USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=40 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 112 SER OG : rot 180:sc= 0.238 USER MOD Set 1.2: A 116 LYS NZ :NH3+ -171:sc= 0.257 (180deg=0) USER MOD Set 2.1: A 107 LYS NZ :NH3+ 158:sc= 0.442 (180deg=0) USER MOD Set 2.2: A 111 GLN :FLIP amide:sc= 0.372 F(o=-0.66,f=0.81) USER MOD Set 3.1: A 93 MET CE :methyl -133:sc= -1.16 (180deg=-0.957) USER MOD Set 3.2: A 105 MET CE :methyl 155:sc= -1.89 (180deg=-1.64) USER MOD Set 4.1: A 45 TYR OH : rot -33:sc= 0.319 USER MOD Set 4.2: A 73 GLN : amide:sc= -0.565 X(o=-0.25,f=0.0068) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.0461 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0475 X(o=-0.047,f=-0.047) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -134:sc= -0.0115 (180deg=-1.11) USER MOD Single : A 27 ASN : amide:sc= -4.05! C(o=-4.1!,f=-7.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= 1.24 (180deg=0.533) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -135:sc= 0.178 (180deg=0) USER MOD Single : A 44 CYS SG : rot 24:sc= 0.243 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.9!) USER MOD Single : A 58 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 60 MET CE :methyl 165:sc= -0.0411 (180deg=-0.344) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.482 F(o=-2!,f=-0.48) 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 -14:sc= 0.949 USER MOD Single : A 75 THR OG1 : rot 32:sc= 0.0233 USER MOD Single : A 80 MET CE :methyl -140:sc= -3.43! (180deg=-8.22!) USER MOD Single : A 86 MET CE :methyl 160:sc= -4.21! (180deg=-6.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -54:sc= 0.663 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= -1.24 (180deg=-2.69!) 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= 0 K(o=0,f=-0.55) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.168 F(o=-1.4,f=-0.17) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -124:sc= -1.9 (180deg=-2.89) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0825 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.778 -20.026 20.351 1.00 0.00 N ATOM 2 CA GLY A 1 8.520 -20.025 19.104 1.00 0.00 C ATOM 3 C GLY A 1 8.970 -18.636 18.698 1.00 0.00 C ATOM 4 O GLY A 1 9.866 -18.061 19.317 1.00 0.00 O ATOM 0 H1 GLY A 1 7.493 -20.999 20.585 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.378 -19.649 21.112 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.931 -19.432 20.251 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.392 -20.671 19.203 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.898 -20.447 18.315 1.00 0.00 H new ATOM 8 N SER A 2 8.350 -18.095 17.655 1.00 0.00 N ATOM 9 CA SER A 2 8.696 -16.766 17.164 1.00 0.00 C ATOM 10 C SER A 2 8.722 -15.755 18.306 1.00 0.00 C ATOM 11 O SER A 2 7.809 -15.709 19.129 1.00 0.00 O ATOM 12 CB SER A 2 7.698 -16.319 16.094 1.00 0.00 C ATOM 13 OG SER A 2 7.651 -17.245 15.022 1.00 0.00 O ATOM 0 H SER A 2 7.605 -18.556 17.133 1.00 0.00 H new ATOM 0 HA SER A 2 9.692 -16.816 16.724 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.707 -16.219 16.536 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.980 -15.336 15.717 1.00 0.00 H new ATOM 0 HG SER A 2 7.005 -16.938 14.352 1.00 0.00 H new ATOM 19 N SER A 3 9.776 -14.946 18.347 1.00 0.00 N ATOM 20 CA SER A 3 9.925 -13.937 19.390 1.00 0.00 C ATOM 21 C SER A 3 10.238 -12.573 18.784 1.00 0.00 C ATOM 22 O SER A 3 10.627 -12.471 17.622 1.00 0.00 O ATOM 23 CB SER A 3 11.031 -14.341 20.366 1.00 0.00 C ATOM 24 OG SER A 3 10.530 -15.193 21.381 1.00 0.00 O ATOM 0 H SER A 3 10.539 -14.969 17.671 1.00 0.00 H new ATOM 0 HA SER A 3 8.982 -13.867 19.931 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.831 -14.846 19.825 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.466 -13.449 20.817 1.00 0.00 H new ATOM 0 HG SER A 3 11.257 -15.438 21.991 1.00 0.00 H new ATOM 30 N GLY A 4 10.064 -11.524 19.583 1.00 0.00 N ATOM 31 CA GLY A 4 10.332 -10.178 19.109 1.00 0.00 C ATOM 32 C GLY A 4 11.280 -9.421 20.019 1.00 0.00 C ATOM 33 O GLY A 4 12.186 -10.009 20.609 1.00 0.00 O ATOM 0 H GLY A 4 9.743 -11.582 20.549 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.757 -10.227 18.106 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.393 -9.630 19.031 1.00 0.00 H new ATOM 37 N SER A 5 11.071 -8.114 20.132 1.00 0.00 N ATOM 38 CA SER A 5 11.917 -7.274 20.972 1.00 0.00 C ATOM 39 C SER A 5 11.200 -5.980 21.344 1.00 0.00 C ATOM 40 O SER A 5 10.121 -5.685 20.829 1.00 0.00 O ATOM 41 CB SER A 5 13.229 -6.955 20.253 1.00 0.00 C ATOM 42 OG SER A 5 14.181 -6.407 21.149 1.00 0.00 O ATOM 0 H SER A 5 10.323 -7.613 19.652 1.00 0.00 H new ATOM 0 HA SER A 5 12.137 -7.823 21.888 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.630 -7.862 19.802 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.041 -6.252 19.442 1.00 0.00 H new ATOM 0 HG SER A 5 15.011 -6.213 20.666 1.00 0.00 H new ATOM 48 N SER A 6 11.807 -5.211 22.242 1.00 0.00 N ATOM 49 CA SER A 6 11.226 -3.950 22.687 1.00 0.00 C ATOM 50 C SER A 6 10.611 -3.192 21.515 1.00 0.00 C ATOM 51 O SER A 6 11.261 -2.970 20.494 1.00 0.00 O ATOM 52 CB SER A 6 12.290 -3.086 23.367 1.00 0.00 C ATOM 53 OG SER A 6 11.725 -1.891 23.878 1.00 0.00 O ATOM 0 H SER A 6 12.701 -5.439 22.676 1.00 0.00 H new ATOM 0 HA SER A 6 10.438 -4.175 23.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.756 -3.647 24.177 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.077 -2.844 22.653 1.00 0.00 H new ATOM 0 HG SER A 6 12.424 -1.357 24.309 1.00 0.00 H new ATOM 59 N GLY A 7 9.351 -2.797 21.670 1.00 0.00 N ATOM 60 CA GLY A 7 8.667 -2.068 20.617 1.00 0.00 C ATOM 61 C GLY A 7 7.171 -1.988 20.845 1.00 0.00 C ATOM 62 O GLY A 7 6.656 -2.515 21.832 1.00 0.00 O ATOM 0 H GLY A 7 8.792 -2.969 22.506 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.076 -1.060 20.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.860 -2.552 19.660 1.00 0.00 H new ATOM 66 N VAL A 8 6.469 -1.325 19.931 1.00 0.00 N ATOM 67 CA VAL A 8 5.023 -1.177 20.037 1.00 0.00 C ATOM 68 C VAL A 8 4.311 -2.484 19.710 1.00 0.00 C ATOM 69 O VAL A 8 4.951 -3.509 19.478 1.00 0.00 O ATOM 70 CB VAL A 8 4.501 -0.072 19.098 1.00 0.00 C ATOM 71 CG1 VAL A 8 5.091 1.277 19.481 1.00 0.00 C ATOM 72 CG2 VAL A 8 4.820 -0.411 17.650 1.00 0.00 C ATOM 0 H VAL A 8 6.879 -0.882 19.109 1.00 0.00 H new ATOM 0 HA VAL A 8 4.809 -0.898 21.069 1.00 0.00 H new ATOM 0 HB VAL A 8 3.418 -0.010 19.203 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.711 2.045 18.807 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.808 1.520 20.505 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.178 1.234 19.406 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.445 0.379 17.000 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.899 -0.500 17.527 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.345 -1.355 17.384 1.00 0.00 H new ATOM 82 N GLU A 9 2.982 -2.441 19.693 1.00 0.00 N ATOM 83 CA GLU A 9 2.183 -3.623 19.394 1.00 0.00 C ATOM 84 C GLU A 9 0.831 -3.232 18.806 1.00 0.00 C ATOM 85 O GLU A 9 0.209 -2.262 19.242 1.00 0.00 O ATOM 86 CB GLU A 9 1.980 -4.461 20.658 1.00 0.00 C ATOM 87 CG GLU A 9 1.206 -5.747 20.418 1.00 0.00 C ATOM 88 CD GLU A 9 1.462 -6.790 21.488 1.00 0.00 C ATOM 89 OE1 GLU A 9 0.873 -6.673 22.583 1.00 0.00 O ATOM 90 OE2 GLU A 9 2.252 -7.723 21.232 1.00 0.00 O ATOM 0 H GLU A 9 2.437 -1.600 19.883 1.00 0.00 H new ATOM 0 HA GLU A 9 2.722 -4.217 18.656 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.954 -4.707 21.081 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.452 -3.862 21.400 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.140 -5.524 20.381 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.480 -6.155 19.445 1.00 0.00 H new ATOM 97 N CYS A 10 0.381 -3.993 17.814 1.00 0.00 N ATOM 98 CA CYS A 10 -0.897 -3.727 17.165 1.00 0.00 C ATOM 99 C CYS A 10 -2.052 -4.295 17.984 1.00 0.00 C ATOM 100 O CYS A 10 -2.164 -5.504 18.191 1.00 0.00 O ATOM 101 CB CYS A 10 -0.912 -4.326 15.757 1.00 0.00 C ATOM 102 SG CYS A 10 -2.206 -3.643 14.672 1.00 0.00 S ATOM 0 H CYS A 10 0.883 -4.799 17.442 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.022 -2.647 17.094 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.060 -4.161 15.293 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.049 -5.405 15.834 1.00 0.00 H new ATOM 107 N PRO A 11 -2.934 -3.404 18.461 1.00 0.00 N ATOM 108 CA PRO A 11 -4.097 -3.793 19.264 1.00 0.00 C ATOM 109 C PRO A 11 -5.145 -4.537 18.444 1.00 0.00 C ATOM 110 O PRO A 11 -6.258 -4.779 18.912 1.00 0.00 O ATOM 111 CB PRO A 11 -4.653 -2.454 19.754 1.00 0.00 C ATOM 112 CG PRO A 11 -4.200 -1.461 18.740 1.00 0.00 C ATOM 113 CD PRO A 11 -2.863 -1.948 18.253 1.00 0.00 C ATOM 0 HA PRO A 11 -3.827 -4.478 20.068 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.740 -2.479 19.825 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.274 -2.207 20.746 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.912 -1.390 17.918 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.117 -0.466 19.178 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.702 -1.699 17.204 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.043 -1.501 18.816 1.00 0.00 H new ATOM 121 N THR A 12 -4.782 -4.900 17.217 1.00 0.00 N ATOM 122 CA THR A 12 -5.691 -5.616 16.332 1.00 0.00 C ATOM 123 C THR A 12 -5.187 -7.027 16.050 1.00 0.00 C ATOM 124 O THR A 12 -5.866 -8.011 16.346 1.00 0.00 O ATOM 125 CB THR A 12 -5.876 -4.873 14.996 1.00 0.00 C ATOM 126 OG1 THR A 12 -6.352 -3.544 15.236 1.00 0.00 O ATOM 127 CG2 THR A 12 -6.854 -5.613 14.095 1.00 0.00 C ATOM 0 H THR A 12 -3.864 -4.709 16.814 1.00 0.00 H new ATOM 0 HA THR A 12 -6.651 -5.672 16.844 1.00 0.00 H new ATOM 0 HB THR A 12 -4.909 -4.827 14.495 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.465 -3.078 14.381 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.968 -5.069 13.157 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.474 -6.614 13.890 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.821 -5.687 14.592 1.00 0.00 H new ATOM 135 N CYS A 13 -3.991 -7.119 15.478 1.00 0.00 N ATOM 136 CA CYS A 13 -3.395 -8.410 15.156 1.00 0.00 C ATOM 137 C CYS A 13 -2.359 -8.807 16.204 1.00 0.00 C ATOM 138 O CYS A 13 -1.916 -9.955 16.252 1.00 0.00 O ATOM 139 CB CYS A 13 -2.744 -8.364 13.772 1.00 0.00 C ATOM 140 SG CYS A 13 -1.306 -7.250 13.664 1.00 0.00 S ATOM 0 H CYS A 13 -3.416 -6.315 15.228 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.188 -9.158 15.153 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.432 -9.371 13.495 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.490 -8.050 13.042 1.00 0.00 H new ATOM 145 N HIS A 14 -1.978 -7.849 17.044 1.00 0.00 N ATOM 146 CA HIS A 14 -0.995 -8.099 18.092 1.00 0.00 C ATOM 147 C HIS A 14 0.391 -8.323 17.496 1.00 0.00 C ATOM 148 O HIS A 14 1.114 -9.233 17.901 1.00 0.00 O ATOM 149 CB HIS A 14 -1.406 -9.312 18.927 1.00 0.00 C ATOM 150 CG HIS A 14 -2.821 -9.252 19.415 1.00 0.00 C ATOM 151 ND1 HIS A 14 -3.274 -8.291 20.293 1.00 0.00 N ATOM 152 CD2 HIS A 14 -3.885 -10.042 19.141 1.00 0.00 C ATOM 153 CE1 HIS A 14 -4.556 -8.492 20.539 1.00 0.00 C ATOM 154 NE2 HIS A 14 -4.952 -9.549 19.852 1.00 0.00 N ATOM 0 H HIS A 14 -2.335 -6.894 17.019 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.956 -7.220 18.736 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.274 -10.215 18.331 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.738 -9.396 19.784 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.894 -10.900 18.485 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.175 -7.894 21.191 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.896 -9.936 19.850 1.00 0.00 H new ATOM 162 N LYS A 15 0.756 -7.486 16.530 1.00 0.00 N ATOM 163 CA LYS A 15 2.056 -7.592 15.877 1.00 0.00 C ATOM 164 C LYS A 15 2.974 -6.451 16.305 1.00 0.00 C ATOM 165 O LYS A 15 2.757 -5.295 15.940 1.00 0.00 O ATOM 166 CB LYS A 15 1.887 -7.581 14.356 1.00 0.00 C ATOM 167 CG LYS A 15 3.140 -7.994 13.602 1.00 0.00 C ATOM 168 CD LYS A 15 2.987 -7.778 12.106 1.00 0.00 C ATOM 169 CE LYS A 15 4.328 -7.857 11.392 1.00 0.00 C ATOM 170 NZ LYS A 15 4.693 -9.260 11.052 1.00 0.00 N ATOM 0 H LYS A 15 0.170 -6.727 16.182 1.00 0.00 H new ATOM 0 HA LYS A 15 2.512 -8.535 16.180 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.072 -8.252 14.084 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.595 -6.580 14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.992 -7.421 13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.355 -9.044 13.799 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.311 -8.528 11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.532 -6.804 11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.290 -7.261 10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.102 -7.423 12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.613 -9.272 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.754 -9.824 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.967 -9.666 10.428 1.00 0.00 H new ATOM 184 N LYS A 16 4.000 -6.783 17.080 1.00 0.00 N ATOM 185 CA LYS A 16 4.954 -5.788 17.556 1.00 0.00 C ATOM 186 C LYS A 16 5.886 -5.346 16.432 1.00 0.00 C ATOM 187 O LYS A 16 6.151 -6.103 15.499 1.00 0.00 O ATOM 188 CB LYS A 16 5.772 -6.352 18.720 1.00 0.00 C ATOM 189 CG LYS A 16 4.941 -6.674 19.949 1.00 0.00 C ATOM 190 CD LYS A 16 5.759 -6.555 21.224 1.00 0.00 C ATOM 191 CE LYS A 16 5.277 -7.528 22.289 1.00 0.00 C ATOM 192 NZ LYS A 16 5.832 -8.894 22.084 1.00 0.00 N ATOM 0 H LYS A 16 4.193 -7.735 17.392 1.00 0.00 H new ATOM 0 HA LYS A 16 4.393 -4.919 17.901 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.282 -7.257 18.390 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.544 -5.632 18.992 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.087 -5.998 19.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.542 -7.685 19.865 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.809 -6.747 21.003 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.695 -5.536 21.605 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.568 -7.162 23.274 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.188 -7.572 22.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.480 -9.527 22.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.534 -9.254 21.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.871 -8.856 22.124 1.00 0.00 H new ATOM 206 N PHE A 17 6.381 -4.117 16.530 1.00 0.00 N ATOM 207 CA PHE A 17 7.284 -3.574 15.521 1.00 0.00 C ATOM 208 C PHE A 17 8.488 -2.902 16.174 1.00 0.00 C ATOM 209 O PHE A 17 8.594 -2.848 17.401 1.00 0.00 O ATOM 210 CB PHE A 17 6.546 -2.571 14.632 1.00 0.00 C ATOM 211 CG PHE A 17 5.506 -3.203 13.752 1.00 0.00 C ATOM 212 CD1 PHE A 17 4.305 -3.644 14.283 1.00 0.00 C ATOM 213 CD2 PHE A 17 5.729 -3.355 12.393 1.00 0.00 C ATOM 214 CE1 PHE A 17 3.345 -4.226 13.475 1.00 0.00 C ATOM 215 CE2 PHE A 17 4.773 -3.935 11.580 1.00 0.00 C ATOM 216 CZ PHE A 17 3.580 -4.372 12.122 1.00 0.00 C ATOM 0 H PHE A 17 6.173 -3.478 17.297 1.00 0.00 H new ATOM 0 HA PHE A 17 7.640 -4.400 14.906 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.070 -1.820 15.263 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.271 -2.049 14.007 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.116 -3.532 15.340 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.660 -3.016 11.964 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.413 -4.566 13.902 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.959 -4.046 10.522 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.833 -4.827 11.489 1.00 0.00 H new ATOM 226 N LEU A 18 9.393 -2.392 15.348 1.00 0.00 N ATOM 227 CA LEU A 18 10.592 -1.723 15.843 1.00 0.00 C ATOM 228 C LEU A 18 10.284 -0.286 16.252 1.00 0.00 C ATOM 229 O LEU A 18 10.837 0.225 17.226 1.00 0.00 O ATOM 230 CB LEU A 18 11.687 -1.738 14.775 1.00 0.00 C ATOM 231 CG LEU A 18 11.554 -0.698 13.663 1.00 0.00 C ATOM 232 CD1 LEU A 18 12.280 0.584 14.041 1.00 0.00 C ATOM 233 CD2 LEU A 18 12.090 -1.249 12.350 1.00 0.00 C ATOM 0 H LEU A 18 9.320 -2.428 14.331 1.00 0.00 H new ATOM 0 HA LEU A 18 10.943 -2.264 16.722 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.649 -1.593 15.267 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.708 -2.728 14.319 1.00 0.00 H new ATOM 0 HG LEU A 18 10.497 -0.468 13.533 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.174 1.313 13.237 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.850 0.989 14.957 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.337 0.370 14.200 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.987 -0.495 11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.142 -1.509 12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.525 -2.139 12.071 1.00 0.00 H new ATOM 245 N SER A 19 9.396 0.359 15.502 1.00 0.00 N ATOM 246 CA SER A 19 9.015 1.738 15.786 1.00 0.00 C ATOM 247 C SER A 19 7.538 1.968 15.479 1.00 0.00 C ATOM 248 O SER A 19 6.993 1.399 14.532 1.00 0.00 O ATOM 249 CB SER A 19 9.874 2.705 14.968 1.00 0.00 C ATOM 250 OG SER A 19 9.475 4.048 15.183 1.00 0.00 O ATOM 0 H SER A 19 8.927 -0.051 14.694 1.00 0.00 H new ATOM 0 HA SER A 19 9.181 1.924 16.847 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.922 2.586 15.241 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.791 2.463 13.908 1.00 0.00 H new ATOM 0 HG SER A 19 10.040 4.646 14.651 1.00 0.00 H new ATOM 256 N LYS A 20 6.896 2.805 16.286 1.00 0.00 N ATOM 257 CA LYS A 20 5.483 3.113 16.102 1.00 0.00 C ATOM 258 C LYS A 20 5.186 3.459 14.646 1.00 0.00 C ATOM 259 O LYS A 20 4.217 2.969 14.067 1.00 0.00 O ATOM 260 CB LYS A 20 5.071 4.275 17.008 1.00 0.00 C ATOM 261 CG LYS A 20 3.567 4.458 17.118 1.00 0.00 C ATOM 262 CD LYS A 20 2.983 3.614 18.238 1.00 0.00 C ATOM 263 CE LYS A 20 3.331 4.184 19.605 1.00 0.00 C ATOM 264 NZ LYS A 20 2.446 3.643 20.673 1.00 0.00 N ATOM 0 H LYS A 20 7.332 3.283 17.075 1.00 0.00 H new ATOM 0 HA LYS A 20 4.906 2.228 16.371 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.482 4.111 18.004 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.514 5.196 16.628 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.340 5.509 17.297 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.096 4.186 16.173 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.900 3.562 18.129 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.360 2.594 18.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.369 3.952 19.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.245 5.270 19.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.715 4.056 21.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.457 3.886 20.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.546 2.609 20.716 1.00 0.00 H new ATOM 278 N TYR A 21 6.026 4.305 14.061 1.00 0.00 N ATOM 279 CA TYR A 21 5.853 4.718 12.674 1.00 0.00 C ATOM 280 C TYR A 21 5.335 3.562 11.823 1.00 0.00 C ATOM 281 O TYR A 21 4.262 3.650 11.225 1.00 0.00 O ATOM 282 CB TYR A 21 7.176 5.232 12.104 1.00 0.00 C ATOM 283 CG TYR A 21 7.141 5.470 10.611 1.00 0.00 C ATOM 284 CD1 TYR A 21 7.288 4.417 9.716 1.00 0.00 C ATOM 285 CD2 TYR A 21 6.961 6.747 10.095 1.00 0.00 C ATOM 286 CE1 TYR A 21 7.257 4.630 8.351 1.00 0.00 C ATOM 287 CE2 TYR A 21 6.927 6.969 8.732 1.00 0.00 C ATOM 288 CZ TYR A 21 7.076 5.907 7.864 1.00 0.00 C ATOM 289 OH TYR A 21 7.044 6.124 6.506 1.00 0.00 O ATOM 0 H TYR A 21 6.834 4.718 14.526 1.00 0.00 H new ATOM 0 HA TYR A 21 5.118 5.522 12.650 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.441 6.163 12.606 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.963 4.513 12.330 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.429 3.415 10.094 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.846 7.581 10.771 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.374 3.801 7.669 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.785 7.968 8.348 1.00 0.00 H new ATOM 0 HH TYR A 21 6.908 7.078 6.330 1.00 0.00 H new ATOM 299 N TYR A 22 6.104 2.480 11.774 1.00 0.00 N ATOM 300 CA TYR A 22 5.724 1.307 10.996 1.00 0.00 C ATOM 301 C TYR A 22 4.385 0.750 11.468 1.00 0.00 C ATOM 302 O TYR A 22 3.509 0.438 10.660 1.00 0.00 O ATOM 303 CB TYR A 22 6.804 0.229 11.101 1.00 0.00 C ATOM 304 CG TYR A 22 8.089 0.587 10.391 1.00 0.00 C ATOM 305 CD1 TYR A 22 8.077 1.044 9.078 1.00 0.00 C ATOM 306 CD2 TYR A 22 9.317 0.469 11.031 1.00 0.00 C ATOM 307 CE1 TYR A 22 9.249 1.372 8.425 1.00 0.00 C ATOM 308 CE2 TYR A 22 10.494 0.796 10.387 1.00 0.00 C ATOM 309 CZ TYR A 22 10.455 1.247 9.084 1.00 0.00 C ATOM 310 OH TYR A 22 11.625 1.573 8.437 1.00 0.00 O ATOM 0 H TYR A 22 6.994 2.391 12.264 1.00 0.00 H new ATOM 0 HA TYR A 22 5.623 1.610 9.954 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.020 0.044 12.153 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.417 -0.702 10.687 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.135 1.144 8.560 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.351 0.115 12.051 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.222 1.724 7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.439 0.699 10.900 1.00 0.00 H new ATOM 0 HH TYR A 22 12.384 1.430 9.041 1.00 0.00 H new ATOM 320 N LEU A 23 4.233 0.628 12.782 1.00 0.00 N ATOM 321 CA LEU A 23 3.000 0.109 13.364 1.00 0.00 C ATOM 322 C LEU A 23 1.786 0.866 12.834 1.00 0.00 C ATOM 323 O LEU A 23 0.816 0.262 12.375 1.00 0.00 O ATOM 324 CB LEU A 23 3.051 0.210 14.890 1.00 0.00 C ATOM 325 CG LEU A 23 1.736 -0.051 15.624 1.00 0.00 C ATOM 326 CD1 LEU A 23 1.259 -1.474 15.376 1.00 0.00 C ATOM 327 CD2 LEU A 23 1.898 0.206 17.116 1.00 0.00 C ATOM 0 H LEU A 23 4.948 0.881 13.464 1.00 0.00 H new ATOM 0 HA LEU A 23 2.906 -0.938 13.078 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.795 -0.497 15.256 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.401 1.207 15.157 1.00 0.00 H new ATOM 0 HG LEU A 23 0.983 0.636 15.236 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.322 -1.641 15.907 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.103 -1.625 14.308 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.010 -2.177 15.736 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.952 0.015 17.623 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.665 -0.456 17.518 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.193 1.243 17.277 1.00 0.00 H new ATOM 339 N LYS A 24 1.848 2.192 12.898 1.00 0.00 N ATOM 340 CA LYS A 24 0.756 3.033 12.421 1.00 0.00 C ATOM 341 C LYS A 24 0.426 2.722 10.965 1.00 0.00 C ATOM 342 O LYS A 24 -0.665 2.244 10.654 1.00 0.00 O ATOM 343 CB LYS A 24 1.123 4.511 12.568 1.00 0.00 C ATOM 344 CG LYS A 24 1.461 4.916 13.992 1.00 0.00 C ATOM 345 CD LYS A 24 2.100 6.293 14.044 1.00 0.00 C ATOM 346 CE LYS A 24 1.053 7.396 14.017 1.00 0.00 C ATOM 347 NZ LYS A 24 0.652 7.746 12.626 1.00 0.00 N ATOM 0 H LYS A 24 2.643 2.707 13.276 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.125 2.821 13.027 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.975 4.731 11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.291 5.120 12.214 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.554 4.912 14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.139 4.183 14.428 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.701 6.382 14.949 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.778 6.413 13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.175 7.077 14.579 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.446 8.282 14.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.639 8.780 12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.333 7.337 11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.296 7.365 12.432 1.00 0.00 H new ATOM 361 N VAL A 25 1.376 2.995 10.076 1.00 0.00 N ATOM 362 CA VAL A 25 1.187 2.742 8.653 1.00 0.00 C ATOM 363 C VAL A 25 0.661 1.331 8.411 1.00 0.00 C ATOM 364 O VAL A 25 -0.081 1.089 7.458 1.00 0.00 O ATOM 365 CB VAL A 25 2.500 2.930 7.870 1.00 0.00 C ATOM 366 CG1 VAL A 25 2.278 2.678 6.386 1.00 0.00 C ATOM 367 CG2 VAL A 25 3.065 4.322 8.104 1.00 0.00 C ATOM 0 H VAL A 25 2.284 3.392 10.317 1.00 0.00 H new ATOM 0 HA VAL A 25 0.454 3.466 8.297 1.00 0.00 H new ATOM 0 HB VAL A 25 3.226 2.203 8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.217 2.816 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.922 1.658 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.536 3.380 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.993 4.437 7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.344 5.068 7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.264 4.460 9.167 1.00 0.00 H new ATOM 377 N HIS A 26 1.050 0.403 9.279 1.00 0.00 N ATOM 378 CA HIS A 26 0.617 -0.985 9.160 1.00 0.00 C ATOM 379 C HIS A 26 -0.869 -1.119 9.480 1.00 0.00 C ATOM 380 O HIS A 26 -1.604 -1.814 8.779 1.00 0.00 O ATOM 381 CB HIS A 26 1.433 -1.878 10.095 1.00 0.00 C ATOM 382 CG HIS A 26 0.681 -3.075 10.588 1.00 0.00 C ATOM 383 ND1 HIS A 26 0.846 -4.338 10.060 1.00 0.00 N ATOM 384 CD2 HIS A 26 -0.244 -3.197 11.569 1.00 0.00 C ATOM 385 CE1 HIS A 26 0.054 -5.184 10.694 1.00 0.00 C ATOM 386 NE2 HIS A 26 -0.618 -4.517 11.615 1.00 0.00 N ATOM 0 H HIS A 26 1.664 0.587 10.072 1.00 0.00 H new ATOM 0 HA HIS A 26 0.780 -1.304 8.131 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.330 -2.212 9.574 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.763 -1.289 10.951 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.480 -4.581 9.299 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.618 -2.403 12.199 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.030 -6.242 10.493 1.00 0.00 H new ATOM 394 N ASN A 27 -1.305 -0.449 10.542 1.00 0.00 N ATOM 395 CA ASN A 27 -2.703 -0.495 10.954 1.00 0.00 C ATOM 396 C ASN A 27 -3.607 0.095 9.877 1.00 0.00 C ATOM 397 O ASN A 27 -4.794 -0.224 9.805 1.00 0.00 O ATOM 398 CB ASN A 27 -2.893 0.265 12.269 1.00 0.00 C ATOM 399 CG ASN A 27 -3.228 1.728 12.048 1.00 0.00 C ATOM 400 OD1 ASN A 27 -2.397 2.607 12.276 1.00 0.00 O ATOM 401 ND2 ASN A 27 -4.450 1.994 11.601 1.00 0.00 N ATOM 0 H ASN A 27 -0.710 0.132 11.133 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.979 -1.539 11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.690 -0.205 12.845 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.983 0.189 12.864 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.733 2.960 11.433 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.106 1.233 11.426 1.00 0.00 H new ATOM 408 N ARG A 28 -3.038 0.958 9.041 1.00 0.00 N ATOM 409 CA ARG A 28 -3.793 1.593 7.967 1.00 0.00 C ATOM 410 C ARG A 28 -4.813 0.626 7.374 1.00 0.00 C ATOM 411 O ARG A 28 -5.955 0.998 7.105 1.00 0.00 O ATOM 412 CB ARG A 28 -2.846 2.087 6.872 1.00 0.00 C ATOM 413 CG ARG A 28 -1.800 3.072 7.370 1.00 0.00 C ATOM 414 CD ARG A 28 -2.339 4.494 7.389 1.00 0.00 C ATOM 415 NE ARG A 28 -1.287 5.480 7.156 1.00 0.00 N ATOM 416 CZ ARG A 28 -0.987 5.965 5.956 1.00 0.00 C ATOM 417 NH1 ARG A 28 -1.656 5.556 4.886 1.00 0.00 N ATOM 418 NH2 ARG A 28 -0.017 6.860 5.824 1.00 0.00 N ATOM 0 H ARG A 28 -2.057 1.233 9.087 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.327 2.445 8.387 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.342 1.230 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.431 2.559 6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.481 2.789 8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.919 3.024 6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.111 4.600 6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.813 4.690 8.351 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.753 5.815 7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.402 4.868 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.424 5.930 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.500 7.177 6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.212 7.231 4.902 1.00 0.00 H new ATOM 432 N LYS A 29 -4.392 -0.618 7.171 1.00 0.00 N ATOM 433 CA LYS A 29 -5.268 -1.640 6.610 1.00 0.00 C ATOM 434 C LYS A 29 -6.423 -1.947 7.558 1.00 0.00 C ATOM 435 O LYS A 29 -7.589 -1.747 7.217 1.00 0.00 O ATOM 436 CB LYS A 29 -4.476 -2.918 6.323 1.00 0.00 C ATOM 437 CG LYS A 29 -3.359 -2.727 5.312 1.00 0.00 C ATOM 438 CD LYS A 29 -3.870 -2.848 3.886 1.00 0.00 C ATOM 439 CE LYS A 29 -2.724 -2.937 2.889 1.00 0.00 C ATOM 440 NZ LYS A 29 -3.215 -3.113 1.495 1.00 0.00 N ATOM 0 H LYS A 29 -3.449 -0.943 7.387 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.680 -1.257 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.051 -3.289 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.159 -3.684 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.902 -1.747 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.580 -3.470 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.500 -3.733 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.495 -1.987 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.119 -2.032 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.076 -3.772 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.404 -3.169 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.771 -3.989 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.813 -2.303 1.233 1.00 0.00 H new ATOM 454 N HIS A 30 -6.091 -2.433 8.750 1.00 0.00 N ATOM 455 CA HIS A 30 -7.101 -2.766 9.748 1.00 0.00 C ATOM 456 C HIS A 30 -8.288 -1.811 9.659 1.00 0.00 C ATOM 457 O HIS A 30 -9.421 -2.232 9.422 1.00 0.00 O ATOM 458 CB HIS A 30 -6.497 -2.717 11.152 1.00 0.00 C ATOM 459 CG HIS A 30 -5.590 -3.870 11.454 1.00 0.00 C ATOM 460 ND1 HIS A 30 -5.835 -5.155 11.016 1.00 0.00 N ATOM 461 CD2 HIS A 30 -4.432 -3.926 12.152 1.00 0.00 C ATOM 462 CE1 HIS A 30 -4.867 -5.952 11.435 1.00 0.00 C ATOM 463 NE2 HIS A 30 -4.003 -5.231 12.126 1.00 0.00 N ATOM 0 H HIS A 30 -5.131 -2.605 9.048 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.454 -3.777 9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.940 -1.787 11.267 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.303 -2.698 11.885 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.637 -5.445 10.457 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.937 -3.099 12.639 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.795 -7.013 11.245 1.00 0.00 H new ATOM 471 N THR A 31 -8.021 -0.523 9.851 1.00 0.00 N ATOM 472 CA THR A 31 -9.067 0.491 9.795 1.00 0.00 C ATOM 473 C THR A 31 -9.662 0.589 8.395 1.00 0.00 C ATOM 474 O THR A 31 -8.953 0.456 7.398 1.00 0.00 O ATOM 475 CB THR A 31 -8.531 1.874 10.211 1.00 0.00 C ATOM 476 OG1 THR A 31 -9.585 2.842 10.162 1.00 0.00 O ATOM 477 CG2 THR A 31 -7.392 2.309 9.302 1.00 0.00 C ATOM 0 H THR A 31 -7.089 -0.157 10.047 1.00 0.00 H new ATOM 0 HA THR A 31 -9.843 0.185 10.496 1.00 0.00 H new ATOM 0 HB THR A 31 -8.152 1.801 11.230 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.237 3.718 10.429 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.030 3.288 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.580 1.585 9.365 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.749 2.366 8.274 1.00 0.00 H new ATOM 485 N GLY A 32 -10.969 0.824 8.328 1.00 0.00 N ATOM 486 CA GLY A 32 -11.637 0.937 7.044 1.00 0.00 C ATOM 487 C GLY A 32 -12.427 -0.307 6.691 1.00 0.00 C ATOM 488 O GLY A 32 -11.858 -1.308 6.256 1.00 0.00 O ATOM 0 H GLY A 32 -11.577 0.938 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.307 1.797 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.896 1.126 6.267 1.00 0.00 H new ATOM 492 N GLU A 33 -13.742 -0.245 6.878 1.00 0.00 N ATOM 493 CA GLU A 33 -14.610 -1.377 6.578 1.00 0.00 C ATOM 494 C GLU A 33 -14.249 -1.997 5.231 1.00 0.00 C ATOM 495 O GLU A 33 -13.863 -1.297 4.295 1.00 0.00 O ATOM 496 CB GLU A 33 -16.076 -0.937 6.573 1.00 0.00 C ATOM 497 CG GLU A 33 -17.050 -2.071 6.301 1.00 0.00 C ATOM 498 CD GLU A 33 -18.497 -1.621 6.352 1.00 0.00 C ATOM 499 OE1 GLU A 33 -18.780 -0.483 5.921 1.00 0.00 O ATOM 500 OE2 GLU A 33 -19.347 -2.405 6.824 1.00 0.00 O ATOM 0 H GLU A 33 -14.229 0.577 7.236 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.466 -2.128 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.315 -0.487 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.212 -0.163 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.840 -2.498 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.894 -2.863 7.033 1.00 0.00 H new ATOM 507 N LYS A 34 -14.378 -3.317 5.141 1.00 0.00 N ATOM 508 CA LYS A 34 -14.067 -4.034 3.910 1.00 0.00 C ATOM 509 C LYS A 34 -15.140 -5.071 3.598 1.00 0.00 C ATOM 510 O LYS A 34 -15.766 -5.640 4.492 1.00 0.00 O ATOM 511 CB LYS A 34 -12.701 -4.716 4.023 1.00 0.00 C ATOM 512 CG LYS A 34 -11.538 -3.741 4.094 1.00 0.00 C ATOM 513 CD LYS A 34 -11.283 -3.080 2.750 1.00 0.00 C ATOM 514 CE LYS A 34 -10.441 -1.822 2.898 1.00 0.00 C ATOM 515 NZ LYS A 34 -11.209 -0.713 3.530 1.00 0.00 N ATOM 0 H LYS A 34 -14.696 -3.912 5.906 1.00 0.00 H new ATOM 0 HA LYS A 34 -14.039 -3.310 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.691 -5.346 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.561 -5.374 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.748 -2.977 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.640 -4.267 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.776 -3.782 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.234 -2.829 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.560 -2.043 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.085 -1.505 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.013 0.176 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.226 -0.922 3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.924 -0.617 4.526 1.00 0.00 H new ATOM 529 N PRO A 35 -15.360 -5.325 2.299 1.00 0.00 N ATOM 530 CA PRO A 35 -16.356 -6.297 1.840 1.00 0.00 C ATOM 531 C PRO A 35 -15.953 -7.734 2.154 1.00 0.00 C ATOM 532 O PRO A 35 -16.729 -8.495 2.732 1.00 0.00 O ATOM 533 CB PRO A 35 -16.400 -6.072 0.326 1.00 0.00 C ATOM 534 CG PRO A 35 -15.064 -5.505 -0.011 1.00 0.00 C ATOM 535 CD PRO A 35 -14.651 -4.684 1.179 1.00 0.00 C ATOM 0 HA PRO A 35 -17.318 -6.158 2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.580 -7.005 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -17.202 -5.387 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.342 -6.298 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.116 -4.891 -0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.571 -4.702 1.324 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -14.940 -3.639 1.066 1.00 0.00 H new ATOM 543 N PHE A 36 -14.734 -8.098 1.770 1.00 0.00 N ATOM 544 CA PHE A 36 -14.228 -9.445 2.011 1.00 0.00 C ATOM 545 C PHE A 36 -12.790 -9.402 2.518 1.00 0.00 C ATOM 546 O PHE A 36 -12.127 -8.368 2.449 1.00 0.00 O ATOM 547 CB PHE A 36 -14.305 -10.278 0.730 1.00 0.00 C ATOM 548 CG PHE A 36 -15.702 -10.439 0.202 1.00 0.00 C ATOM 549 CD1 PHE A 36 -16.249 -9.492 -0.648 1.00 0.00 C ATOM 550 CD2 PHE A 36 -16.467 -11.538 0.557 1.00 0.00 C ATOM 551 CE1 PHE A 36 -17.535 -9.638 -1.135 1.00 0.00 C ATOM 552 CE2 PHE A 36 -17.753 -11.690 0.073 1.00 0.00 C ATOM 553 CZ PHE A 36 -18.288 -10.738 -0.773 1.00 0.00 C ATOM 0 H PHE A 36 -14.079 -7.480 1.291 1.00 0.00 H new ATOM 0 HA PHE A 36 -14.851 -9.909 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -13.687 -9.809 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.882 -11.264 0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -15.665 -8.630 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -16.054 -12.284 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -17.950 -8.893 -1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -18.339 -12.552 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 36 -19.293 -10.854 -1.151 1.00 0.00 H new ATOM 563 N GLU A 37 -12.314 -10.534 3.028 1.00 0.00 N ATOM 564 CA GLU A 37 -10.955 -10.626 3.548 1.00 0.00 C ATOM 565 C GLU A 37 -10.533 -12.083 3.714 1.00 0.00 C ATOM 566 O GLU A 37 -11.259 -12.889 4.296 1.00 0.00 O ATOM 567 CB GLU A 37 -10.849 -9.897 4.889 1.00 0.00 C ATOM 568 CG GLU A 37 -9.450 -9.914 5.482 1.00 0.00 C ATOM 569 CD GLU A 37 -9.418 -9.430 6.918 1.00 0.00 C ATOM 570 OE1 GLU A 37 -9.874 -10.178 7.807 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.937 -8.301 7.152 1.00 0.00 O ATOM 0 H GLU A 37 -12.850 -11.400 3.092 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.286 -10.152 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.166 -8.863 4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.540 -10.354 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.052 -10.928 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.795 -9.287 4.877 1.00 0.00 H new ATOM 578 N CYS A 38 -9.355 -12.414 3.196 1.00 0.00 N ATOM 579 CA CYS A 38 -8.835 -13.773 3.284 1.00 0.00 C ATOM 580 C CYS A 38 -9.023 -14.337 4.690 1.00 0.00 C ATOM 581 O CYS A 38 -8.402 -13.890 5.654 1.00 0.00 O ATOM 582 CB CYS A 38 -7.352 -13.799 2.907 1.00 0.00 C ATOM 583 SG CYS A 38 -6.733 -15.448 2.439 1.00 0.00 S ATOM 0 H CYS A 38 -8.742 -11.759 2.711 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.393 -14.395 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.187 -13.112 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.767 -13.429 3.749 1.00 0.00 H new ATOM 588 N PRO A 39 -9.901 -15.344 4.810 1.00 0.00 N ATOM 589 CA PRO A 39 -10.192 -15.992 6.092 1.00 0.00 C ATOM 590 C PRO A 39 -9.019 -16.824 6.600 1.00 0.00 C ATOM 591 O PRO A 39 -9.078 -17.401 7.686 1.00 0.00 O ATOM 592 CB PRO A 39 -11.387 -16.893 5.772 1.00 0.00 C ATOM 593 CG PRO A 39 -11.275 -17.166 4.312 1.00 0.00 C ATOM 594 CD PRO A 39 -10.678 -15.928 3.703 1.00 0.00 C ATOM 0 HA PRO A 39 -10.388 -15.265 6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.353 -17.816 6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.329 -16.401 6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.645 -18.036 4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.252 -17.381 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.044 -16.166 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.448 -15.243 3.348 1.00 0.00 H new ATOM 602 N LYS A 40 -7.953 -16.881 5.808 1.00 0.00 N ATOM 603 CA LYS A 40 -6.765 -17.641 6.178 1.00 0.00 C ATOM 604 C LYS A 40 -5.723 -16.739 6.831 1.00 0.00 C ATOM 605 O LYS A 40 -5.147 -17.084 7.863 1.00 0.00 O ATOM 606 CB LYS A 40 -6.165 -18.321 4.945 1.00 0.00 C ATOM 607 CG LYS A 40 -6.995 -19.483 4.426 1.00 0.00 C ATOM 608 CD LYS A 40 -6.127 -20.530 3.750 1.00 0.00 C ATOM 609 CE LYS A 40 -5.652 -21.583 4.739 1.00 0.00 C ATOM 610 NZ LYS A 40 -5.132 -22.797 4.050 1.00 0.00 N ATOM 0 H LYS A 40 -7.888 -16.410 4.906 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.062 -18.404 6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.053 -17.582 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.165 -18.680 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.540 -19.939 5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.738 -19.114 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.690 -21.009 2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.265 -20.047 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.870 -21.161 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.476 -21.863 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.818 -23.491 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.885 -23.214 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.329 -22.535 3.443 1.00 0.00 H new ATOM 624 N CYS A 41 -5.488 -15.580 6.225 1.00 0.00 N ATOM 625 CA CYS A 41 -4.516 -14.627 6.748 1.00 0.00 C ATOM 626 C CYS A 41 -5.211 -13.370 7.264 1.00 0.00 C ATOM 627 O CYS A 41 -4.909 -12.883 8.352 1.00 0.00 O ATOM 628 CB CYS A 41 -3.502 -14.254 5.664 1.00 0.00 C ATOM 629 SG CYS A 41 -4.229 -13.404 4.226 1.00 0.00 S ATOM 0 H CYS A 41 -5.957 -15.278 5.371 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.992 -15.099 7.579 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.737 -13.613 6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.002 -15.160 5.322 1.00 0.00 H new ATOM 634 N GLY A 42 -6.145 -12.849 6.473 1.00 0.00 N ATOM 635 CA GLY A 42 -6.868 -11.654 6.866 1.00 0.00 C ATOM 636 C GLY A 42 -6.569 -10.473 5.965 1.00 0.00 C ATOM 637 O GLY A 42 -6.481 -9.335 6.428 1.00 0.00 O ATOM 0 H GLY A 42 -6.413 -13.234 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.938 -11.859 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.609 -11.398 7.893 1.00 0.00 H new ATOM 641 N LYS A 43 -6.412 -10.741 4.673 1.00 0.00 N ATOM 642 CA LYS A 43 -6.120 -9.692 3.703 1.00 0.00 C ATOM 643 C LYS A 43 -7.398 -9.204 3.029 1.00 0.00 C ATOM 644 O LYS A 43 -8.025 -9.936 2.261 1.00 0.00 O ATOM 645 CB LYS A 43 -5.137 -10.203 2.648 1.00 0.00 C ATOM 646 CG LYS A 43 -4.234 -9.121 2.082 1.00 0.00 C ATOM 647 CD LYS A 43 -4.928 -8.334 0.983 1.00 0.00 C ATOM 648 CE LYS A 43 -4.284 -6.971 0.780 1.00 0.00 C ATOM 649 NZ LYS A 43 -4.643 -6.378 -0.537 1.00 0.00 N ATOM 0 H LYS A 43 -6.482 -11.677 4.273 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.668 -8.855 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.520 -10.986 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.698 -10.660 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.932 -8.443 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.325 -9.574 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.890 -8.898 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.981 -8.206 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.598 -6.299 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.201 -7.067 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.790 -5.985 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.049 -7.114 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.341 -5.620 -0.398 1.00 0.00 H new ATOM 663 N CYS A 44 -7.779 -7.964 3.319 1.00 0.00 N ATOM 664 CA CYS A 44 -8.982 -7.379 2.739 1.00 0.00 C ATOM 665 C CYS A 44 -8.828 -7.199 1.232 1.00 0.00 C ATOM 666 O CYS A 44 -7.805 -6.705 0.757 1.00 0.00 O ATOM 667 CB CYS A 44 -9.287 -6.032 3.397 1.00 0.00 C ATOM 668 SG CYS A 44 -8.053 -4.753 3.067 1.00 0.00 S ATOM 0 H CYS A 44 -7.272 -7.345 3.952 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.812 -8.061 2.922 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.259 -5.682 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -9.366 -6.176 4.475 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.426 -5.030 1.962 1.00 0.00 H new ATOM 674 N TYR A 45 -9.850 -7.603 0.486 1.00 0.00 N ATOM 675 CA TYR A 45 -9.826 -7.490 -0.967 1.00 0.00 C ATOM 676 C TYR A 45 -11.147 -6.935 -1.492 1.00 0.00 C ATOM 677 O TYR A 45 -12.137 -7.658 -1.605 1.00 0.00 O ATOM 678 CB TYR A 45 -9.546 -8.853 -1.601 1.00 0.00 C ATOM 679 CG TYR A 45 -8.080 -9.101 -1.881 1.00 0.00 C ATOM 680 CD1 TYR A 45 -7.372 -8.285 -2.755 1.00 0.00 C ATOM 681 CD2 TYR A 45 -7.405 -10.151 -1.273 1.00 0.00 C ATOM 682 CE1 TYR A 45 -6.034 -8.508 -3.014 1.00 0.00 C ATOM 683 CE2 TYR A 45 -6.066 -10.381 -1.525 1.00 0.00 C ATOM 684 CZ TYR A 45 -5.385 -9.556 -2.396 1.00 0.00 C ATOM 685 OH TYR A 45 -4.052 -9.783 -2.651 1.00 0.00 O ATOM 0 H TYR A 45 -10.705 -8.011 0.863 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.028 -6.799 -1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.918 -9.635 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.104 -8.932 -2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.877 -7.462 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.936 -10.799 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.499 -7.865 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.556 -11.202 -1.043 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.849 -9.535 -3.577 1.00 0.00 H new ATOM 695 N PHE A 46 -11.153 -5.645 -1.812 1.00 0.00 N ATOM 696 CA PHE A 46 -12.351 -4.990 -2.325 1.00 0.00 C ATOM 697 C PHE A 46 -13.131 -5.926 -3.244 1.00 0.00 C ATOM 698 O PHE A 46 -14.326 -6.149 -3.052 1.00 0.00 O ATOM 699 CB PHE A 46 -11.977 -3.712 -3.078 1.00 0.00 C ATOM 700 CG PHE A 46 -13.117 -2.745 -3.220 1.00 0.00 C ATOM 701 CD1 PHE A 46 -14.125 -2.973 -4.143 1.00 0.00 C ATOM 702 CD2 PHE A 46 -13.182 -1.608 -2.431 1.00 0.00 C ATOM 703 CE1 PHE A 46 -15.175 -2.084 -4.277 1.00 0.00 C ATOM 704 CE2 PHE A 46 -14.229 -0.716 -2.559 1.00 0.00 C ATOM 705 CZ PHE A 46 -15.228 -0.954 -3.483 1.00 0.00 C ATOM 0 H PHE A 46 -10.342 -5.033 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.985 -4.731 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.156 -3.220 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.611 -3.978 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.090 -3.855 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.404 -1.417 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.953 -2.272 -5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -14.267 0.166 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.048 -0.259 -3.585 1.00 0.00 H new ATOM 715 N ARG A 47 -12.445 -6.470 -4.245 1.00 0.00 N ATOM 716 CA ARG A 47 -13.072 -7.379 -5.196 1.00 0.00 C ATOM 717 C ARG A 47 -12.901 -8.830 -4.754 1.00 0.00 C ATOM 718 O ARG A 47 -11.807 -9.251 -4.379 1.00 0.00 O ATOM 719 CB ARG A 47 -12.474 -7.185 -6.590 1.00 0.00 C ATOM 720 CG ARG A 47 -13.015 -5.967 -7.320 1.00 0.00 C ATOM 721 CD ARG A 47 -12.321 -4.692 -6.866 1.00 0.00 C ATOM 722 NE ARG A 47 -12.733 -3.534 -7.654 1.00 0.00 N ATOM 723 CZ ARG A 47 -12.066 -2.386 -7.677 1.00 0.00 C ATOM 724 NH1 ARG A 47 -10.960 -2.243 -6.959 1.00 0.00 N ATOM 725 NH2 ARG A 47 -12.503 -1.377 -8.420 1.00 0.00 N ATOM 0 H ARG A 47 -11.455 -6.296 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.137 -7.151 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.391 -7.094 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.672 -8.074 -7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.878 -6.094 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.087 -5.882 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.544 -4.513 -5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.241 -4.819 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.580 -3.611 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.620 -3.016 -6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.450 -1.360 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.353 -1.483 -8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.989 -0.496 -8.436 1.00 0.00 H new ATOM 739 N LYS A 48 -13.990 -9.590 -4.801 1.00 0.00 N ATOM 740 CA LYS A 48 -13.962 -10.993 -4.407 1.00 0.00 C ATOM 741 C LYS A 48 -12.957 -11.774 -5.248 1.00 0.00 C ATOM 742 O LYS A 48 -12.097 -12.473 -4.713 1.00 0.00 O ATOM 743 CB LYS A 48 -15.354 -11.613 -4.551 1.00 0.00 C ATOM 744 CG LYS A 48 -15.376 -13.116 -4.337 1.00 0.00 C ATOM 745 CD LYS A 48 -16.763 -13.605 -3.954 1.00 0.00 C ATOM 746 CE LYS A 48 -16.716 -15.005 -3.361 1.00 0.00 C ATOM 747 NZ LYS A 48 -16.324 -14.986 -1.925 1.00 0.00 N ATOM 0 H LYS A 48 -14.904 -9.257 -5.108 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.654 -11.045 -3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.028 -11.143 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.740 -11.390 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.051 -13.619 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.666 -13.383 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.206 -12.918 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.407 -13.603 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.693 -15.476 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.008 -15.614 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.304 -15.959 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.380 -14.560 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.014 -14.426 -1.384 1.00 0.00 H new ATOM 761 N GLU A 49 -13.073 -11.650 -6.567 1.00 0.00 N ATOM 762 CA GLU A 49 -12.173 -12.344 -7.481 1.00 0.00 C ATOM 763 C GLU A 49 -10.731 -12.269 -6.987 1.00 0.00 C ATOM 764 O GLU A 49 -10.044 -13.285 -6.889 1.00 0.00 O ATOM 765 CB GLU A 49 -12.275 -11.745 -8.885 1.00 0.00 C ATOM 766 CG GLU A 49 -13.658 -11.870 -9.502 1.00 0.00 C ATOM 767 CD GLU A 49 -14.622 -10.817 -8.991 1.00 0.00 C ATOM 768 OE1 GLU A 49 -14.161 -9.711 -8.640 1.00 0.00 O ATOM 769 OE2 GLU A 49 -15.837 -11.100 -8.942 1.00 0.00 O ATOM 0 H GLU A 49 -13.781 -11.076 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.471 -13.392 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.000 -10.691 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.551 -12.237 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.577 -11.788 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.060 -12.860 -9.287 1.00 0.00 H new ATOM 776 N ASN A 50 -10.280 -11.058 -6.677 1.00 0.00 N ATOM 777 CA ASN A 50 -8.920 -10.849 -6.195 1.00 0.00 C ATOM 778 C ASN A 50 -8.647 -11.694 -4.954 1.00 0.00 C ATOM 779 O ASN A 50 -7.604 -12.339 -4.846 1.00 0.00 O ATOM 780 CB ASN A 50 -8.691 -9.369 -5.878 1.00 0.00 C ATOM 781 CG ASN A 50 -8.752 -8.497 -7.117 1.00 0.00 C ATOM 782 OD1 ASN A 50 -9.662 -8.626 -7.936 1.00 0.00 O ATOM 783 ND2 ASN A 50 -7.780 -7.603 -7.260 1.00 0.00 N ATOM 0 H ASN A 50 -10.837 -10.207 -6.751 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.231 -11.157 -6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.442 -9.033 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.719 -9.249 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.768 -6.988 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.046 -7.531 -6.556 1.00 0.00 H new ATOM 790 N LEU A 51 -9.592 -11.686 -4.020 1.00 0.00 N ATOM 791 CA LEU A 51 -9.455 -12.453 -2.787 1.00 0.00 C ATOM 792 C LEU A 51 -9.180 -13.923 -3.086 1.00 0.00 C ATOM 793 O LEU A 51 -8.201 -14.493 -2.604 1.00 0.00 O ATOM 794 CB LEU A 51 -10.721 -12.322 -1.938 1.00 0.00 C ATOM 795 CG LEU A 51 -10.858 -13.310 -0.780 1.00 0.00 C ATOM 796 CD1 LEU A 51 -9.910 -12.942 0.351 1.00 0.00 C ATOM 797 CD2 LEU A 51 -12.295 -13.351 -0.281 1.00 0.00 C ATOM 0 H LEU A 51 -10.461 -11.157 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.608 -12.050 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.760 -11.311 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.586 -12.437 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.591 -14.303 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.022 -13.657 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.883 -12.965 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.145 -11.941 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.374 -14.060 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.589 -12.360 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.953 -13.663 -1.092 1.00 0.00 H new ATOM 809 N LEU A 52 -10.048 -14.530 -3.887 1.00 0.00 N ATOM 810 CA LEU A 52 -9.898 -15.934 -4.254 1.00 0.00 C ATOM 811 C LEU A 52 -8.496 -16.210 -4.789 1.00 0.00 C ATOM 812 O LEU A 52 -7.785 -17.073 -4.275 1.00 0.00 O ATOM 813 CB LEU A 52 -10.942 -16.322 -5.303 1.00 0.00 C ATOM 814 CG LEU A 52 -12.387 -16.410 -4.810 1.00 0.00 C ATOM 815 CD1 LEU A 52 -13.348 -16.480 -5.987 1.00 0.00 C ATOM 816 CD2 LEU A 52 -12.568 -17.616 -3.900 1.00 0.00 C ATOM 0 H LEU A 52 -10.863 -14.072 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.051 -16.536 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.900 -15.596 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.663 -17.288 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.611 -15.511 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.372 -16.542 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.237 -15.586 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.125 -17.362 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.602 -17.662 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.326 -18.526 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.906 -17.525 -3.039 1.00 0.00 H new ATOM 828 N GLU A 53 -8.106 -15.470 -5.822 1.00 0.00 N ATOM 829 CA GLU A 53 -6.789 -15.635 -6.425 1.00 0.00 C ATOM 830 C GLU A 53 -5.701 -15.663 -5.355 1.00 0.00 C ATOM 831 O GLU A 53 -5.049 -16.686 -5.144 1.00 0.00 O ATOM 832 CB GLU A 53 -6.513 -14.504 -7.419 1.00 0.00 C ATOM 833 CG GLU A 53 -7.473 -14.482 -8.596 1.00 0.00 C ATOM 834 CD GLU A 53 -7.123 -13.414 -9.614 1.00 0.00 C ATOM 835 OE1 GLU A 53 -6.965 -12.241 -9.215 1.00 0.00 O ATOM 836 OE2 GLU A 53 -7.006 -13.752 -10.811 1.00 0.00 O ATOM 0 H GLU A 53 -8.683 -14.751 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.777 -16.587 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.571 -13.549 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.494 -14.601 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.468 -15.458 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.486 -14.313 -8.231 1.00 0.00 H new ATOM 843 N HIS A 54 -5.510 -14.532 -4.684 1.00 0.00 N ATOM 844 CA HIS A 54 -4.501 -14.426 -3.636 1.00 0.00 C ATOM 845 C HIS A 54 -4.375 -15.739 -2.869 1.00 0.00 C ATOM 846 O HIS A 54 -3.315 -16.364 -2.860 1.00 0.00 O ATOM 847 CB HIS A 54 -4.852 -13.291 -2.673 1.00 0.00 C ATOM 848 CG HIS A 54 -4.333 -13.502 -1.284 1.00 0.00 C ATOM 849 ND1 HIS A 54 -3.180 -12.909 -0.814 1.00 0.00 N ATOM 850 CD2 HIS A 54 -4.817 -14.244 -0.261 1.00 0.00 C ATOM 851 CE1 HIS A 54 -2.977 -13.278 0.438 1.00 0.00 C ATOM 852 NE2 HIS A 54 -3.956 -14.088 0.798 1.00 0.00 N ATOM 0 H HIS A 54 -6.040 -13.676 -4.847 1.00 0.00 H new ATOM 0 HA HIS A 54 -3.543 -14.208 -4.109 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.450 -12.356 -3.064 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -5.936 -13.180 -2.634 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -2.578 -12.283 -1.349 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.713 -14.847 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.151 -12.970 1.061 1.00 0.00 H new ATOM 860 N GLU A 55 -5.463 -16.150 -2.225 1.00 0.00 N ATOM 861 CA GLU A 55 -5.472 -17.387 -1.454 1.00 0.00 C ATOM 862 C GLU A 55 -4.586 -18.443 -2.109 1.00 0.00 C ATOM 863 O GLU A 55 -3.816 -19.127 -1.436 1.00 0.00 O ATOM 864 CB GLU A 55 -6.901 -17.918 -1.316 1.00 0.00 C ATOM 865 CG GLU A 55 -7.649 -17.347 -0.124 1.00 0.00 C ATOM 866 CD GLU A 55 -7.415 -18.141 1.147 1.00 0.00 C ATOM 867 OE1 GLU A 55 -6.253 -18.200 1.603 1.00 0.00 O ATOM 868 OE2 GLU A 55 -8.391 -18.705 1.684 1.00 0.00 O ATOM 0 H GLU A 55 -6.349 -15.644 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.076 -17.170 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.455 -17.688 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.869 -19.004 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.338 -16.314 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.716 -17.328 -0.345 1.00 0.00 H new ATOM 875 N ALA A 56 -4.703 -18.570 -3.427 1.00 0.00 N ATOM 876 CA ALA A 56 -3.913 -19.540 -4.174 1.00 0.00 C ATOM 877 C ALA A 56 -2.545 -18.973 -4.535 1.00 0.00 C ATOM 878 O ALA A 56 -1.520 -19.630 -4.347 1.00 0.00 O ATOM 879 CB ALA A 56 -4.656 -19.971 -5.430 1.00 0.00 C ATOM 0 H ALA A 56 -5.338 -18.013 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.759 -20.412 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.054 -20.696 -5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.607 -20.425 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.840 -19.101 -6.061 1.00 0.00 H new ATOM 885 N ARG A 57 -2.535 -17.750 -5.056 1.00 0.00 N ATOM 886 CA ARG A 57 -1.292 -17.095 -5.445 1.00 0.00 C ATOM 887 C ARG A 57 -0.299 -17.081 -4.286 1.00 0.00 C ATOM 888 O ARG A 57 0.792 -17.640 -4.384 1.00 0.00 O ATOM 889 CB ARG A 57 -1.568 -15.665 -5.912 1.00 0.00 C ATOM 890 CG ARG A 57 -2.467 -15.587 -7.135 1.00 0.00 C ATOM 891 CD ARG A 57 -1.727 -16.000 -8.398 1.00 0.00 C ATOM 892 NE ARG A 57 -1.823 -17.437 -8.642 1.00 0.00 N ATOM 893 CZ ARG A 57 -1.716 -17.986 -9.847 1.00 0.00 C ATOM 894 NH1 ARG A 57 -1.511 -17.222 -10.911 1.00 0.00 N ATOM 895 NH2 ARG A 57 -1.814 -19.302 -9.989 1.00 0.00 N ATOM 0 H ARG A 57 -3.374 -17.193 -5.218 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.855 -17.660 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.029 -15.108 -5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.620 -15.176 -6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.334 -16.232 -6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.842 -14.570 -7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.136 -15.459 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.678 -15.716 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.981 -18.052 -7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.435 -16.210 -10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.429 -17.646 -11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.972 -19.893 -9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.732 -19.723 -10.915 1.00 0.00 H new ATOM 909 N ASN A 58 -0.686 -16.436 -3.190 1.00 0.00 N ATOM 910 CA ASN A 58 0.170 -16.347 -2.013 1.00 0.00 C ATOM 911 C ASN A 58 -0.640 -15.966 -0.778 1.00 0.00 C ATOM 912 O ASN A 58 -1.637 -15.249 -0.873 1.00 0.00 O ATOM 913 CB ASN A 58 1.283 -15.323 -2.243 1.00 0.00 C ATOM 914 CG ASN A 58 2.472 -15.914 -2.975 1.00 0.00 C ATOM 915 OD1 ASN A 58 2.621 -15.737 -4.184 1.00 0.00 O ATOM 916 ND2 ASN A 58 3.325 -16.622 -2.244 1.00 0.00 N ATOM 0 H ASN A 58 -1.587 -15.967 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 58 0.616 -17.327 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.888 -14.484 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.612 -14.926 -1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.143 -17.045 -2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.162 -16.743 -1.244 1.00 0.00 H new ATOM 923 N CYS A 59 -0.206 -16.451 0.380 1.00 0.00 N ATOM 924 CA CYS A 59 -0.890 -16.162 1.635 1.00 0.00 C ATOM 925 C CYS A 59 0.108 -16.038 2.783 1.00 0.00 C ATOM 926 O CYS A 59 1.302 -16.286 2.610 1.00 0.00 O ATOM 927 CB CYS A 59 -1.910 -17.258 1.948 1.00 0.00 C ATOM 928 SG CYS A 59 -3.283 -16.713 3.015 1.00 0.00 S ATOM 0 H CYS A 59 0.617 -17.046 0.476 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.411 -15.211 1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.320 -17.636 1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.397 -18.090 2.431 1.00 0.00 H new ATOM 933 N MET A 60 -0.389 -15.655 3.954 1.00 0.00 N ATOM 934 CA MET A 60 0.459 -15.500 5.130 1.00 0.00 C ATOM 935 C MET A 60 1.583 -16.530 5.129 1.00 0.00 C ATOM 936 O MET A 60 1.343 -17.725 4.958 1.00 0.00 O ATOM 937 CB MET A 60 -0.374 -15.637 6.406 1.00 0.00 C ATOM 938 CG MET A 60 0.310 -15.073 7.641 1.00 0.00 C ATOM 939 SD MET A 60 -0.743 -15.127 9.104 1.00 0.00 S ATOM 940 CE MET A 60 -0.894 -16.895 9.348 1.00 0.00 C ATOM 0 H MET A 60 -1.374 -15.446 4.114 1.00 0.00 H new ATOM 0 HA MET A 60 0.903 -14.505 5.099 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.327 -15.128 6.264 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.597 -16.691 6.573 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.223 -15.636 7.835 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.606 -14.042 7.449 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.283 -17.093 10.347 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.576 -17.308 8.605 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.085 -17.362 9.241 1.00 0.00 H new ATOM 950 N ASN A 61 2.811 -16.060 5.321 1.00 0.00 N ATOM 951 CA ASN A 61 3.973 -16.941 5.341 1.00 0.00 C ATOM 952 C ASN A 61 5.225 -16.181 5.768 1.00 0.00 C ATOM 953 O ASN A 61 5.664 -15.254 5.086 1.00 0.00 O ATOM 954 CB ASN A 61 4.188 -17.567 3.962 1.00 0.00 C ATOM 955 CG ASN A 61 5.593 -18.111 3.786 1.00 0.00 C ATOM 956 OD1 ASN A 61 6.540 -17.223 3.507 1.00 0.00 O flip ATOM 957 ND2 ASN A 61 5.824 -19.315 3.901 1.00 0.00 N flip ATOM 0 H ASN A 61 3.027 -15.074 5.465 1.00 0.00 H new ATOM 0 HA ASN A 61 3.785 -17.732 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.469 -18.373 3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.991 -16.820 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.065 -19.962 4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.774 -19.666 3.781 1.00 0.00 H new ATOM 964 N ARG A 62 5.796 -16.579 6.899 1.00 0.00 N ATOM 965 CA ARG A 62 6.998 -15.936 7.417 1.00 0.00 C ATOM 966 C ARG A 62 7.907 -15.485 6.278 1.00 0.00 C ATOM 967 O ARG A 62 8.599 -16.298 5.664 1.00 0.00 O ATOM 968 CB ARG A 62 7.755 -16.890 8.342 1.00 0.00 C ATOM 969 CG ARG A 62 8.630 -16.182 9.364 1.00 0.00 C ATOM 970 CD ARG A 62 8.839 -17.036 10.605 1.00 0.00 C ATOM 971 NE ARG A 62 9.816 -18.098 10.380 1.00 0.00 N ATOM 972 CZ ARG A 62 10.117 -19.024 11.283 1.00 0.00 C ATOM 973 NH1 ARG A 62 9.518 -19.019 12.467 1.00 0.00 N ATOM 974 NH2 ARG A 62 11.017 -19.958 11.004 1.00 0.00 N ATOM 0 H ARG A 62 5.446 -17.344 7.475 1.00 0.00 H new ATOM 0 HA ARG A 62 6.693 -15.057 7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.037 -17.521 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.378 -17.550 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.595 -15.946 8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.169 -15.235 9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.173 -16.404 11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.888 -17.476 10.907 1.00 0.00 H new ATOM 0 HE ARG A 62 10.294 -18.130 9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.825 -18.303 12.685 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.751 -19.731 13.159 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.479 -19.966 10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.247 -20.668 11.699 1.00 0.00 H new ATOM 988 N SER A 63 7.900 -14.185 6.001 1.00 0.00 N ATOM 989 CA SER A 63 8.721 -13.627 4.933 1.00 0.00 C ATOM 990 C SER A 63 8.850 -12.114 5.081 1.00 0.00 C ATOM 991 O SER A 63 8.021 -11.470 5.724 1.00 0.00 O ATOM 992 CB SER A 63 8.120 -13.967 3.568 1.00 0.00 C ATOM 993 OG SER A 63 9.129 -14.083 2.580 1.00 0.00 O ATOM 0 H SER A 63 7.335 -13.499 6.501 1.00 0.00 H new ATOM 0 HA SER A 63 9.715 -14.068 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.563 -14.902 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.409 -13.193 3.277 1.00 0.00 H new ATOM 0 HG SER A 63 8.719 -14.302 1.718 1.00 0.00 H new ATOM 999 N GLU A 64 9.896 -11.554 4.481 1.00 0.00 N ATOM 1000 CA GLU A 64 10.135 -10.117 4.547 1.00 0.00 C ATOM 1001 C GLU A 64 8.906 -9.340 4.084 1.00 0.00 C ATOM 1002 O GLU A 64 8.192 -9.770 3.179 1.00 0.00 O ATOM 1003 CB GLU A 64 11.344 -9.738 3.690 1.00 0.00 C ATOM 1004 CG GLU A 64 11.625 -8.245 3.659 1.00 0.00 C ATOM 1005 CD GLU A 64 12.497 -7.840 2.486 1.00 0.00 C ATOM 1006 OE1 GLU A 64 13.454 -8.580 2.176 1.00 0.00 O ATOM 1007 OE2 GLU A 64 12.223 -6.784 1.879 1.00 0.00 O ATOM 0 H GLU A 64 10.591 -12.073 3.944 1.00 0.00 H new ATOM 0 HA GLU A 64 10.339 -9.856 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.224 -10.257 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.181 -10.090 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.681 -7.702 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.113 -7.952 4.588 1.00 0.00 H new ATOM 1014 N GLN A 65 8.667 -8.193 4.712 1.00 0.00 N ATOM 1015 CA GLN A 65 7.524 -7.357 4.365 1.00 0.00 C ATOM 1016 C GLN A 65 7.509 -7.048 2.872 1.00 0.00 C ATOM 1017 O GLN A 65 8.327 -6.271 2.379 1.00 0.00 O ATOM 1018 CB GLN A 65 7.557 -6.054 5.167 1.00 0.00 C ATOM 1019 CG GLN A 65 6.198 -5.383 5.293 1.00 0.00 C ATOM 1020 CD GLN A 65 6.054 -4.594 6.580 1.00 0.00 C ATOM 1021 OE1 GLN A 65 6.536 -3.466 6.687 1.00 0.00 O ATOM 1022 NE2 GLN A 65 5.388 -5.185 7.565 1.00 0.00 N ATOM 0 H GLN A 65 9.249 -7.822 5.463 1.00 0.00 H new ATOM 0 HA GLN A 65 6.615 -7.906 4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.945 -6.261 6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.252 -5.362 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.046 -4.717 4.444 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.417 -6.142 5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.005 -6.121 7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.259 -4.703 8.455 1.00 0.00 H new ATOM 1031 N VAL A 66 6.572 -7.662 2.155 1.00 0.00 N ATOM 1032 CA VAL A 66 6.450 -7.453 0.718 1.00 0.00 C ATOM 1033 C VAL A 66 5.116 -6.802 0.369 1.00 0.00 C ATOM 1034 O VAL A 66 4.250 -6.636 1.228 1.00 0.00 O ATOM 1035 CB VAL A 66 6.579 -8.778 -0.056 1.00 0.00 C ATOM 1036 CG1 VAL A 66 7.976 -9.357 0.107 1.00 0.00 C ATOM 1037 CG2 VAL A 66 5.524 -9.771 0.409 1.00 0.00 C ATOM 0 H VAL A 66 5.887 -8.308 2.547 1.00 0.00 H new ATOM 0 HA VAL A 66 7.264 -6.789 0.425 1.00 0.00 H new ATOM 0 HB VAL A 66 6.415 -8.578 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.049 -10.293 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.710 -8.650 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.171 -9.544 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.630 -10.702 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.654 -9.968 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.531 -9.355 0.236 1.00 0.00 H new ATOM 1047 N PHE A 67 4.957 -6.434 -0.898 1.00 0.00 N ATOM 1048 CA PHE A 67 3.728 -5.800 -1.361 1.00 0.00 C ATOM 1049 C PHE A 67 3.075 -6.623 -2.468 1.00 0.00 C ATOM 1050 O PHE A 67 3.755 -7.317 -3.225 1.00 0.00 O ATOM 1051 CB PHE A 67 4.018 -4.385 -1.866 1.00 0.00 C ATOM 1052 CG PHE A 67 4.506 -3.454 -0.793 1.00 0.00 C ATOM 1053 CD1 PHE A 67 5.807 -3.538 -0.324 1.00 0.00 C ATOM 1054 CD2 PHE A 67 3.664 -2.496 -0.253 1.00 0.00 C ATOM 1055 CE1 PHE A 67 6.260 -2.683 0.663 1.00 0.00 C ATOM 1056 CE2 PHE A 67 4.111 -1.638 0.734 1.00 0.00 C ATOM 1057 CZ PHE A 67 5.410 -1.732 1.193 1.00 0.00 C ATOM 0 H PHE A 67 5.663 -6.564 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 67 3.038 -5.744 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.765 -4.437 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.111 -3.973 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.475 -4.281 -0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.647 -2.419 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.277 -2.758 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.445 -0.894 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.761 -1.063 1.965 1.00 0.00 H new ATOM 1067 N THR A 68 1.751 -6.541 -2.556 1.00 0.00 N ATOM 1068 CA THR A 68 1.005 -7.279 -3.568 1.00 0.00 C ATOM 1069 C THR A 68 0.271 -6.331 -4.510 1.00 0.00 C ATOM 1070 O THR A 68 -0.420 -5.413 -4.068 1.00 0.00 O ATOM 1071 CB THR A 68 -0.014 -8.239 -2.927 1.00 0.00 C ATOM 1072 OG1 THR A 68 0.659 -9.167 -2.070 1.00 0.00 O ATOM 1073 CG2 THR A 68 -0.790 -8.996 -3.994 1.00 0.00 C ATOM 0 H THR A 68 1.173 -5.971 -1.938 1.00 0.00 H new ATOM 0 HA THR A 68 1.732 -7.860 -4.135 1.00 0.00 H new ATOM 0 HB THR A 68 -0.717 -7.648 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.004 -9.773 -1.665 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.504 -9.668 -3.517 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.325 -8.287 -4.626 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.098 -9.576 -4.605 1.00 0.00 H new ATOM 1081 N CYS A 69 0.424 -6.560 -5.810 1.00 0.00 N ATOM 1082 CA CYS A 69 -0.224 -5.727 -6.815 1.00 0.00 C ATOM 1083 C CYS A 69 -1.738 -5.723 -6.624 1.00 0.00 C ATOM 1084 O CYS A 69 -2.265 -6.407 -5.747 1.00 0.00 O ATOM 1085 CB CYS A 69 0.122 -6.223 -8.220 1.00 0.00 C ATOM 1086 SG CYS A 69 0.024 -4.938 -9.508 1.00 0.00 S ATOM 0 H CYS A 69 0.992 -7.316 -6.192 1.00 0.00 H new ATOM 0 HA CYS A 69 0.143 -4.707 -6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.131 -6.636 -8.210 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.553 -7.038 -8.483 1.00 0.00 H new ATOM 1091 N SER A 70 -2.432 -4.947 -7.451 1.00 0.00 N ATOM 1092 CA SER A 70 -3.885 -4.851 -7.371 1.00 0.00 C ATOM 1093 C SER A 70 -4.532 -5.318 -8.671 1.00 0.00 C ATOM 1094 O SER A 70 -5.756 -5.304 -8.809 1.00 0.00 O ATOM 1095 CB SER A 70 -4.306 -3.412 -7.067 1.00 0.00 C ATOM 1096 OG SER A 70 -5.714 -3.269 -7.127 1.00 0.00 O ATOM 0 H SER A 70 -2.011 -4.376 -8.184 1.00 0.00 H new ATOM 0 HA SER A 70 -4.224 -5.500 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.950 -3.127 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.838 -2.734 -7.781 1.00 0.00 H new ATOM 0 HG SER A 70 -6.104 -4.051 -7.572 1.00 0.00 H new ATOM 1102 N VAL A 71 -3.702 -5.733 -9.623 1.00 0.00 N ATOM 1103 CA VAL A 71 -4.192 -6.206 -10.912 1.00 0.00 C ATOM 1104 C VAL A 71 -3.744 -7.639 -11.177 1.00 0.00 C ATOM 1105 O VAL A 71 -4.543 -8.486 -11.578 1.00 0.00 O ATOM 1106 CB VAL A 71 -3.705 -5.305 -12.062 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -4.230 -5.813 -13.397 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -4.130 -3.864 -11.827 1.00 0.00 C ATOM 0 H VAL A 71 -2.687 -5.751 -9.525 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.281 -6.171 -10.870 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.616 -5.338 -12.090 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.876 -5.164 -14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.871 -6.828 -13.567 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.320 -5.811 -13.384 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.777 -3.242 -12.650 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.217 -3.810 -11.771 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.701 -3.506 -10.891 1.00 0.00 H new ATOM 1118 N CYS A 72 -2.462 -7.903 -10.952 1.00 0.00 N ATOM 1119 CA CYS A 72 -1.906 -9.234 -11.167 1.00 0.00 C ATOM 1120 C CYS A 72 -1.473 -9.862 -9.845 1.00 0.00 C ATOM 1121 O CYS A 72 -1.032 -11.010 -9.808 1.00 0.00 O ATOM 1122 CB CYS A 72 -0.715 -9.163 -12.125 1.00 0.00 C ATOM 1123 SG CYS A 72 0.680 -8.169 -11.505 1.00 0.00 S ATOM 0 H CYS A 72 -1.788 -7.213 -10.621 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.682 -9.858 -11.609 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.364 -10.175 -12.327 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.051 -8.746 -13.075 1.00 0.00 H new ATOM 1128 N GLN A 73 -1.604 -9.101 -8.764 1.00 0.00 N ATOM 1129 CA GLN A 73 -1.226 -9.583 -7.440 1.00 0.00 C ATOM 1130 C GLN A 73 0.250 -9.965 -7.401 1.00 0.00 C ATOM 1131 O GLN A 73 0.629 -10.953 -6.773 1.00 0.00 O ATOM 1132 CB GLN A 73 -2.086 -10.785 -7.048 1.00 0.00 C ATOM 1133 CG GLN A 73 -3.576 -10.558 -7.247 1.00 0.00 C ATOM 1134 CD GLN A 73 -4.027 -9.192 -6.768 1.00 0.00 C ATOM 1135 OE1 GLN A 73 -4.054 -8.920 -5.568 1.00 0.00 O ATOM 1136 NE2 GLN A 73 -4.384 -8.324 -7.707 1.00 0.00 N ATOM 0 H GLN A 73 -1.969 -8.149 -8.778 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.393 -8.777 -6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.777 -11.649 -7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.901 -11.028 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.818 -10.666 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.132 -11.328 -6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.346 -8.592 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.696 -7.389 -7.445 1.00 0.00 H new ATOM 1145 N GLU A 74 1.079 -9.176 -8.078 1.00 0.00 N ATOM 1146 CA GLU A 74 2.514 -9.433 -8.120 1.00 0.00 C ATOM 1147 C GLU A 74 3.125 -9.342 -6.725 1.00 0.00 C ATOM 1148 O GLU A 74 2.412 -9.199 -5.730 1.00 0.00 O ATOM 1149 CB GLU A 74 3.205 -8.440 -9.057 1.00 0.00 C ATOM 1150 CG GLU A 74 4.327 -9.055 -9.876 1.00 0.00 C ATOM 1151 CD GLU A 74 4.008 -10.465 -10.336 1.00 0.00 C ATOM 1152 OE1 GLU A 74 2.848 -10.712 -10.729 1.00 0.00 O ATOM 1153 OE2 GLU A 74 4.917 -11.321 -10.302 1.00 0.00 O ATOM 0 H GLU A 74 0.782 -8.354 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 74 2.665 -10.444 -8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.463 -8.016 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.607 -7.616 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.522 -8.428 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.241 -9.069 -9.282 1.00 0.00 H new ATOM 1160 N THR A 75 4.450 -9.427 -6.659 1.00 0.00 N ATOM 1161 CA THR A 75 5.157 -9.357 -5.387 1.00 0.00 C ATOM 1162 C THR A 75 6.316 -8.368 -5.456 1.00 0.00 C ATOM 1163 O THR A 75 7.153 -8.440 -6.355 1.00 0.00 O ATOM 1164 CB THR A 75 5.699 -10.736 -4.968 1.00 0.00 C ATOM 1165 OG1 THR A 75 6.322 -11.378 -6.086 1.00 0.00 O ATOM 1166 CG2 THR A 75 4.581 -11.616 -4.430 1.00 0.00 C ATOM 0 H THR A 75 5.055 -9.544 -7.472 1.00 0.00 H new ATOM 0 HA THR A 75 4.436 -9.017 -4.643 1.00 0.00 H new ATOM 0 HB THR A 75 6.435 -10.588 -4.178 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.728 -10.701 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.988 -12.585 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.128 -11.138 -3.561 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.825 -11.756 -5.202 1.00 0.00 H new ATOM 1174 N PHE A 76 6.358 -7.446 -4.500 1.00 0.00 N ATOM 1175 CA PHE A 76 7.415 -6.442 -4.453 1.00 0.00 C ATOM 1176 C PHE A 76 7.912 -6.242 -3.025 1.00 0.00 C ATOM 1177 O PHE A 76 7.162 -5.807 -2.150 1.00 0.00 O ATOM 1178 CB PHE A 76 6.911 -5.113 -5.021 1.00 0.00 C ATOM 1179 CG PHE A 76 6.125 -5.264 -6.292 1.00 0.00 C ATOM 1180 CD1 PHE A 76 4.753 -5.452 -6.255 1.00 0.00 C ATOM 1181 CD2 PHE A 76 6.759 -5.218 -7.523 1.00 0.00 C ATOM 1182 CE1 PHE A 76 4.026 -5.590 -7.423 1.00 0.00 C ATOM 1183 CE2 PHE A 76 6.037 -5.355 -8.694 1.00 0.00 C ATOM 1184 CZ PHE A 76 4.670 -5.543 -8.644 1.00 0.00 C ATOM 0 H PHE A 76 5.673 -7.373 -3.748 1.00 0.00 H new ATOM 0 HA PHE A 76 8.247 -6.797 -5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.288 -4.621 -4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.763 -4.459 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.245 -5.491 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.828 -5.074 -7.568 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.957 -5.734 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.542 -5.315 -9.648 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.105 -5.653 -9.558 1.00 0.00 H new ATOM 1194 N ARG A 77 9.181 -6.563 -2.796 1.00 0.00 N ATOM 1195 CA ARG A 77 9.779 -6.421 -1.473 1.00 0.00 C ATOM 1196 C ARG A 77 9.810 -4.956 -1.045 1.00 0.00 C ATOM 1197 O ARG A 77 10.051 -4.645 0.121 1.00 0.00 O ATOM 1198 CB ARG A 77 11.196 -6.995 -1.467 1.00 0.00 C ATOM 1199 CG ARG A 77 12.248 -6.028 -1.984 1.00 0.00 C ATOM 1200 CD ARG A 77 13.037 -5.401 -0.844 1.00 0.00 C ATOM 1201 NE ARG A 77 13.978 -6.344 -0.246 1.00 0.00 N ATOM 1202 CZ ARG A 77 15.064 -5.974 0.423 1.00 0.00 C ATOM 1203 NH1 ARG A 77 15.344 -4.688 0.579 1.00 0.00 N ATOM 1204 NH2 ARG A 77 15.872 -6.892 0.939 1.00 0.00 N ATOM 0 H ARG A 77 9.815 -6.923 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 77 9.166 -6.976 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 77 11.455 -7.290 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.215 -7.899 -2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.929 -6.553 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 77 11.767 -5.244 -2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.581 -4.532 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 77 12.347 -5.043 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 77 13.791 -7.342 -0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.725 -3.980 0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.179 -4.407 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 77 15.659 -7.883 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.706 -6.607 1.453 1.00 0.00 H new ATOM 1218 N ARG A 78 9.564 -4.062 -1.997 1.00 0.00 N ATOM 1219 CA ARG A 78 9.566 -2.631 -1.719 1.00 0.00 C ATOM 1220 C ARG A 78 8.236 -1.998 -2.118 1.00 0.00 C ATOM 1221 O ARG A 78 7.478 -2.566 -2.904 1.00 0.00 O ATOM 1222 CB ARG A 78 10.713 -1.946 -2.466 1.00 0.00 C ATOM 1223 CG ARG A 78 12.078 -2.194 -1.845 1.00 0.00 C ATOM 1224 CD ARG A 78 13.199 -1.736 -2.764 1.00 0.00 C ATOM 1225 NE ARG A 78 13.477 -0.310 -2.619 1.00 0.00 N ATOM 1226 CZ ARG A 78 14.296 0.190 -1.700 1.00 0.00 C ATOM 1227 NH1 ARG A 78 14.914 -0.617 -0.849 1.00 0.00 N ATOM 1228 NH2 ARG A 78 14.498 1.499 -1.631 1.00 0.00 N ATOM 0 H ARG A 78 9.361 -4.303 -2.967 1.00 0.00 H new ATOM 0 HA ARG A 78 9.707 -2.495 -0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.724 -2.296 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.526 -0.873 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.147 -1.667 -0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.194 -3.256 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.102 -2.306 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.930 -1.950 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 78 13.017 0.338 -3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.761 -1.624 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.542 -0.231 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.024 2.123 -2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.127 1.881 -0.925 1.00 0.00 H new ATOM 1242 N ARG A 79 7.959 -0.820 -1.569 1.00 0.00 N ATOM 1243 CA ARG A 79 6.720 -0.111 -1.866 1.00 0.00 C ATOM 1244 C ARG A 79 6.828 0.642 -3.189 1.00 0.00 C ATOM 1245 O ARG A 79 5.970 0.510 -4.061 1.00 0.00 O ATOM 1246 CB ARG A 79 6.384 0.866 -0.737 1.00 0.00 C ATOM 1247 CG ARG A 79 5.251 1.821 -1.076 1.00 0.00 C ATOM 1248 CD ARG A 79 3.902 1.256 -0.660 1.00 0.00 C ATOM 1249 NE ARG A 79 2.856 2.275 -0.666 1.00 0.00 N ATOM 1250 CZ ARG A 79 1.661 2.106 -0.112 1.00 0.00 C ATOM 1251 NH1 ARG A 79 1.363 0.963 0.491 1.00 0.00 N ATOM 1252 NH2 ARG A 79 0.762 3.080 -0.159 1.00 0.00 N ATOM 0 H ARG A 79 8.576 -0.336 -0.916 1.00 0.00 H new ATOM 0 HA ARG A 79 5.921 -0.847 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.116 0.299 0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.275 1.445 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.417 2.775 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.249 2.019 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.624 0.447 -1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.982 0.825 0.338 1.00 0.00 H new ATOM 0 HE ARG A 79 3.054 3.166 -1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.052 0.212 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.445 0.835 0.916 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.988 3.961 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.155 2.948 0.267 1.00 0.00 H new ATOM 1266 N MET A 80 7.888 1.432 -3.329 1.00 0.00 N ATOM 1267 CA MET A 80 8.108 2.206 -4.546 1.00 0.00 C ATOM 1268 C MET A 80 8.016 1.315 -5.781 1.00 0.00 C ATOM 1269 O MET A 80 7.349 1.658 -6.756 1.00 0.00 O ATOM 1270 CB MET A 80 9.474 2.893 -4.499 1.00 0.00 C ATOM 1271 CG MET A 80 9.838 3.609 -5.789 1.00 0.00 C ATOM 1272 SD MET A 80 9.241 5.310 -5.832 1.00 0.00 S ATOM 1273 CE MET A 80 7.629 5.084 -6.577 1.00 0.00 C ATOM 0 H MET A 80 8.607 1.553 -2.616 1.00 0.00 H new ATOM 0 HA MET A 80 7.329 2.966 -4.609 1.00 0.00 H new ATOM 0 HB2 MET A 80 9.482 3.611 -3.679 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.239 2.148 -4.278 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.921 3.605 -5.909 1.00 0.00 H new ATOM 0 HG3 MET A 80 9.422 3.061 -6.634 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.438 5.891 -7.284 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.601 4.129 -7.101 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.864 5.094 -5.800 1.00 0.00 H new ATOM 1283 N GLU A 81 8.689 0.170 -5.731 1.00 0.00 N ATOM 1284 CA GLU A 81 8.683 -0.769 -6.846 1.00 0.00 C ATOM 1285 C GLU A 81 7.271 -0.953 -7.395 1.00 0.00 C ATOM 1286 O GLU A 81 7.026 -0.759 -8.586 1.00 0.00 O ATOM 1287 CB GLU A 81 9.252 -2.120 -6.408 1.00 0.00 C ATOM 1288 CG GLU A 81 10.736 -2.080 -6.083 1.00 0.00 C ATOM 1289 CD GLU A 81 11.572 -1.563 -7.238 1.00 0.00 C ATOM 1290 OE1 GLU A 81 11.650 -2.258 -8.273 1.00 0.00 O ATOM 1291 OE2 GLU A 81 12.149 -0.463 -7.106 1.00 0.00 O ATOM 0 H GLU A 81 9.245 -0.130 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 81 9.311 -0.358 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.706 -2.467 -5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.082 -2.850 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.896 -1.446 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.073 -3.082 -5.815 1.00 0.00 H new ATOM 1298 N LEU A 82 6.347 -1.329 -6.518 1.00 0.00 N ATOM 1299 CA LEU A 82 4.959 -1.540 -6.913 1.00 0.00 C ATOM 1300 C LEU A 82 4.428 -0.345 -7.699 1.00 0.00 C ATOM 1301 O LEU A 82 3.767 -0.508 -8.725 1.00 0.00 O ATOM 1302 CB LEU A 82 4.087 -1.781 -5.679 1.00 0.00 C ATOM 1303 CG LEU A 82 2.578 -1.818 -5.920 1.00 0.00 C ATOM 1304 CD1 LEU A 82 2.218 -2.936 -6.887 1.00 0.00 C ATOM 1305 CD2 LEU A 82 1.832 -1.988 -4.605 1.00 0.00 C ATOM 0 H LEU A 82 6.534 -1.494 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 82 4.920 -2.420 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.386 -2.727 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.299 -0.998 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 82 2.278 -0.870 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.140 -2.946 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.724 -2.771 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.532 -3.893 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.759 -2.012 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.137 -2.921 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.064 -1.153 -3.944 1.00 0.00 H new ATOM 1317 N ARG A 83 4.725 0.855 -7.212 1.00 0.00 N ATOM 1318 CA ARG A 83 4.278 2.078 -7.869 1.00 0.00 C ATOM 1319 C ARG A 83 4.799 2.146 -9.302 1.00 0.00 C ATOM 1320 O ARG A 83 4.068 2.515 -10.222 1.00 0.00 O ATOM 1321 CB ARG A 83 4.749 3.304 -7.085 1.00 0.00 C ATOM 1322 CG ARG A 83 4.387 3.260 -5.610 1.00 0.00 C ATOM 1323 CD ARG A 83 2.885 3.368 -5.402 1.00 0.00 C ATOM 1324 NE ARG A 83 2.448 4.755 -5.274 1.00 0.00 N ATOM 1325 CZ ARG A 83 1.334 5.121 -4.648 1.00 0.00 C ATOM 1326 NH1 ARG A 83 0.550 4.206 -4.095 1.00 0.00 N ATOM 1327 NH2 ARG A 83 1.004 6.404 -4.573 1.00 0.00 N ATOM 0 H ARG A 83 5.273 1.007 -6.365 1.00 0.00 H new ATOM 0 HA ARG A 83 3.188 2.069 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.831 3.393 -7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.314 4.199 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.750 2.330 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.887 4.075 -5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.369 2.901 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.603 2.815 -4.506 1.00 0.00 H new ATOM 0 HE ARG A 83 3.030 5.484 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.801 3.219 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.304 4.489 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.605 7.111 -4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.149 6.683 -4.092 1.00 0.00 H new ATOM 1341 N LEU A 84 6.065 1.787 -9.483 1.00 0.00 N ATOM 1342 CA LEU A 84 6.684 1.808 -10.804 1.00 0.00 C ATOM 1343 C LEU A 84 6.193 0.640 -11.654 1.00 0.00 C ATOM 1344 O LEU A 84 6.396 0.614 -12.868 1.00 0.00 O ATOM 1345 CB LEU A 84 8.207 1.756 -10.676 1.00 0.00 C ATOM 1346 CG LEU A 84 8.812 2.556 -9.522 1.00 0.00 C ATOM 1347 CD1 LEU A 84 10.329 2.449 -9.535 1.00 0.00 C ATOM 1348 CD2 LEU A 84 8.377 4.012 -9.597 1.00 0.00 C ATOM 0 H LEU A 84 6.683 1.478 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 84 6.399 2.737 -11.297 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.507 0.714 -10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.642 2.116 -11.608 1.00 0.00 H new ATOM 0 HG LEU A 84 8.447 2.137 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.741 3.025 -8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.621 1.404 -9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.713 2.841 -10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.817 4.566 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.712 4.444 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.290 4.071 -9.537 1.00 0.00 H new ATOM 1360 N HIS A 85 5.545 -0.324 -11.008 1.00 0.00 N ATOM 1361 CA HIS A 85 5.022 -1.494 -11.705 1.00 0.00 C ATOM 1362 C HIS A 85 3.588 -1.255 -12.166 1.00 0.00 C ATOM 1363 O HIS A 85 3.215 -1.621 -13.281 1.00 0.00 O ATOM 1364 CB HIS A 85 5.080 -2.723 -10.797 1.00 0.00 C ATOM 1365 CG HIS A 85 4.243 -3.866 -11.282 1.00 0.00 C ATOM 1366 ND1 HIS A 85 4.743 -4.885 -12.066 1.00 0.00 N ATOM 1367 CD2 HIS A 85 2.934 -4.148 -11.090 1.00 0.00 C ATOM 1368 CE1 HIS A 85 3.776 -5.744 -12.335 1.00 0.00 C ATOM 1369 NE2 HIS A 85 2.668 -5.320 -11.754 1.00 0.00 N ATOM 0 H HIS A 85 5.369 -0.318 -10.003 1.00 0.00 H new ATOM 0 HA HIS A 85 5.643 -1.671 -12.583 1.00 0.00 H new ATOM 0 HB2 HIS A 85 6.115 -3.052 -10.711 1.00 0.00 H new ATOM 0 HB3 HIS A 85 4.751 -2.441 -9.797 1.00 0.00 H new ATOM 0 HD1 HIS A 85 5.708 -4.963 -12.388 1.00 0.00 H new ATOM 0 HD2 HIS A 85 2.229 -3.561 -10.520 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.875 -6.641 -12.929 1.00 0.00 H new ATOM 1377 N MET A 86 2.787 -0.640 -11.302 1.00 0.00 N ATOM 1378 CA MET A 86 1.394 -0.353 -11.621 1.00 0.00 C ATOM 1379 C MET A 86 1.280 0.352 -12.970 1.00 0.00 C ATOM 1380 O MET A 86 0.333 0.123 -13.723 1.00 0.00 O ATOM 1381 CB MET A 86 0.765 0.511 -10.527 1.00 0.00 C ATOM 1382 CG MET A 86 0.713 -0.170 -9.169 1.00 0.00 C ATOM 1383 SD MET A 86 -0.881 -0.949 -8.844 1.00 0.00 S ATOM 1384 CE MET A 86 -1.058 -1.978 -10.299 1.00 0.00 C ATOM 0 H MET A 86 3.079 -0.331 -10.375 1.00 0.00 H new ATOM 0 HA MET A 86 0.858 -1.300 -11.679 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.331 1.438 -10.438 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.247 0.783 -10.827 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.499 -0.923 -9.114 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.920 0.564 -8.390 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.782 -2.768 -10.100 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.405 -1.370 -11.135 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.095 -2.423 -10.549 1.00 0.00 H new ATOM 1394 N VAL A 87 2.250 1.209 -13.269 1.00 0.00 N ATOM 1395 CA VAL A 87 2.259 1.946 -14.527 1.00 0.00 C ATOM 1396 C VAL A 87 2.064 1.010 -15.714 1.00 0.00 C ATOM 1397 O VAL A 87 1.408 1.362 -16.694 1.00 0.00 O ATOM 1398 CB VAL A 87 3.575 2.725 -14.712 1.00 0.00 C ATOM 1399 CG1 VAL A 87 3.954 3.447 -13.428 1.00 0.00 C ATOM 1400 CG2 VAL A 87 4.689 1.790 -15.157 1.00 0.00 C ATOM 0 H VAL A 87 3.041 1.410 -12.657 1.00 0.00 H new ATOM 0 HA VAL A 87 1.430 2.653 -14.485 1.00 0.00 H new ATOM 0 HB VAL A 87 3.427 3.474 -15.491 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.886 3.992 -13.578 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.164 4.148 -13.158 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.084 2.720 -12.626 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.611 2.357 -15.283 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.838 1.017 -14.403 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.417 1.325 -16.104 1.00 0.00 H new ATOM 1410 N SER A 88 2.638 -0.186 -15.618 1.00 0.00 N ATOM 1411 CA SER A 88 2.530 -1.173 -16.685 1.00 0.00 C ATOM 1412 C SER A 88 1.072 -1.544 -16.937 1.00 0.00 C ATOM 1413 O SER A 88 0.689 -1.877 -18.059 1.00 0.00 O ATOM 1414 CB SER A 88 3.333 -2.426 -16.332 1.00 0.00 C ATOM 1415 OG SER A 88 4.723 -2.206 -16.502 1.00 0.00 O ATOM 0 H SER A 88 3.182 -0.494 -14.812 1.00 0.00 H new ATOM 0 HA SER A 88 2.937 -0.733 -17.595 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.131 -2.713 -15.300 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.013 -3.256 -16.962 1.00 0.00 H new ATOM 0 HG SER A 88 5.214 -3.021 -16.268 1.00 0.00 H new ATOM 1421 N HIS A 89 0.262 -1.484 -15.884 1.00 0.00 N ATOM 1422 CA HIS A 89 -1.155 -1.813 -15.990 1.00 0.00 C ATOM 1423 C HIS A 89 -1.937 -0.655 -16.602 1.00 0.00 C ATOM 1424 O HIS A 89 -2.877 -0.863 -17.370 1.00 0.00 O ATOM 1425 CB HIS A 89 -1.724 -2.158 -14.614 1.00 0.00 C ATOM 1426 CG HIS A 89 -1.334 -3.520 -14.128 1.00 0.00 C ATOM 1427 ND1 HIS A 89 -1.665 -4.680 -14.796 1.00 0.00 N ATOM 1428 CD2 HIS A 89 -0.634 -3.903 -13.035 1.00 0.00 C ATOM 1429 CE1 HIS A 89 -1.188 -5.719 -14.133 1.00 0.00 C ATOM 1430 NE2 HIS A 89 -0.557 -5.274 -13.061 1.00 0.00 N ATOM 0 H HIS A 89 0.563 -1.211 -14.948 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.254 -2.680 -16.643 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -1.386 -1.414 -13.893 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -2.811 -2.093 -14.653 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -2.195 -4.729 -15.666 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.214 -3.252 -12.283 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.296 -6.755 -14.419 1.00 0.00 H new ATOM 1438 N THR A 90 -1.544 0.567 -16.255 1.00 0.00 N ATOM 1439 CA THR A 90 -2.209 1.758 -16.768 1.00 0.00 C ATOM 1440 C THR A 90 -1.343 2.470 -17.801 1.00 0.00 C ATOM 1441 O THR A 90 -1.433 3.685 -17.970 1.00 0.00 O ATOM 1442 CB THR A 90 -2.550 2.743 -15.634 1.00 0.00 C ATOM 1443 OG1 THR A 90 -3.392 3.790 -16.131 1.00 0.00 O ATOM 1444 CG2 THR A 90 -1.285 3.343 -15.040 1.00 0.00 C ATOM 0 H THR A 90 -0.768 0.757 -15.621 1.00 0.00 H new ATOM 0 HA THR A 90 -3.133 1.425 -17.241 1.00 0.00 H new ATOM 0 HB THR A 90 -3.075 2.195 -14.852 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.968 4.209 -16.909 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.551 4.035 -14.241 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.659 2.547 -14.637 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.737 3.878 -15.816 1.00 0.00 H new ATOM 1452 N GLY A 91 -0.504 1.704 -18.492 1.00 0.00 N ATOM 1453 CA GLY A 91 0.366 2.280 -19.501 1.00 0.00 C ATOM 1454 C GLY A 91 1.542 3.022 -18.897 1.00 0.00 C ATOM 1455 O GLY A 91 2.687 2.587 -19.018 1.00 0.00 O ATOM 0 H GLY A 91 -0.411 0.695 -18.371 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.736 1.488 -20.153 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.209 2.964 -20.125 1.00 0.00 H new ATOM 1459 N GLU A 92 1.259 4.147 -18.247 1.00 0.00 N ATOM 1460 CA GLU A 92 2.303 4.952 -17.625 1.00 0.00 C ATOM 1461 C GLU A 92 1.759 5.712 -16.419 1.00 0.00 C ATOM 1462 O GLU A 92 0.550 5.758 -16.195 1.00 0.00 O ATOM 1463 CB GLU A 92 2.891 5.936 -18.639 1.00 0.00 C ATOM 1464 CG GLU A 92 1.924 7.032 -19.055 1.00 0.00 C ATOM 1465 CD GLU A 92 2.178 7.529 -20.465 1.00 0.00 C ATOM 1466 OE1 GLU A 92 3.280 8.061 -20.716 1.00 0.00 O ATOM 1467 OE2 GLU A 92 1.276 7.387 -21.316 1.00 0.00 O ATOM 0 H GLU A 92 0.316 4.521 -18.138 1.00 0.00 H new ATOM 0 HA GLU A 92 3.090 4.279 -17.284 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.784 6.393 -18.213 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.207 5.386 -19.525 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.903 6.657 -18.984 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.006 7.867 -18.359 1.00 0.00 H new ATOM 1474 N MET A 93 2.661 6.307 -15.645 1.00 0.00 N ATOM 1475 CA MET A 93 2.271 7.066 -14.462 1.00 0.00 C ATOM 1476 C MET A 93 1.174 8.071 -14.798 1.00 0.00 C ATOM 1477 O MET A 93 1.040 8.523 -15.936 1.00 0.00 O ATOM 1478 CB MET A 93 3.482 7.793 -13.875 1.00 0.00 C ATOM 1479 CG MET A 93 4.562 6.855 -13.359 1.00 0.00 C ATOM 1480 SD MET A 93 5.495 7.559 -11.986 1.00 0.00 S ATOM 1481 CE MET A 93 5.528 6.172 -10.853 1.00 0.00 C ATOM 0 H MET A 93 3.666 6.278 -15.815 1.00 0.00 H new ATOM 0 HA MET A 93 1.883 6.365 -13.723 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.911 8.443 -14.638 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.150 8.435 -13.059 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.103 5.919 -13.039 1.00 0.00 H new ATOM 0 HG3 MET A 93 5.246 6.613 -14.172 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.261 6.513 -9.853 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.814 5.417 -11.181 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.529 5.741 -10.834 1.00 0.00 H new ATOM 1491 N PRO A 94 0.369 8.430 -13.787 1.00 0.00 N ATOM 1492 CA PRO A 94 -0.730 9.386 -13.951 1.00 0.00 C ATOM 1493 C PRO A 94 -0.232 10.807 -14.189 1.00 0.00 C ATOM 1494 O PRO A 94 -0.875 11.593 -14.885 1.00 0.00 O ATOM 1495 CB PRO A 94 -1.479 9.297 -12.619 1.00 0.00 C ATOM 1496 CG PRO A 94 -0.456 8.834 -11.640 1.00 0.00 C ATOM 1497 CD PRO A 94 0.471 7.931 -12.405 1.00 0.00 C ATOM 0 HA PRO A 94 -1.347 9.153 -14.819 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.893 10.264 -12.332 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.314 8.598 -12.680 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.086 9.678 -11.213 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -0.922 8.302 -10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.493 7.993 -12.030 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.167 6.887 -12.331 1.00 0.00 H new ATOM 1505 N TYR A 95 0.917 11.131 -13.607 1.00 0.00 N ATOM 1506 CA TYR A 95 1.501 12.459 -13.754 1.00 0.00 C ATOM 1507 C TYR A 95 2.862 12.384 -14.438 1.00 0.00 C ATOM 1508 O TYR A 95 3.592 11.404 -14.289 1.00 0.00 O ATOM 1509 CB TYR A 95 1.641 13.132 -12.387 1.00 0.00 C ATOM 1510 CG TYR A 95 0.334 13.257 -11.637 1.00 0.00 C ATOM 1511 CD1 TYR A 95 -0.519 14.330 -11.864 1.00 0.00 C ATOM 1512 CD2 TYR A 95 -0.046 12.304 -10.700 1.00 0.00 C ATOM 1513 CE1 TYR A 95 -1.714 14.449 -11.181 1.00 0.00 C ATOM 1514 CE2 TYR A 95 -1.239 12.415 -10.013 1.00 0.00 C ATOM 1515 CZ TYR A 95 -2.070 13.489 -10.256 1.00 0.00 C ATOM 1516 OH TYR A 95 -3.259 13.603 -9.573 1.00 0.00 O ATOM 0 H TYR A 95 1.463 10.492 -13.029 1.00 0.00 H new ATOM 0 HA TYR A 95 0.834 13.054 -14.378 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.345 12.562 -11.781 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.069 14.125 -12.522 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -0.243 15.084 -12.587 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.602 11.462 -10.506 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.366 15.289 -11.370 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -1.520 11.665 -9.289 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.359 12.844 -8.961 1.00 0.00 H new ATOM 1526 N LYS A 96 3.198 13.427 -15.190 1.00 0.00 N ATOM 1527 CA LYS A 96 4.472 13.482 -15.897 1.00 0.00 C ATOM 1528 C LYS A 96 4.982 14.917 -15.987 1.00 0.00 C ATOM 1529 O LYS A 96 4.203 15.869 -15.920 1.00 0.00 O ATOM 1530 CB LYS A 96 4.325 12.893 -17.302 1.00 0.00 C ATOM 1531 CG LYS A 96 4.667 11.415 -17.380 1.00 0.00 C ATOM 1532 CD LYS A 96 4.152 10.791 -18.666 1.00 0.00 C ATOM 1533 CE LYS A 96 2.700 10.359 -18.534 1.00 0.00 C ATOM 1534 NZ LYS A 96 1.769 11.521 -18.578 1.00 0.00 N ATOM 0 H LYS A 96 2.605 14.246 -15.325 1.00 0.00 H new ATOM 0 HA LYS A 96 5.196 12.891 -15.336 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.300 13.039 -17.643 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.970 13.443 -17.987 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.748 11.287 -17.320 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.236 10.895 -16.524 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.247 11.507 -19.482 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.767 9.929 -18.925 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.453 9.665 -19.338 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.565 9.821 -17.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.872 11.231 -19.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.588 11.858 -17.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.196 12.287 -19.137 1.00 0.00 H new ATOM 1548 N CYS A 97 6.293 15.065 -16.140 1.00 0.00 N ATOM 1549 CA CYS A 97 6.908 16.383 -16.241 1.00 0.00 C ATOM 1550 C CYS A 97 6.903 16.877 -17.685 1.00 0.00 C ATOM 1551 O CYS A 97 6.360 16.222 -18.574 1.00 0.00 O ATOM 1552 CB CYS A 97 8.342 16.343 -15.709 1.00 0.00 C ATOM 1553 SG CYS A 97 8.883 17.888 -14.911 1.00 0.00 S ATOM 0 H CYS A 97 6.951 14.288 -16.197 1.00 0.00 H new ATOM 0 HA CYS A 97 6.323 17.076 -15.636 1.00 0.00 H new ATOM 0 HB2 CYS A 97 8.429 15.527 -14.992 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.018 16.117 -16.534 1.00 0.00 H new ATOM 1558 N SER A 98 7.512 18.037 -17.910 1.00 0.00 N ATOM 1559 CA SER A 98 7.576 18.621 -19.244 1.00 0.00 C ATOM 1560 C SER A 98 9.021 18.899 -19.648 1.00 0.00 C ATOM 1561 O SER A 98 9.425 18.628 -20.778 1.00 0.00 O ATOM 1562 CB SER A 98 6.762 19.915 -19.297 1.00 0.00 C ATOM 1563 OG SER A 98 5.373 19.648 -19.207 1.00 0.00 O ATOM 0 H SER A 98 7.968 18.591 -17.185 1.00 0.00 H new ATOM 0 HA SER A 98 7.152 17.904 -19.947 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.063 20.571 -18.480 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.974 20.444 -20.226 1.00 0.00 H new ATOM 0 HG SER A 98 4.875 20.491 -19.241 1.00 0.00 H new ATOM 1569 N SER A 99 9.795 19.442 -18.714 1.00 0.00 N ATOM 1570 CA SER A 99 11.195 19.761 -18.971 1.00 0.00 C ATOM 1571 C SER A 99 12.026 18.489 -19.104 1.00 0.00 C ATOM 1572 O SER A 99 12.804 18.337 -20.047 1.00 0.00 O ATOM 1573 CB SER A 99 11.755 20.635 -17.848 1.00 0.00 C ATOM 1574 OG SER A 99 11.578 22.011 -18.136 1.00 0.00 O ATOM 0 H SER A 99 9.477 19.670 -17.772 1.00 0.00 H new ATOM 0 HA SER A 99 11.251 20.310 -19.911 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.258 20.390 -16.910 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.815 20.422 -17.712 1.00 0.00 H new ATOM 0 HG SER A 99 11.943 22.548 -17.402 1.00 0.00 H new ATOM 1580 N CYS A 100 11.856 17.576 -18.153 1.00 0.00 N ATOM 1581 CA CYS A 100 12.590 16.317 -18.162 1.00 0.00 C ATOM 1582 C CYS A 100 11.693 15.167 -18.611 1.00 0.00 C ATOM 1583 O CYS A 100 12.175 14.131 -19.068 1.00 0.00 O ATOM 1584 CB CYS A 100 13.156 16.023 -16.771 1.00 0.00 C ATOM 1585 SG CYS A 100 11.890 15.641 -15.518 1.00 0.00 S ATOM 0 H CYS A 100 11.216 17.685 -17.366 1.00 0.00 H new ATOM 0 HA CYS A 100 13.413 16.410 -18.870 1.00 0.00 H new ATOM 0 HB2 CYS A 100 13.847 15.183 -16.842 1.00 0.00 H new ATOM 0 HB3 CYS A 100 13.735 16.884 -16.437 1.00 0.00 H new ATOM 1590 N SER A 101 10.384 15.359 -18.477 1.00 0.00 N ATOM 1591 CA SER A 101 9.419 14.337 -18.866 1.00 0.00 C ATOM 1592 C SER A 101 9.389 13.202 -17.847 1.00 0.00 C ATOM 1593 O SER A 101 9.124 12.051 -18.192 1.00 0.00 O ATOM 1594 CB SER A 101 9.759 13.785 -20.252 1.00 0.00 C ATOM 1595 OG SER A 101 8.591 13.356 -20.930 1.00 0.00 O ATOM 0 H SER A 101 9.968 16.212 -18.103 1.00 0.00 H new ATOM 0 HA SER A 101 8.432 14.798 -18.899 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.263 14.553 -20.839 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.454 12.951 -20.154 1.00 0.00 H new ATOM 0 HG SER A 101 8.834 13.009 -21.814 1.00 0.00 H new ATOM 1601 N GLN A 102 9.662 13.537 -16.590 1.00 0.00 N ATOM 1602 CA GLN A 102 9.668 12.546 -15.520 1.00 0.00 C ATOM 1603 C GLN A 102 8.278 11.948 -15.325 1.00 0.00 C ATOM 1604 O GLN A 102 7.356 12.238 -16.086 1.00 0.00 O ATOM 1605 CB GLN A 102 10.153 13.177 -14.214 1.00 0.00 C ATOM 1606 CG GLN A 102 11.654 13.064 -14.004 1.00 0.00 C ATOM 1607 CD GLN A 102 12.048 11.788 -13.285 1.00 0.00 C ATOM 1608 OE1 GLN A 102 11.878 10.688 -13.811 1.00 0.00 O ATOM 1609 NE2 GLN A 102 12.578 11.929 -12.076 1.00 0.00 N ATOM 0 H GLN A 102 9.882 14.486 -16.288 1.00 0.00 H new ATOM 0 HA GLN A 102 10.352 11.746 -15.804 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.871 14.230 -14.202 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.641 12.701 -13.378 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.156 13.102 -14.971 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.002 13.923 -13.430 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.701 12.860 -11.678 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.863 11.106 -11.545 1.00 0.00 H new ATOM 1618 N GLN A 103 8.137 11.114 -14.300 1.00 0.00 N ATOM 1619 CA GLN A 103 6.860 10.475 -14.006 1.00 0.00 C ATOM 1620 C GLN A 103 6.591 10.461 -12.505 1.00 0.00 C ATOM 1621 O GLN A 103 7.509 10.300 -11.700 1.00 0.00 O ATOM 1622 CB GLN A 103 6.843 9.046 -14.552 1.00 0.00 C ATOM 1623 CG GLN A 103 7.076 8.965 -16.052 1.00 0.00 C ATOM 1624 CD GLN A 103 6.983 7.548 -16.581 1.00 0.00 C ATOM 1625 OE1 GLN A 103 5.791 6.966 -16.510 1.00 0.00 O flip ATOM 1626 NE2 GLN A 103 7.971 6.981 -17.049 1.00 0.00 N flip ATOM 0 H GLN A 103 8.891 10.865 -13.660 1.00 0.00 H new ATOM 0 HA GLN A 103 6.073 11.052 -14.492 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.609 8.462 -14.042 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.883 8.587 -14.317 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.343 9.589 -16.564 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.060 9.372 -16.286 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.868 7.465 -17.084 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.892 6.027 -17.401 1.00 0.00 H new ATOM 1635 N PHE A 104 5.326 10.633 -12.134 1.00 0.00 N ATOM 1636 CA PHE A 104 4.936 10.642 -10.729 1.00 0.00 C ATOM 1637 C PHE A 104 3.542 10.049 -10.547 1.00 0.00 C ATOM 1638 O PHE A 104 2.779 9.927 -11.505 1.00 0.00 O ATOM 1639 CB PHE A 104 4.972 12.068 -10.176 1.00 0.00 C ATOM 1640 CG PHE A 104 6.243 12.802 -10.495 1.00 0.00 C ATOM 1641 CD1 PHE A 104 6.503 13.238 -11.785 1.00 0.00 C ATOM 1642 CD2 PHE A 104 7.179 13.057 -9.505 1.00 0.00 C ATOM 1643 CE1 PHE A 104 7.672 13.913 -12.081 1.00 0.00 C ATOM 1644 CE2 PHE A 104 8.349 13.733 -9.795 1.00 0.00 C ATOM 1645 CZ PHE A 104 8.596 14.162 -11.084 1.00 0.00 C ATOM 0 H PHE A 104 4.554 10.768 -12.787 1.00 0.00 H new ATOM 0 HA PHE A 104 5.648 10.028 -10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.128 12.627 -10.579 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.844 12.033 -9.094 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.784 13.048 -12.568 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.992 12.723 -8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.863 14.246 -13.091 1.00 0.00 H new ATOM 0 HE2 PHE A 104 9.070 13.926 -9.014 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.509 14.691 -11.313 1.00 0.00 H new ATOM 1655 N MET A 105 3.218 9.682 -9.312 1.00 0.00 N ATOM 1656 CA MET A 105 1.915 9.103 -9.004 1.00 0.00 C ATOM 1657 C MET A 105 0.974 10.156 -8.430 1.00 0.00 C ATOM 1658 O MET A 105 -0.246 10.037 -8.541 1.00 0.00 O ATOM 1659 CB MET A 105 2.068 7.945 -8.016 1.00 0.00 C ATOM 1660 CG MET A 105 2.355 6.610 -8.683 1.00 0.00 C ATOM 1661 SD MET A 105 1.094 6.151 -9.888 1.00 0.00 S ATOM 1662 CE MET A 105 2.053 5.140 -11.013 1.00 0.00 C ATOM 0 H MET A 105 3.839 9.775 -8.508 1.00 0.00 H new ATOM 0 HA MET A 105 1.485 8.725 -9.932 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.876 8.176 -7.321 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.155 7.858 -7.426 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.325 6.656 -9.178 1.00 0.00 H new ATOM 0 HG3 MET A 105 2.423 5.834 -7.920 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.393 4.442 -11.528 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.547 5.779 -11.745 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.803 4.583 -10.452 1.00 0.00 H new ATOM 1672 N GLN A 106 1.548 11.185 -7.815 1.00 0.00 N ATOM 1673 CA GLN A 106 0.759 12.258 -7.222 1.00 0.00 C ATOM 1674 C GLN A 106 1.044 13.589 -7.912 1.00 0.00 C ATOM 1675 O GLN A 106 2.126 13.796 -8.462 1.00 0.00 O ATOM 1676 CB GLN A 106 1.056 12.372 -5.726 1.00 0.00 C ATOM 1677 CG GLN A 106 1.022 11.039 -4.996 1.00 0.00 C ATOM 1678 CD GLN A 106 0.588 11.176 -3.550 1.00 0.00 C ATOM 1679 OE1 GLN A 106 0.912 12.159 -2.883 1.00 0.00 O ATOM 1680 NE2 GLN A 106 -0.150 10.189 -3.057 1.00 0.00 N ATOM 0 H GLN A 106 2.557 11.298 -7.714 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.295 12.017 -7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.038 12.825 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.330 13.045 -5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.341 10.363 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.012 10.584 -5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.395 9.393 -3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.472 10.227 -2.090 1.00 0.00 H new ATOM 1689 N LYS A 107 0.067 14.488 -7.879 1.00 0.00 N ATOM 1690 CA LYS A 107 0.212 15.799 -8.499 1.00 0.00 C ATOM 1691 C LYS A 107 1.232 16.648 -7.746 1.00 0.00 C ATOM 1692 O LYS A 107 2.140 17.223 -8.346 1.00 0.00 O ATOM 1693 CB LYS A 107 -1.138 16.520 -8.538 1.00 0.00 C ATOM 1694 CG LYS A 107 -1.116 17.810 -9.339 1.00 0.00 C ATOM 1695 CD LYS A 107 -2.513 18.378 -9.520 1.00 0.00 C ATOM 1696 CE LYS A 107 -2.528 19.511 -10.535 1.00 0.00 C ATOM 1697 NZ LYS A 107 -2.077 20.798 -9.937 1.00 0.00 N ATOM 0 H LYS A 107 -0.835 14.332 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 107 0.569 15.653 -9.519 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.886 15.851 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.452 16.741 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.487 18.543 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.668 17.625 -10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.189 17.587 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.886 18.741 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.882 19.255 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.536 19.629 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.746 21.434 -10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.870 21.243 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.300 20.617 -9.270 1.00 0.00 H new ATOM 1711 N LYS A 108 1.077 16.721 -6.429 1.00 0.00 N ATOM 1712 CA LYS A 108 1.985 17.496 -5.592 1.00 0.00 C ATOM 1713 C LYS A 108 3.425 17.027 -5.773 1.00 0.00 C ATOM 1714 O LYS A 108 4.353 17.836 -5.797 1.00 0.00 O ATOM 1715 CB LYS A 108 1.581 17.381 -4.121 1.00 0.00 C ATOM 1716 CG LYS A 108 1.842 16.009 -3.524 1.00 0.00 C ATOM 1717 CD LYS A 108 3.225 15.926 -2.901 1.00 0.00 C ATOM 1718 CE LYS A 108 3.307 16.737 -1.617 1.00 0.00 C ATOM 1719 NZ LYS A 108 4.635 16.599 -0.957 1.00 0.00 N ATOM 0 H LYS A 108 0.330 16.252 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 108 1.920 18.540 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.125 18.129 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.521 17.614 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.088 15.791 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.745 15.249 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.469 14.885 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.968 16.290 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.119 17.788 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.525 16.411 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.650 17.167 -0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.804 15.600 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.379 16.934 -1.601 1.00 0.00 H new ATOM 1733 N ASP A 109 3.604 15.717 -5.901 1.00 0.00 N ATOM 1734 CA ASP A 109 4.931 15.140 -6.083 1.00 0.00 C ATOM 1735 C ASP A 109 5.619 15.735 -7.308 1.00 0.00 C ATOM 1736 O ASP A 109 6.833 15.945 -7.311 1.00 0.00 O ATOM 1737 CB ASP A 109 4.835 13.620 -6.223 1.00 0.00 C ATOM 1738 CG ASP A 109 6.070 12.912 -5.702 1.00 0.00 C ATOM 1739 OD1 ASP A 109 6.657 13.394 -4.711 1.00 0.00 O ATOM 1740 OD2 ASP A 109 6.448 11.874 -6.285 1.00 0.00 O ATOM 0 H ASP A 109 2.847 15.034 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 109 5.528 15.378 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.959 13.263 -5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.688 13.363 -7.272 1.00 0.00 H new ATOM 1745 N LEU A 110 4.836 16.003 -8.347 1.00 0.00 N ATOM 1746 CA LEU A 110 5.370 16.572 -9.580 1.00 0.00 C ATOM 1747 C LEU A 110 5.650 18.062 -9.415 1.00 0.00 C ATOM 1748 O LEU A 110 6.757 18.528 -9.682 1.00 0.00 O ATOM 1749 CB LEU A 110 4.390 16.351 -10.733 1.00 0.00 C ATOM 1750 CG LEU A 110 4.608 17.216 -11.975 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.002 16.993 -12.542 1.00 0.00 C ATOM 1752 CD2 LEU A 110 3.549 16.917 -13.026 1.00 0.00 C ATOM 0 H LEU A 110 3.830 15.836 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 110 6.309 16.067 -9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.441 15.304 -11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.380 16.529 -10.364 1.00 0.00 H new ATOM 0 HG LEU A 110 4.518 18.263 -11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.140 17.617 -13.425 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.747 17.258 -11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.120 15.945 -12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.720 17.542 -13.903 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.607 15.867 -13.312 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.561 17.128 -12.617 1.00 0.00 H new ATOM 1764 N GLN A 111 4.641 18.803 -8.970 1.00 0.00 N ATOM 1765 CA GLN A 111 4.780 20.241 -8.768 1.00 0.00 C ATOM 1766 C GLN A 111 6.040 20.558 -7.969 1.00 0.00 C ATOM 1767 O GLN A 111 6.844 21.399 -8.369 1.00 0.00 O ATOM 1768 CB GLN A 111 3.551 20.797 -8.047 1.00 0.00 C ATOM 1769 CG GLN A 111 2.261 20.646 -8.838 1.00 0.00 C ATOM 1770 CD GLN A 111 1.239 21.712 -8.496 1.00 0.00 C ATOM 1771 OE1 GLN A 111 0.099 21.289 -7.960 1.00 0.00 O flip ATOM 1772 NE2 GLN A 111 1.470 22.902 -8.710 1.00 0.00 N flip ATOM 0 H GLN A 111 3.718 18.432 -8.742 1.00 0.00 H new ATOM 0 HA GLN A 111 4.863 20.714 -9.746 1.00 0.00 H new ATOM 0 HB2 GLN A 111 3.441 20.289 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.714 21.853 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 111 2.485 20.692 -9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.833 19.662 -8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.359 23.183 -9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 111 0.772 23.607 -8.474 1.00 0.00 H new ATOM 1781 N SER A 112 6.204 19.880 -6.837 1.00 0.00 N ATOM 1782 CA SER A 112 7.363 20.093 -5.980 1.00 0.00 C ATOM 1783 C SER A 112 8.654 19.748 -6.716 1.00 0.00 C ATOM 1784 O SER A 112 9.660 20.448 -6.593 1.00 0.00 O ATOM 1785 CB SER A 112 7.246 19.250 -4.709 1.00 0.00 C ATOM 1786 OG SER A 112 8.012 19.807 -3.654 1.00 0.00 O ATOM 0 H SER A 112 5.548 19.179 -6.493 1.00 0.00 H new ATOM 0 HA SER A 112 7.392 21.148 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 112 6.201 19.184 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 112 7.584 18.234 -4.911 1.00 0.00 H new ATOM 0 HG SER A 112 7.919 19.250 -2.853 1.00 0.00 H new ATOM 1792 N HIS A 113 8.619 18.662 -7.482 1.00 0.00 N ATOM 1793 CA HIS A 113 9.785 18.222 -8.239 1.00 0.00 C ATOM 1794 C HIS A 113 10.230 19.298 -9.225 1.00 0.00 C ATOM 1795 O HIS A 113 11.423 19.469 -9.475 1.00 0.00 O ATOM 1796 CB HIS A 113 9.474 16.926 -8.988 1.00 0.00 C ATOM 1797 CG HIS A 113 10.236 16.776 -10.269 1.00 0.00 C ATOM 1798 ND1 HIS A 113 11.484 16.194 -10.338 1.00 0.00 N ATOM 1799 CD2 HIS A 113 9.919 17.135 -11.535 1.00 0.00 C ATOM 1800 CE1 HIS A 113 11.903 16.203 -11.591 1.00 0.00 C ATOM 1801 NE2 HIS A 113 10.971 16.768 -12.337 1.00 0.00 N ATOM 0 H HIS A 113 7.796 18.071 -7.595 1.00 0.00 H new ATOM 0 HA HIS A 113 10.597 18.040 -7.535 1.00 0.00 H new ATOM 0 HB2 HIS A 113 9.699 16.079 -8.340 1.00 0.00 H new ATOM 0 HB3 HIS A 113 8.406 16.888 -9.204 1.00 0.00 H new ATOM 0 HD1 HIS A 113 12.003 15.816 -9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 113 9.008 17.620 -11.855 1.00 0.00 H new ATOM 0 HE1 HIS A 113 12.847 15.815 -11.945 1.00 0.00 H new ATOM 1809 N MET A 114 9.264 20.021 -9.781 1.00 0.00 N ATOM 1810 CA MET A 114 9.557 21.081 -10.739 1.00 0.00 C ATOM 1811 C MET A 114 9.874 22.389 -10.022 1.00 0.00 C ATOM 1812 O MET A 114 10.420 23.318 -10.618 1.00 0.00 O ATOM 1813 CB MET A 114 8.375 21.280 -11.690 1.00 0.00 C ATOM 1814 CG MET A 114 7.967 20.014 -12.426 1.00 0.00 C ATOM 1815 SD MET A 114 7.104 20.357 -13.971 1.00 0.00 S ATOM 1816 CE MET A 114 8.410 21.127 -14.925 1.00 0.00 C ATOM 0 H MET A 114 8.271 19.892 -9.585 1.00 0.00 H new ATOM 0 HA MET A 114 10.432 20.783 -11.317 1.00 0.00 H new ATOM 0 HB2 MET A 114 7.522 21.652 -11.123 1.00 0.00 H new ATOM 0 HB3 MET A 114 8.632 22.048 -12.420 1.00 0.00 H new ATOM 0 HG2 MET A 114 8.855 19.418 -12.635 1.00 0.00 H new ATOM 0 HG3 MET A 114 7.325 19.414 -11.781 1.00 0.00 H new ATOM 0 HE1 MET A 114 8.083 22.110 -15.262 1.00 0.00 H new ATOM 0 HE2 MET A 114 9.300 21.234 -14.304 1.00 0.00 H new ATOM 0 HE3 MET A 114 8.643 20.506 -15.790 1.00 0.00 H new ATOM 1826 N ILE A 115 9.528 22.455 -8.740 1.00 0.00 N ATOM 1827 CA ILE A 115 9.777 23.650 -7.943 1.00 0.00 C ATOM 1828 C ILE A 115 11.109 23.552 -7.208 1.00 0.00 C ATOM 1829 O ILE A 115 11.612 24.542 -6.676 1.00 0.00 O ATOM 1830 CB ILE A 115 8.653 23.886 -6.917 1.00 0.00 C ATOM 1831 CG1 ILE A 115 7.320 24.117 -7.632 1.00 0.00 C ATOM 1832 CG2 ILE A 115 8.993 25.068 -6.022 1.00 0.00 C ATOM 1833 CD1 ILE A 115 6.116 23.720 -6.807 1.00 0.00 C ATOM 0 H ILE A 115 9.075 21.695 -8.232 1.00 0.00 H new ATOM 0 HA ILE A 115 9.808 24.491 -8.636 1.00 0.00 H new ATOM 0 HB ILE A 115 8.559 22.998 -6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.237 25.171 -7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 115 7.314 23.552 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.189 25.222 -5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.923 24.866 -5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.111 25.964 -6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.206 23.911 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.176 22.659 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.097 24.303 -5.886 1.00 0.00 H new ATOM 1845 N LYS A 116 11.679 22.352 -7.183 1.00 0.00 N ATOM 1846 CA LYS A 116 12.955 22.123 -6.516 1.00 0.00 C ATOM 1847 C LYS A 116 14.036 21.748 -7.525 1.00 0.00 C ATOM 1848 O LYS A 116 15.068 22.415 -7.621 1.00 0.00 O ATOM 1849 CB LYS A 116 12.815 21.018 -5.467 1.00 0.00 C ATOM 1850 CG LYS A 116 12.250 21.503 -4.144 1.00 0.00 C ATOM 1851 CD LYS A 116 10.795 21.920 -4.279 1.00 0.00 C ATOM 1852 CE LYS A 116 10.295 22.613 -3.020 1.00 0.00 C ATOM 1853 NZ LYS A 116 9.918 21.636 -1.961 1.00 0.00 N ATOM 0 H LYS A 116 11.276 21.522 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 116 13.250 23.049 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.170 20.233 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.793 20.569 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.335 20.712 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.839 22.346 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.685 22.589 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.181 21.042 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.070 23.279 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.433 23.234 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.442 22.135 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.274 20.923 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.774 21.167 -1.601 1.00 0.00 H new ATOM 1867 N LEU A 117 13.794 20.679 -8.275 1.00 0.00 N ATOM 1868 CA LEU A 117 14.747 20.216 -9.278 1.00 0.00 C ATOM 1869 C LEU A 117 14.864 21.220 -10.421 1.00 0.00 C ATOM 1870 O LEU A 117 15.967 21.558 -10.853 1.00 0.00 O ATOM 1871 CB LEU A 117 14.321 18.852 -9.823 1.00 0.00 C ATOM 1872 CG LEU A 117 14.145 17.741 -8.788 1.00 0.00 C ATOM 1873 CD1 LEU A 117 14.345 16.377 -9.430 1.00 0.00 C ATOM 1874 CD2 LEU A 117 15.112 17.934 -7.629 1.00 0.00 C ATOM 0 H LEU A 117 12.946 20.116 -8.208 1.00 0.00 H new ATOM 0 HA LEU A 117 15.723 20.121 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.379 18.975 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.062 18.527 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 117 13.128 17.791 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.216 15.599 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.613 16.238 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 117 15.350 16.315 -9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.973 17.134 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 117 16.136 17.911 -8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.921 18.895 -7.152 1.00 0.00 H new ATOM 1886 N HIS A 118 13.721 21.693 -10.906 1.00 0.00 N ATOM 1887 CA HIS A 118 13.696 22.661 -11.997 1.00 0.00 C ATOM 1888 C HIS A 118 13.716 24.088 -11.459 1.00 0.00 C ATOM 1889 O HIS A 118 14.192 25.007 -12.126 1.00 0.00 O ATOM 1890 CB HIS A 118 12.456 22.449 -12.866 1.00 0.00 C ATOM 1891 CG HIS A 118 12.481 21.169 -13.644 1.00 0.00 C ATOM 1892 ND1 HIS A 118 13.515 20.822 -14.488 1.00 0.00 N ATOM 1893 CD2 HIS A 118 11.592 20.150 -13.701 1.00 0.00 C ATOM 1894 CE1 HIS A 118 13.260 19.645 -15.032 1.00 0.00 C ATOM 1895 NE2 HIS A 118 12.099 19.215 -14.570 1.00 0.00 N ATOM 0 H HIS A 118 12.800 21.422 -10.561 1.00 0.00 H new ATOM 0 HA HIS A 118 14.588 22.509 -12.605 1.00 0.00 H new ATOM 0 HB2 HIS A 118 11.571 22.461 -12.230 1.00 0.00 H new ATOM 0 HB3 HIS A 118 12.362 23.284 -13.560 1.00 0.00 H new ATOM 0 HD1 HIS A 118 14.347 21.386 -14.665 1.00 0.00 H new ATOM 0 HD2 HIS A 118 10.658 20.084 -13.163 1.00 0.00 H new ATOM 0 HE1 HIS A 118 13.893 19.123 -15.735 1.00 0.00 H new ATOM 1903 N SER A 119 13.195 24.266 -10.249 1.00 0.00 N ATOM 1904 CA SER A 119 13.150 25.583 -9.623 1.00 0.00 C ATOM 1905 C SER A 119 13.849 25.564 -8.267 1.00 0.00 C ATOM 1906 O SER A 119 13.347 26.117 -7.289 1.00 0.00 O ATOM 1907 CB SER A 119 11.700 26.041 -9.456 1.00 0.00 C ATOM 1908 OG SER A 119 11.596 27.451 -9.556 1.00 0.00 O ATOM 0 H SER A 119 12.798 23.516 -9.683 1.00 0.00 H new ATOM 0 HA SER A 119 13.673 26.285 -10.272 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.077 25.572 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.321 25.713 -8.488 1.00 0.00 H new ATOM 0 HG SER A 119 10.659 27.718 -9.447 1.00 0.00 H new ATOM 1914 N GLY A 120 15.012 24.922 -8.216 1.00 0.00 N ATOM 1915 CA GLY A 120 15.762 24.842 -6.976 1.00 0.00 C ATOM 1916 C GLY A 120 16.544 26.108 -6.689 1.00 0.00 C ATOM 1917 O GLY A 120 16.626 27.014 -7.519 1.00 0.00 O ATOM 0 H GLY A 120 15.448 24.456 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 120 15.076 24.648 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 120 16.449 23.997 -7.024 1.00 0.00 H new ATOM 1921 N PRO A 121 17.134 26.184 -5.487 1.00 0.00 N ATOM 1922 CA PRO A 121 17.923 27.345 -5.064 1.00 0.00 C ATOM 1923 C PRO A 121 19.238 27.461 -5.826 1.00 0.00 C ATOM 1924 O PRO A 121 20.001 28.406 -5.627 1.00 0.00 O ATOM 1925 CB PRO A 121 18.186 27.074 -3.581 1.00 0.00 C ATOM 1926 CG PRO A 121 18.104 25.592 -3.446 1.00 0.00 C ATOM 1927 CD PRO A 121 17.078 25.142 -4.448 1.00 0.00 C ATOM 0 HA PRO A 121 17.401 28.283 -5.254 1.00 0.00 H new ATOM 0 HB2 PRO A 121 19.165 27.445 -3.278 1.00 0.00 H new ATOM 0 HB3 PRO A 121 17.448 27.570 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 121 19.071 25.128 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.813 25.308 -2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.316 24.158 -4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 121 16.086 25.072 -4.003 1.00 0.00 H new ATOM 1935 N SER A 122 19.498 26.493 -6.700 1.00 0.00 N ATOM 1936 CA SER A 122 20.724 26.486 -7.490 1.00 0.00 C ATOM 1937 C SER A 122 20.431 26.816 -8.951 1.00 0.00 C ATOM 1938 O SER A 122 19.295 26.698 -9.410 1.00 0.00 O ATOM 1939 CB SER A 122 21.410 25.122 -7.392 1.00 0.00 C ATOM 1940 OG SER A 122 22.593 25.089 -8.171 1.00 0.00 O ATOM 0 H SER A 122 18.876 25.704 -6.879 1.00 0.00 H new ATOM 0 HA SER A 122 21.390 27.250 -7.089 1.00 0.00 H new ATOM 0 HB2 SER A 122 21.650 24.906 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 122 20.727 24.343 -7.730 1.00 0.00 H new ATOM 0 HG SER A 122 23.013 24.207 -8.090 1.00 0.00 H new ATOM 1946 N SER A 123 21.464 27.231 -9.676 1.00 0.00 N ATOM 1947 CA SER A 123 21.319 27.583 -11.083 1.00 0.00 C ATOM 1948 C SER A 123 21.873 26.480 -11.979 1.00 0.00 C ATOM 1949 O SER A 123 22.549 26.751 -12.971 1.00 0.00 O ATOM 1950 CB SER A 123 22.034 28.903 -11.378 1.00 0.00 C ATOM 1951 OG SER A 123 23.436 28.770 -11.215 1.00 0.00 O ATOM 0 H SER A 123 22.411 27.332 -9.312 1.00 0.00 H new ATOM 0 HA SER A 123 20.256 27.699 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.811 29.221 -12.396 1.00 0.00 H new ATOM 0 HB3 SER A 123 21.659 29.680 -10.712 1.00 0.00 H new ATOM 0 HG SER A 123 23.871 29.626 -11.411 1.00 0.00 H new ATOM 1957 N GLY A 124 21.581 25.233 -11.622 1.00 0.00 N ATOM 1958 CA GLY A 124 22.058 24.106 -12.402 1.00 0.00 C ATOM 1959 C GLY A 124 20.927 23.250 -12.935 1.00 0.00 C ATOM 1960 O GLY A 124 20.538 23.421 -14.090 1.00 0.00 O ATOM 0 H GLY A 124 21.022 24.983 -10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 124 22.656 24.473 -13.236 1.00 0.00 H new ATOM 0 HA3 GLY A 124 22.714 23.492 -11.785 1.00 0.00 H new TER 1964 GLY A 124 HETATM 1965 ZN ZN A 200 -2.098 -5.174 12.877 1.00 0.00 ZN HETATM 1966 ZN ZN A 300 -4.412 -15.056 2.555 1.00 0.00 ZN HETATM 1967 ZN ZN A 400 0.687 -5.937 -11.557 1.00 0.00 ZN HETATM 1968 ZN ZN A 500 11.107 17.438 -14.275 1.00 0.00 ZN