1.00 0.00 O ATOM 41 CB SER A 5 13.324 4.553 5.120 1.00 0.00 C ATOM 42 OG SER A 5 14.531 4.744 5.837 1.00 0.00 O ATOM 0 H SER A 5 10.863 3.507 4.889 1.00 0.00 H new ATOM 0 HA SER A 5 13.630 2.497 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.452 4.887 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.536 5.165 5.558 1.00 0.00 H new ATOM 0 HG SER A 5 14.780 5.691 5.811 1.00 0.00 H new ATOM 48 N SER A 6 12.031 3.183 7.396 1.00 0.00 N ATOM 49 CA SER A 6 11.906 2.789 8.795 1.00 0.00 C ATOM 50 C SER A 6 10.680 1.905 9.003 1.00 0.00 C ATOM 51 O SER A 6 9.691 2.016 8.281 1.00 0.00 O ATOM 52 CB SER A 6 11.814 4.026 9.689 1.00 0.00 C ATOM 53 OG SER A 6 12.188 3.722 11.022 1.00 0.00 O ATOM 0 H SER A 6 11.428 3.958 7.121 1.00 0.00 H new ATOM 0 HA SER A 6 12.794 2.219 9.067 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.461 4.811 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.796 4.415 9.673 1.00 0.00 H new ATOM 0 HG SER A 6 12.122 4.530 11.573 1.00 0.00 H new ATOM 59 N GLY A 7 10.755 1.025 9.997 1.00 0.00 N ATOM 60 CA GLY A 7 9.645 0.134 10.284 1.00 0.00 C ATOM 61 C GLY A 7 8.311 0.854 10.295 1.00 0.00 C ATOM 62 O GLY A 7 8.261 2.083 10.330 1.00 0.00 O ATOM 0 H GLY A 7 11.564 0.913 10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.619 -0.661 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.806 -0.341 11.252 1.00 0.00 H new ATOM 66 N VAL A 8 7.226 0.086 10.263 1.00 0.00 N ATOM 67 CA VAL A 8 5.885 0.658 10.269 1.00 0.00 C ATOM 68 C VAL A 8 5.539 1.233 11.638 1.00 0.00 C ATOM 69 O VAL A 8 6.315 1.114 12.586 1.00 0.00 O ATOM 70 CB VAL A 8 4.826 -0.391 9.882 1.00 0.00 C ATOM 71 CG1 VAL A 8 5.108 -0.947 8.494 1.00 0.00 C ATOM 72 CG2 VAL A 8 4.780 -1.507 10.914 1.00 0.00 C ATOM 0 H VAL A 8 7.250 -0.933 10.233 1.00 0.00 H new ATOM 0 HA VAL A 8 5.879 1.459 9.530 1.00 0.00 H new ATOM 0 HB VAL A 8 3.850 0.093 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.350 -1.687 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.085 -0.136 7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.091 -1.417 8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.026 -2.239 10.625 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.755 -1.992 10.969 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.526 -1.091 11.889 1.00 0.00 H new ATOM 82 N GLU A 9 4.368 1.854 11.734 1.00 0.00 N ATOM 83 CA GLU A 9 3.919 2.448 12.988 1.00 0.00 C ATOM 84 C GLU A 9 2.410 2.292 13.154 1.00 0.00 C ATOM 85 O GLU A 9 1.660 2.315 12.177 1.00 0.00 O ATOM 86 CB GLU A 9 4.299 3.929 13.042 1.00 0.00 C ATOM 87 CG GLU A 9 3.714 4.664 14.236 1.00 0.00 C ATOM 88 CD GLU A 9 4.339 6.030 14.444 1.00 0.00 C ATOM 89 OE1 GLU A 9 4.095 6.927 13.609 1.00 0.00 O ATOM 90 OE2 GLU A 9 5.072 6.202 15.440 1.00 0.00 O ATOM 0 H GLU A 9 3.713 1.959 10.959 1.00 0.00 H new ATOM 0 HA GLU A 9 4.413 1.924 13.806 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.385 4.016 13.069 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.963 4.415 12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.639 4.778 14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.857 4.063 15.134 1.00 0.00 H new ATOM 97 N CYS A 10 1.970 2.135 14.398 1.00 0.00 N ATOM 98 CA CYS A 10 0.552 1.974 14.694 1.00 0.00 C ATOM 99 C CYS A 10 -0.066 3.300 15.128 1.00 0.00 C ATOM 100 O CYS A 10 0.266 3.855 16.175 1.00 0.00 O ATOM 101 CB CYS A 10 0.354 0.924 15.789 1.00 0.00 C ATOM 102 SG CYS A 10 -1.376 0.726 16.325 1.00 0.00 S ATOM 0 H CYS A 10 2.576 2.116 15.218 1.00 0.00 H new ATOM 0 HA CYS A 10 0.052 1.640 13.785 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.724 -0.036 15.428 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.962 1.196 16.652 1.00 0.00 H new ATOM 107 N PRO A 11 -0.988 3.820 14.304 1.00 0.00 N ATOM 108 CA PRO A 11 -1.673 5.086 14.581 1.00 0.00 C ATOM 109 C PRO A 11 -2.641 4.977 15.755 1.00 0.00 C ATOM 110 O PRO A 11 -3.386 5.913 16.049 1.00 0.00 O ATOM 111 CB PRO A 11 -2.435 5.369 13.284 1.00 0.00 C ATOM 112 CG PRO A 11 -2.639 4.030 12.665 1.00 0.00 C ATOM 113 CD PRO A 11 -1.433 3.213 13.039 1.00 0.00 C ATOM 0 HA PRO A 11 -0.974 5.874 14.861 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.386 5.862 13.483 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.867 6.027 12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.554 3.566 13.032 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.735 4.111 11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.685 2.160 13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.659 3.266 12.274 1.00 0.00 H new ATOM 121 N THR A 12 -2.627 3.827 16.423 1.00 0.00 N ATOM 122 CA THR A 12 -3.504 3.595 17.564 1.00 0.00 C ATOM 123 C THR A 12 -2.750 3.760 18.879 1.00 0.00 C ATOM 124 O THR A 12 -3.148 4.545 19.740 1.00 0.00 O ATOM 125 CB THR A 12 -4.127 2.188 17.515 1.00 0.00 C ATOM 126 OG1 THR A 12 -4.492 1.859 16.170 1.00 0.00 O ATOM 127 CG2 THR A 12 -5.354 2.108 18.412 1.00 0.00 C ATOM 0 H THR A 12 -2.018 3.042 16.193 1.00 0.00 H new ATOM 0 HA THR A 12 -4.299 4.338 17.509 1.00 0.00 H new ATOM 0 HB THR A 12 -3.385 1.474 17.874 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.744 1.405 15.730 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.777 1.105 18.361 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.068 2.330 19.440 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.097 2.832 18.078 1.00 0.00 H new ATOM 135 N CYS A 13 -1.659 3.016 19.028 1.00 0.00 N ATOM 136 CA CYS A 13 -0.849 3.080 20.238 1.00 0.00 C ATOM 137 C CYS A 13 0.572 3.532 19.918 1.00 0.00 C ATOM 138 O CYS A 13 1.482 3.383 20.734 1.00 0.00 O ATOM 139 CB CYS A 13 -0.819 1.715 20.928 1.00 0.00 C ATOM 140 SG CYS A 13 -0.173 0.368 19.885 1.00 0.00 S ATOM 0 H CYS A 13 -1.316 2.361 18.325 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.300 3.810 20.910 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.208 1.788 21.828 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.829 1.460 21.248 1.00 0.00 H new ATOM 145 N HIS A 14 0.756 4.086 18.723 1.00 0.00 N ATOM 146 CA HIS A 14 2.067 4.562 18.295 1.00 0.00 C ATOM 147 C HIS A 14 3.121 3.470 18.456 1.00 0.00 C ATOM 148 O HIS A 14 4.294 3.755 18.698 1.00 0.00 O ATOM 149 CB HIS A 14 2.471 5.799 19.097 1.00 0.00 C ATOM 150 CG HIS A 14 1.414 6.859 19.135 1.00 0.00 C ATOM 151 ND1 HIS A 14 0.758 7.310 18.009 1.00 0.00 N ATOM 152 CD2 HIS A 14 0.898 7.558 20.174 1.00 0.00 C ATOM 153 CE1 HIS A 14 -0.114 8.241 18.353 1.00 0.00 C ATOM 154 NE2 HIS A 14 -0.049 8.409 19.661 1.00 0.00 N ATOM 0 H HIS A 14 0.015 4.216 18.035 1.00 0.00 H new ATOM 0 HA HIS A 14 2.003 4.828 17.240 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.710 5.499 20.117 1.00 0.00 H new ATOM 0 HB3 HIS A 14 3.380 6.219 18.668 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.179 7.463 21.212 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.768 8.774 17.679 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.612 9.065 20.203 1.00 0.00 H new ATOM 162 N LYS A 15 2.694 2.218 18.322 1.00 0.00 N ATOM 163 CA LYS A 15 3.600 1.083 18.453 1.00 0.00 C ATOM 164 C LYS A 15 4.172 0.685 17.096 1.00 0.00 C ATOM 165 O LYS A 15 3.437 0.281 16.195 1.00 0.00 O ATOM 166 CB LYS A 15 2.871 -0.108 19.080 1.00 0.00 C ATOM 167 CG LYS A 15 3.780 -1.284 19.389 1.00 0.00 C ATOM 168 CD LYS A 15 3.168 -2.203 20.433 1.00 0.00 C ATOM 169 CE LYS A 15 4.143 -3.291 20.858 1.00 0.00 C ATOM 170 NZ LYS A 15 3.437 -4.491 21.386 1.00 0.00 N ATOM 0 H LYS A 15 1.726 1.964 18.123 1.00 0.00 H new ATOM 0 HA LYS A 15 4.424 1.380 19.102 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.386 0.217 20.001 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.082 -0.437 18.404 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.972 -1.847 18.475 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.743 -0.917 19.745 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.871 -1.619 21.304 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.263 -2.660 20.032 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.761 -3.578 20.007 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.815 -2.899 21.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.135 -5.210 21.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.867 -4.222 22.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.815 -4.880 20.649 1.00 0.00 H new ATOM 184 N LYS A 16 5.488 0.801 16.958 1.00 0.00 N ATOM 185 CA LYS A 16 6.161 0.451 15.712 1.00 0.00 C ATOM 186 C LYS A 16 6.529 -1.029 15.690 1.00 0.00 C ATOM 187 O LYS A 16 6.652 -1.664 16.737 1.00 0.00 O ATOM 188 CB LYS A 16 7.419 1.303 15.531 1.00 0.00 C ATOM 189 CG LYS A 16 7.127 2.752 15.180 1.00 0.00 C ATOM 190 CD LYS A 16 8.232 3.352 14.328 1.00 0.00 C ATOM 191 CE LYS A 16 8.308 4.862 14.496 1.00 0.00 C ATOM 192 NZ LYS A 16 7.453 5.574 13.505 1.00 0.00 N ATOM 0 H LYS A 16 6.111 1.135 17.694 1.00 0.00 H new ATOM 0 HA LYS A 16 5.474 0.649 14.889 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.004 1.271 16.450 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.035 0.865 14.746 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.179 2.814 14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.015 3.334 16.095 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.188 2.906 14.603 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.057 3.110 13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.996 5.131 15.505 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.342 5.188 14.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.994 6.350 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.152 4.908 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.615 5.961 13.984 1.00 0.00 H new ATOM 206 N PHE A 17 6.704 -1.573 14.490 1.00 0.00 N ATOM 207 CA PHE A 17 7.058 -2.978 14.332 1.00 0.00 C ATOM 208 C PHE A 17 8.096 -3.156 13.228 1.00 0.00 C ATOM 209 O PHE A 17 8.502 -2.191 12.579 1.00 0.00 O ATOM 210 CB PHE A 17 5.812 -3.808 14.014 1.00 0.00 C ATOM 211 CG PHE A 17 4.817 -3.850 15.139 1.00 0.00 C ATOM 212 CD1 PHE A 17 3.960 -2.785 15.362 1.00 0.00 C ATOM 213 CD2 PHE A 17 4.740 -4.954 15.972 1.00 0.00 C ATOM 214 CE1 PHE A 17 3.043 -2.820 16.396 1.00 0.00 C ATOM 215 CE2 PHE A 17 3.825 -4.995 17.007 1.00 0.00 C ATOM 216 CZ PHE A 17 2.976 -3.927 17.220 1.00 0.00 C ATOM 0 H PHE A 17 6.606 -1.062 13.613 1.00 0.00 H new ATOM 0 HA PHE A 17 7.488 -3.326 15.271 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.329 -3.398 13.127 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.116 -4.826 13.770 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.009 -1.917 14.721 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.402 -5.792 15.811 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.380 -1.983 16.559 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.774 -5.862 17.649 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.261 -3.957 18.029 1.00 0.00 H new ATOM 226 N LEU A 18 8.523 -4.397 13.020 1.00 0.00 N ATOM 227 CA LEU A 18 9.515 -4.704 11.995 1.00 0.00 C ATOM 228 C LEU A 18 8.969 -4.405 10.602 1.00 0.00 C ATOM 229 O LEU A 18 9.564 -3.640 9.842 1.00 0.00 O ATOM 230 CB LEU A 18 9.934 -6.172 12.086 1.00 0.00 C ATOM 231 CG LEU A 18 10.790 -6.552 13.295 1.00 0.00 C ATOM 232 CD1 LEU A 18 9.936 -6.622 14.552 1.00 0.00 C ATOM 233 CD2 LEU A 18 11.496 -7.878 13.053 1.00 0.00 C ATOM 0 H LEU A 18 8.198 -5.207 13.548 1.00 0.00 H new ATOM 0 HA LEU A 18 10.386 -4.072 12.167 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.034 -6.786 12.096 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.485 -6.429 11.181 1.00 0.00 H new ATOM 0 HG LEU A 18 11.547 -5.781 13.437 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.562 -6.894 15.402 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.477 -5.650 14.735 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.156 -7.372 14.421 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.100 -8.133 13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.755 -8.659 12.885 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.139 -7.793 12.177 1.00 0.00 H new ATOM 245 N SER A 19 7.832 -5.010 10.275 1.00 0.00 N ATOM 246 CA SER A 19 7.206 -4.810 8.973 1.00 0.00 C ATOM 247 C SER A 19 5.688 -4.739 9.105 1.00 0.00 C ATOM 248 O SER A 19 5.125 -5.101 10.139 1.00 0.00 O ATOM 249 CB SER A 19 7.594 -5.940 8.018 1.00 0.00 C ATOM 250 OG SER A 19 9.002 -6.062 7.917 1.00 0.00 O ATOM 0 H SER A 19 7.325 -5.643 10.894 1.00 0.00 H new ATOM 0 HA SER A 19 7.563 -3.863 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.169 -6.880 8.370 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.171 -5.748 7.032 1.00 0.00 H new ATOM 0 HG SER A 19 9.224 -6.792 7.302 1.00 0.00 H new ATOM 256 N LYS A 20 5.030 -4.271 8.050 1.00 0.00 N ATOM 257 CA LYS A 20 3.576 -4.153 8.045 1.00 0.00 C ATOM 258 C LYS A 20 2.926 -5.419 8.591 1.00 0.00 C ATOM 259 O LYS A 20 2.158 -5.370 9.553 1.00 0.00 O ATOM 260 CB LYS A 20 3.071 -3.878 6.627 1.00 0.00 C ATOM 261 CG LYS A 20 3.161 -2.417 6.222 1.00 0.00 C ATOM 262 CD LYS A 20 2.005 -1.609 6.789 1.00 0.00 C ATOM 263 CE LYS A 20 1.693 -0.399 5.923 1.00 0.00 C ATOM 264 NZ LYS A 20 2.799 0.598 5.942 1.00 0.00 N ATOM 0 H LYS A 20 5.480 -3.967 7.187 1.00 0.00 H new ATOM 0 HA LYS A 20 3.302 -3.318 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.647 -4.478 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.034 -4.204 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.105 -1.999 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.162 -2.339 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.120 -2.241 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.250 -1.281 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.514 -0.723 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.774 0.071 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.547 1.407 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.953 0.927 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.670 0.157 5.583 1.00 0.00 H new ATOM 278 N TYR A 21 3.238 -6.553 7.973 1.00 0.00 N ATOM 279 CA TYR A 21 2.683 -7.833 8.397 1.00 0.00 C ATOM 280 C TYR A 21 2.450 -7.853 9.905 1.00 0.00 C ATOM 281 O TYR A 21 1.312 -7.928 10.368 1.00 0.00 O ATOM 282 CB TYR A 21 3.618 -8.976 7.999 1.00 0.00 C ATOM 283 CG TYR A 21 3.435 -10.226 8.830 1.00 0.00 C ATOM 284 CD1 TYR A 21 2.197 -10.850 8.917 1.00 0.00 C ATOM 285 CD2 TYR A 21 4.500 -10.783 9.526 1.00 0.00 C ATOM 286 CE1 TYR A 21 2.024 -11.992 9.676 1.00 0.00 C ATOM 287 CE2 TYR A 21 4.338 -11.926 10.285 1.00 0.00 C ATOM 288 CZ TYR A 21 3.098 -12.526 10.357 1.00 0.00 C ATOM 289 OH TYR A 21 2.931 -13.664 11.113 1.00 0.00 O ATOM 0 H TYR A 21 3.872 -6.612 7.177 1.00 0.00 H new ATOM 0 HA TYR A 21 1.724 -7.967 7.897 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.453 -9.220 6.950 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.650 -8.638 8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.355 -10.436 8.382 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.472 -10.315 9.473 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.054 -12.463 9.735 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.177 -12.347 10.819 1.00 0.00 H new ATOM 0 HH TYR A 21 3.785 -13.910 11.527 1.00 0.00 H new ATOM 299 N TYR A 22 3.537 -7.785 10.666 1.00 0.00 N ATOM 300 CA TYR A 22 3.453 -7.797 12.121 1.00 0.00 C ATOM 301 C TYR A 22 2.441 -6.769 12.617 1.00 0.00 C ATOM 302 O TYR A 22 1.581 -7.076 13.444 1.00 0.00 O ATOM 303 CB TYR A 22 4.826 -7.515 12.734 1.00 0.00 C ATOM 304 CG TYR A 22 5.677 -8.752 12.910 1.00 0.00 C ATOM 305 CD1 TYR A 22 5.196 -9.857 13.603 1.00 0.00 C ATOM 306 CD2 TYR A 22 6.961 -8.817 12.384 1.00 0.00 C ATOM 307 CE1 TYR A 22 5.970 -10.990 13.766 1.00 0.00 C ATOM 308 CE2 TYR A 22 7.742 -9.946 12.542 1.00 0.00 C ATOM 309 CZ TYR A 22 7.242 -11.029 13.234 1.00 0.00 C ATOM 310 OH TYR A 22 8.017 -12.155 13.394 1.00 0.00 O ATOM 0 H TYR A 22 4.486 -7.721 10.299 1.00 0.00 H new ATOM 0 HA TYR A 22 3.120 -8.787 12.432 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.358 -6.805 12.101 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.690 -7.037 13.704 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.201 -9.829 14.021 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.356 -7.970 11.842 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.581 -11.840 14.307 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.738 -9.980 12.126 1.00 0.00 H new ATOM 0 HH TYR A 22 8.884 -12.020 12.959 1.00 0.00 H new ATOM 320 N LEU A 23 2.550 -5.548 12.106 1.00 0.00 N ATOM 321 CA LEU A 23 1.644 -4.473 12.496 1.00 0.00 C ATOM 322 C LEU A 23 0.190 -4.878 12.275 1.00 0.00 C ATOM 323 O LEU A 23 -0.613 -4.885 13.208 1.00 0.00 O ATOM 324 CB LEU A 23 1.957 -3.203 11.702 1.00 0.00 C ATOM 325 CG LEU A 23 0.914 -2.088 11.780 1.00 0.00 C ATOM 326 CD1 LEU A 23 0.953 -1.415 13.144 1.00 0.00 C ATOM 327 CD2 LEU A 23 1.140 -1.068 10.674 1.00 0.00 C ATOM 0 H LEU A 23 3.256 -5.277 11.421 1.00 0.00 H new ATOM 0 HA LEU A 23 1.790 -4.276 13.558 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.910 -2.806 12.051 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.090 -3.477 10.655 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.073 -2.530 11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.204 -0.624 13.181 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.742 -2.151 13.919 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.941 -0.987 13.310 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.388 -0.282 10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.133 -0.631 10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.061 -1.559 9.704 1.00 0.00 H new ATOM 339 N LYS A 24 -0.142 -5.218 11.034 1.00 0.00 N ATOM 340 CA LYS A 24 -1.498 -5.629 10.690 1.00 0.00 C ATOM 341 C LYS A 24 -2.063 -6.577 11.742 1.00 0.00 C ATOM 342 O LYS A 24 -3.086 -6.291 12.365 1.00 0.00 O ATOM 343 CB LYS A 24 -1.514 -6.306 9.317 1.00 0.00 C ATOM 344 CG LYS A 24 -1.189 -5.364 8.171 1.00 0.00 C ATOM 345 CD LYS A 24 -1.681 -5.913 6.842 1.00 0.00 C ATOM 346 CE LYS A 24 -1.538 -4.887 5.728 1.00 0.00 C ATOM 347 NZ LYS A 24 -2.440 -3.719 5.930 1.00 0.00 N ATOM 0 H LYS A 24 0.510 -5.217 10.249 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.124 -4.737 10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.796 -7.126 9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.498 -6.744 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.647 -4.392 8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.112 -5.205 8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.117 -6.810 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.726 -6.209 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.505 -4.544 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.762 -5.357 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.506 -3.175 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.386 -4.054 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.058 -3.112 6.683 1.00 0.00 H new ATOM 361 N VAL A 25 -1.390 -7.706 11.938 1.00 0.00 N ATOM 362 CA VAL A 25 -1.823 -8.695 12.918 1.00 0.00 C ATOM 363 C VAL A 25 -2.007 -8.063 14.293 1.00 0.00 C ATOM 364 O VAL A 25 -2.899 -8.445 15.051 1.00 0.00 O ATOM 365 CB VAL A 25 -0.816 -9.855 13.029 1.00 0.00 C ATOM 366 CG1 VAL A 25 -1.258 -10.846 14.095 1.00 0.00 C ATOM 367 CG2 VAL A 25 -0.650 -10.546 11.683 1.00 0.00 C ATOM 0 H VAL A 25 -0.542 -7.959 11.431 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.779 -9.086 12.570 1.00 0.00 H new ATOM 0 HB VAL A 25 0.151 -9.447 13.325 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.534 -11.658 14.159 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.322 -10.340 15.058 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.235 -11.251 13.833 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.065 -11.363 11.779 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.612 -10.942 11.356 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.284 -9.829 10.948 1.00 0.00 H new ATOM 377 N HIS A 26 -1.156 -7.091 14.610 1.00 0.00 N ATOM 378 CA HIS A 26 -1.225 -6.404 15.894 1.00 0.00 C ATOM 379 C HIS A 26 -2.452 -5.500 15.962 1.00 0.00 C ATOM 380 O HIS A 26 -3.359 -5.729 16.761 1.00 0.00 O ATOM 381 CB HIS A 26 0.043 -5.580 16.124 1.00 0.00 C ATOM 382 CG HIS A 26 -0.180 -4.358 16.961 1.00 0.00 C ATOM 383 ND1 HIS A 26 0.022 -4.333 18.324 1.00 0.00 N ATOM 384 CD2 HIS A 26 -0.590 -3.114 16.619 1.00 0.00 C ATOM 385 CE1 HIS A 26 -0.255 -3.126 18.786 1.00 0.00 C ATOM 386 NE2 HIS A 26 -0.628 -2.367 17.771 1.00 0.00 N ATOM 0 H HIS A 26 -0.411 -6.762 13.995 1.00 0.00 H new ATOM 0 HA HIS A 26 -1.307 -7.158 16.677 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.792 -6.208 16.606 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.451 -5.280 15.159 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.336 -5.123 18.888 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.841 -2.773 15.625 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.188 -2.813 19.818 1.00 0.00 H new ATOM 394 N ASN A 27 -2.472 -4.473 15.119 1.00 0.00 N ATOM 395 CA ASN A 27 -3.588 -3.534 15.084 1.00 0.00 C ATOM 396 C ASN A 27 -4.910 -4.251 15.341 1.00 0.00 C ATOM 397 O ASN A 27 -5.739 -3.785 16.123 1.00 0.00 O ATOM 398 CB ASN A 27 -3.636 -2.818 13.734 1.00 0.00 C ATOM 399 CG ASN A 27 -4.550 -3.513 12.743 1.00 0.00 C ATOM 400 OD1 ASN A 27 -4.088 -4.197 11.830 1.00 0.00 O ATOM 401 ND2 ASN A 27 -5.855 -3.340 12.920 1.00 0.00 N ATOM 0 H ASN A 27 -1.729 -4.270 14.451 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.436 -2.797 15.873 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.977 -1.793 13.881 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.630 -2.763 13.319 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.519 -3.783 12.285 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.193 -2.764 13.691 1.00 0.00 H new ATOM 408 N ARG A 28 -5.100 -5.387 14.677 1.00 0.00 N ATOM 409 CA ARG A 28 -6.321 -6.167 14.832 1.00 0.00 C ATOM 410 C ARG A 28 -6.854 -6.065 16.258 1.00 0.00 C ATOM 411 O ARG A 28 -8.049 -5.861 16.473 1.00 0.00 O ATOM 412 CB ARG A 28 -6.063 -7.633 14.476 1.00 0.00 C ATOM 413 CG ARG A 28 -6.059 -7.905 12.981 1.00 0.00 C ATOM 414 CD ARG A 28 -5.641 -9.335 12.676 1.00 0.00 C ATOM 415 NE ARG A 28 -6.735 -10.280 12.881 1.00 0.00 N ATOM 416 CZ ARG A 28 -7.636 -10.575 11.950 1.00 0.00 C ATOM 417 NH1 ARG A 28 -7.573 -10.002 10.757 1.00 0.00 N ATOM 418 NH2 ARG A 28 -8.602 -11.446 12.213 1.00 0.00 N ATOM 0 H ARG A 28 -4.424 -5.787 14.027 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.071 -5.761 14.153 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.103 -7.936 14.894 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.826 -8.252 14.947 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.053 -7.721 12.574 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.378 -7.212 12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.295 -9.399 11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.800 -9.610 13.312 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.812 -10.739 13.789 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.831 -9.333 10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.266 -10.230 10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.653 -11.889 13.130 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.293 -11.672 11.498 1.00 0.00 H new ATOM 432 N LYS A 29 -5.960 -6.209 17.230 1.00 0.00 N ATOM 433 CA LYS A 29 -6.338 -6.133 18.636 1.00 0.00 C ATOM 434 C LYS A 29 -7.256 -4.941 18.888 1.00 0.00 C ATOM 435 O LYS A 29 -8.368 -5.097 19.396 1.00 0.00 O ATOM 436 CB LYS A 29 -5.091 -6.025 19.516 1.00 0.00 C ATOM 437 CG LYS A 29 -4.391 -7.353 19.745 1.00 0.00 C ATOM 438 CD LYS A 29 -4.922 -8.057 20.982 1.00 0.00 C ATOM 439 CE LYS A 29 -4.110 -7.701 22.218 1.00 0.00 C ATOM 440 NZ LYS A 29 -4.437 -6.338 22.722 1.00 0.00 N ATOM 0 H LYS A 29 -4.967 -6.379 17.070 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.877 -7.045 18.892 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.390 -5.329 19.055 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.373 -5.601 20.480 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.529 -7.993 18.874 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.319 -7.187 19.852 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.965 -7.782 21.139 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.897 -9.136 20.827 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.301 -8.434 23.002 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.047 -7.756 21.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.097 -6.239 23.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.976 -5.626 22.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.467 -6.197 22.698 1.00 0.00 H new ATOM 454 N HIS A 30 -6.786 -3.751 18.530 1.00 0.00 N ATOM 455 CA HIS A 30 -7.566 -2.532 18.715 1.00 0.00 C ATOM 456 C HIS A 30 -8.977 -2.701 18.160 1.00 0.00 C ATOM 457 O HIS A 30 -9.961 -2.381 18.827 1.00 0.00 O ATOM 458 CB HIS A 30 -6.875 -1.350 18.035 1.00 0.00 C ATOM 459 CG HIS A 30 -5.529 -1.031 18.610 1.00 0.00 C ATOM 460 ND1 HIS A 30 -5.334 -0.709 19.936 1.00 0.00 N ATOM 461 CD2 HIS A 30 -4.306 -0.988 18.030 1.00 0.00 C ATOM 462 CE1 HIS A 30 -4.050 -0.480 20.147 1.00 0.00 C ATOM 463 NE2 HIS A 30 -3.405 -0.643 19.007 1.00 0.00 N ATOM 0 H HIS A 30 -5.868 -3.604 18.110 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.637 -2.334 19.785 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.765 -1.566 16.972 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.514 -0.470 18.117 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.067 -0.656 20.644 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.081 -1.188 16.993 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.604 -0.206 21.092 1.00 0.00 H new ATOM 471 N THR A 31 -9.068 -3.204 16.933 1.00 0.00 N ATOM 472 CA THR A 31 -10.358 -3.413 16.287 1.00 0.00 C ATOM 473 C THR A 31 -10.363 -4.703 15.475 1.00 0.00 C ATOM 474 O THR A 31 -9.432 -4.976 14.718 1.00 0.00 O ATOM 475 CB THR A 31 -10.720 -2.236 15.361 1.00 0.00 C ATOM 476 OG1 THR A 31 -11.964 -2.495 14.702 1.00 0.00 O ATOM 477 CG2 THR A 31 -9.630 -2.007 14.325 1.00 0.00 C ATOM 0 H THR A 31 -8.264 -3.474 16.367 1.00 0.00 H new ATOM 0 HA THR A 31 -11.101 -3.483 17.081 1.00 0.00 H new ATOM 0 HB THR A 31 -10.813 -1.338 15.972 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.187 -1.741 14.117 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.908 -1.171 13.683 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.691 -1.780 14.829 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.509 -2.905 13.719 1.00 0.00 H new ATOM 485 N GLY A 32 -11.420 -5.494 15.636 1.00 0.00 N ATOM 486 CA GLY A 32 -11.527 -6.746 14.910 1.00 0.00 C ATOM 487 C GLY A 32 -12.930 -7.001 14.396 1.00 0.00 C ATOM 488 O GLY A 32 -13.410 -8.133 14.420 1.00 0.00 O ATOM 0 H GLY A 32 -12.204 -5.290 16.256 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.832 -6.736 14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.227 -7.567 15.562 1.00 0.00 H new ATOM 492 N GLU A 33 -13.589 -5.944 13.931 1.00 0.00 N ATOM 493 CA GLU A 33 -14.947 -6.059 13.412 1.00 0.00 C ATOM 494 C GLU A 33 -14.947 -6.057 11.886 1.00 0.00 C ATOM 495 O GLU A 33 -14.133 -5.383 11.254 1.00 0.00 O ATOM 496 CB GLU A 33 -15.815 -4.913 13.934 1.00 0.00 C ATOM 497 CG GLU A 33 -17.247 -4.953 13.426 1.00 0.00 C ATOM 498 CD GLU A 33 -17.427 -4.190 12.128 1.00 0.00 C ATOM 499 OE1 GLU A 33 -16.872 -3.078 12.011 1.00 0.00 O ATOM 500 OE2 GLU A 33 -18.123 -4.707 11.229 1.00 0.00 O ATOM 0 H GLU A 33 -13.205 -4.999 13.903 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.362 -7.006 13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.824 -4.943 15.024 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.362 -3.965 13.645 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.547 -5.990 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.909 -4.535 14.184 1.00 0.00 H new ATOM 507 N LYS A 34 -15.866 -6.817 11.299 1.00 0.00 N ATOM 508 CA LYS A 34 -15.975 -6.904 9.848 1.00 0.00 C ATOM 509 C LYS A 34 -17.256 -7.625 9.441 1.00 0.00 C ATOM 510 O LYS A 34 -17.519 -8.755 9.853 1.00 0.00 O ATOM 511 CB LYS A 34 -14.761 -7.633 9.268 1.00 0.00 C ATOM 512 CG LYS A 34 -14.281 -8.792 10.123 1.00 0.00 C ATOM 513 CD LYS A 34 -14.769 -10.125 9.581 1.00 0.00 C ATOM 514 CE LYS A 34 -14.400 -11.273 10.508 1.00 0.00 C ATOM 515 NZ LYS A 34 -15.094 -11.169 11.822 1.00 0.00 N ATOM 0 H LYS A 34 -16.547 -7.382 11.807 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.007 -5.890 9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.012 -8.005 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.945 -6.921 9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.192 -8.791 10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.636 -8.662 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.851 -10.093 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.337 -10.298 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.659 -12.220 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.322 -11.280 10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.025 -12.077 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.647 -10.423 12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.095 -10.934 11.668 1.00 0.00 H new ATOM 529 N PRO A 35 -18.073 -6.959 8.611 1.00 0.00 N ATOM 530 CA PRO A 35 -19.339 -7.518 8.129 1.00 0.00 C ATOM 531 C PRO A 35 -19.129 -8.672 7.154 1.00 0.00 C ATOM 532 O PRO A 35 -19.709 -9.746 7.314 1.00 0.00 O ATOM 533 CB PRO A 35 -20.003 -6.334 7.421 1.00 0.00 C ATOM 534 CG PRO A 35 -18.872 -5.454 7.014 1.00 0.00 C ATOM 535 CD PRO A 35 -17.822 -5.609 8.079 1.00 0.00 C ATOM 0 HA PRO A 35 -19.935 -7.936 8.940 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -20.580 -6.662 6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -20.692 -5.812 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.483 -5.744 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -19.195 -4.416 6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.816 -5.520 7.668 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -17.919 -4.848 8.853 1.00 0.00 H new ATOM 543 N PHE A 36 -18.296 -8.443 6.144 1.00 0.00 N ATOM 544 CA PHE A 36 -18.010 -9.464 5.143 1.00 0.00 C ATOM 545 C PHE A 36 -16.516 -9.523 4.837 1.00 0.00 C ATOM 546 O PHE A 36 -15.838 -8.496 4.805 1.00 0.00 O ATOM 547 CB PHE A 36 -18.793 -9.183 3.859 1.00 0.00 C ATOM 548 CG PHE A 36 -20.271 -9.030 4.080 1.00 0.00 C ATOM 549 CD1 PHE A 36 -21.103 -10.139 4.084 1.00 0.00 C ATOM 550 CD2 PHE A 36 -20.829 -7.778 4.284 1.00 0.00 C ATOM 551 CE1 PHE A 36 -22.463 -10.001 4.286 1.00 0.00 C ATOM 552 CE2 PHE A 36 -22.189 -7.634 4.487 1.00 0.00 C ATOM 553 CZ PHE A 36 -23.006 -8.747 4.489 1.00 0.00 C ATOM 0 H PHE A 36 -17.807 -7.560 5.997 1.00 0.00 H new ATOM 0 HA PHE A 36 -18.319 -10.428 5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -18.406 -8.274 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -18.621 -9.995 3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -20.683 -11.122 3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -20.194 -6.904 4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -23.101 -10.873 4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -22.612 -6.653 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 36 -24.068 -8.637 4.649 1.00 0.00 H new ATOM 563 N GLU A 37 -16.011 -10.732 4.615 1.00 0.00 N ATOM 564 CA GLU A 37 -14.597 -10.925 4.314 1.00 0.00 C ATOM 565 C GLU A 37 -14.416 -11.894 3.149 1.00 0.00 C ATOM 566 O GLU A 37 -14.922 -13.017 3.176 1.00 0.00 O ATOM 567 CB GLU A 37 -13.857 -11.448 5.547 1.00 0.00 C ATOM 568 CG GLU A 37 -12.361 -11.610 5.336 1.00 0.00 C ATOM 569 CD GLU A 37 -11.685 -12.333 6.484 1.00 0.00 C ATOM 570 OE1 GLU A 37 -11.452 -11.694 7.532 1.00 0.00 O ATOM 571 OE2 GLU A 37 -11.388 -13.536 6.336 1.00 0.00 O ATOM 0 H GLU A 37 -16.559 -11.592 4.638 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.177 -9.960 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.026 -10.764 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.281 -12.410 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.186 -12.160 4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.907 -10.627 5.213 1.00 0.00 H new ATOM 578 N CYS A 38 -13.692 -11.452 2.126 1.00 0.00 N ATOM 579 CA CYS A 38 -13.444 -12.278 0.951 1.00 0.00 C ATOM 580 C CYS A 38 -13.144 -13.719 1.352 1.00 0.00 C ATOM 581 O CYS A 38 -12.116 -14.019 1.961 1.00 0.00 O ATOM 582 CB CYS A 38 -12.279 -11.709 0.139 1.00 0.00 C ATOM 583 SG CYS A 38 -12.315 -12.156 -1.627 1.00 0.00 S ATOM 0 H CYS A 38 -13.267 -10.526 2.087 1.00 0.00 H new ATOM 0 HA CYS A 38 -14.344 -12.271 0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.284 -10.623 0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -11.342 -12.060 0.573 1.00 0.00 H new ATOM 588 N PRO A 39 -14.061 -14.634 1.003 1.00 0.00 N ATOM 589 CA PRO A 39 -13.916 -16.059 1.316 1.00 0.00 C ATOM 590 C PRO A 39 -12.806 -16.720 0.506 1.00 0.00 C ATOM 591 O PRO A 39 -12.529 -17.909 0.667 1.00 0.00 O ATOM 592 CB PRO A 39 -15.277 -16.645 0.935 1.00 0.00 C ATOM 593 CG PRO A 39 -15.817 -15.713 -0.094 1.00 0.00 C ATOM 594 CD PRO A 39 -15.309 -14.347 0.277 1.00 0.00 C ATOM 0 HA PRO A 39 -13.643 -16.222 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -15.176 -17.656 0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.938 -16.706 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.482 -15.996 -1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.907 -15.734 -0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.129 -13.732 -0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.022 -13.809 0.901 1.00 0.00 H new ATOM 602 N LYS A 40 -12.172 -15.942 -0.365 1.00 0.00 N ATOM 603 CA LYS A 40 -11.090 -16.451 -1.199 1.00 0.00 C ATOM 604 C LYS A 40 -9.732 -16.164 -0.565 1.00 0.00 C ATOM 605 O LYS A 40 -8.876 -17.045 -0.480 1.00 0.00 O ATOM 606 CB LYS A 40 -11.156 -15.825 -2.594 1.00 0.00 C ATOM 607 CG LYS A 40 -12.351 -16.285 -3.411 1.00 0.00 C ATOM 608 CD LYS A 40 -12.041 -16.290 -4.899 1.00 0.00 C ATOM 609 CE LYS A 40 -11.478 -17.631 -5.346 1.00 0.00 C ATOM 610 NZ LYS A 40 -11.364 -17.718 -6.828 1.00 0.00 N ATOM 0 H LYS A 40 -12.389 -14.956 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.209 -17.531 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.190 -14.740 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.241 -16.067 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.644 -17.287 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.200 -15.629 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.948 -16.069 -5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.325 -15.500 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.496 -17.781 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.120 -18.434 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.977 -18.646 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.305 -17.601 -7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.731 -16.968 -7.172 1.00 0.00 H new ATOM 624 N CYS A 41 -9.543 -14.926 -0.120 1.00 0.00 N ATOM 625 CA CYS A 41 -8.290 -14.522 0.507 1.00 0.00 C ATOM 626 C CYS A 41 -8.489 -14.256 1.997 1.00 0.00 C ATOM 627 O CYS A 41 -7.677 -14.665 2.825 1.00 0.00 O ATOM 628 CB CYS A 41 -7.733 -13.272 -0.176 1.00 0.00 C ATOM 629 SG CYS A 41 -8.897 -11.871 -0.225 1.00 0.00 S ATOM 0 H CYS A 41 -10.242 -14.185 -0.182 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.576 -15.338 0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.827 -12.960 0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.444 -13.526 -1.196 1.00 0.00 H new ATOM 634 N GLY A 42 -9.576 -13.567 2.329 1.00 0.00 N ATOM 635 CA GLY A 42 -9.863 -13.258 3.718 1.00 0.00 C ATOM 636 C GLY A 42 -9.734 -11.778 4.021 1.00 0.00 C ATOM 637 O GLY A 42 -9.296 -11.394 5.105 1.00 0.00 O ATOM 0 H GLY A 42 -10.263 -13.217 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.873 -13.588 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.183 -13.818 4.360 1.00 0.00 H new ATOM 641 N LYS A 43 -10.116 -10.944 3.060 1.00 0.00 N ATOM 642 CA LYS A 43 -10.042 -9.497 3.228 1.00 0.00 C ATOM 643 C LYS A 43 -11.391 -8.929 3.655 1.00 0.00 C ATOM 644 O LYS A 43 -12.393 -9.092 2.958 1.00 0.00 O ATOM 645 CB LYS A 43 -9.587 -8.835 1.925 1.00 0.00 C ATOM 646 CG LYS A 43 -9.378 -7.335 2.046 1.00 0.00 C ATOM 647 CD LYS A 43 -8.028 -7.008 2.663 1.00 0.00 C ATOM 648 CE LYS A 43 -7.865 -5.513 2.888 1.00 0.00 C ATOM 649 NZ LYS A 43 -6.432 -5.110 2.927 1.00 0.00 N ATOM 0 H LYS A 43 -10.480 -11.245 2.156 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.314 -9.284 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.656 -9.298 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.329 -9.029 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.449 -6.876 1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.172 -6.904 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.924 -7.533 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.232 -7.368 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.374 -4.969 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.347 -5.232 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.364 -4.084 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.952 -5.610 3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.978 -5.354 2.024 1.00 0.00 H new ATOM 663 N CYS A 44 -11.409 -8.260 4.803 1.00 0.00 N ATOM 664 CA CYS A 44 -12.636 -7.667 5.323 1.00 0.00 C ATOM 665 C CYS A 44 -13.002 -6.407 4.545 1.00 0.00 C ATOM 666 O CYS A 44 -12.128 -5.661 4.104 1.00 0.00 O ATOM 667 CB CYS A 44 -12.478 -7.337 6.808 1.00 0.00 C ATOM 668 SG CYS A 44 -11.355 -5.960 7.143 1.00 0.00 S ATOM 0 H CYS A 44 -10.588 -8.115 5.391 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.441 -8.392 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.458 -7.102 7.223 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.115 -8.223 7.329 1.00 0.00 H new ATOM 0 HG CYS A 44 -11.174 -5.273 6.054 1.00 0.00 H new ATOM 674 N TYR A 45 -14.300 -6.176 4.380 1.00 0.00 N ATOM 675 CA TYR A 45 -14.782 -5.009 3.652 1.00 0.00 C ATOM 676 C TYR A 45 -16.088 -4.494 4.251 1.00 0.00 C ATOM 677 O TYR A 45 -17.103 -5.191 4.247 1.00 0.00 O ATOM 678 CB TYR A 45 -14.985 -5.350 2.175 1.00 0.00 C ATOM 679 CG TYR A 45 -13.737 -5.186 1.338 1.00 0.00 C ATOM 680 CD1 TYR A 45 -13.288 -3.925 0.965 1.00 0.00 C ATOM 681 CD2 TYR A 45 -13.006 -6.291 0.920 1.00 0.00 C ATOM 682 CE1 TYR A 45 -12.148 -3.770 0.200 1.00 0.00 C ATOM 683 CE2 TYR A 45 -11.864 -6.146 0.156 1.00 0.00 C ATOM 684 CZ TYR A 45 -11.439 -4.883 -0.201 1.00 0.00 C ATOM 685 OH TYR A 45 -10.303 -4.734 -0.963 1.00 0.00 O ATOM 0 H TYR A 45 -15.037 -6.782 4.741 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.030 -4.224 3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -15.334 -6.379 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -15.771 -4.713 1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.840 -3.051 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -13.336 -7.281 1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.814 -2.783 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.307 -7.016 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.923 -5.616 -1.159 1.00 0.00 H new ATOM 695 N PHE A 46 -16.054 -3.269 4.764 1.00 0.00 N ATOM 696 CA PHE A 46 -17.233 -2.659 5.367 1.00 0.00 C ATOM 697 C PHE A 46 -18.436 -2.761 4.433 1.00 0.00 C ATOM 698 O PHE A 46 -19.516 -3.191 4.838 1.00 0.00 O ATOM 699 CB PHE A 46 -16.959 -1.193 5.706 1.00 0.00 C ATOM 700 CG PHE A 46 -17.866 -0.643 6.769 1.00 0.00 C ATOM 701 CD1 PHE A 46 -17.843 -1.161 8.054 1.00 0.00 C ATOM 702 CD2 PHE A 46 -18.743 0.391 6.483 1.00 0.00 C ATOM 703 CE1 PHE A 46 -18.677 -0.657 9.034 1.00 0.00 C ATOM 704 CE2 PHE A 46 -19.578 0.899 7.460 1.00 0.00 C ATOM 705 CZ PHE A 46 -19.546 0.374 8.736 1.00 0.00 C ATOM 0 H PHE A 46 -15.222 -2.679 4.774 1.00 0.00 H new ATOM 0 HA PHE A 46 -17.461 -3.200 6.285 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -15.925 -1.092 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -17.067 -0.593 4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -17.166 -1.968 8.292 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -18.774 0.804 5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -18.649 -1.069 10.032 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -20.255 1.707 7.225 1.00 0.00 H new ATOM 0 HZ PHE A 46 -20.199 0.769 9.500 1.00 0.00 H new ATOM 715 N ARG A 47 -18.240 -2.362 3.180 1.00 0.00 N ATOM 716 CA ARG A 47 -19.307 -2.406 2.189 1.00 0.00 C ATOM 717 C ARG A 47 -19.235 -3.691 1.369 1.00 0.00 C ATOM 718 O ARG A 47 -18.152 -4.214 1.108 1.00 0.00 O ATOM 719 CB ARG A 47 -19.222 -1.191 1.262 1.00 0.00 C ATOM 720 CG ARG A 47 -19.813 0.074 1.861 1.00 0.00 C ATOM 721 CD ARG A 47 -18.828 0.764 2.791 1.00 0.00 C ATOM 722 NE ARG A 47 -17.610 1.169 2.095 1.00 0.00 N ATOM 723 CZ ARG A 47 -16.672 1.937 2.640 1.00 0.00 C ATOM 724 NH1 ARG A 47 -16.813 2.380 3.882 1.00 0.00 N ATOM 725 NH2 ARG A 47 -15.592 2.262 1.942 1.00 0.00 N ATOM 0 H ARG A 47 -17.352 -2.005 2.828 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.260 -2.385 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.177 -1.010 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.740 -1.418 0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -20.099 0.757 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.722 -0.173 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.301 1.641 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.571 0.092 3.610 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.471 0.845 1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.643 2.131 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.092 2.969 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.481 1.923 0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.872 2.851 2.361 1.00 0.00 H new ATOM 739 N LYS A 48 -20.397 -4.195 0.965 1.00 0.00 N ATOM 740 CA LYS A 48 -20.467 -5.417 0.174 1.00 0.00 C ATOM 741 C LYS A 48 -19.956 -5.179 -1.244 1.00 0.00 C ATOM 742 O LYS A 48 -19.151 -5.952 -1.761 1.00 0.00 O ATOM 743 CB LYS A 48 -21.905 -5.938 0.128 1.00 0.00 C ATOM 744 CG LYS A 48 -22.020 -7.366 -0.375 1.00 0.00 C ATOM 745 CD LYS A 48 -21.654 -8.370 0.706 1.00 0.00 C ATOM 746 CE LYS A 48 -21.433 -9.758 0.125 1.00 0.00 C ATOM 747 NZ LYS A 48 -21.284 -10.788 1.191 1.00 0.00 N ATOM 0 H LYS A 48 -21.303 -3.775 1.173 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.831 -6.164 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -22.336 -5.878 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -22.498 -5.287 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.039 -7.552 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -21.366 -7.503 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.750 -8.041 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -22.448 -8.409 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -22.273 -10.020 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.541 -9.752 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.575 -11.490 0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.976 -10.332 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.197 -11.262 1.346 1.00 0.00 H new ATOM 761 N GLU A 49 -20.430 -4.103 -1.865 1.00 0.00 N ATOM 762 CA GLU A 49 -20.020 -3.764 -3.223 1.00 0.00 C ATOM 763 C GLU A 49 -18.513 -3.930 -3.393 1.00 0.00 C ATOM 764 O GLU A 49 -18.055 -4.717 -4.221 1.00 0.00 O ATOM 765 CB GLU A 49 -20.427 -2.327 -3.558 1.00 0.00 C ATOM 766 CG GLU A 49 -21.879 -2.189 -3.982 1.00 0.00 C ATOM 767 CD GLU A 49 -22.101 -1.033 -4.938 1.00 0.00 C ATOM 768 OE1 GLU A 49 -21.203 -0.765 -5.763 1.00 0.00 O ATOM 769 OE2 GLU A 49 -23.173 -0.397 -4.860 1.00 0.00 O ATOM 0 H GLU A 49 -21.097 -3.452 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 49 -20.523 -4.446 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -20.250 -1.696 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -19.787 -1.954 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.205 -3.115 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -22.500 -2.048 -3.097 1.00 0.00 H new ATOM 776 N ASN A 50 -17.748 -3.183 -2.604 1.00 0.00 N ATOM 777 CA ASN A 50 -16.292 -3.247 -2.668 1.00 0.00 C ATOM 778 C ASN A 50 -15.810 -4.694 -2.656 1.00 0.00 C ATOM 779 O ASN A 50 -15.076 -5.123 -3.548 1.00 0.00 O ATOM 780 CB ASN A 50 -15.676 -2.482 -1.495 1.00 0.00 C ATOM 781 CG ASN A 50 -14.240 -2.072 -1.763 1.00 0.00 C ATOM 782 OD1 ASN A 50 -13.505 -2.767 -2.463 1.00 0.00 O ATOM 783 ND2 ASN A 50 -13.835 -0.937 -1.205 1.00 0.00 N ATOM 0 H ASN A 50 -18.112 -2.527 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.973 -2.785 -3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -16.273 -1.593 -1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.713 -3.103 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.880 -0.610 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.479 -0.392 -0.632 1.00 0.00 H new ATOM 790 N LEU A 51 -16.227 -5.442 -1.641 1.00 0.00 N ATOM 791 CA LEU A 51 -15.838 -6.843 -1.512 1.00 0.00 C ATOM 792 C LEU A 51 -16.014 -7.580 -2.836 1.00 0.00 C ATOM 793 O LEU A 51 -15.092 -8.238 -3.320 1.00 0.00 O ATOM 794 CB LEU A 51 -16.667 -7.524 -0.422 1.00 0.00 C ATOM 795 CG LEU A 51 -16.644 -9.053 -0.418 1.00 0.00 C ATOM 796 CD1 LEU A 51 -15.348 -9.566 0.190 1.00 0.00 C ATOM 797 CD2 LEU A 51 -17.845 -9.602 0.338 1.00 0.00 C ATOM 0 H LEU A 51 -16.834 -5.103 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.785 -6.879 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -16.314 -7.173 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.702 -7.196 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 51 -16.699 -9.401 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.350 -10.656 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.503 -9.201 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.261 -9.209 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -17.813 -10.691 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -17.821 -9.245 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -18.763 -9.263 -0.142 1.00 0.00 H new ATOM 809 N LEU A 52 -17.203 -7.465 -3.418 1.00 0.00 N ATOM 810 CA LEU A 52 -17.500 -8.119 -4.688 1.00 0.00 C ATOM 811 C LEU A 52 -16.566 -7.623 -5.787 1.00 0.00 C ATOM 812 O LEU A 52 -15.934 -8.417 -6.482 1.00 0.00 O ATOM 813 CB LEU A 52 -18.955 -7.867 -5.086 1.00 0.00 C ATOM 814 CG LEU A 52 -20.011 -8.258 -4.052 1.00 0.00 C ATOM 815 CD1 LEU A 52 -21.352 -7.625 -4.393 1.00 0.00 C ATOM 816 CD2 LEU A 52 -20.140 -9.772 -3.967 1.00 0.00 C ATOM 0 H LEU A 52 -17.977 -6.925 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.345 -9.191 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.071 -6.807 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -19.158 -8.412 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 52 -19.694 -7.885 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -22.091 -7.914 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -21.250 -6.540 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.676 -7.967 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.896 -10.032 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.434 -10.167 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.182 -10.203 -3.675 1.00 0.00 H new ATOM 828 N GLU A 53 -16.484 -6.304 -5.937 1.00 0.00 N ATOM 829 CA GLU A 53 -15.626 -5.703 -6.951 1.00 0.00 C ATOM 830 C GLU A 53 -14.197 -6.226 -6.834 1.00 0.00 C ATOM 831 O GLU A 53 -13.526 -6.459 -7.840 1.00 0.00 O ATOM 832 CB GLU A 53 -15.635 -4.179 -6.820 1.00 0.00 C ATOM 833 CG GLU A 53 -17.009 -3.559 -7.017 1.00 0.00 C ATOM 834 CD GLU A 53 -16.970 -2.043 -7.020 1.00 0.00 C ATOM 835 OE1 GLU A 53 -16.429 -1.466 -7.987 1.00 0.00 O ATOM 836 OE2 GLU A 53 -17.479 -1.434 -6.057 1.00 0.00 O ATOM 0 H GLU A 53 -17.001 -5.632 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.016 -5.979 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.260 -3.905 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.946 -3.756 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.430 -3.910 -7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.674 -3.900 -6.224 1.00 0.00 H new ATOM 843 N HIS A 54 -13.739 -6.408 -5.600 1.00 0.00 N ATOM 844 CA HIS A 54 -12.390 -6.904 -5.351 1.00 0.00 C ATOM 845 C HIS A 54 -12.237 -8.337 -5.850 1.00 0.00 C ATOM 846 O HIS A 54 -11.223 -8.689 -6.453 1.00 0.00 O ATOM 847 CB HIS A 54 -12.066 -6.834 -3.858 1.00 0.00 C ATOM 848 CG HIS A 54 -11.105 -7.889 -3.404 1.00 0.00 C ATOM 849 ND1 HIS A 54 -9.781 -7.629 -3.119 1.00 0.00 N ATOM 850 CD2 HIS A 54 -11.282 -9.213 -3.185 1.00 0.00 C ATOM 851 CE1 HIS A 54 -9.185 -8.748 -2.745 1.00 0.00 C ATOM 852 NE2 HIS A 54 -10.075 -9.724 -2.776 1.00 0.00 N ATOM 0 H HIS A 54 -14.282 -6.220 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 54 -11.690 -6.271 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.650 -5.853 -3.631 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -12.991 -6.928 -3.289 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -9.332 -6.716 -3.186 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -12.202 -9.765 -3.309 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.147 -8.848 -2.462 1.00 0.00 H new ATOM 860 N GLU A 55 -13.249 -9.159 -5.594 1.00 0.00 N ATOM 861 CA GLU A 55 -13.225 -10.555 -6.017 1.00 0.00 C ATOM 862 C GLU A 55 -12.958 -10.665 -7.515 1.00 0.00 C ATOM 863 O GLU A 55 -12.020 -11.338 -7.942 1.00 0.00 O ATOM 864 CB GLU A 55 -14.550 -11.238 -5.673 1.00 0.00 C ATOM 865 CG GLU A 55 -14.705 -11.555 -4.195 1.00 0.00 C ATOM 866 CD GLU A 55 -16.050 -12.175 -3.869 1.00 0.00 C ATOM 867 OE1 GLU A 55 -17.071 -11.463 -3.964 1.00 0.00 O ATOM 868 OE2 GLU A 55 -16.081 -13.374 -3.520 1.00 0.00 O ATOM 0 H GLU A 55 -14.095 -8.883 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.417 -11.056 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.373 -10.595 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.632 -12.162 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.911 -12.236 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.581 -10.640 -3.616 1.00 0.00 H new ATOM 875 N ALA A 56 -13.790 -9.999 -8.309 1.00 0.00 N ATOM 876 CA ALA A 56 -13.643 -10.020 -9.759 1.00 0.00 C ATOM 877 C ALA A 56 -12.437 -9.199 -10.201 1.00 0.00 C ATOM 878 O ALA A 56 -11.603 -9.670 -10.975 1.00 0.00 O ATOM 879 CB ALA A 56 -14.910 -9.502 -10.425 1.00 0.00 C ATOM 0 H ALA A 56 -14.573 -9.438 -7.972 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.479 -11.052 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.787 -9.523 -11.508 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.753 -10.133 -10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.099 -8.478 -10.101 1.00 0.00 H new ATOM 885 N ARG A 57 -12.351 -7.969 -9.706 1.00 0.00 N ATOM 886 CA ARG A 57 -11.247 -7.081 -10.052 1.00 0.00 C ATOM 887 C ARG A 57 -9.904 -7.750 -9.773 1.00 0.00 C ATOM 888 O ARG A 57 -9.126 -8.009 -10.690 1.00 0.00 O ATOM 889 CB ARG A 57 -11.350 -5.773 -9.265 1.00 0.00 C ATOM 890 CG ARG A 57 -10.383 -4.700 -9.738 1.00 0.00 C ATOM 891 CD ARG A 57 -9.051 -4.792 -9.011 1.00 0.00 C ATOM 892 NE ARG A 57 -8.214 -3.619 -9.251 1.00 0.00 N ATOM 893 CZ ARG A 57 -7.172 -3.292 -8.495 1.00 0.00 C ATOM 894 NH1 ARG A 57 -6.840 -4.046 -7.456 1.00 0.00 N ATOM 895 NH2 ARG A 57 -6.460 -2.209 -8.777 1.00 0.00 N ATOM 0 H ARG A 57 -13.032 -7.564 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.311 -6.862 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.368 -5.392 -9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.165 -5.978 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.221 -4.802 -10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.821 -3.716 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.229 -4.898 -7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.522 -5.688 -9.336 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.442 -3.018 -10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.385 -4.879 -7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.039 -3.793 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.712 -1.626 -9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.660 -1.959 -8.196 1.00 0.00 H new ATOM 909 N ASN A 58 -9.639 -8.026 -8.500 1.00 0.00 N ATOM 910 CA ASN A 58 -8.390 -8.664 -8.100 1.00 0.00 C ATOM 911 C ASN A 58 -8.485 -9.201 -6.676 1.00 0.00 C ATOM 912 O ASN A 58 -8.928 -8.501 -5.764 1.00 0.00 O ATOM 913 CB ASN A 58 -7.230 -7.672 -8.207 1.00 0.00 C ATOM 914 CG ASN A 58 -5.880 -8.339 -8.025 1.00 0.00 C ATOM 915 OD1 ASN A 58 -5.510 -9.233 -8.786 1.00 0.00 O ATOM 916 ND2 ASN A 58 -5.137 -7.906 -7.013 1.00 0.00 N ATOM 0 H ASN A 58 -10.272 -7.818 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.207 -9.501 -8.773 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.262 -7.183 -9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.351 -6.893 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.219 -8.317 -6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.484 -7.162 -6.407 1.00 0.00 H new ATOM 923 N CYS A 59 -8.066 -10.449 -6.490 1.00 0.00 N ATOM 924 CA CYS A 59 -8.103 -11.081 -5.177 1.00 0.00 C ATOM 925 C CYS A 59 -6.692 -11.297 -4.637 1.00 0.00 C ATOM 926 O CYS A 59 -5.830 -11.843 -5.325 1.00 0.00 O ATOM 927 CB CYS A 59 -8.841 -12.419 -5.254 1.00 0.00 C ATOM 928 SG CYS A 59 -9.403 -13.051 -3.640 1.00 0.00 S ATOM 0 H CYS A 59 -7.697 -11.042 -7.233 1.00 0.00 H new ATOM 0 HA CYS A 59 -8.636 -10.417 -4.496 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.705 -12.308 -5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.185 -13.158 -5.713 1.00 0.00 H new ATOM 933 N MET A 60 -6.465 -10.862 -3.402 1.00 0.00 N ATOM 934 CA MET A 60 -5.159 -11.009 -2.769 1.00 0.00 C ATOM 935 C MET A 60 -4.507 -12.329 -3.166 1.00 0.00 C ATOM 936 O MET A 60 -5.191 -13.329 -3.382 1.00 0.00 O ATOM 937 CB MET A 60 -5.295 -10.932 -1.247 1.00 0.00 C ATOM 938 CG MET A 60 -3.972 -10.719 -0.529 1.00 0.00 C ATOM 939 SD MET A 60 -4.187 -10.169 1.175 1.00 0.00 S ATOM 940 CE MET A 60 -5.065 -11.564 1.874 1.00 0.00 C ATOM 0 H MET A 60 -7.167 -10.405 -2.820 1.00 0.00 H new ATOM 0 HA MET A 60 -4.523 -10.193 -3.112 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.973 -10.118 -0.992 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.752 -11.853 -0.884 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.405 -11.650 -0.537 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.382 -9.981 -1.073 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.766 -11.699 2.913 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.138 -11.379 1.826 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.826 -12.465 1.308 1.00 0.00 H new ATOM 950 N ASN A 61 -3.182 -12.325 -3.261 1.00 0.00 N ATOM 951 CA ASN A 61 -2.438 -13.523 -3.634 1.00 0.00 C ATOM 952 C ASN A 61 -1.155 -13.643 -2.818 1.00 0.00 C ATOM 953 O ASN A 61 -0.824 -12.757 -2.029 1.00 0.00 O ATOM 954 CB ASN A 61 -2.105 -13.498 -5.127 1.00 0.00 C ATOM 955 CG ASN A 61 -1.188 -12.348 -5.496 1.00 0.00 C ATOM 956 OD1 ASN A 61 -0.289 -11.988 -4.736 1.00 0.00 O ATOM 957 ND2 ASN A 61 -1.412 -11.765 -6.668 1.00 0.00 N ATOM 0 H ASN A 61 -2.601 -11.506 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.065 -14.389 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.633 -14.440 -5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.028 -13.421 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.827 -10.986 -6.970 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.169 -12.097 -7.266 1.00 0.00 H new ATOM 964 N ARG A 62 -0.436 -14.743 -3.013 1.00 0.00 N ATOM 965 CA ARG A 62 0.811 -14.979 -2.295 1.00 0.00 C ATOM 966 C ARG A 62 1.959 -14.197 -2.927 1.00 0.00 C ATOM 967 O ARG A 62 1.826 -13.662 -4.027 1.00 0.00 O ATOM 968 CB ARG A 62 1.143 -16.472 -2.283 1.00 0.00 C ATOM 969 CG ARG A 62 0.141 -17.313 -1.508 1.00 0.00 C ATOM 970 CD ARG A 62 0.251 -17.070 -0.011 1.00 0.00 C ATOM 971 NE ARG A 62 -0.535 -15.915 0.415 1.00 0.00 N ATOM 972 CZ ARG A 62 -0.161 -15.089 1.385 1.00 0.00 C ATOM 973 NH1 ARG A 62 0.982 -15.289 2.026 1.00 0.00 N ATOM 974 NH2 ARG A 62 -0.930 -14.060 1.716 1.00 0.00 N ATOM 0 H ARG A 62 -0.695 -15.485 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 62 0.681 -14.634 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.190 -16.833 -3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.134 -16.612 -1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.869 -17.078 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.309 -18.369 -1.720 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.087 -17.956 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.297 -16.915 0.255 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.420 -15.733 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.576 -16.079 1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.267 -14.653 2.771 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.810 -13.902 1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.641 -13.426 2.461 1.00 0.00 H new ATOM 988 N SER A 63 3.084 -14.135 -2.222 1.00 0.00 N ATOM 989 CA SER A 63 4.253 -13.415 -2.712 1.00 0.00 C ATOM 990 C SER A 63 4.853 -14.115 -3.927 1.00 0.00 C ATOM 991 O SER A 63 4.691 -15.322 -4.103 1.00 0.00 O ATOM 992 CB SER A 63 5.305 -13.296 -1.607 1.00 0.00 C ATOM 993 OG SER A 63 6.312 -12.363 -1.959 1.00 0.00 O ATOM 0 H SER A 63 3.210 -14.574 -1.310 1.00 0.00 H new ATOM 0 HA SER A 63 3.935 -12.416 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.827 -12.986 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.756 -14.271 -1.424 1.00 0.00 H new ATOM 0 HG SER A 63 6.971 -12.304 -1.236 1.00 0.00 H new ATOM 999 N GLU A 64 5.547 -13.347 -4.762 1.00 0.00 N ATOM 1000 CA GLU A 64 6.170 -13.894 -5.962 1.00 0.00 C ATOM 1001 C GLU A 64 7.641 -13.496 -6.040 1.00 0.00 C ATOM 1002 O GLU A 64 8.141 -12.758 -5.190 1.00 0.00 O ATOM 1003 CB GLU A 64 5.433 -13.410 -7.212 1.00 0.00 C ATOM 1004 CG GLU A 64 4.265 -14.297 -7.611 1.00 0.00 C ATOM 1005 CD GLU A 64 3.000 -13.979 -6.838 1.00 0.00 C ATOM 1006 OE1 GLU A 64 2.414 -12.902 -7.074 1.00 0.00 O ATOM 1007 OE2 GLU A 64 2.597 -14.809 -5.996 1.00 0.00 O ATOM 0 H GLU A 64 5.692 -12.346 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 64 6.107 -14.981 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.067 -12.398 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.138 -13.357 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.073 -14.181 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.534 -15.341 -7.447 1.00 0.00 H new ATOM 1014 N GLN A 65 8.328 -13.990 -7.064 1.00 0.00 N ATOM 1015 CA GLN A 65 9.742 -13.687 -7.253 1.00 0.00 C ATOM 1016 C GLN A 65 10.057 -12.261 -6.813 1.00 0.00 C ATOM 1017 O GLN A 65 9.604 -11.297 -7.429 1.00 0.00 O ATOM 1018 CB GLN A 65 10.136 -13.880 -8.718 1.00 0.00 C ATOM 1019 CG GLN A 65 11.540 -13.395 -9.040 1.00 0.00 C ATOM 1020 CD GLN A 65 12.170 -14.152 -10.193 1.00 0.00 C ATOM 1021 OE1 GLN A 65 12.693 -15.252 -10.016 1.00 0.00 O ATOM 1022 NE2 GLN A 65 12.122 -13.565 -11.383 1.00 0.00 N ATOM 0 H GLN A 65 7.929 -14.602 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 65 10.320 -14.374 -6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.059 -14.938 -8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.424 -13.350 -9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.506 -12.333 -9.283 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.168 -13.500 -8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.678 -12.652 -11.484 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.529 -14.027 -12.196 1.00 0.00 H new ATOM 1031 N VAL A 66 10.835 -12.136 -5.743 1.00 0.00 N ATOM 1032 CA VAL A 66 11.211 -10.827 -5.221 1.00 0.00 C ATOM 1033 C VAL A 66 12.393 -10.247 -5.990 1.00 0.00 C ATOM 1034 O VAL A 66 13.013 -10.931 -6.804 1.00 0.00 O ATOM 1035 CB VAL A 66 11.574 -10.903 -3.726 1.00 0.00 C ATOM 1036 CG1 VAL A 66 10.356 -11.286 -2.899 1.00 0.00 C ATOM 1037 CG2 VAL A 66 12.711 -11.888 -3.503 1.00 0.00 C ATOM 0 H VAL A 66 11.217 -12.924 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 66 10.346 -10.176 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 66 11.909 -9.918 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.632 -11.335 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.574 -10.539 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.988 -12.259 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.954 -11.929 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.407 -12.878 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.588 -11.565 -4.064 1.00 0.00 H new ATOM 1047 N PHE A 67 12.699 -8.981 -5.727 1.00 0.00 N ATOM 1048 CA PHE A 67 13.807 -8.308 -6.395 1.00 0.00 C ATOM 1049 C PHE A 67 14.887 -7.912 -5.392 1.00 0.00 C ATOM 1050 O PHE A 67 14.726 -8.090 -4.184 1.00 0.00 O ATOM 1051 CB PHE A 67 13.304 -7.067 -7.136 1.00 0.00 C ATOM 1052 CG PHE A 67 12.359 -7.382 -8.260 1.00 0.00 C ATOM 1053 CD1 PHE A 67 11.139 -7.989 -8.007 1.00 0.00 C ATOM 1054 CD2 PHE A 67 12.690 -7.072 -9.569 1.00 0.00 C ATOM 1055 CE1 PHE A 67 10.267 -8.280 -9.039 1.00 0.00 C ATOM 1056 CE2 PHE A 67 11.822 -7.360 -10.605 1.00 0.00 C ATOM 1057 CZ PHE A 67 10.609 -7.966 -10.340 1.00 0.00 C ATOM 0 H PHE A 67 12.196 -8.400 -5.056 1.00 0.00 H new ATOM 0 HA PHE A 67 14.241 -9.002 -7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 67 12.805 -6.407 -6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 67 14.159 -6.519 -7.533 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.867 -8.237 -6.992 1.00 0.00 H new ATOM 0 HD2 PHE A 67 13.638 -6.600 -9.782 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.319 -8.753 -8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.092 -7.112 -11.621 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.930 -8.194 -11.148 1.00 0.00 H new ATOM 1067 N THR A 68 15.991 -7.375 -5.902 1.00 0.00 N ATOM 1068 CA THR A 68 17.099 -6.956 -5.054 1.00 0.00 C ATOM 1069 C THR A 68 17.722 -5.660 -5.563 1.00 0.00 C ATOM 1070 O THR A 68 18.146 -5.574 -6.715 1.00 0.00 O ATOM 1071 CB THR A 68 18.190 -8.041 -4.977 1.00 0.00 C ATOM 1072 OG1 THR A 68 17.642 -9.249 -4.439 1.00 0.00 O ATOM 1073 CG2 THR A 68 19.354 -7.577 -4.115 1.00 0.00 C ATOM 0 H THR A 68 16.141 -7.220 -6.899 1.00 0.00 H new ATOM 0 HA THR A 68 16.689 -6.792 -4.057 1.00 0.00 H new ATOM 0 HB THR A 68 18.558 -8.228 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.341 -9.934 -4.395 1.00 0.00 H new ATOM 0 HG21 THR A 68 20.112 -8.359 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 68 19.787 -6.674 -4.544 1.00 0.00 H new ATOM 0 HG23 THR A 68 18.998 -7.365 -3.107 1.00 0.00 H new ATOM 1081 N CYS A 69 17.775 -4.654 -4.696 1.00 0.00 N ATOM 1082 CA CYS A 69 18.346 -3.363 -5.057 1.00 0.00 C ATOM 1083 C CYS A 69 19.798 -3.515 -5.501 1.00 0.00 C ATOM 1084 O CYS A 69 20.462 -4.494 -5.161 1.00 0.00 O ATOM 1085 CB CYS A 69 18.261 -2.396 -3.874 1.00 0.00 C ATOM 1086 SG CYS A 69 18.664 -0.670 -4.295 1.00 0.00 S ATOM 0 H CYS A 69 17.429 -4.709 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 69 17.771 -2.959 -5.890 1.00 0.00 H new ATOM 0 HB2 CYS A 69 17.253 -2.432 -3.460 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.939 -2.736 -3.091 1.00 0.00 H new ATOM 1091 N SER A 70 20.284 -2.539 -6.261 1.00 0.00 N ATOM 1092 CA SER A 70 21.656 -2.566 -6.755 1.00 0.00 C ATOM 1093 C SER A 70 22.542 -1.622 -5.947 1.00 0.00 C ATOM 1094 O SER A 70 23.650 -1.284 -6.363 1.00 0.00 O ATOM 1095 CB SER A 70 21.696 -2.179 -8.234 1.00 0.00 C ATOM 1096 OG SER A 70 22.964 -2.459 -8.801 1.00 0.00 O ATOM 0 H SER A 70 19.748 -1.720 -6.548 1.00 0.00 H new ATOM 0 HA SER A 70 22.037 -3.581 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.923 -2.724 -8.777 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.473 -1.118 -8.341 1.00 0.00 H new ATOM 0 HG SER A 70 23.669 -2.179 -8.181 1.00 0.00 H new ATOM 1102 N VAL A 71 22.045 -1.201 -4.788 1.00 0.00 N ATOM 1103 CA VAL A 71 22.791 -0.298 -3.920 1.00 0.00 C ATOM 1104 C VAL A 71 22.860 -0.837 -2.496 1.00 0.00 C ATOM 1105 O VAL A 71 23.922 -0.838 -1.871 1.00 0.00 O ATOM 1106 CB VAL A 71 22.159 1.107 -3.895 1.00 0.00 C ATOM 1107 CG1 VAL A 71 22.981 2.048 -3.028 1.00 0.00 C ATOM 1108 CG2 VAL A 71 22.022 1.654 -5.308 1.00 0.00 C ATOM 0 H VAL A 71 21.129 -1.471 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 71 23.799 -0.228 -4.328 1.00 0.00 H new ATOM 0 HB VAL A 71 21.162 1.030 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 71 22.519 3.035 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 71 23.023 1.661 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 71 23.992 2.123 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 71 21.574 2.647 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 71 23.007 1.717 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.387 0.991 -5.895 1.00 0.00 H new ATOM 1118 N CYS A 72 21.722 -1.295 -1.986 1.00 0.00 N ATOM 1119 CA CYS A 72 21.651 -1.838 -0.635 1.00 0.00 C ATOM 1120 C CYS A 72 21.240 -3.307 -0.660 1.00 0.00 C ATOM 1121 O CYS A 72 21.345 -4.007 0.347 1.00 0.00 O ATOM 1122 CB CYS A 72 20.661 -1.033 0.209 1.00 0.00 C ATOM 1123 SG CYS A 72 18.970 -0.990 -0.468 1.00 0.00 S ATOM 0 H CYS A 72 20.835 -1.301 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 72 22.642 -1.765 -0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 72 20.628 -1.456 1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 72 21.029 -0.011 0.305 1.00 0.00 H new ATOM 1128 N GLN A 73 20.771 -3.765 -1.816 1.00 0.00 N ATOM 1129 CA GLN A 73 20.344 -5.151 -1.971 1.00 0.00 C ATOM 1130 C GLN A 73 19.035 -5.403 -1.230 1.00 0.00 C ATOM 1131 O GLN A 73 18.791 -6.505 -0.741 1.00 0.00 O ATOM 1132 CB GLN A 73 21.426 -6.101 -1.457 1.00 0.00 C ATOM 1133 CG GLN A 73 22.816 -5.784 -1.985 1.00 0.00 C ATOM 1134 CD GLN A 73 22.836 -5.575 -3.487 1.00 0.00 C ATOM 1135 OE1 GLN A 73 22.751 -6.530 -4.259 1.00 0.00 O ATOM 1136 NE2 GLN A 73 22.947 -4.321 -3.909 1.00 0.00 N ATOM 0 H GLN A 73 20.677 -3.198 -2.658 1.00 0.00 H new ATOM 0 HA GLN A 73 20.181 -5.338 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 73 21.443 -6.063 -0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 73 21.164 -7.121 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 73 23.192 -4.887 -1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 73 23.493 -6.598 -1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 73 23.015 -3.560 -3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 73 22.964 -4.119 -4.909 1.00 0.00 H new ATOM 1145 N GLU A 74 18.198 -4.373 -1.150 1.00 0.00 N ATOM 1146 CA GLU A 74 16.915 -4.484 -0.467 1.00 0.00 C ATOM 1147 C GLU A 74 16.074 -5.608 -1.066 1.00 0.00 C ATOM 1148 O GLU A 74 16.535 -6.347 -1.937 1.00 0.00 O ATOM 1149 CB GLU A 74 16.151 -3.161 -0.551 1.00 0.00 C ATOM 1150 CG GLU A 74 15.325 -2.855 0.687 1.00 0.00 C ATOM 1151 CD GLU A 74 15.985 -3.340 1.963 1.00 0.00 C ATOM 1152 OE1 GLU A 74 15.791 -4.521 2.320 1.00 0.00 O ATOM 1153 OE2 GLU A 74 16.695 -2.538 2.605 1.00 0.00 O ATOM 0 H GLU A 74 18.386 -3.453 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 74 17.110 -4.718 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.862 -2.350 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.493 -3.186 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.161 -1.779 0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.345 -3.321 0.590 1.00 0.00 H new ATOM 1160 N THR A 75 14.838 -5.732 -0.593 1.00 0.00 N ATOM 1161 CA THR A 75 13.934 -6.766 -1.079 1.00 0.00 C ATOM 1162 C THR A 75 12.595 -6.171 -1.500 1.00 0.00 C ATOM 1163 O THR A 75 11.963 -5.437 -0.740 1.00 0.00 O ATOM 1164 CB THR A 75 13.689 -7.847 -0.010 1.00 0.00 C ATOM 1165 OG1 THR A 75 13.372 -7.232 1.244 1.00 0.00 O ATOM 1166 CG2 THR A 75 14.912 -8.737 0.151 1.00 0.00 C ATOM 0 H THR A 75 14.440 -5.128 0.127 1.00 0.00 H new ATOM 0 HA THR A 75 14.414 -7.224 -1.944 1.00 0.00 H new ATOM 0 HB THR A 75 12.851 -8.464 -0.334 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.763 -6.479 1.094 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.715 -9.493 0.911 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.133 -9.226 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.766 -8.131 0.455 1.00 0.00 H new ATOM 1174 N PHE A 76 12.166 -6.493 -2.716 1.00 0.00 N ATOM 1175 CA PHE A 76 10.901 -5.990 -3.239 1.00 0.00 C ATOM 1176 C PHE A 76 10.107 -7.106 -3.911 1.00 0.00 C ATOM 1177 O PHE A 76 10.562 -7.705 -4.886 1.00 0.00 O ATOM 1178 CB PHE A 76 11.151 -4.856 -4.235 1.00 0.00 C ATOM 1179 CG PHE A 76 12.182 -3.867 -3.770 1.00 0.00 C ATOM 1180 CD1 PHE A 76 13.533 -4.124 -3.937 1.00 0.00 C ATOM 1181 CD2 PHE A 76 11.800 -2.679 -3.167 1.00 0.00 C ATOM 1182 CE1 PHE A 76 14.484 -3.216 -3.511 1.00 0.00 C ATOM 1183 CE2 PHE A 76 12.746 -1.768 -2.739 1.00 0.00 C ATOM 1184 CZ PHE A 76 14.090 -2.037 -2.911 1.00 0.00 C ATOM 0 H PHE A 76 12.676 -7.100 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 76 10.318 -5.607 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.471 -5.282 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.213 -4.332 -4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 76 13.847 -5.045 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.751 -2.463 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 76 15.534 -3.429 -3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.435 -0.846 -2.270 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.831 -1.326 -2.577 1.00 0.00 H new ATOM 1194 N ARG A 77 8.919 -7.381 -3.383 1.00 0.00 N ATOM 1195 CA ARG A 77 8.063 -8.426 -3.930 1.00 0.00 C ATOM 1196 C ARG A 77 7.813 -8.201 -5.418 1.00 0.00 C ATOM 1197 O ARG A 77 7.644 -9.153 -6.181 1.00 0.00 O ATOM 1198 CB ARG A 77 6.731 -8.469 -3.179 1.00 0.00 C ATOM 1199 CG ARG A 77 5.965 -7.157 -3.222 1.00 0.00 C ATOM 1200 CD ARG A 77 6.324 -6.264 -2.045 1.00 0.00 C ATOM 1201 NE ARG A 77 7.415 -5.347 -2.367 1.00 0.00 N ATOM 1202 CZ ARG A 77 8.051 -4.615 -1.459 1.00 0.00 C ATOM 1203 NH1 ARG A 77 7.708 -4.692 -0.181 1.00 0.00 N ATOM 1204 NH2 ARG A 77 9.034 -3.804 -1.830 1.00 0.00 N ATOM 0 H ARG A 77 8.527 -6.894 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 77 8.574 -9.381 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.109 -9.257 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.918 -8.737 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.184 -6.637 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.894 -7.359 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.447 -5.692 -1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.609 -6.883 -1.194 1.00 0.00 H new ATOM 0 HE ARG A 77 7.704 -5.264 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.954 -5.315 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.198 -4.129 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.301 -3.743 -2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.522 -3.242 -1.133 1.00 0.00 H new ATOM 1218 N ARG A 78 7.790 -6.936 -5.824 1.00 0.00 N ATOM 1219 CA ARG A 78 7.559 -6.585 -7.220 1.00 0.00 C ATOM 1220 C ARG A 78 8.674 -5.687 -7.747 1.00 0.00 C ATOM 1221 O ARG A 78 9.507 -5.201 -6.982 1.00 0.00 O ATOM 1222 CB ARG A 78 6.208 -5.884 -7.375 1.00 0.00 C ATOM 1223 CG ARG A 78 5.034 -6.702 -6.862 1.00 0.00 C ATOM 1224 CD ARG A 78 3.731 -5.924 -6.953 1.00 0.00 C ATOM 1225 NE ARG A 78 3.096 -6.070 -8.260 1.00 0.00 N ATOM 1226 CZ ARG A 78 2.249 -5.182 -8.769 1.00 0.00 C ATOM 1227 NH1 ARG A 78 1.938 -4.090 -8.085 1.00 0.00 N ATOM 1228 NH2 ARG A 78 1.713 -5.386 -9.966 1.00 0.00 N ATOM 0 H ARG A 78 7.929 -6.137 -5.206 1.00 0.00 H new ATOM 0 HA ARG A 78 7.552 -7.506 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.238 -4.934 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.047 -5.654 -8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.950 -7.623 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.215 -6.991 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.048 -6.270 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.925 -4.869 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 78 3.315 -6.899 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.349 -3.930 -7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.287 -3.410 -8.478 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.951 -6.225 -10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.063 -4.704 -10.357 1.00 0.00 H new ATOM 1242 N ARG A 79 8.684 -5.471 -9.058 1.00 0.00 N ATOM 1243 CA ARG A 79 9.697 -4.633 -9.688 1.00 0.00 C ATOM 1244 C ARG A 79 9.413 -3.155 -9.436 1.00 0.00 C ATOM 1245 O ARG A 79 10.226 -2.450 -8.838 1.00 0.00 O ATOM 1246 CB ARG A 79 9.751 -4.904 -11.192 1.00 0.00 C ATOM 1247 CG ARG A 79 10.643 -3.937 -11.954 1.00 0.00 C ATOM 1248 CD ARG A 79 11.216 -4.578 -13.208 1.00 0.00 C ATOM 1249 NE ARG A 79 10.337 -4.404 -14.362 1.00 0.00 N ATOM 1250 CZ ARG A 79 9.354 -5.243 -14.670 1.00 0.00 C ATOM 1251 NH1 ARG A 79 9.126 -6.308 -13.915 1.00 0.00 N ATOM 1252 NH2 ARG A 79 8.597 -5.016 -15.736 1.00 0.00 N ATOM 0 H ARG A 79 8.001 -5.865 -9.705 1.00 0.00 H new ATOM 0 HA ARG A 79 10.663 -4.880 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.108 -5.921 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.741 -4.851 -11.599 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.071 -3.050 -12.226 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.457 -3.606 -11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.191 -4.141 -13.426 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.376 -5.642 -13.031 1.00 0.00 H new ATOM 0 HE ARG A 79 10.486 -3.594 -14.964 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.706 -6.485 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.371 -6.950 -14.154 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.770 -4.197 -16.319 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.842 -5.660 -15.972 1.00 0.00 H new ATOM 1266 N MET A 80 8.256 -2.694 -9.896 1.00 0.00 N ATOM 1267 CA MET A 80 7.865 -1.300 -9.720 1.00 0.00 C ATOM 1268 C MET A 80 8.325 -0.773 -8.365 1.00 0.00 C ATOM 1269 O MET A 80 8.984 0.263 -8.283 1.00 0.00 O ATOM 1270 CB MET A 80 6.347 -1.153 -9.849 1.00 0.00 C ATOM 1271 CG MET A 80 5.858 0.276 -9.679 1.00 0.00 C ATOM 1272 SD MET A 80 5.889 1.209 -11.222 1.00 0.00 S ATOM 1273 CE MET A 80 7.465 2.049 -11.079 1.00 0.00 C ATOM 0 H MET A 80 7.572 -3.264 -10.393 1.00 0.00 H new ATOM 0 HA MET A 80 8.347 -0.712 -10.501 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.036 -1.521 -10.827 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.864 -1.785 -9.103 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.841 0.264 -9.287 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.479 0.783 -8.940 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.321 3.120 -11.225 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.884 1.871 -10.089 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.150 1.669 -11.837 1.00 0.00 H new ATOM 1283 N GLU A 81 7.972 -1.493 -7.304 1.00 0.00 N ATOM 1284 CA GLU A 81 8.349 -1.096 -5.953 1.00 0.00 C ATOM 1285 C GLU A 81 9.818 -0.687 -5.896 1.00 0.00 C ATOM 1286 O GLU A 81 10.158 0.377 -5.377 1.00 0.00 O ATOM 1287 CB GLU A 81 8.088 -2.240 -4.970 1.00 0.00 C ATOM 1288 CG GLU A 81 6.627 -2.645 -4.882 1.00 0.00 C ATOM 1289 CD GLU A 81 5.734 -1.512 -4.415 1.00 0.00 C ATOM 1290 OE1 GLU A 81 6.128 -0.796 -3.471 1.00 0.00 O ATOM 1291 OE2 GLU A 81 4.641 -1.341 -4.994 1.00 0.00 O ATOM 0 H GLU A 81 7.426 -2.353 -7.354 1.00 0.00 H new ATOM 0 HA GLU A 81 7.740 -0.238 -5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.679 -3.106 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.434 -1.943 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.290 -2.989 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.528 -3.487 -4.197 1.00 0.00 H new ATOM 1298 N LEU A 82 10.685 -1.540 -6.431 1.00 0.00 N ATOM 1299 CA LEU A 82 12.118 -1.268 -6.441 1.00 0.00 C ATOM 1300 C LEU A 82 12.414 0.070 -7.110 1.00 0.00 C ATOM 1301 O LEU A 82 13.283 0.820 -6.663 1.00 0.00 O ATOM 1302 CB LEU A 82 12.864 -2.390 -7.166 1.00 0.00 C ATOM 1303 CG LEU A 82 14.335 -2.120 -7.485 1.00 0.00 C ATOM 1304 CD1 LEU A 82 15.118 -1.854 -6.208 1.00 0.00 C ATOM 1305 CD2 LEU A 82 14.939 -3.290 -8.248 1.00 0.00 C ATOM 0 H LEU A 82 10.421 -2.425 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 82 12.461 -1.220 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.805 -3.292 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.343 -2.601 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 82 14.393 -1.232 -8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 82 16.163 -1.664 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 82 14.701 -0.984 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.052 -2.723 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.986 -3.080 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.869 -4.194 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.396 -3.435 -9.182 1.00 0.00 H new ATOM 1317 N ARG A 83 11.685 0.365 -8.181 1.00 0.00 N ATOM 1318 CA ARG A 83 11.869 1.613 -8.911 1.00 0.00 C ATOM 1319 C ARG A 83 11.581 2.814 -8.015 1.00 0.00 C ATOM 1320 O ARG A 83 12.320 3.799 -8.021 1.00 0.00 O ATOM 1321 CB ARG A 83 10.958 1.650 -10.140 1.00 0.00 C ATOM 1322 CG ARG A 83 11.068 0.413 -11.016 1.00 0.00 C ATOM 1323 CD ARG A 83 12.447 0.298 -11.647 1.00 0.00 C ATOM 1324 NE ARG A 83 12.400 -0.370 -12.945 1.00 0.00 N ATOM 1325 CZ ARG A 83 13.314 -0.197 -13.893 1.00 0.00 C ATOM 1326 NH1 ARG A 83 14.339 0.619 -13.690 1.00 0.00 N ATOM 1327 NH2 ARG A 83 13.203 -0.840 -15.048 1.00 0.00 N ATOM 0 H ARG A 83 10.961 -0.244 -8.563 1.00 0.00 H new ATOM 0 HA ARG A 83 12.908 1.664 -9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.924 1.762 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.201 2.530 -10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.864 -0.476 -10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.311 0.452 -11.799 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.875 1.293 -11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.107 -0.255 -10.978 1.00 0.00 H new ATOM 0 HE ARG A 83 11.623 -1.004 -13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 83 14.427 1.116 -12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.039 0.750 -14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.415 -1.468 -15.209 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.905 -0.707 -15.776 1.00 0.00 H new ATOM 1341 N LEU A 84 10.501 2.726 -7.246 1.00 0.00 N ATOM 1342 CA LEU A 84 10.114 3.805 -6.344 1.00 0.00 C ATOM 1343 C LEU A 84 11.072 3.895 -5.160 1.00 0.00 C ATOM 1344 O LEU A 84 11.080 4.886 -4.428 1.00 0.00 O ATOM 1345 CB LEU A 84 8.685 3.590 -5.843 1.00 0.00 C ATOM 1346 CG LEU A 84 7.697 3.016 -6.859 1.00 0.00 C ATOM 1347 CD1 LEU A 84 6.326 2.833 -6.226 1.00 0.00 C ATOM 1348 CD2 LEU A 84 7.606 3.917 -8.082 1.00 0.00 C ATOM 0 H LEU A 84 9.878 1.919 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 84 10.161 4.743 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.720 2.922 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.298 4.546 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 84 8.060 2.039 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.636 2.424 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.403 2.147 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.955 3.797 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.898 3.493 -8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.267 4.908 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.588 3.997 -8.549 1.00 0.00 H new ATOM 1360 N HIS A 85 11.880 2.856 -4.978 1.00 0.00 N ATOM 1361 CA HIS A 85 12.844 2.818 -3.884 1.00 0.00 C ATOM 1362 C HIS A 85 14.176 3.427 -4.313 1.00 0.00 C ATOM 1363 O HIS A 85 14.775 4.212 -3.579 1.00 0.00 O ATOM 1364 CB HIS A 85 13.056 1.380 -3.412 1.00 0.00 C ATOM 1365 CG HIS A 85 14.348 1.173 -2.682 1.00 0.00 C ATOM 1366 ND1 HIS A 85 14.473 1.325 -1.317 1.00 0.00 N ATOM 1367 CD2 HIS A 85 15.574 0.824 -3.134 1.00 0.00 C ATOM 1368 CE1 HIS A 85 15.721 1.079 -0.962 1.00 0.00 C ATOM 1369 NE2 HIS A 85 16.410 0.772 -2.046 1.00 0.00 N ATOM 0 H HIS A 85 11.887 2.028 -5.574 1.00 0.00 H new ATOM 0 HA HIS A 85 12.444 3.407 -3.059 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.230 1.095 -2.760 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.025 0.715 -4.275 1.00 0.00 H new ATOM 0 HD1 HIS A 85 13.720 1.586 -0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.845 0.623 -4.160 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.112 1.122 0.044 1.00 0.00 H new ATOM 1377 N MET A 86 14.633 3.059 -5.506 1.00 0.00 N ATOM 1378 CA MET A 86 15.893 3.569 -6.032 1.00 0.00 C ATOM 1379 C MET A 86 15.974 5.084 -5.876 1.00 0.00 C ATOM 1380 O MET A 86 17.050 5.639 -5.653 1.00 0.00 O ATOM 1381 CB MET A 86 16.047 3.188 -7.505 1.00 0.00 C ATOM 1382 CG MET A 86 16.148 1.689 -7.738 1.00 0.00 C ATOM 1383 SD MET A 86 17.852 1.127 -7.920 1.00 0.00 S ATOM 1384 CE MET A 86 18.532 1.589 -6.328 1.00 0.00 C ATOM 0 H MET A 86 14.149 2.410 -6.126 1.00 0.00 H new ATOM 0 HA MET A 86 16.705 3.119 -5.461 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.196 3.578 -8.063 1.00 0.00 H new ATOM 0 HB3 MET A 86 16.939 3.670 -7.905 1.00 0.00 H new ATOM 0 HG2 MET A 86 15.683 1.164 -6.904 1.00 0.00 H new ATOM 0 HG3 MET A 86 15.585 1.426 -8.634 1.00 0.00 H new ATOM 0 HE1 MET A 86 19.439 1.015 -6.139 1.00 0.00 H new ATOM 0 HE2 MET A 86 18.770 2.653 -6.329 1.00 0.00 H new ATOM 0 HE3 MET A 86 17.801 1.381 -5.546 1.00 0.00 H new ATOM 1394 N VAL A 87 14.829 5.749 -5.994 1.00 0.00 N ATOM 1395 CA VAL A 87 14.770 7.200 -5.865 1.00 0.00 C ATOM 1396 C VAL A 87 15.489 7.669 -4.605 1.00 0.00 C ATOM 1397 O VAL A 87 16.066 8.756 -4.576 1.00 0.00 O ATOM 1398 CB VAL A 87 13.314 7.701 -5.829 1.00 0.00 C ATOM 1399 CG1 VAL A 87 12.508 7.083 -6.961 1.00 0.00 C ATOM 1400 CG2 VAL A 87 12.679 7.396 -4.481 1.00 0.00 C ATOM 0 H VAL A 87 13.929 5.305 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 87 15.268 7.617 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 87 13.316 8.782 -5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.482 7.449 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.953 7.359 -7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.511 5.998 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.651 7.757 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.687 6.319 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.244 7.893 -3.692 1.00 0.00 H new ATOM 1410 N SER A 88 15.450 6.842 -3.565 1.00 0.00 N ATOM 1411 CA SER A 88 16.096 7.173 -2.300 1.00 0.00 C ATOM 1412 C SER A 88 17.613 7.205 -2.456 1.00 0.00 C ATOM 1413 O SER A 88 18.307 7.931 -1.744 1.00 0.00 O ATOM 1414 CB SER A 88 15.703 6.161 -1.223 1.00 0.00 C ATOM 1415 OG SER A 88 16.260 6.511 0.033 1.00 0.00 O ATOM 0 H SER A 88 14.978 5.938 -3.573 1.00 0.00 H new ATOM 0 HA SER A 88 15.759 8.164 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.617 6.114 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.044 5.167 -1.512 1.00 0.00 H new ATOM 0 HG SER A 88 15.993 5.850 0.705 1.00 0.00 H new ATOM 1421 N HIS A 89 18.122 6.412 -3.394 1.00 0.00 N ATOM 1422 CA HIS A 89 19.557 6.348 -3.645 1.00 0.00 C ATOM 1423 C HIS A 89 19.995 7.470 -4.582 1.00 0.00 C ATOM 1424 O HIS A 89 20.919 8.224 -4.276 1.00 0.00 O ATOM 1425 CB HIS A 89 19.932 4.992 -4.244 1.00 0.00 C ATOM 1426 CG HIS A 89 19.937 3.877 -3.245 1.00 0.00 C ATOM 1427 ND1 HIS A 89 20.641 3.931 -2.060 1.00 0.00 N ATOM 1428 CD2 HIS A 89 19.317 2.673 -3.258 1.00 0.00 C ATOM 1429 CE1 HIS A 89 20.455 2.808 -1.389 1.00 0.00 C ATOM 1430 NE2 HIS A 89 19.655 2.028 -2.094 1.00 0.00 N ATOM 0 H HIS A 89 17.562 5.805 -3.992 1.00 0.00 H new ATOM 0 HA HIS A 89 20.073 6.471 -2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 89 19.231 4.750 -5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.920 5.066 -4.699 1.00 0.00 H new ATOM 0 HD1 HIS A 89 21.215 4.715 -1.750 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.676 2.291 -4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 89 20.884 2.568 -0.427 1.00 0.00 H new ATOM 1438 N THR A 90 19.326 7.574 -5.726 1.00 0.00 N ATOM 1439 CA THR A 90 19.647 8.602 -6.708 1.00 0.00 C ATOM 1440 C THR A 90 19.259 9.986 -6.202 1.00 0.00 C ATOM 1441 O THR A 90 19.991 10.956 -6.395 1.00 0.00 O ATOM 1442 CB THR A 90 18.935 8.340 -8.049 1.00 0.00 C ATOM 1443 OG1 THR A 90 19.212 9.403 -8.967 1.00 0.00 O ATOM 1444 CG2 THR A 90 17.432 8.216 -7.848 1.00 0.00 C ATOM 0 H THR A 90 18.558 6.959 -5.995 1.00 0.00 H new ATOM 0 HA THR A 90 20.725 8.564 -6.864 1.00 0.00 H new ATOM 0 HB THR A 90 19.310 7.401 -8.457 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.757 9.228 -9.817 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.951 8.031 -8.808 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.223 7.387 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.045 9.141 -7.420 1.00 0.00 H new ATOM 1452 N GLY A 91 18.102 10.071 -5.552 1.00 0.00 N ATOM 1453 CA GLY A 91 17.637 11.342 -5.027 1.00 0.00 C ATOM 1454 C GLY A 91 16.146 11.537 -5.216 1.00 0.00 C ATOM 1455 O GLY A 91 15.394 11.596 -4.243 1.00 0.00 O ATOM 0 H GLY A 91 17.478 9.282 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.876 11.402 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.172 12.153 -5.521 1.00 0.00 H new ATOM 1459 N GLU A 92 15.717 11.638 -6.470 1.00 0.00 N ATOM 1460 CA GLU A 92 14.305 11.830 -6.781 1.00 0.00 C ATOM 1461 C GLU A 92 13.984 11.323 -8.184 1.00 0.00 C ATOM 1462 O GLU A 92 14.883 11.028 -8.970 1.00 0.00 O ATOM 1463 CB GLU A 92 13.931 13.309 -6.663 1.00 0.00 C ATOM 1464 CG GLU A 92 13.458 13.709 -5.276 1.00 0.00 C ATOM 1465 CD GLU A 92 12.170 13.016 -4.876 1.00 0.00 C ATOM 1466 OE1 GLU A 92 12.223 11.819 -4.526 1.00 0.00 O ATOM 1467 OE2 GLU A 92 11.108 13.672 -4.914 1.00 0.00 O ATOM 0 H GLU A 92 16.326 11.590 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 92 13.719 11.256 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.795 13.916 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.146 13.535 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.235 13.472 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.310 14.788 -5.244 1.00 0.00 H new ATOM 1474 N MET A 93 12.694 11.223 -8.489 1.00 0.00 N ATOM 1475 CA MET A 93 12.253 10.751 -9.797 1.00 0.00 C ATOM 1476 C MET A 93 12.329 11.869 -10.832 1.00 0.00 C ATOM 1477 O MET A 93 12.198 13.052 -10.514 1.00 0.00 O ATOM 1478 CB MET A 93 10.823 10.215 -9.713 1.00 0.00 C ATOM 1479 CG MET A 93 10.659 9.073 -8.723 1.00 0.00 C ATOM 1480 SD MET A 93 9.101 8.189 -8.933 1.00 0.00 S ATOM 1481 CE MET A 93 9.695 6.542 -9.308 1.00 0.00 C ATOM 0 H MET A 93 11.937 11.462 -7.849 1.00 0.00 H new ATOM 0 HA MET A 93 12.918 9.945 -10.109 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.155 11.029 -9.431 1.00 0.00 H new ATOM 0 HB3 MET A 93 10.512 9.876 -10.701 1.00 0.00 H new ATOM 0 HG2 MET A 93 11.487 8.374 -8.840 1.00 0.00 H new ATOM 0 HG3 MET A 93 10.715 9.466 -7.708 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.365 6.255 -10.306 1.00 0.00 H new ATOM 0 HE2 MET A 93 10.784 6.530 -9.269 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.298 5.837 -8.578 1.00 0.00 H new ATOM 1491 N PRO A 94 12.547 11.490 -12.099 1.00 0.00 N ATOM 1492 CA PRO A 94 12.645 12.446 -13.206 1.00 0.00 C ATOM 1493 C PRO A 94 11.306 13.099 -13.529 1.00 0.00 C ATOM 1494 O PRO A 94 11.224 14.315 -13.706 1.00 0.00 O ATOM 1495 CB PRO A 94 13.115 11.583 -14.380 1.00 0.00 C ATOM 1496 CG PRO A 94 12.650 10.207 -14.049 1.00 0.00 C ATOM 1497 CD PRO A 94 12.713 10.098 -12.550 1.00 0.00 C ATOM 0 HA PRO A 94 13.315 13.273 -12.971 1.00 0.00 H new ATOM 0 HB2 PRO A 94 12.688 11.929 -15.321 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.199 11.619 -14.489 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.635 10.041 -14.410 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.284 9.457 -14.522 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.925 9.453 -12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.662 9.678 -12.217 1.00 0.00 H new ATOM 1505 N TYR A 95 10.259 12.286 -13.603 1.00 0.00 N ATOM 1506 CA TYR A 95 8.923 12.785 -13.906 1.00 0.00 C ATOM 1507 C TYR A 95 8.151 13.089 -12.626 1.00 0.00 C ATOM 1508 O TYR A 95 8.345 12.436 -11.600 1.00 0.00 O ATOM 1509 CB TYR A 95 8.154 11.766 -14.749 1.00 0.00 C ATOM 1510 CG TYR A 95 8.866 11.374 -16.024 1.00 0.00 C ATOM 1511 CD1 TYR A 95 8.694 12.107 -17.192 1.00 0.00 C ATOM 1512 CD2 TYR A 95 9.709 10.270 -16.061 1.00 0.00 C ATOM 1513 CE1 TYR A 95 9.342 11.752 -18.359 1.00 0.00 C ATOM 1514 CE2 TYR A 95 10.362 9.909 -17.224 1.00 0.00 C ATOM 1515 CZ TYR A 95 10.175 10.653 -18.370 1.00 0.00 C ATOM 1516 OH TYR A 95 10.823 10.296 -19.530 1.00 0.00 O ATOM 0 H TYR A 95 10.309 11.278 -13.457 1.00 0.00 H new ATOM 0 HA TYR A 95 9.029 13.710 -14.473 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.978 10.872 -14.151 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.177 12.179 -15.001 1.00 0.00 H new ATOM 0 HD1 TYR A 95 8.043 12.969 -17.187 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.856 9.684 -15.166 1.00 0.00 H new ATOM 0 HE1 TYR A 95 9.197 12.332 -19.258 1.00 0.00 H new ATOM 0 HE2 TYR A 95 11.015 9.049 -17.235 1.00 0.00 H new ATOM 0 HH TYR A 95 10.442 9.461 -19.874 1.00 0.00 H new ATOM 1526 N LYS A 96 7.274 14.084 -12.694 1.00 0.00 N ATOM 1527 CA LYS A 96 6.469 14.476 -11.542 1.00 0.00 C ATOM 1528 C LYS A 96 5.175 15.150 -11.986 1.00 0.00 C ATOM 1529 O LYS A 96 5.153 15.883 -12.975 1.00 0.00 O ATOM 1530 CB LYS A 96 7.264 15.419 -10.636 1.00 0.00 C ATOM 1531 CG LYS A 96 7.972 14.713 -9.493 1.00 0.00 C ATOM 1532 CD LYS A 96 9.077 15.573 -8.905 1.00 0.00 C ATOM 1533 CE LYS A 96 10.373 15.427 -9.687 1.00 0.00 C ATOM 1534 NZ LYS A 96 10.301 16.104 -11.012 1.00 0.00 N ATOM 0 H LYS A 96 7.102 14.635 -13.535 1.00 0.00 H new ATOM 0 HA LYS A 96 6.215 13.575 -10.984 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.003 15.949 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.589 16.170 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.250 14.465 -8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.392 13.773 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.766 16.618 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.244 15.291 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.196 15.848 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.593 14.369 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.252 16.418 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.931 15.440 -11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.670 16.928 -10.947 1.00 0.00 H new ATOM 1548 N CYS A 97 4.099 14.899 -11.248 1.00 0.00 N ATOM 1549 CA CYS A 97 2.801 15.482 -11.565 1.00 0.00 C ATOM 1550 C CYS A 97 2.698 16.905 -11.026 1.00 0.00 C ATOM 1551 O CYS A 97 3.650 17.432 -10.449 1.00 0.00 O ATOM 1552 CB CYS A 97 1.677 14.622 -10.984 1.00 0.00 C ATOM 1553 SG CYS A 97 0.126 14.682 -11.938 1.00 0.00 S ATOM 0 H CYS A 97 4.100 14.295 -10.426 1.00 0.00 H new ATOM 0 HA CYS A 97 2.700 15.515 -12.650 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.017 13.588 -10.928 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.476 14.947 -9.963 1.00 0.00 H new ATOM 1558 N SER A 98 1.537 17.523 -11.218 1.00 0.00 N ATOM 1559 CA SER A 98 1.310 18.886 -10.754 1.00 0.00 C ATOM 1560 C SER A 98 0.130 18.943 -9.788 1.00 0.00 C ATOM 1561 O SER A 98 0.212 19.558 -8.725 1.00 0.00 O ATOM 1562 CB SER A 98 1.056 19.816 -11.942 1.00 0.00 C ATOM 1563 OG SER A 98 0.026 19.311 -12.774 1.00 0.00 O ATOM 0 H SER A 98 0.739 17.101 -11.692 1.00 0.00 H new ATOM 0 HA SER A 98 2.205 19.217 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.782 20.807 -11.580 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.972 19.930 -12.521 1.00 0.00 H new ATOM 0 HG SER A 98 -0.118 19.924 -13.525 1.00 0.00 H new ATOM 1569 N SER A 99 -0.968 18.296 -10.167 1.00 0.00 N ATOM 1570 CA SER A 99 -2.167 18.275 -9.338 1.00 0.00 C ATOM 1571 C SER A 99 -1.915 17.520 -8.037 1.00 0.00 C ATOM 1572 O SER A 99 -2.187 18.026 -6.948 1.00 0.00 O ATOM 1573 CB SER A 99 -3.327 17.630 -10.099 1.00 0.00 C ATOM 1574 OG SER A 99 -4.068 18.600 -10.818 1.00 0.00 O ATOM 0 H SER A 99 -1.052 17.780 -11.043 1.00 0.00 H new ATOM 0 HA SER A 99 -2.429 19.305 -9.095 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.941 16.879 -10.788 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.983 17.113 -9.398 1.00 0.00 H new ATOM 0 HG SER A 99 -4.802 18.162 -11.297 1.00 0.00 H new ATOM 1580 N CYS A 100 -1.392 16.304 -8.158 1.00 0.00 N ATOM 1581 CA CYS A 100 -1.102 15.477 -6.993 1.00 0.00 C ATOM 1582 C CYS A 100 0.374 15.566 -6.616 1.00 0.00 C ATOM 1583 O CYS A 100 0.753 15.292 -5.477 1.00 0.00 O ATOM 1584 CB CYS A 100 -1.482 14.021 -7.268 1.00 0.00 C ATOM 1585 SG CYS A 100 -0.536 13.248 -8.619 1.00 0.00 S ATOM 0 H CYS A 100 -1.160 15.870 -9.051 1.00 0.00 H new ATOM 0 HA CYS A 100 -1.695 15.849 -6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -1.335 13.440 -6.357 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -2.544 13.973 -7.509 1.00 0.00 H new ATOM 1590 N SER A 101 1.204 15.950 -7.581 1.00 0.00 N ATOM 1591 CA SER A 101 2.638 16.072 -7.353 1.00 0.00 C ATOM 1592 C SER A 101 3.290 14.697 -7.243 1.00 0.00 C ATOM 1593 O SER A 101 4.340 14.544 -6.619 1.00 0.00 O ATOM 1594 CB SER A 101 2.907 16.879 -6.081 1.00 0.00 C ATOM 1595 OG SER A 101 2.113 18.052 -6.044 1.00 0.00 O ATOM 0 H SER A 101 0.907 16.182 -8.529 1.00 0.00 H new ATOM 0 HA SER A 101 3.073 16.594 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.695 16.265 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.962 17.149 -6.034 1.00 0.00 H new ATOM 0 HG SER A 101 2.302 18.549 -5.221 1.00 0.00 H new ATOM 1601 N GLN A 102 2.658 13.700 -7.854 1.00 0.00 N ATOM 1602 CA GLN A 102 3.175 12.337 -7.824 1.00 0.00 C ATOM 1603 C GLN A 102 4.549 12.261 -8.483 1.00 0.00 C ATOM 1604 O GLN A 102 5.120 13.281 -8.867 1.00 0.00 O ATOM 1605 CB GLN A 102 2.206 11.385 -8.528 1.00 0.00 C ATOM 1606 CG GLN A 102 1.261 10.667 -7.578 1.00 0.00 C ATOM 1607 CD GLN A 102 0.556 9.495 -8.232 1.00 0.00 C ATOM 1608 OE1 GLN A 102 -0.652 9.317 -8.076 1.00 0.00 O ATOM 1609 NE2 GLN A 102 1.310 8.687 -8.968 1.00 0.00 N ATOM 0 H GLN A 102 1.788 13.810 -8.375 1.00 0.00 H new ATOM 0 HA GLN A 102 3.275 12.037 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.620 11.948 -9.254 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.779 10.644 -9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.821 10.312 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.518 11.373 -7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.308 8.873 -9.070 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.891 7.881 -9.431 1.00 0.00 H new ATOM 1618 N GLN A 103 5.073 11.046 -8.611 1.00 0.00 N ATOM 1619 CA GLN A 103 6.380 10.839 -9.222 1.00 0.00 C ATOM 1620 C GLN A 103 6.377 9.595 -10.105 1.00 0.00 C ATOM 1621 O GLN A 103 5.581 8.678 -9.901 1.00 0.00 O ATOM 1622 CB GLN A 103 7.457 10.710 -8.144 1.00 0.00 C ATOM 1623 CG GLN A 103 7.484 11.877 -7.169 1.00 0.00 C ATOM 1624 CD GLN A 103 8.578 11.742 -6.128 1.00 0.00 C ATOM 1625 OE1 GLN A 103 9.825 11.694 -6.582 1.00 0.00 O flip ATOM 1626 NE2 GLN A 103 8.305 11.682 -4.929 1.00 0.00 N flip ATOM 0 H GLN A 103 4.612 10.191 -8.300 1.00 0.00 H new ATOM 0 HA GLN A 103 6.602 11.705 -9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.294 9.787 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.432 10.626 -8.624 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.627 12.805 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.518 11.950 -6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.332 11.723 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.052 11.592 -4.240 1.00 0.00 H new ATOM 1635 N PHE A 104 7.271 9.570 -11.087 1.00 0.00 N ATOM 1636 CA PHE A 104 7.371 8.439 -12.002 1.00 0.00 C ATOM 1637 C PHE A 104 8.780 8.326 -12.576 1.00 0.00 C ATOM 1638 O PHE A 104 9.544 9.291 -12.570 1.00 0.00 O ATOM 1639 CB PHE A 104 6.356 8.585 -13.139 1.00 0.00 C ATOM 1640 CG PHE A 104 4.974 8.936 -12.667 1.00 0.00 C ATOM 1641 CD1 PHE A 104 4.696 10.203 -12.180 1.00 0.00 C ATOM 1642 CD2 PHE A 104 3.954 8.000 -12.711 1.00 0.00 C ATOM 1643 CE1 PHE A 104 3.425 10.529 -11.745 1.00 0.00 C ATOM 1644 CE2 PHE A 104 2.681 8.320 -12.277 1.00 0.00 C ATOM 1645 CZ PHE A 104 2.416 9.587 -11.795 1.00 0.00 C ATOM 0 H PHE A 104 7.937 10.320 -11.270 1.00 0.00 H new ATOM 0 HA PHE A 104 7.152 7.530 -11.442 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.703 9.355 -13.828 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.314 7.651 -13.700 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.481 10.944 -12.140 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.156 7.009 -13.089 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.221 11.520 -11.366 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.895 7.580 -12.315 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.422 9.841 -11.458 1.00 0.00 H new ATOM 1655 N MET A 105 9.118 7.139 -13.069 1.00 0.00 N ATOM 1656 CA MET A 105 10.435 6.899 -13.647 1.00 0.00 C ATOM 1657 C MET A 105 10.403 7.065 -15.163 1.00 0.00 C ATOM 1658 O MET A 105 11.415 7.395 -15.781 1.00 0.00 O ATOM 1659 CB MET A 105 10.926 5.495 -13.287 1.00 0.00 C ATOM 1660 CG MET A 105 11.714 5.441 -11.988 1.00 0.00 C ATOM 1661 SD MET A 105 13.172 6.502 -12.016 1.00 0.00 S ATOM 1662 CE MET A 105 13.301 6.946 -10.286 1.00 0.00 C ATOM 0 H MET A 105 8.498 6.329 -13.080 1.00 0.00 H new ATOM 0 HA MET A 105 11.124 7.635 -13.233 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.068 4.828 -13.210 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.551 5.119 -14.097 1.00 0.00 H new ATOM 0 HG2 MET A 105 11.068 5.740 -11.163 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.021 4.413 -11.796 1.00 0.00 H new ATOM 0 HE1 MET A 105 14.331 7.221 -10.057 1.00 0.00 H new ATOM 0 HE2 MET A 105 12.645 7.791 -10.077 1.00 0.00 H new ATOM 0 HE3 MET A 105 13.006 6.097 -9.669 1.00 0.00 H new ATOM 1672 N GLN A 106 9.235 6.835 -15.754 1.00 0.00 N ATOM 1673 CA GLN A 106 9.073 6.958 -17.198 1.00 0.00 C ATOM 1674 C GLN A 106 8.129 8.105 -17.543 1.00 0.00 C ATOM 1675 O GLN A 106 7.410 8.613 -16.682 1.00 0.00 O ATOM 1676 CB GLN A 106 8.543 5.650 -17.787 1.00 0.00 C ATOM 1677 CG GLN A 106 9.260 4.414 -17.268 1.00 0.00 C ATOM 1678 CD GLN A 106 9.290 3.288 -18.282 1.00 0.00 C ATOM 1679 OE1 GLN A 106 9.104 3.510 -19.479 1.00 0.00 O ATOM 1680 NE2 GLN A 106 9.527 2.070 -17.808 1.00 0.00 N ATOM 0 H GLN A 106 8.388 6.563 -15.256 1.00 0.00 H new ATOM 0 HA GLN A 106 10.050 7.172 -17.631 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.480 5.564 -17.562 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.637 5.686 -18.872 1.00 0.00 H new ATOM 0 HG2 GLN A 106 10.281 4.679 -16.995 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.767 4.067 -16.360 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.676 1.932 -16.808 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.560 1.273 -18.444 1.00 0.00 H new ATOM 1689 N LYS A 107 8.135 8.509 -18.809 1.00 0.00 N ATOM 1690 CA LYS A 107 7.278 9.596 -19.270 1.00 0.00 C ATOM 1691 C LYS A 107 5.857 9.100 -19.518 1.00 0.00 C ATOM 1692 O LYS A 107 4.886 9.742 -19.118 1.00 0.00 O ATOM 1693 CB LYS A 107 7.846 10.212 -20.550 1.00 0.00 C ATOM 1694 CG LYS A 107 6.927 11.237 -21.192 1.00 0.00 C ATOM 1695 CD LYS A 107 7.371 11.577 -22.605 1.00 0.00 C ATOM 1696 CE LYS A 107 8.216 12.842 -22.634 1.00 0.00 C ATOM 1697 NZ LYS A 107 9.589 12.603 -22.109 1.00 0.00 N ATOM 0 H LYS A 107 8.724 8.100 -19.534 1.00 0.00 H new ATOM 0 HA LYS A 107 7.247 10.357 -18.491 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.801 10.685 -20.323 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.047 9.417 -21.268 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.908 10.851 -21.213 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.912 12.143 -20.586 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.943 10.746 -23.018 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.496 11.708 -23.241 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.278 13.214 -23.657 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.730 13.617 -22.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.276 13.137 -22.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.642 12.917 -21.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.809 11.588 -22.162 1.00 0.00 H new ATOM 1711 N LYS A 108 5.743 7.954 -20.181 1.00 0.00 N ATOM 1712 CA LYS A 108 4.441 7.370 -20.481 1.00 0.00 C ATOM 1713 C LYS A 108 3.684 7.041 -19.198 1.00 0.00 C ATOM 1714 O LYS A 108 2.455 7.103 -19.158 1.00 0.00 O ATOM 1715 CB LYS A 108 4.608 6.105 -21.325 1.00 0.00 C ATOM 1716 CG LYS A 108 5.372 4.999 -20.618 1.00 0.00 C ATOM 1717 CD LYS A 108 5.626 3.819 -21.542 1.00 0.00 C ATOM 1718 CE LYS A 108 6.868 4.035 -22.394 1.00 0.00 C ATOM 1719 NZ LYS A 108 6.863 3.175 -23.609 1.00 0.00 N ATOM 0 H LYS A 108 6.537 7.411 -20.521 1.00 0.00 H new ATOM 0 HA LYS A 108 3.864 8.102 -21.046 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.623 5.733 -21.605 1.00 0.00 H new ATOM 0 HB3 LYS A 108 5.127 6.361 -22.249 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.323 5.388 -20.253 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.808 4.665 -19.747 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.743 2.911 -20.950 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.761 3.669 -22.189 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.927 5.082 -22.691 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.757 3.821 -21.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.725 3.352 -24.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.832 2.175 -23.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.028 3.397 -24.188 1.00 0.00 H new ATOM 1733 N ASP A 109 4.425 6.693 -18.152 1.00 0.00 N ATOM 1734 CA ASP A 109 3.823 6.357 -16.867 1.00 0.00 C ATOM 1735 C ASP A 109 3.060 7.548 -16.295 1.00 0.00 C ATOM 1736 O ASP A 109 1.999 7.387 -15.691 1.00 0.00 O ATOM 1737 CB ASP A 109 4.899 5.903 -15.879 1.00 0.00 C ATOM 1738 CG ASP A 109 4.377 4.892 -14.878 1.00 0.00 C ATOM 1739 OD1 ASP A 109 3.588 4.011 -15.280 1.00 0.00 O ATOM 1740 OD2 ASP A 109 4.758 4.980 -13.692 1.00 0.00 O ATOM 0 H ASP A 109 5.443 6.636 -18.169 1.00 0.00 H new ATOM 0 HA ASP A 109 3.119 5.541 -17.027 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.733 5.467 -16.429 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.288 6.771 -15.346 1.00 0.00 H new ATOM 1745 N LEU A 110 3.608 8.743 -16.490 1.00 0.00 N ATOM 1746 CA LEU A 110 2.979 9.962 -15.993 1.00 0.00 C ATOM 1747 C LEU A 110 1.813 10.375 -16.884 1.00 0.00 C ATOM 1748 O LEU A 110 0.705 10.612 -16.402 1.00 0.00 O ATOM 1749 CB LEU A 110 4.005 11.094 -15.919 1.00 0.00 C ATOM 1750 CG LEU A 110 3.437 12.506 -15.773 1.00 0.00 C ATOM 1751 CD1 LEU A 110 2.657 12.636 -14.473 1.00 0.00 C ATOM 1752 CD2 LEU A 110 4.553 13.539 -15.832 1.00 0.00 C ATOM 0 H LEU A 110 4.485 8.894 -16.988 1.00 0.00 H new ATOM 0 HA LEU A 110 2.595 9.762 -14.993 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.668 10.902 -15.076 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.618 11.062 -16.820 1.00 0.00 H new ATOM 0 HG LEU A 110 2.755 12.690 -16.603 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.260 13.648 -14.386 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.834 11.922 -14.470 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.318 12.432 -13.630 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.130 14.538 -15.726 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.260 13.357 -15.023 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.069 13.463 -16.789 1.00 0.00 H new ATOM 1764 N GLN A 111 2.069 10.457 -18.186 1.00 0.00 N ATOM 1765 CA GLN A 111 1.039 10.840 -19.144 1.00 0.00 C ATOM 1766 C GLN A 111 -0.233 10.027 -18.930 1.00 0.00 C ATOM 1767 O GLN A 111 -1.325 10.583 -18.812 1.00 0.00 O ATOM 1768 CB GLN A 111 1.546 10.648 -20.574 1.00 0.00 C ATOM 1769 CG GLN A 111 2.714 11.553 -20.932 1.00 0.00 C ATOM 1770 CD GLN A 111 2.742 11.914 -22.405 1.00 0.00 C ATOM 1771 OE1 GLN A 111 1.934 11.422 -23.192 1.00 0.00 O ATOM 1772 NE2 GLN A 111 3.676 12.779 -22.785 1.00 0.00 N ATOM 0 H GLN A 111 2.980 10.263 -18.601 1.00 0.00 H new ATOM 0 HA GLN A 111 0.806 11.893 -18.987 1.00 0.00 H new ATOM 0 HB2 GLN A 111 1.848 9.609 -20.707 1.00 0.00 H new ATOM 0 HB3 GLN A 111 0.727 10.834 -21.269 1.00 0.00 H new ATOM 0 HG2 GLN A 111 2.657 12.466 -20.339 1.00 0.00 H new ATOM 0 HG3 GLN A 111 3.648 11.058 -20.665 1.00 0.00 H new ATOM 0 HE21 GLN A 111 4.326 13.162 -22.098 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.743 13.060 -23.763 1.00 0.00 H new ATOM 1781 N SER A 112 -0.085 8.707 -18.881 1.00 0.00 N ATOM 1782 CA SER A 112 -1.223 7.817 -18.685 1.00 0.00 C ATOM 1783 C SER A 112 -1.861 8.043 -17.318 1.00 0.00 C ATOM 1784 O SER A 112 -3.082 7.972 -17.170 1.00 0.00 O ATOM 1785 CB SER A 112 -0.785 6.357 -18.820 1.00 0.00 C ATOM 1786 OG SER A 112 -1.883 5.523 -19.147 1.00 0.00 O ATOM 0 H SER A 112 0.812 8.230 -18.974 1.00 0.00 H new ATOM 0 HA SER A 112 -1.963 8.040 -19.454 1.00 0.00 H new ATOM 0 HB2 SER A 112 -0.019 6.274 -19.591 1.00 0.00 H new ATOM 0 HB3 SER A 112 -0.335 6.021 -17.886 1.00 0.00 H new ATOM 0 HG SER A 112 -1.576 4.596 -19.229 1.00 0.00 H new ATOM 1792 N HIS A 113 -1.027 8.317 -16.320 1.00 0.00 N ATOM 1793 CA HIS A 113 -1.508 8.555 -14.964 1.00 0.00 C ATOM 1794 C HIS A 113 -2.410 9.784 -14.916 1.00 0.00 C ATOM 1795 O HIS A 113 -3.434 9.788 -14.234 1.00 0.00 O ATOM 1796 CB HIS A 113 -0.330 8.735 -14.006 1.00 0.00 C ATOM 1797 CG HIS A 113 -0.617 9.670 -12.872 1.00 0.00 C ATOM 1798 ND1 HIS A 113 -1.028 9.240 -11.628 1.00 0.00 N ATOM 1799 CD2 HIS A 113 -0.550 11.020 -12.799 1.00 0.00 C ATOM 1800 CE1 HIS A 113 -1.202 10.285 -10.839 1.00 0.00 C ATOM 1801 NE2 HIS A 113 -0.918 11.377 -11.525 1.00 0.00 N ATOM 0 H HIS A 113 -0.014 8.380 -16.425 1.00 0.00 H new ATOM 0 HA HIS A 113 -2.089 7.687 -14.654 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -0.049 7.762 -13.602 1.00 0.00 H new ATOM 0 HB3 HIS A 113 0.528 9.108 -14.565 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -1.175 8.267 -11.359 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -0.261 11.691 -13.594 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.522 10.252 -9.808 1.00 0.00 H new ATOM 1809 N MET A 114 -2.022 10.826 -15.644 1.00 0.00 N ATOM 1810 CA MET A 114 -2.797 12.061 -15.684 1.00 0.00 C ATOM 1811 C MET A 114 -4.043 11.893 -16.547 1.00 0.00 C ATOM 1812 O MET A 114 -5.045 12.581 -16.347 1.00 0.00 O ATOM 1813 CB MET A 114 -1.940 13.208 -16.223 1.00 0.00 C ATOM 1814 CG MET A 114 -0.705 13.491 -15.384 1.00 0.00 C ATOM 1815 SD MET A 114 -0.044 15.147 -15.655 1.00 0.00 S ATOM 1816 CE MET A 114 -1.330 16.150 -14.915 1.00 0.00 C ATOM 0 H MET A 114 -1.176 10.840 -16.214 1.00 0.00 H new ATOM 0 HA MET A 114 -3.110 12.297 -14.667 1.00 0.00 H new ATOM 0 HB2 MET A 114 -1.631 12.972 -17.241 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.548 14.111 -16.276 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.952 13.371 -14.329 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.064 12.755 -15.617 1.00 0.00 H new ATOM 0 HE1 MET A 114 -0.910 17.105 -14.599 1.00 0.00 H new ATOM 0 HE2 MET A 114 -2.120 16.325 -15.645 1.00 0.00 H new ATOM 0 HE3 MET A 114 -1.743 15.631 -14.050 1.00 0.00 H new ATOM 1826 N ILE A 115 -3.975 10.976 -17.505 1.00 0.00 N ATOM 1827 CA ILE A 115 -5.099 10.718 -18.397 1.00 0.00 C ATOM 1828 C ILE A 115 -6.126 9.805 -17.736 1.00 0.00 C ATOM 1829 O ILE A 115 -7.312 9.845 -18.066 1.00 0.00 O ATOM 1830 CB ILE A 115 -4.634 10.077 -19.718 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -3.696 11.026 -20.467 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -5.833 9.717 -20.583 1.00 0.00 C ATOM 1833 CD1 ILE A 115 -2.642 10.312 -21.285 1.00 0.00 C ATOM 0 H ILE A 115 -3.153 10.399 -17.684 1.00 0.00 H new ATOM 0 HA ILE A 115 -5.559 11.682 -18.613 1.00 0.00 H new ATOM 0 HB ILE A 115 -4.088 9.162 -19.489 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -4.286 11.663 -21.126 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.204 11.681 -19.748 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.488 9.265 -21.513 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.467 9.009 -20.049 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.404 10.618 -20.807 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -2.013 11.046 -21.789 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -2.027 9.697 -20.628 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -3.126 9.678 -22.028 1.00 0.00 H new ATOM 1845 N LYS A 116 -5.664 8.983 -16.800 1.00 0.00 N ATOM 1846 CA LYS A 116 -6.542 8.061 -16.090 1.00 0.00 C ATOM 1847 C LYS A 116 -7.058 8.687 -14.798 1.00 0.00 C ATOM 1848 O LYS A 116 -8.267 8.821 -14.601 1.00 0.00 O ATOM 1849 CB LYS A 116 -5.802 6.758 -15.777 1.00 0.00 C ATOM 1850 CG LYS A 116 -5.882 5.731 -16.892 1.00 0.00 C ATOM 1851 CD LYS A 116 -4.795 5.950 -17.932 1.00 0.00 C ATOM 1852 CE LYS A 116 -4.842 4.889 -19.020 1.00 0.00 C ATOM 1853 NZ LYS A 116 -6.132 4.913 -19.763 1.00 0.00 N ATOM 0 H LYS A 116 -4.686 8.937 -16.515 1.00 0.00 H new ATOM 0 HA LYS A 116 -7.394 7.843 -16.733 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -4.755 6.984 -15.577 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.215 6.325 -14.866 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -5.789 4.729 -16.472 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -6.860 5.787 -17.370 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.912 6.937 -18.380 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.818 5.933 -17.448 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.019 5.047 -19.717 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.698 3.905 -18.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.057 4.311 -20.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.893 4.557 -19.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.348 5.888 -20.052 1.00 0.00 H new ATOM 1867 N LEU A 117 -6.136 9.071 -13.922 1.00 0.00 N ATOM 1868 CA LEU A 117 -6.498 9.685 -12.650 1.00 0.00 C ATOM 1869 C LEU A 117 -7.004 11.109 -12.857 1.00 0.00 C ATOM 1870 O LEU A 117 -8.065 11.482 -12.356 1.00 0.00 O ATOM 1871 CB LEU A 117 -5.296 9.692 -11.704 1.00 0.00 C ATOM 1872 CG LEU A 117 -4.604 8.345 -11.489 1.00 0.00 C ATOM 1873 CD1 LEU A 117 -3.843 8.340 -10.172 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -5.619 7.212 -11.525 1.00 0.00 C ATOM 0 H LEU A 117 -5.132 8.968 -14.070 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.299 9.095 -12.205 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.560 10.399 -12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.624 10.068 -10.735 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.890 8.192 -12.298 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.357 7.374 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.089 9.127 -10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.537 8.516 -9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -5.109 6.261 -11.370 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -6.357 7.360 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.119 7.202 -12.494 1.00 0.00 H new ATOM 1886 N HIS A 118 -6.238 11.902 -13.601 1.00 0.00 N ATOM 1887 CA HIS A 118 -6.610 13.285 -13.877 1.00 0.00 C ATOM 1888 C HIS A 118 -7.279 13.405 -15.243 1.00 0.00 C ATOM 1889 O HIS A 118 -7.074 14.382 -15.962 1.00 0.00 O ATOM 1890 CB HIS A 118 -5.378 14.188 -13.819 1.00 0.00 C ATOM 1891 CG HIS A 118 -4.651 14.127 -12.511 1.00 0.00 C ATOM 1892 ND1 HIS A 118 -5.267 14.349 -11.297 1.00 0.00 N ATOM 1893 CD2 HIS A 118 -3.353 13.865 -12.230 1.00 0.00 C ATOM 1894 CE1 HIS A 118 -4.379 14.228 -10.326 1.00 0.00 C ATOM 1895 NE2 HIS A 118 -3.209 13.934 -10.866 1.00 0.00 N ATOM 0 H HIS A 118 -5.356 11.610 -14.023 1.00 0.00 H new ATOM 0 HA HIS A 118 -7.321 13.603 -13.114 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -4.693 13.906 -14.619 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -5.683 15.217 -14.008 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -6.254 14.572 -11.169 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.575 13.643 -12.946 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -4.576 14.349 -9.271 1.00 0.00 H new ATOM 1903 N SER A 119 -8.081 12.404 -15.594 1.00 0.00 N ATOM 1904 CA SER A 119 -8.777 12.395 -16.875 1.00 0.00 C ATOM 1905 C SER A 119 -9.269 13.794 -17.235 1.00 0.00 C ATOM 1906 O SER A 119 -8.914 14.339 -18.280 1.00 0.00 O ATOM 1907 CB SER A 119 -9.957 11.422 -16.832 1.00 0.00 C ATOM 1908 OG SER A 119 -10.584 11.324 -18.099 1.00 0.00 O ATOM 0 H SER A 119 -8.264 11.589 -15.009 1.00 0.00 H new ATOM 0 HA SER A 119 -8.074 12.067 -17.641 1.00 0.00 H new ATOM 0 HB2 SER A 119 -9.610 10.438 -16.518 1.00 0.00 H new ATOM 0 HB3 SER A 119 -10.681 11.757 -16.089 1.00 0.00 H new ATOM 0 HG SER A 119 -11.334 10.695 -18.045 1.00 0.00 H new ATOM 1914 N GLY A 120 -10.089 14.369 -16.361 1.00 0.00 N ATOM 1915 CA GLY A 120 -10.617 15.699 -16.604 1.00 0.00 C ATOM 1916 C GLY A 120 -11.982 15.904 -15.977 1.00 0.00 C ATOM 1917 O GLY A 120 -12.847 15.029 -16.021 1.00 0.00 O ATOM 0 H GLY A 120 -10.397 13.938 -15.489 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -9.923 16.440 -16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.685 15.869 -17.679 1.00 0.00 H new ATOM 1921 N PRO A 121 -12.189 17.084 -15.374 1.00 0.00 N ATOM 1922 CA PRO A 121 -13.456 17.429 -14.723 1.00 0.00 C ATOM 1923 C PRO A 121 -14.587 17.631 -15.725 1.00 0.00 C ATOM 1924 O PRO A 121 -14.484 18.455 -16.634 1.00 0.00 O ATOM 1925 CB PRO A 121 -13.139 18.742 -14.002 1.00 0.00 C ATOM 1926 CG PRO A 121 -12.011 19.335 -14.774 1.00 0.00 C ATOM 1927 CD PRO A 121 -11.202 18.174 -15.283 1.00 0.00 C ATOM 0 HA PRO A 121 -13.802 16.636 -14.060 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -14.003 19.406 -13.991 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -12.859 18.566 -12.964 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -12.380 19.945 -15.599 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -11.406 19.986 -14.143 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -10.753 18.391 -16.252 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -10.388 17.923 -14.603 1.00 0.00 H new ATOM 1935 N SER A 122 -15.667 16.875 -15.553 1.00 0.00 N ATOM 1936 CA SER A 122 -16.816 16.969 -16.445 1.00 0.00 C ATOM 1937 C SER A 122 -17.555 18.289 -16.241 1.00 0.00 C ATOM 1938 O SER A 122 -17.905 18.971 -17.204 1.00 0.00 O ATOM 1939 CB SER A 122 -17.770 15.796 -16.208 1.00 0.00 C ATOM 1940 OG SER A 122 -17.354 14.648 -16.927 1.00 0.00 O ATOM 0 H SER A 122 -15.770 16.191 -14.804 1.00 0.00 H new ATOM 0 HA SER A 122 -16.452 16.930 -17.472 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.812 15.567 -15.143 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.778 16.075 -16.514 1.00 0.00 H new ATOM 0 HG SER A 122 -17.979 13.912 -16.758 1.00 0.00 H new ATOM 1946 N SER A 123 -17.788 18.641 -14.981 1.00 0.00 N ATOM 1947 CA SER A 123 -18.488 19.876 -14.650 1.00 0.00 C ATOM 1948 C SER A 123 -17.554 20.859 -13.951 1.00 0.00 C ATOM 1949 O SER A 123 -16.561 20.464 -13.342 1.00 0.00 O ATOM 1950 CB SER A 123 -19.695 19.580 -13.758 1.00 0.00 C ATOM 1951 OG SER A 123 -19.287 19.073 -12.499 1.00 0.00 O ATOM 0 H SER A 123 -17.502 18.088 -14.173 1.00 0.00 H new ATOM 0 HA SER A 123 -18.834 20.328 -15.579 1.00 0.00 H new ATOM 0 HB2 SER A 123 -20.278 20.490 -13.615 1.00 0.00 H new ATOM 0 HB3 SER A 123 -20.347 18.858 -14.250 1.00 0.00 H new ATOM 0 HG SER A 123 -20.077 18.894 -11.947 1.00 0.00 H new ATOM 1957 N GLY A 124 -17.881 22.145 -14.044 1.00 0.00 N ATOM 1958 CA GLY A 124 -17.062 23.166 -13.417 1.00 0.00 C ATOM 1959 C GLY A 124 -17.885 24.319 -12.879 1.00 0.00 C ATOM 1960 O GLY A 124 -17.835 25.408 -13.450 1.00 0.00 O ATOM 0 H GLY A 124 -18.698 22.497 -14.542 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -16.491 22.720 -12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -16.341 23.545 -14.142 1.00 0.00 H new TER 1964 GLY A 124 HETATM 1965 ZN ZN A 200 -1.473 -0.558 18.302 1.00 0.00 ZN HETATM 1966 ZN ZN A 300 -10.090 -11.706 -2.246 1.00 0.00 ZN HETATM 1967 ZN ZN A 400 18.440 0.365 -2.177 1.00 0.00 ZN HETATM 1968 ZN ZN A 500 -1.289 13.239 -10.721 1.00 0.00 ZN