USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1007 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 THR OG1 : rot 12:sc= 0.463 USER MOD Set 1.2: A 57 SER OG : rot 39:sc= 0.753 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 60:sc= 0.676 USER MOD Single : A 13 THR OG1 : rot 39:sc= 0.0646 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -7.76! C(o=-7.8!,f=-15!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 165:sc= -0.0131 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.876 USER MOD Single : A 42 HIS : no HD1:sc= 0.535 K(o=0.54,f=-2.6!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -27:sc= 0.489 USER MOD Single : A 48 ASN : amide:sc= -3.46! C(o=-3.5!,f=-3!) USER MOD Single : A 50 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 52 HIS : no HD1:sc=-0.00317 X(o=-0.0032,f=-0.28) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.376 K(o=-0.38,f=-3!) USER MOD Single : A 66 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.074) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0951 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.99 USER MOD Single : A 71 SER OG : rot -40:sc= 1.12 USER MOD Single : A 72 MET CE :methyl -139:sc= -8.31! (180deg=-12.9!) USER MOD Single : A 75 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.044) USER MOD Single : A 76 ASN : amide:sc= -2.94! C(o=-2.9!,f=-2.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 56:sc= 0.953 USER MOD Single : A 87 SER OG : rot 180:sc= -0.216 USER MOD Single : A 88 LYS NZ :NH3+ -145:sc= -0.028 (180deg=-1.17) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -5:sc= 0.421! USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0586 USER MOD Single : A 101 LYS NZ :NH3+ -146:sc= 1.13 (180deg=-0.737) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 106 THR OG1 : rot -150:sc= -0.115 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 16:sc= 0.599! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.519 -35.873 38.801 1.00 0.00 N ATOM 2 CA GLY A 1 -2.953 -35.685 37.476 1.00 0.00 C ATOM 3 C GLY A 1 -2.982 -34.210 37.072 1.00 0.00 C ATOM 4 O GLY A 1 -3.546 -33.379 37.782 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.788 -36.243 39.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.867 -34.962 39.162 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.308 -36.549 38.749 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.926 -36.050 37.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.512 -36.276 36.750 1.00 0.00 H new ATOM 8 N SER A 2 -2.368 -33.929 35.932 1.00 0.00 N ATOM 9 CA SER A 2 -2.316 -32.569 35.424 1.00 0.00 C ATOM 10 C SER A 2 -1.710 -31.640 36.478 1.00 0.00 C ATOM 11 O SER A 2 -2.385 -31.250 37.430 1.00 0.00 O ATOM 12 CB SER A 2 -3.708 -32.078 35.022 1.00 0.00 C ATOM 13 OG SER A 2 -4.051 -32.474 33.697 1.00 0.00 O ATOM 0 H SER A 2 -1.902 -34.621 35.345 1.00 0.00 H new ATOM 0 HA SER A 2 -1.686 -32.560 34.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.447 -32.471 35.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.745 -30.991 35.097 1.00 0.00 H new ATOM 0 HG SER A 2 -4.947 -32.143 33.478 1.00 0.00 H new ATOM 19 N SER A 3 -0.443 -31.311 36.273 1.00 0.00 N ATOM 20 CA SER A 3 0.262 -30.435 37.194 1.00 0.00 C ATOM 21 C SER A 3 1.140 -29.454 36.414 1.00 0.00 C ATOM 22 O SER A 3 1.726 -29.816 35.395 1.00 0.00 O ATOM 23 CB SER A 3 1.111 -31.241 38.179 1.00 0.00 C ATOM 24 OG SER A 3 1.678 -30.416 39.193 1.00 0.00 O ATOM 0 H SER A 3 0.114 -31.635 35.482 1.00 0.00 H new ATOM 0 HA SER A 3 -0.477 -29.875 37.767 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.496 -32.013 38.641 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.908 -31.751 37.638 1.00 0.00 H new ATOM 0 HG SER A 3 2.211 -30.967 39.803 1.00 0.00 H new ATOM 30 N GLY A 4 1.202 -28.233 36.923 1.00 0.00 N ATOM 31 CA GLY A 4 1.999 -27.197 36.287 1.00 0.00 C ATOM 32 C GLY A 4 1.792 -25.846 36.975 1.00 0.00 C ATOM 33 O GLY A 4 0.980 -25.730 37.891 1.00 0.00 O ATOM 0 H GLY A 4 0.714 -27.937 37.768 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.054 -27.470 36.324 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.727 -27.119 35.234 1.00 0.00 H new ATOM 37 N SER A 5 2.543 -24.859 36.508 1.00 0.00 N ATOM 38 CA SER A 5 2.452 -23.521 37.068 1.00 0.00 C ATOM 39 C SER A 5 2.373 -22.488 35.942 1.00 0.00 C ATOM 40 O SER A 5 3.389 -21.917 35.546 1.00 0.00 O ATOM 41 CB SER A 5 3.645 -23.224 37.978 1.00 0.00 C ATOM 42 OG SER A 5 3.234 -22.805 39.277 1.00 0.00 O ATOM 0 H SER A 5 3.217 -24.959 35.749 1.00 0.00 H new ATOM 0 HA SER A 5 1.546 -23.462 37.671 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.266 -24.116 38.064 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.262 -22.448 37.525 1.00 0.00 H new ATOM 0 HG SER A 5 4.024 -22.627 39.828 1.00 0.00 H new ATOM 48 N SER A 6 1.158 -22.278 35.459 1.00 0.00 N ATOM 49 CA SER A 6 0.933 -21.324 34.387 1.00 0.00 C ATOM 50 C SER A 6 -0.541 -21.336 33.976 1.00 0.00 C ATOM 51 O SER A 6 -1.249 -22.313 34.218 1.00 0.00 O ATOM 52 CB SER A 6 1.823 -21.630 33.181 1.00 0.00 C ATOM 53 OG SER A 6 2.948 -20.758 33.112 1.00 0.00 O ATOM 0 H SER A 6 0.318 -22.753 35.791 1.00 0.00 H new ATOM 0 HA SER A 6 1.193 -20.331 34.753 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.168 -22.662 33.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.237 -21.539 32.266 1.00 0.00 H new ATOM 0 HG SER A 6 3.487 -20.854 33.925 1.00 0.00 H new ATOM 59 N GLY A 7 -0.960 -20.240 33.360 1.00 0.00 N ATOM 60 CA GLY A 7 -2.336 -20.113 32.913 1.00 0.00 C ATOM 61 C GLY A 7 -2.757 -18.643 32.845 1.00 0.00 C ATOM 62 O GLY A 7 -3.135 -18.054 33.857 1.00 0.00 O ATOM 0 H GLY A 7 -0.370 -19.432 33.160 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.447 -20.573 31.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.995 -20.653 33.594 1.00 0.00 H new ATOM 66 N VAL A 8 -2.677 -18.093 31.642 1.00 0.00 N ATOM 67 CA VAL A 8 -3.045 -16.703 31.429 1.00 0.00 C ATOM 68 C VAL A 8 -4.064 -16.619 30.291 1.00 0.00 C ATOM 69 O VAL A 8 -3.911 -17.281 29.266 1.00 0.00 O ATOM 70 CB VAL A 8 -1.792 -15.864 31.172 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.162 -14.439 30.757 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.876 -15.857 32.398 1.00 0.00 C ATOM 0 H VAL A 8 -2.363 -18.584 30.805 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.518 -16.292 32.321 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.246 -16.322 30.348 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.253 -13.864 30.580 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.756 -14.469 29.843 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.741 -13.968 31.551 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.007 -15.254 32.189 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.410 -15.435 33.249 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.571 -16.877 32.631 1.00 0.00 H new ATOM 82 N VAL A 9 -5.082 -15.800 30.511 1.00 0.00 N ATOM 83 CA VAL A 9 -6.126 -15.620 29.517 1.00 0.00 C ATOM 84 C VAL A 9 -6.199 -14.144 29.121 1.00 0.00 C ATOM 85 O VAL A 9 -6.007 -13.263 29.957 1.00 0.00 O ATOM 86 CB VAL A 9 -7.454 -16.163 30.049 1.00 0.00 C ATOM 87 CG1 VAL A 9 -7.942 -15.342 31.245 1.00 0.00 C ATOM 88 CG2 VAL A 9 -8.512 -16.204 28.945 1.00 0.00 C ATOM 0 H VAL A 9 -5.206 -15.254 31.363 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.896 -16.187 28.615 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.285 -17.185 30.389 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.887 -15.749 31.604 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.201 -15.387 32.043 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.085 -14.305 30.940 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.446 -16.594 29.350 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.676 -15.197 28.560 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.170 -16.850 28.137 1.00 0.00 H new ATOM 98 N ALA A 10 -6.478 -13.920 27.845 1.00 0.00 N ATOM 99 CA ALA A 10 -6.578 -12.566 27.328 1.00 0.00 C ATOM 100 C ALA A 10 -7.880 -12.422 26.537 1.00 0.00 C ATOM 101 O ALA A 10 -8.058 -13.067 25.505 1.00 0.00 O ATOM 102 CB ALA A 10 -5.344 -12.249 26.482 1.00 0.00 C ATOM 0 H ALA A 10 -6.638 -14.653 27.154 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.606 -11.845 28.145 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.420 -11.233 26.094 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.449 -12.337 27.097 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.283 -12.951 25.650 1.00 0.00 H new ATOM 108 N PRO A 11 -8.780 -11.549 27.064 1.00 0.00 N ATOM 109 CA PRO A 11 -10.060 -11.312 26.418 1.00 0.00 C ATOM 110 C PRO A 11 -9.892 -10.441 25.172 1.00 0.00 C ATOM 111 O PRO A 11 -9.984 -9.216 25.250 1.00 0.00 O ATOM 112 CB PRO A 11 -10.925 -10.663 27.486 1.00 0.00 C ATOM 113 CG PRO A 11 -9.963 -10.137 28.539 1.00 0.00 C ATOM 114 CD PRO A 11 -8.603 -10.767 28.284 1.00 0.00 C ATOM 0 HA PRO A 11 -10.523 -12.228 26.052 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.524 -9.855 27.066 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.620 -11.384 27.917 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.896 -9.050 28.486 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.318 -10.386 29.539 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.832 -10.007 28.159 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.296 -11.398 29.118 1.00 0.00 H new ATOM 122 N ILE A 12 -9.650 -11.106 24.052 1.00 0.00 N ATOM 123 CA ILE A 12 -9.469 -10.407 22.791 1.00 0.00 C ATOM 124 C ILE A 12 -10.775 -9.708 22.408 1.00 0.00 C ATOM 125 O ILE A 12 -11.852 -10.116 22.842 1.00 0.00 O ATOM 126 CB ILE A 12 -8.946 -11.364 21.718 1.00 0.00 C ATOM 127 CG1 ILE A 12 -9.864 -12.579 21.573 1.00 0.00 C ATOM 128 CG2 ILE A 12 -7.499 -11.770 22.004 1.00 0.00 C ATOM 129 CD1 ILE A 12 -10.632 -12.531 20.250 1.00 0.00 C ATOM 0 H ILE A 12 -9.575 -12.121 23.991 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.710 -9.632 22.891 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.951 -10.841 20.762 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.273 -13.494 21.622 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.567 -12.609 22.405 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.152 -12.450 21.227 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.868 -10.882 22.017 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.445 -12.268 22.972 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.277 -13.406 20.172 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.240 -11.627 20.215 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.926 -12.525 19.419 1.00 0.00 H new ATOM 141 N THR A 13 -10.638 -8.668 21.599 1.00 0.00 N ATOM 142 CA THR A 13 -11.794 -7.909 21.153 1.00 0.00 C ATOM 143 C THR A 13 -11.841 -7.860 19.624 1.00 0.00 C ATOM 144 O THR A 13 -10.833 -7.582 18.977 1.00 0.00 O ATOM 145 CB THR A 13 -11.731 -6.526 21.804 1.00 0.00 C ATOM 146 OG1 THR A 13 -10.415 -6.064 21.513 1.00 0.00 O ATOM 147 CG2 THR A 13 -11.772 -6.596 23.332 1.00 0.00 C ATOM 0 H THR A 13 -9.744 -8.333 21.241 1.00 0.00 H new ATOM 0 HA THR A 13 -12.724 -8.386 21.461 1.00 0.00 H new ATOM 0 HB THR A 13 -12.562 -5.918 21.446 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.169 -6.329 20.602 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.725 -5.588 23.744 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.698 -7.074 23.650 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.922 -7.176 23.693 1.00 0.00 H new ATOM 155 N THR A 14 -13.023 -8.134 19.092 1.00 0.00 N ATOM 156 CA THR A 14 -13.215 -8.124 17.651 1.00 0.00 C ATOM 157 C THR A 14 -12.367 -7.026 17.008 1.00 0.00 C ATOM 158 O THR A 14 -12.115 -5.990 17.622 1.00 0.00 O ATOM 159 CB THR A 14 -14.713 -7.975 17.375 1.00 0.00 C ATOM 160 OG1 THR A 14 -14.770 -7.204 16.178 1.00 0.00 O ATOM 161 CG2 THR A 14 -15.416 -7.101 18.416 1.00 0.00 C ATOM 0 H THR A 14 -13.857 -8.364 19.632 1.00 0.00 H new ATOM 0 HA THR A 14 -12.878 -9.057 17.200 1.00 0.00 H new ATOM 0 HB THR A 14 -15.178 -8.960 17.355 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.706 -7.061 15.925 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.476 -7.028 18.174 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.300 -7.547 19.404 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.974 -6.105 18.413 1.00 0.00 H new ATOM 169 N GLY A 15 -11.949 -7.289 15.778 1.00 0.00 N ATOM 170 CA GLY A 15 -11.134 -6.336 15.044 1.00 0.00 C ATOM 171 C GLY A 15 -10.188 -7.053 14.079 1.00 0.00 C ATOM 172 O GLY A 15 -9.674 -8.126 14.389 1.00 0.00 O ATOM 0 H GLY A 15 -12.160 -8.149 15.271 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.777 -5.654 14.489 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.556 -5.731 15.743 1.00 0.00 H new ATOM 176 N TYR A 16 -9.987 -6.430 12.927 1.00 0.00 N ATOM 177 CA TYR A 16 -9.112 -6.995 11.914 1.00 0.00 C ATOM 178 C TYR A 16 -8.958 -6.040 10.728 1.00 0.00 C ATOM 179 O TYR A 16 -9.629 -5.011 10.664 1.00 0.00 O ATOM 180 CB TYR A 16 -9.794 -8.278 11.435 1.00 0.00 C ATOM 181 CG TYR A 16 -10.845 -8.054 10.345 1.00 0.00 C ATOM 182 CD1 TYR A 16 -11.604 -6.902 10.345 1.00 0.00 C ATOM 183 CD2 TYR A 16 -11.034 -9.005 9.363 1.00 0.00 C ATOM 184 CE1 TYR A 16 -12.593 -6.691 9.320 1.00 0.00 C ATOM 185 CE2 TYR A 16 -12.023 -8.795 8.338 1.00 0.00 C ATOM 186 CZ TYR A 16 -12.754 -7.648 8.367 1.00 0.00 C ATOM 187 OH TYR A 16 -13.688 -7.450 7.399 1.00 0.00 O ATOM 0 H TYR A 16 -10.415 -5.540 12.673 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.119 -7.178 12.324 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.034 -8.962 11.058 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.267 -8.766 12.287 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -11.456 -6.158 11.114 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.440 -9.907 9.363 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -13.193 -5.793 9.308 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.181 -9.531 7.564 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.691 -8.215 6.786 1.00 0.00 H new ATOM 197 N THR A 17 -8.070 -6.415 9.819 1.00 0.00 N ATOM 198 CA THR A 17 -7.819 -5.605 8.639 1.00 0.00 C ATOM 199 C THR A 17 -7.696 -6.492 7.399 1.00 0.00 C ATOM 200 O THR A 17 -7.213 -7.620 7.484 1.00 0.00 O ATOM 201 CB THR A 17 -6.575 -4.755 8.904 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.505 -4.676 10.325 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.752 -3.302 8.458 1.00 0.00 C ATOM 0 H THR A 17 -7.515 -7.269 9.876 1.00 0.00 H new ATOM 0 HA THR A 17 -8.653 -4.932 8.437 1.00 0.00 H new ATOM 0 HB THR A 17 -5.721 -5.191 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.725 -4.143 10.585 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.840 -2.743 8.669 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.957 -3.272 7.388 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.585 -2.854 8.999 1.00 0.00 H new ATOM 211 N VAL A 18 -8.140 -5.949 6.275 1.00 0.00 N ATOM 212 CA VAL A 18 -8.086 -6.678 5.019 1.00 0.00 C ATOM 213 C VAL A 18 -6.653 -6.655 4.483 1.00 0.00 C ATOM 214 O VAL A 18 -5.881 -5.753 4.804 1.00 0.00 O ATOM 215 CB VAL A 18 -9.102 -6.099 4.033 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.878 -6.653 2.625 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.534 -6.362 4.504 1.00 0.00 C ATOM 0 H VAL A 18 -8.539 -5.013 6.208 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.360 -7.722 5.171 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.954 -5.020 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.614 -6.225 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.875 -6.392 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.985 -7.738 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.237 -5.940 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.699 -7.436 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.688 -5.897 5.478 1.00 0.00 H new ATOM 227 N LYS A 19 -6.341 -7.658 3.675 1.00 0.00 N ATOM 228 CA LYS A 19 -5.015 -7.764 3.091 1.00 0.00 C ATOM 229 C LYS A 19 -5.078 -7.364 1.616 1.00 0.00 C ATOM 230 O LYS A 19 -5.864 -7.921 0.851 1.00 0.00 O ATOM 231 CB LYS A 19 -4.436 -9.161 3.326 1.00 0.00 C ATOM 232 CG LYS A 19 -4.893 -10.133 2.236 1.00 0.00 C ATOM 233 CD LYS A 19 -4.960 -11.564 2.771 1.00 0.00 C ATOM 234 CE LYS A 19 -3.965 -12.470 2.042 1.00 0.00 C ATOM 235 NZ LYS A 19 -3.961 -13.823 2.641 1.00 0.00 N ATOM 0 H LYS A 19 -6.984 -8.404 3.411 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.328 -7.073 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.347 -9.110 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.750 -9.530 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.873 -9.834 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.205 -10.088 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.744 -11.567 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.970 -11.955 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.228 -12.534 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.965 -12.039 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.281 -14.425 2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.688 -13.759 3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.912 -14.238 2.568 1.00 0.00 H new ATOM 249 N ILE A 20 -4.241 -6.401 1.260 1.00 0.00 N ATOM 250 CA ILE A 20 -4.191 -5.920 -0.110 1.00 0.00 C ATOM 251 C ILE A 20 -3.304 -6.850 -0.941 1.00 0.00 C ATOM 252 O ILE A 20 -2.085 -6.692 -0.965 1.00 0.00 O ATOM 253 CB ILE A 20 -3.753 -4.455 -0.148 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.571 -3.612 0.832 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.816 -3.900 -1.573 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.114 -2.151 0.813 1.00 0.00 C ATOM 0 H ILE A 20 -3.591 -5.940 1.897 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.184 -5.943 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.713 -4.402 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.628 -3.670 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.468 -4.016 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.500 -2.857 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.155 -4.479 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.838 -3.968 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.712 -1.574 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.063 -2.095 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.242 -1.743 -0.190 1.00 0.00 H new ATOM 268 N SER A 21 -3.951 -7.798 -1.602 1.00 0.00 N ATOM 269 CA SER A 21 -3.236 -8.753 -2.431 1.00 0.00 C ATOM 270 C SER A 21 -2.888 -8.118 -3.779 1.00 0.00 C ATOM 271 O SER A 21 -1.715 -8.013 -4.135 1.00 0.00 O ATOM 272 CB SER A 21 -4.060 -10.025 -2.642 1.00 0.00 C ATOM 273 OG SER A 21 -3.497 -10.866 -3.645 1.00 0.00 O ATOM 0 H SER A 21 -4.963 -7.925 -1.580 1.00 0.00 H new ATOM 0 HA SER A 21 -2.315 -9.029 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.125 -10.575 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.078 -9.755 -2.925 1.00 0.00 H new ATOM 0 HG SER A 21 -4.051 -11.668 -3.748 1.00 0.00 H new ATOM 279 N ASN A 22 -3.928 -7.709 -4.491 1.00 0.00 N ATOM 280 CA ASN A 22 -3.747 -7.087 -5.791 1.00 0.00 C ATOM 281 C ASN A 22 -3.485 -5.591 -5.604 1.00 0.00 C ATOM 282 O ASN A 22 -4.318 -4.876 -5.049 1.00 0.00 O ATOM 283 CB ASN A 22 -4.999 -7.243 -6.656 1.00 0.00 C ATOM 284 CG ASN A 22 -4.675 -7.965 -7.965 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.527 -8.180 -8.318 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.748 -8.327 -8.663 1.00 0.00 N ATOM 0 H ASN A 22 -4.899 -7.796 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.906 -7.575 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.757 -7.801 -6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.420 -6.261 -6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.637 -8.816 -9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.681 -8.116 -8.310 1.00 0.00 H new ATOM 293 N TYR A 23 -2.324 -5.162 -6.077 1.00 0.00 N ATOM 294 CA TYR A 23 -1.942 -3.765 -5.969 1.00 0.00 C ATOM 295 C TYR A 23 -1.046 -3.349 -7.138 1.00 0.00 C ATOM 296 O TYR A 23 -0.072 -4.032 -7.451 1.00 0.00 O ATOM 297 CB TYR A 23 -1.148 -3.644 -4.666 1.00 0.00 C ATOM 298 CG TYR A 23 0.056 -4.584 -4.582 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.227 -4.265 -5.239 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.028 -5.750 -3.849 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.361 -5.149 -5.160 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.106 -6.634 -3.770 1.00 0.00 C ATOM 303 CZ TYR A 23 2.244 -6.290 -4.429 1.00 0.00 C ATOM 304 OH TYR A 23 3.315 -7.125 -4.354 1.00 0.00 O ATOM 0 H TYR A 23 -1.635 -5.758 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.824 -3.124 -5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.802 -2.616 -4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.813 -3.847 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.293 -3.352 -5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.944 -6.000 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.283 -4.911 -5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.053 -7.550 -3.200 1.00 0.00 H new ATOM 0 HH TYR A 23 3.088 -7.899 -3.798 1.00 0.00 H new ATOM 314 N GLY A 24 -1.408 -2.231 -7.750 1.00 0.00 N ATOM 315 CA GLY A 24 -0.649 -1.716 -8.877 1.00 0.00 C ATOM 316 C GLY A 24 0.568 -0.921 -8.402 1.00 0.00 C ATOM 317 O GLY A 24 0.478 -0.156 -7.442 1.00 0.00 O ATOM 0 H GLY A 24 -2.217 -1.668 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.324 -2.542 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.287 -1.079 -9.489 1.00 0.00 H new ATOM 321 N TRP A 25 1.678 -1.128 -9.094 1.00 0.00 N ATOM 322 CA TRP A 25 2.912 -0.440 -8.755 1.00 0.00 C ATOM 323 C TRP A 25 3.662 -0.144 -10.055 1.00 0.00 C ATOM 324 O TRP A 25 3.582 -0.914 -11.011 1.00 0.00 O ATOM 325 CB TRP A 25 3.739 -1.256 -7.760 1.00 0.00 C ATOM 326 CG TRP A 25 4.418 -2.483 -8.374 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.902 -3.707 -8.554 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.766 -2.554 -8.884 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.816 -4.558 -9.141 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.985 -3.835 -9.348 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.767 -1.570 -8.952 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.198 -4.249 -9.912 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.973 -1.999 -9.518 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.210 -3.285 -9.989 1.00 0.00 C ATOM 0 H TRP A 25 1.749 -1.763 -9.889 1.00 0.00 H new ATOM 0 HA TRP A 25 2.701 0.504 -8.253 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.502 -0.612 -7.323 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.092 -1.581 -6.946 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.898 -3.991 -8.275 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.662 -5.538 -9.379 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.617 -0.562 -8.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.345 -5.258 -10.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.776 -1.280 -9.594 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.170 -3.539 -10.412 1.00 0.00 H new ATOM 345 N ASP A 26 4.374 0.974 -10.049 1.00 0.00 N ATOM 346 CA ASP A 26 5.137 1.381 -11.217 1.00 0.00 C ATOM 347 C ASP A 26 6.427 2.067 -10.763 1.00 0.00 C ATOM 348 O ASP A 26 6.452 2.724 -9.723 1.00 0.00 O ATOM 349 CB ASP A 26 4.348 2.375 -12.072 1.00 0.00 C ATOM 350 CG ASP A 26 2.861 2.053 -12.231 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.542 0.844 -12.266 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.076 3.022 -12.313 1.00 0.00 O ATOM 0 H ASP A 26 4.438 1.610 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 26 5.352 0.490 -11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.444 3.367 -11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.802 2.421 -13.062 1.00 0.00 H new ATOM 357 N GLN A 27 7.466 1.893 -11.565 1.00 0.00 N ATOM 358 CA GLN A 27 8.756 2.487 -11.260 1.00 0.00 C ATOM 359 C GLN A 27 9.239 3.342 -12.433 1.00 0.00 C ATOM 360 O GLN A 27 8.950 3.036 -13.589 1.00 0.00 O ATOM 361 CB GLN A 27 9.786 1.412 -10.906 1.00 0.00 C ATOM 362 CG GLN A 27 10.069 0.507 -12.106 1.00 0.00 C ATOM 363 CD GLN A 27 9.075 -0.655 -12.163 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.968 -0.585 -11.656 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.531 -1.726 -12.808 1.00 0.00 N ATOM 0 H GLN A 27 7.441 1.348 -12.427 1.00 0.00 H new ATOM 0 HA GLN A 27 8.638 3.132 -10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.711 1.885 -10.576 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.420 0.813 -10.073 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.008 1.088 -13.026 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.085 0.118 -12.041 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.469 -1.719 -13.210 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.943 -2.554 -12.901 1.00 0.00 H new ATOM 374 N SER A 28 9.965 4.398 -12.096 1.00 0.00 N ATOM 375 CA SER A 28 10.489 5.300 -13.107 1.00 0.00 C ATOM 376 C SER A 28 11.910 5.730 -12.738 1.00 0.00 C ATOM 377 O SER A 28 12.260 5.785 -11.560 1.00 0.00 O ATOM 378 CB SER A 28 9.589 6.526 -13.272 1.00 0.00 C ATOM 379 OG SER A 28 8.918 6.530 -14.529 1.00 0.00 O ATOM 0 H SER A 28 10.203 4.649 -11.136 1.00 0.00 H new ATOM 0 HA SER A 28 10.512 4.770 -14.059 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.853 6.546 -12.468 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.189 7.431 -13.178 1.00 0.00 H new ATOM 0 HG SER A 28 8.352 7.327 -14.595 1.00 0.00 H new ATOM 385 N ASP A 29 12.692 6.024 -13.767 1.00 0.00 N ATOM 386 CA ASP A 29 14.067 6.448 -13.565 1.00 0.00 C ATOM 387 C ASP A 29 14.080 7.778 -12.809 1.00 0.00 C ATOM 388 O ASP A 29 14.260 8.836 -13.410 1.00 0.00 O ATOM 389 CB ASP A 29 14.780 6.657 -14.902 1.00 0.00 C ATOM 390 CG ASP A 29 14.615 5.517 -15.909 1.00 0.00 C ATOM 391 OD1 ASP A 29 15.063 4.398 -15.577 1.00 0.00 O ATOM 392 OD2 ASP A 29 14.044 5.790 -16.987 1.00 0.00 O ATOM 0 H ASP A 29 12.399 5.977 -14.743 1.00 0.00 H new ATOM 0 HA ASP A 29 14.581 5.670 -13.000 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.410 7.577 -15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.843 6.801 -14.711 1.00 0.00 H new ATOM 397 N LYS A 30 13.887 7.681 -11.501 1.00 0.00 N ATOM 398 CA LYS A 30 13.875 8.863 -10.657 1.00 0.00 C ATOM 399 C LYS A 30 13.363 8.485 -9.266 1.00 0.00 C ATOM 400 O LYS A 30 14.029 8.743 -8.264 1.00 0.00 O ATOM 401 CB LYS A 30 13.079 9.988 -11.321 1.00 0.00 C ATOM 402 CG LYS A 30 13.989 11.160 -11.691 1.00 0.00 C ATOM 403 CD LYS A 30 13.296 12.103 -12.676 1.00 0.00 C ATOM 404 CE LYS A 30 13.891 13.511 -12.598 1.00 0.00 C ATOM 405 NZ LYS A 30 13.027 14.478 -13.312 1.00 0.00 N ATOM 0 H LYS A 30 13.738 6.802 -11.006 1.00 0.00 H new ATOM 0 HA LYS A 30 14.886 9.251 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.586 9.610 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.295 10.331 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.266 11.708 -10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.912 10.783 -12.131 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.400 11.716 -13.690 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.229 12.143 -12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.998 13.810 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.890 13.515 -13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.445 15.428 -13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.946 14.200 -14.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.082 14.486 -12.878 1.00 0.00 H new ATOM 419 N PHE A 31 12.184 7.880 -9.248 1.00 0.00 N ATOM 420 CA PHE A 31 11.575 7.464 -7.996 1.00 0.00 C ATOM 421 C PHE A 31 10.589 6.316 -8.221 1.00 0.00 C ATOM 422 O PHE A 31 10.235 6.010 -9.359 1.00 0.00 O ATOM 423 CB PHE A 31 10.815 8.672 -7.445 1.00 0.00 C ATOM 424 CG PHE A 31 11.651 9.952 -7.372 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.677 10.044 -6.485 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.367 10.997 -8.195 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.452 11.232 -6.417 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.142 12.185 -8.127 1.00 0.00 C ATOM 429 CZ PHE A 31 13.169 12.277 -7.239 1.00 0.00 C ATOM 0 H PHE A 31 11.634 7.668 -10.081 1.00 0.00 H new ATOM 0 HA PHE A 31 12.344 7.117 -7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.942 8.856 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.447 8.433 -6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.903 9.214 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.552 10.923 -8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.267 11.305 -5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.916 13.015 -8.780 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.759 13.180 -7.187 1.00 0.00 H new ATOM 439 N VAL A 32 10.174 5.710 -7.118 1.00 0.00 N ATOM 440 CA VAL A 32 9.235 4.603 -7.180 1.00 0.00 C ATOM 441 C VAL A 32 7.918 5.018 -6.522 1.00 0.00 C ATOM 442 O VAL A 32 7.920 5.694 -5.495 1.00 0.00 O ATOM 443 CB VAL A 32 9.855 3.356 -6.545 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.779 2.322 -6.206 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.929 2.754 -7.453 1.00 0.00 C ATOM 0 H VAL A 32 10.471 5.965 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 32 9.013 4.348 -8.216 1.00 0.00 H new ATOM 0 HB VAL A 32 10.335 3.657 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.245 1.446 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.067 2.755 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.257 2.028 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.353 1.869 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.484 2.475 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.717 3.488 -7.621 1.00 0.00 H new ATOM 455 N LYS A 33 6.825 4.595 -7.141 1.00 0.00 N ATOM 456 CA LYS A 33 5.504 4.914 -6.628 1.00 0.00 C ATOM 457 C LYS A 33 4.563 3.736 -6.885 1.00 0.00 C ATOM 458 O LYS A 33 4.685 3.050 -7.899 1.00 0.00 O ATOM 459 CB LYS A 33 5.007 6.237 -7.214 1.00 0.00 C ATOM 460 CG LYS A 33 3.515 6.433 -6.938 1.00 0.00 C ATOM 461 CD LYS A 33 3.127 7.909 -7.043 1.00 0.00 C ATOM 462 CE LYS A 33 3.928 8.610 -8.142 1.00 0.00 C ATOM 463 NZ LYS A 33 3.191 9.789 -8.648 1.00 0.00 N ATOM 0 H LYS A 33 6.828 4.034 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 33 5.541 5.063 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.572 7.064 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.187 6.253 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.930 5.848 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.274 6.060 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.061 7.994 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.303 8.404 -6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.898 8.920 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.120 7.915 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.748 10.253 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.276 9.485 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.030 10.458 -7.869 1.00 0.00 H new ATOM 477 N ILE A 34 3.646 3.536 -5.950 1.00 0.00 N ATOM 478 CA ILE A 34 2.685 2.453 -6.063 1.00 0.00 C ATOM 479 C ILE A 34 1.270 3.032 -6.086 1.00 0.00 C ATOM 480 O ILE A 34 1.021 4.096 -5.521 1.00 0.00 O ATOM 481 CB ILE A 34 2.909 1.421 -4.955 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.292 0.779 -5.075 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.791 0.376 -4.946 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.262 1.368 -4.049 1.00 0.00 C ATOM 0 H ILE A 34 3.548 4.106 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 34 2.825 1.916 -7.001 1.00 0.00 H new ATOM 0 HB ILE A 34 2.876 1.937 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.211 -0.298 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.683 0.934 -6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.974 -0.346 -4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.834 0.869 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.768 -0.141 -5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.238 0.894 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.360 2.441 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.881 1.190 -3.044 1.00 0.00 H new ATOM 496 N TYR A 35 0.378 2.307 -6.746 1.00 0.00 N ATOM 497 CA TYR A 35 -1.006 2.737 -6.850 1.00 0.00 C ATOM 498 C TYR A 35 -1.962 1.571 -6.592 1.00 0.00 C ATOM 499 O TYR A 35 -2.077 0.663 -7.415 1.00 0.00 O ATOM 500 CB TYR A 35 -1.190 3.222 -8.289 1.00 0.00 C ATOM 501 CG TYR A 35 0.021 3.968 -8.854 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.204 3.293 -9.077 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.069 5.315 -9.140 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.344 3.995 -9.608 1.00 0.00 C ATOM 505 CE2 TYR A 35 1.070 6.016 -9.671 1.00 0.00 C ATOM 506 CZ TYR A 35 2.221 5.322 -9.879 1.00 0.00 C ATOM 507 OH TYR A 35 3.297 5.985 -10.381 1.00 0.00 O ATOM 0 H TYR A 35 0.587 1.425 -7.214 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.223 3.513 -6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.405 2.364 -8.926 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.060 3.877 -8.332 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.275 2.239 -8.853 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.995 5.843 -8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.276 3.479 -9.787 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.012 7.070 -9.899 1.00 0.00 H new ATOM 0 HH TYR A 35 3.008 6.847 -10.748 1.00 0.00 H new ATOM 517 N ILE A 36 -2.625 1.633 -5.446 1.00 0.00 N ATOM 518 CA ILE A 36 -3.567 0.593 -5.069 1.00 0.00 C ATOM 519 C ILE A 36 -4.992 1.140 -5.175 1.00 0.00 C ATOM 520 O ILE A 36 -5.210 2.345 -5.049 1.00 0.00 O ATOM 521 CB ILE A 36 -3.224 0.034 -3.687 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.826 -0.586 -3.678 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.293 -0.954 -3.215 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.837 0.303 -2.921 1.00 0.00 C ATOM 0 H ILE A 36 -2.528 2.387 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.497 -0.251 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.214 0.861 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.864 -1.571 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.481 -0.730 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.025 -1.337 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.257 -0.448 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.360 -1.782 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.149 -0.161 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.783 1.279 -3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.172 0.425 -1.891 1.00 0.00 H new ATOM 536 N THR A 37 -5.926 0.229 -5.406 1.00 0.00 N ATOM 537 CA THR A 37 -7.324 0.606 -5.530 1.00 0.00 C ATOM 538 C THR A 37 -8.052 0.400 -4.200 1.00 0.00 C ATOM 539 O THR A 37 -8.360 -0.730 -3.825 1.00 0.00 O ATOM 540 CB THR A 37 -7.929 -0.196 -6.684 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.485 0.488 -7.852 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.454 -0.081 -6.741 1.00 0.00 C ATOM 0 H THR A 37 -5.742 -0.769 -5.511 1.00 0.00 H new ATOM 0 HA THR A 37 -7.429 1.666 -5.761 1.00 0.00 H new ATOM 0 HB THR A 37 -7.648 -1.244 -6.584 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.831 0.033 -8.648 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.832 -0.669 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.882 -0.456 -5.811 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.735 0.964 -6.875 1.00 0.00 H new ATOM 550 N LEU A 38 -8.306 1.511 -3.523 1.00 0.00 N ATOM 551 CA LEU A 38 -8.992 1.467 -2.243 1.00 0.00 C ATOM 552 C LEU A 38 -10.040 2.580 -2.192 1.00 0.00 C ATOM 553 O LEU A 38 -9.709 3.739 -1.947 1.00 0.00 O ATOM 554 CB LEU A 38 -7.984 1.518 -1.093 1.00 0.00 C ATOM 555 CG LEU A 38 -8.300 0.636 0.116 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.809 0.435 0.268 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.549 -0.695 0.035 1.00 0.00 C ATOM 0 H LEU A 38 -8.049 2.447 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.524 0.523 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.006 1.232 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.903 2.550 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.952 1.148 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.007 -0.196 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.293 1.402 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.204 -0.045 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.791 -1.303 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.844 -1.225 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.476 -0.506 0.011 1.00 0.00 H new ATOM 569 N THR A 39 -11.284 2.189 -2.429 1.00 0.00 N ATOM 570 CA THR A 39 -12.383 3.140 -2.413 1.00 0.00 C ATOM 571 C THR A 39 -12.694 3.571 -0.979 1.00 0.00 C ATOM 572 O THR A 39 -12.971 2.734 -0.121 1.00 0.00 O ATOM 573 CB THR A 39 -13.574 2.498 -3.127 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.385 2.843 -4.496 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.904 3.157 -2.756 1.00 0.00 C ATOM 0 H THR A 39 -11.555 1.227 -2.633 1.00 0.00 H new ATOM 0 HA THR A 39 -12.122 4.055 -2.944 1.00 0.00 H new ATOM 0 HB THR A 39 -13.615 1.437 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.113 2.465 -5.032 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.716 2.664 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.068 3.066 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.877 4.211 -3.031 1.00 0.00 H new ATOM 583 N GLY A 40 -12.638 4.877 -0.762 1.00 0.00 N ATOM 584 CA GLY A 40 -12.911 5.430 0.554 1.00 0.00 C ATOM 585 C GLY A 40 -11.625 5.923 1.219 1.00 0.00 C ATOM 586 O GLY A 40 -11.668 6.772 2.108 1.00 0.00 O ATOM 0 H GLY A 40 -12.408 5.568 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.618 6.255 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.381 4.672 1.181 1.00 0.00 H new ATOM 590 N VAL A 41 -10.511 5.369 0.763 1.00 0.00 N ATOM 591 CA VAL A 41 -9.214 5.742 1.303 1.00 0.00 C ATOM 592 C VAL A 41 -9.006 7.248 1.124 1.00 0.00 C ATOM 593 O VAL A 41 -8.155 7.843 1.782 1.00 0.00 O ATOM 594 CB VAL A 41 -8.114 4.905 0.648 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.880 5.342 -0.799 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.818 4.972 1.458 1.00 0.00 C ATOM 0 H VAL A 41 -10.480 4.665 0.026 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.171 5.532 2.372 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.447 3.867 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.093 4.731 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.800 5.217 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.580 6.390 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.053 4.368 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.480 6.007 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.997 4.589 2.463 1.00 0.00 H new ATOM 606 N HIS A 42 -9.799 7.820 0.229 1.00 0.00 N ATOM 607 CA HIS A 42 -9.712 9.244 -0.044 1.00 0.00 C ATOM 608 C HIS A 42 -10.700 9.999 0.847 1.00 0.00 C ATOM 609 O HIS A 42 -10.728 11.229 0.846 1.00 0.00 O ATOM 610 CB HIS A 42 -9.923 9.525 -1.534 1.00 0.00 C ATOM 611 CG HIS A 42 -11.360 9.412 -1.983 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.983 8.195 -2.203 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.289 10.374 -2.248 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.230 8.427 -2.585 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.418 9.778 -2.613 1.00 0.00 N ATOM 0 H HIS A 42 -10.504 7.323 -0.316 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.712 9.604 0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.561 10.528 -1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.316 8.830 -2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.133 11.440 -2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.968 7.678 -2.831 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.283 10.252 -2.872 1.00 0.00 H new ATOM 623 N GLN A 43 -11.487 9.232 1.586 1.00 0.00 N ATOM 624 CA GLN A 43 -12.474 9.813 2.480 1.00 0.00 C ATOM 625 C GLN A 43 -12.029 9.655 3.936 1.00 0.00 C ATOM 626 O GLN A 43 -12.418 10.443 4.796 1.00 0.00 O ATOM 627 CB GLN A 43 -13.852 9.187 2.257 1.00 0.00 C ATOM 628 CG GLN A 43 -14.360 9.470 0.842 1.00 0.00 C ATOM 629 CD GLN A 43 -15.889 9.513 0.807 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.519 10.467 1.234 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.449 8.430 0.277 1.00 0.00 N ATOM 0 H GLN A 43 -11.461 8.212 1.584 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.555 10.877 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.797 8.111 2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.558 9.583 2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.958 10.420 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.999 8.699 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.863 7.667 -0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.464 8.362 0.209 1.00 0.00 H new ATOM 640 N VAL A 44 -11.220 8.632 4.167 1.00 0.00 N ATOM 641 CA VAL A 44 -10.718 8.361 5.503 1.00 0.00 C ATOM 642 C VAL A 44 -9.678 9.419 5.877 1.00 0.00 C ATOM 643 O VAL A 44 -9.058 10.021 5.002 1.00 0.00 O ATOM 644 CB VAL A 44 -10.172 6.933 5.578 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.253 5.913 5.213 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.940 6.770 4.685 1.00 0.00 C ATOM 0 H VAL A 44 -10.899 7.980 3.451 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.524 8.425 6.234 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.867 6.744 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.839 4.907 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.089 6.004 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.602 6.101 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.572 5.747 4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.209 6.988 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.161 7.460 5.010 1.00 0.00 H new ATOM 656 N PRO A 45 -9.516 9.619 7.213 1.00 0.00 N ATOM 657 CA PRO A 45 -8.562 10.594 7.713 1.00 0.00 C ATOM 658 C PRO A 45 -7.128 10.076 7.581 1.00 0.00 C ATOM 659 O PRO A 45 -6.914 8.900 7.290 1.00 0.00 O ATOM 660 CB PRO A 45 -8.974 10.842 9.155 1.00 0.00 C ATOM 661 CG PRO A 45 -9.847 9.662 9.549 1.00 0.00 C ATOM 662 CD PRO A 45 -10.234 8.924 8.278 1.00 0.00 C ATOM 0 HA PRO A 45 -8.572 11.524 7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.101 10.915 9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.520 11.780 9.249 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.309 8.999 10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.737 10.005 10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.949 7.873 8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.311 8.954 8.115 1.00 0.00 H new ATOM 670 N THR A 46 -6.184 10.979 7.802 1.00 0.00 N ATOM 671 CA THR A 46 -4.777 10.628 7.712 1.00 0.00 C ATOM 672 C THR A 46 -4.348 9.825 8.941 1.00 0.00 C ATOM 673 O THR A 46 -3.212 9.359 9.017 1.00 0.00 O ATOM 674 CB THR A 46 -3.979 11.919 7.521 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.658 11.471 7.229 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.826 12.711 8.821 1.00 0.00 C ATOM 0 H THR A 46 -6.366 11.953 8.043 1.00 0.00 H new ATOM 0 HA THR A 46 -4.585 9.980 6.856 1.00 0.00 H new ATOM 0 HB THR A 46 -4.470 12.542 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.515 10.590 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.252 13.618 8.629 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.811 12.979 9.202 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.305 12.101 9.559 1.00 0.00 H new ATOM 684 N GLU A 47 -5.279 9.687 9.874 1.00 0.00 N ATOM 685 CA GLU A 47 -5.011 8.949 11.096 1.00 0.00 C ATOM 686 C GLU A 47 -5.285 7.458 10.886 1.00 0.00 C ATOM 687 O GLU A 47 -4.695 6.614 11.559 1.00 0.00 O ATOM 688 CB GLU A 47 -5.836 9.499 12.261 1.00 0.00 C ATOM 689 CG GLU A 47 -7.301 9.074 12.145 1.00 0.00 C ATOM 690 CD GLU A 47 -8.064 9.380 13.435 1.00 0.00 C ATOM 691 OE1 GLU A 47 -8.564 10.520 13.542 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.131 8.466 14.285 1.00 0.00 O ATOM 0 H GLU A 47 -6.220 10.074 9.808 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.958 9.073 11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.423 9.141 13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.769 10.587 12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.769 9.594 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.358 8.007 11.929 1.00 0.00 H new ATOM 699 N ASN A 48 -6.181 7.180 9.951 1.00 0.00 N ATOM 700 CA ASN A 48 -6.540 5.806 9.644 1.00 0.00 C ATOM 701 C ASN A 48 -5.555 5.242 8.617 1.00 0.00 C ATOM 702 O ASN A 48 -5.488 4.031 8.416 1.00 0.00 O ATOM 703 CB ASN A 48 -7.946 5.725 9.044 1.00 0.00 C ATOM 704 CG ASN A 48 -9.014 5.895 10.126 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.729 5.968 11.310 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.256 5.955 9.655 1.00 0.00 N ATOM 0 H ASN A 48 -6.669 7.883 9.396 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.510 5.235 10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.066 6.498 8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.078 4.765 8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.040 6.069 10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.425 5.887 8.651 1.00 0.00 H new ATOM 713 N VAL A 49 -4.816 6.148 7.995 1.00 0.00 N ATOM 714 CA VAL A 49 -3.837 5.757 6.995 1.00 0.00 C ATOM 715 C VAL A 49 -2.429 5.971 7.554 1.00 0.00 C ATOM 716 O VAL A 49 -1.908 7.085 7.523 1.00 0.00 O ATOM 717 CB VAL A 49 -4.086 6.521 5.693 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.173 6.012 4.576 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.557 6.436 5.280 1.00 0.00 C ATOM 0 H VAL A 49 -4.875 7.152 8.164 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.935 4.697 6.759 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.848 7.570 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.370 6.572 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.131 6.148 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.366 4.953 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.707 6.987 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.833 5.392 5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.180 6.868 6.063 1.00 0.00 H new ATOM 729 N GLN A 50 -1.853 4.887 8.051 1.00 0.00 N ATOM 730 CA GLN A 50 -0.515 4.942 8.616 1.00 0.00 C ATOM 731 C GLN A 50 0.460 4.144 7.749 1.00 0.00 C ATOM 732 O GLN A 50 0.352 2.922 7.649 1.00 0.00 O ATOM 733 CB GLN A 50 -0.508 4.434 10.059 1.00 0.00 C ATOM 734 CG GLN A 50 -0.738 5.581 11.045 1.00 0.00 C ATOM 735 CD GLN A 50 -0.082 5.283 12.395 1.00 0.00 C ATOM 736 OE1 GLN A 50 -0.233 4.215 12.966 1.00 0.00 O ATOM 737 NE2 GLN A 50 0.654 6.283 12.871 1.00 0.00 N ATOM 0 H GLN A 50 -2.288 3.965 8.074 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.190 5.982 8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.284 3.679 10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.445 3.951 10.274 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.331 6.505 10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.808 5.738 11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.738 7.151 12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.134 6.182 13.765 1.00 0.00 H new ATOM 746 N VAL A 51 1.391 4.866 7.143 1.00 0.00 N ATOM 747 CA VAL A 51 2.385 4.241 6.288 1.00 0.00 C ATOM 748 C VAL A 51 3.782 4.685 6.727 1.00 0.00 C ATOM 749 O VAL A 51 4.008 5.865 6.991 1.00 0.00 O ATOM 750 CB VAL A 51 2.090 4.561 4.821 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.409 5.925 4.684 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.365 4.498 3.978 1.00 0.00 C ATOM 0 H VAL A 51 1.478 5.879 7.227 1.00 0.00 H new ATOM 0 HA VAL A 51 2.343 3.156 6.385 1.00 0.00 H new ATOM 0 HB VAL A 51 1.403 3.803 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.210 6.128 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.469 5.920 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.062 6.700 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.127 4.729 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.087 5.223 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.792 3.497 4.038 1.00 0.00 H new ATOM 762 N HIS A 52 4.683 3.716 6.792 1.00 0.00 N ATOM 763 CA HIS A 52 6.052 3.992 7.195 1.00 0.00 C ATOM 764 C HIS A 52 7.014 3.508 6.108 1.00 0.00 C ATOM 765 O HIS A 52 6.868 2.400 5.593 1.00 0.00 O ATOM 766 CB HIS A 52 6.349 3.381 8.565 1.00 0.00 C ATOM 767 CG HIS A 52 7.811 3.399 8.942 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.496 4.565 9.231 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.709 2.381 9.074 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.750 4.252 9.523 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.881 2.898 9.424 1.00 0.00 N ATOM 0 H HIS A 52 4.492 2.738 6.572 1.00 0.00 H new ATOM 0 HA HIS A 52 6.193 5.067 7.304 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.782 3.922 9.323 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.994 2.350 8.576 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.502 1.332 8.920 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.531 4.947 9.792 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.737 2.370 9.591 1.00 0.00 H new ATOM 779 N PHE A 53 7.977 4.361 5.792 1.00 0.00 N ATOM 780 CA PHE A 53 8.963 4.034 4.777 1.00 0.00 C ATOM 781 C PHE A 53 10.301 3.654 5.414 1.00 0.00 C ATOM 782 O PHE A 53 10.661 4.175 6.469 1.00 0.00 O ATOM 783 CB PHE A 53 9.158 5.288 3.922 1.00 0.00 C ATOM 784 CG PHE A 53 7.876 5.792 3.256 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.211 5.000 2.372 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.400 7.032 3.548 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.021 5.468 1.755 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.210 7.500 2.931 1.00 0.00 C ATOM 789 CZ PHE A 53 5.546 6.708 2.047 1.00 0.00 C ATOM 0 H PHE A 53 8.095 5.279 6.221 1.00 0.00 H new ATOM 0 HA PHE A 53 8.619 3.186 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.567 6.082 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.898 5.077 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.588 4.015 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.928 7.661 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.493 4.839 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.832 8.485 3.164 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.641 7.064 1.577 1.00 0.00 H new ATOM 799 N THR A 54 11.002 2.748 4.747 1.00 0.00 N ATOM 800 CA THR A 54 12.292 2.291 5.235 1.00 0.00 C ATOM 801 C THR A 54 13.343 2.381 4.128 1.00 0.00 C ATOM 802 O THR A 54 13.126 3.042 3.113 1.00 0.00 O ATOM 803 CB THR A 54 12.114 0.877 5.791 1.00 0.00 C ATOM 804 OG1 THR A 54 11.475 0.167 4.734 1.00 0.00 O ATOM 805 CG2 THR A 54 11.105 0.822 6.940 1.00 0.00 C ATOM 0 H THR A 54 10.700 2.318 3.872 1.00 0.00 H new ATOM 0 HA THR A 54 12.658 2.928 6.040 1.00 0.00 H new ATOM 0 HB THR A 54 13.076 0.498 6.135 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.502 0.705 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.016 -0.204 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.445 1.462 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.133 1.169 6.588 1.00 0.00 H new ATOM 813 N GLU A 55 14.460 1.707 4.360 1.00 0.00 N ATOM 814 CA GLU A 55 15.546 1.702 3.394 1.00 0.00 C ATOM 815 C GLU A 55 15.231 0.741 2.246 1.00 0.00 C ATOM 816 O GLU A 55 15.513 1.040 1.086 1.00 0.00 O ATOM 817 CB GLU A 55 16.873 1.341 4.063 1.00 0.00 C ATOM 818 CG GLU A 55 17.164 -0.156 3.932 1.00 0.00 C ATOM 819 CD GLU A 55 18.301 -0.577 4.865 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.329 0.133 4.864 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.116 -1.601 5.559 1.00 0.00 O ATOM 0 H GLU A 55 14.637 1.160 5.203 1.00 0.00 H new ATOM 0 HA GLU A 55 15.646 2.707 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.681 1.913 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.840 1.618 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.266 -0.727 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.429 -0.390 2.901 1.00 0.00 H new ATOM 828 N ARG A 56 14.650 -0.394 2.609 1.00 0.00 N ATOM 829 CA ARG A 56 14.294 -1.400 1.623 1.00 0.00 C ATOM 830 C ARG A 56 12.955 -2.046 1.985 1.00 0.00 C ATOM 831 O ARG A 56 12.883 -3.256 2.197 1.00 0.00 O ATOM 832 CB ARG A 56 15.368 -2.486 1.532 1.00 0.00 C ATOM 833 CG ARG A 56 16.708 -1.897 1.085 1.00 0.00 C ATOM 834 CD ARG A 56 17.055 -2.341 -0.337 1.00 0.00 C ATOM 835 NE ARG A 56 18.214 -3.261 -0.311 1.00 0.00 N ATOM 836 CZ ARG A 56 18.114 -4.592 -0.193 1.00 0.00 C ATOM 837 NH1 ARG A 56 16.909 -5.167 -0.089 1.00 0.00 N ATOM 838 NH2 ARG A 56 19.221 -5.348 -0.179 1.00 0.00 N ATOM 0 H ARG A 56 14.417 -0.639 3.572 1.00 0.00 H new ATOM 0 HA ARG A 56 14.213 -0.903 0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.485 -2.969 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.053 -3.256 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.664 -0.809 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.495 -2.212 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 56 16.197 -2.836 -0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.284 -1.471 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 56 19.147 -2.857 -0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.067 -4.592 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.833 -6.180 0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 56 20.139 -4.910 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.146 -6.361 -0.089 1.00 0.00 H new ATOM 852 N SER A 57 11.928 -1.211 2.044 1.00 0.00 N ATOM 853 CA SER A 57 10.596 -1.686 2.376 1.00 0.00 C ATOM 854 C SER A 57 9.686 -0.501 2.709 1.00 0.00 C ATOM 855 O SER A 57 10.151 0.633 2.811 1.00 0.00 O ATOM 856 CB SER A 57 10.637 -2.669 3.547 1.00 0.00 C ATOM 857 OG SER A 57 11.538 -2.246 4.567 1.00 0.00 O ATOM 0 H SER A 57 11.992 -0.208 1.867 1.00 0.00 H new ATOM 0 HA SER A 57 10.195 -2.212 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.637 -2.774 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.935 -3.653 3.185 1.00 0.00 H new ATOM 0 HG SER A 57 11.482 -1.273 4.670 1.00 0.00 H new ATOM 863 N PHE A 58 8.407 -0.805 2.868 1.00 0.00 N ATOM 864 CA PHE A 58 7.428 0.220 3.187 1.00 0.00 C ATOM 865 C PHE A 58 6.103 -0.405 3.627 1.00 0.00 C ATOM 866 O PHE A 58 5.553 -1.258 2.932 1.00 0.00 O ATOM 867 CB PHE A 58 7.197 1.031 1.911 1.00 0.00 C ATOM 868 CG PHE A 58 5.964 0.600 1.114 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.720 0.802 1.625 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.112 0.015 -0.105 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.575 0.402 0.886 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.967 -0.385 -0.844 1.00 0.00 C ATOM 873 CZ PHE A 58 3.723 -0.183 -0.333 1.00 0.00 C ATOM 0 H PHE A 58 8.025 -1.747 2.782 1.00 0.00 H new ATOM 0 HA PHE A 58 7.794 0.842 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.096 2.084 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.077 0.945 1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.603 1.267 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.100 -0.145 -0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.587 0.562 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.084 -0.850 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.852 -0.487 -0.895 1.00 0.00 H new ATOM 883 N ASP A 59 5.627 0.044 4.779 1.00 0.00 N ATOM 884 CA ASP A 59 4.376 -0.460 5.320 1.00 0.00 C ATOM 885 C ASP A 59 3.291 0.607 5.165 1.00 0.00 C ATOM 886 O ASP A 59 3.547 1.792 5.372 1.00 0.00 O ATOM 887 CB ASP A 59 4.511 -0.785 6.809 1.00 0.00 C ATOM 888 CG ASP A 59 5.164 0.311 7.653 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.362 0.573 7.415 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.450 0.863 8.518 1.00 0.00 O ATOM 0 H ASP A 59 6.085 0.752 5.353 1.00 0.00 H new ATOM 0 HA ASP A 59 4.115 -1.367 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.519 -0.991 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.094 -1.700 6.914 1.00 0.00 H new ATOM 895 N LEU A 60 2.102 0.148 4.803 1.00 0.00 N ATOM 896 CA LEU A 60 0.977 1.049 4.618 1.00 0.00 C ATOM 897 C LEU A 60 -0.269 0.442 5.266 1.00 0.00 C ATOM 898 O LEU A 60 -0.768 -0.588 4.815 1.00 0.00 O ATOM 899 CB LEU A 60 0.797 1.385 3.136 1.00 0.00 C ATOM 900 CG LEU A 60 -0.206 2.494 2.816 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.953 2.200 1.514 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.164 2.721 3.987 1.00 0.00 C ATOM 0 H LEU A 60 1.893 -0.836 4.633 1.00 0.00 H new ATOM 0 HA LEU A 60 1.165 2.000 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.767 1.671 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.486 0.480 2.614 1.00 0.00 H new ATOM 0 HG LEU A 60 0.347 3.421 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.660 3.004 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.239 2.128 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.493 1.258 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.867 3.515 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.713 1.802 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.596 3.009 4.872 1.00 0.00 H new ATOM 914 N LEU A 61 -0.735 1.106 6.314 1.00 0.00 N ATOM 915 CA LEU A 61 -1.913 0.644 7.029 1.00 0.00 C ATOM 916 C LEU A 61 -3.110 1.518 6.648 1.00 0.00 C ATOM 917 O LEU A 61 -2.949 2.700 6.348 1.00 0.00 O ATOM 918 CB LEU A 61 -1.641 0.595 8.534 1.00 0.00 C ATOM 919 CG LEU A 61 -2.868 0.425 9.431 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.721 1.695 9.441 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.679 -0.807 9.024 1.00 0.00 C ATOM 0 H LEU A 61 -0.318 1.960 6.685 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.159 -0.378 6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.954 -0.227 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.130 1.514 8.821 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.524 0.261 10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.587 1.547 10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.128 2.529 9.816 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.057 1.915 8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.546 -0.904 9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.013 -0.698 7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.057 -1.698 9.112 1.00 0.00 H new ATOM 933 N VAL A 62 -4.283 0.902 6.673 1.00 0.00 N ATOM 934 CA VAL A 62 -5.506 1.609 6.334 1.00 0.00 C ATOM 935 C VAL A 62 -6.662 1.046 7.164 1.00 0.00 C ATOM 936 O VAL A 62 -7.064 -0.101 6.975 1.00 0.00 O ATOM 937 CB VAL A 62 -5.757 1.527 4.827 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.094 2.174 4.458 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.606 2.163 4.044 1.00 0.00 C ATOM 0 H VAL A 62 -4.412 -0.079 6.923 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.416 2.667 6.578 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.807 0.473 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.248 2.102 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.903 1.658 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.085 3.223 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.809 2.091 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.510 3.212 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.678 1.640 4.272 1.00 0.00 H new ATOM 949 N LYS A 63 -7.162 1.879 8.064 1.00 0.00 N ATOM 950 CA LYS A 63 -8.264 1.479 8.923 1.00 0.00 C ATOM 951 C LYS A 63 -9.520 2.260 8.532 1.00 0.00 C ATOM 952 O LYS A 63 -9.442 3.236 7.787 1.00 0.00 O ATOM 953 CB LYS A 63 -7.877 1.632 10.396 1.00 0.00 C ATOM 954 CG LYS A 63 -7.735 0.266 11.070 1.00 0.00 C ATOM 955 CD LYS A 63 -6.332 0.087 11.655 1.00 0.00 C ATOM 956 CE LYS A 63 -5.876 1.353 12.383 1.00 0.00 C ATOM 957 NZ LYS A 63 -4.951 1.011 13.486 1.00 0.00 N ATOM 0 H LYS A 63 -6.825 2.829 8.217 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.491 0.422 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.938 2.179 10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.633 2.221 10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.478 0.168 11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.934 -0.524 10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.327 -0.756 12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.629 -0.151 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.382 2.025 11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.742 1.884 12.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.651 1.881 13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.434 0.387 14.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.117 0.524 13.101 1.00 0.00 H new ATOM 971 N ASN A 64 -10.649 1.801 9.053 1.00 0.00 N ATOM 972 CA ASN A 64 -11.920 2.445 8.767 1.00 0.00 C ATOM 973 C ASN A 64 -11.948 2.882 7.301 1.00 0.00 C ATOM 974 O ASN A 64 -11.541 3.996 6.974 1.00 0.00 O ATOM 975 CB ASN A 64 -12.114 3.690 9.635 1.00 0.00 C ATOM 976 CG ASN A 64 -13.495 3.689 10.294 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.226 2.713 10.261 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.809 4.834 10.893 1.00 0.00 N ATOM 0 H ASN A 64 -10.710 0.992 9.671 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.715 1.730 8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.341 3.727 10.402 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.999 4.585 9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.709 4.934 11.363 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.150 5.612 10.883 1.00 0.00 H new ATOM 985 N LEU A 65 -12.431 1.982 6.458 1.00 0.00 N ATOM 986 CA LEU A 65 -12.517 2.261 5.034 1.00 0.00 C ATOM 987 C LEU A 65 -13.952 2.024 4.559 1.00 0.00 C ATOM 988 O LEU A 65 -14.901 2.518 5.167 1.00 0.00 O ATOM 989 CB LEU A 65 -11.473 1.449 4.265 1.00 0.00 C ATOM 990 CG LEU A 65 -11.146 1.942 2.855 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.849 3.269 2.561 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.633 2.036 2.644 1.00 0.00 C ATOM 0 H LEU A 65 -12.767 1.059 6.733 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.283 3.307 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.551 1.436 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.821 0.418 4.196 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.526 1.211 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.599 3.597 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.928 3.135 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.521 4.021 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.428 2.389 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.208 2.734 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.184 1.052 2.783 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.066 1.270 3.475 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.369 0.963 2.911 1.00 0.00 C ATOM 1006 C ASN A 66 -16.050 -0.110 3.765 1.00 0.00 C ATOM 1007 O ASN A 66 -16.164 -1.261 3.346 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.239 0.421 1.486 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.417 0.870 0.619 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.325 0.112 0.321 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.351 2.140 0.232 1.00 0.00 N ATOM 0 H ASN A 66 -13.277 0.863 2.973 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.954 1.882 2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.305 0.769 1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.195 -0.668 1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.089 2.535 -0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.562 2.720 0.518 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.484 0.306 4.945 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.150 -0.604 5.861 1.00 0.00 C ATOM 1020 C GLY A 67 -16.195 -1.703 6.333 1.00 0.00 C ATOM 1021 O GLY A 67 -16.633 -2.752 6.802 1.00 0.00 O ATOM 0 H GLY A 67 -16.387 1.262 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.526 -0.050 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.013 -1.053 5.370 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.907 -1.423 6.193 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.887 -2.375 6.599 1.00 0.00 C ATOM 1027 C LYS A 68 -12.526 -1.675 6.630 1.00 0.00 C ATOM 1028 O LYS A 68 -12.440 -0.469 6.404 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.921 -3.613 5.702 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.491 -3.275 4.322 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.796 -4.088 3.228 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.949 -5.589 3.480 1.00 0.00 C ATOM 1033 NZ LYS A 68 -14.950 -6.170 2.556 1.00 0.00 N ATOM 0 H LYS A 68 -14.547 -0.551 5.804 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.084 -2.736 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.914 -4.016 5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.527 -4.389 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.562 -3.479 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.366 -2.210 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.219 -3.834 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.738 -3.827 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.989 -6.086 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.255 -5.761 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.042 -7.189 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.869 -5.707 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.643 -6.022 1.574 1.00 0.00 H new ATOM 1047 N SER A 69 -11.498 -2.462 6.911 1.00 0.00 N ATOM 1048 CA SER A 69 -10.146 -1.932 6.974 1.00 0.00 C ATOM 1049 C SER A 69 -9.228 -2.732 6.048 1.00 0.00 C ATOM 1050 O SER A 69 -9.465 -3.914 5.802 1.00 0.00 O ATOM 1051 CB SER A 69 -9.610 -1.960 8.407 1.00 0.00 C ATOM 1052 OG SER A 69 -10.415 -1.188 9.293 1.00 0.00 O ATOM 0 H SER A 69 -11.574 -3.462 7.098 1.00 0.00 H new ATOM 0 HA SER A 69 -10.169 -0.893 6.644 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.570 -2.991 8.759 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.589 -1.579 8.420 1.00 0.00 H new ATOM 0 HG SER A 69 -10.041 -1.233 10.198 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.199 -2.056 5.560 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.243 -2.688 4.666 1.00 0.00 C ATOM 1060 C TYR A 70 -5.807 -2.428 5.125 1.00 0.00 C ATOM 1061 O TYR A 70 -5.515 -1.378 5.695 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.454 -2.040 3.296 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.830 -2.308 2.686 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.959 -1.762 3.262 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.944 -3.096 1.558 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.255 -2.015 2.687 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.239 -3.349 0.983 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.331 -2.795 1.576 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.555 -3.034 1.033 1.00 0.00 O ATOM 0 H TYR A 70 -8.006 -1.076 5.767 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.393 -3.767 4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.313 -0.963 3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.688 -2.404 2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.871 -1.145 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.061 -3.523 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.146 -1.595 3.128 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.341 -3.964 0.101 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.456 -3.606 0.243 1.00 0.00 H new ATOM 1079 N SER A 71 -4.949 -3.402 4.860 1.00 0.00 N ATOM 1080 CA SER A 71 -3.551 -3.291 5.239 1.00 0.00 C ATOM 1081 C SER A 71 -2.657 -3.704 4.068 1.00 0.00 C ATOM 1082 O SER A 71 -2.974 -4.645 3.342 1.00 0.00 O ATOM 1083 CB SER A 71 -3.244 -4.148 6.469 1.00 0.00 C ATOM 1084 OG SER A 71 -3.587 -5.516 6.265 1.00 0.00 O ATOM 0 H SER A 71 -5.195 -4.272 4.387 1.00 0.00 H new ATOM 0 HA SER A 71 -3.347 -2.251 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.183 -4.072 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.793 -3.761 7.327 1.00 0.00 H new ATOM 0 HG SER A 71 -4.430 -5.571 5.768 1.00 0.00 H new ATOM 1090 N MET A 72 -1.557 -2.980 3.921 1.00 0.00 N ATOM 1091 CA MET A 72 -0.615 -3.260 2.850 1.00 0.00 C ATOM 1092 C MET A 72 0.815 -2.922 3.276 1.00 0.00 C ATOM 1093 O MET A 72 1.118 -1.771 3.589 1.00 0.00 O ATOM 1094 CB MET A 72 -0.988 -2.438 1.615 1.00 0.00 C ATOM 1095 CG MET A 72 0.181 -2.368 0.630 1.00 0.00 C ATOM 1096 SD MET A 72 -0.419 -1.960 -1.001 1.00 0.00 S ATOM 1097 CE MET A 72 0.141 -3.394 -1.905 1.00 0.00 C ATOM 0 H MET A 72 -1.297 -2.200 4.525 1.00 0.00 H new ATOM 0 HA MET A 72 -0.663 -4.324 2.617 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.854 -2.883 1.126 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.275 -1.431 1.917 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.901 -1.619 0.960 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.704 -3.324 0.605 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.529 -3.084 -2.875 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.929 -3.894 -1.342 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.693 -4.081 -2.051 1.00 0.00 H new ATOM 1107 N ILE A 73 1.656 -3.945 3.274 1.00 0.00 N ATOM 1108 CA ILE A 73 3.047 -3.771 3.657 1.00 0.00 C ATOM 1109 C ILE A 73 3.941 -4.528 2.672 1.00 0.00 C ATOM 1110 O ILE A 73 3.569 -5.595 2.185 1.00 0.00 O ATOM 1111 CB ILE A 73 3.257 -4.179 5.116 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.497 -3.246 6.061 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.746 -4.252 5.457 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.962 -3.432 7.507 1.00 0.00 C ATOM 0 H ILE A 73 1.401 -4.898 3.013 1.00 0.00 H new ATOM 0 HA ILE A 73 3.328 -2.719 3.601 1.00 0.00 H new ATOM 0 HB ILE A 73 2.847 -5.180 5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.650 -2.211 5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.427 -3.444 5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.866 -4.544 6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.230 -4.988 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.204 -3.276 5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.406 -2.757 8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.785 -4.462 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.027 -3.209 7.578 1.00 0.00 H new ATOM 1126 N VAL A 74 5.102 -3.947 2.409 1.00 0.00 N ATOM 1127 CA VAL A 74 6.052 -4.554 1.492 1.00 0.00 C ATOM 1128 C VAL A 74 7.420 -4.648 2.170 1.00 0.00 C ATOM 1129 O VAL A 74 7.982 -3.636 2.586 1.00 0.00 O ATOM 1130 CB VAL A 74 6.088 -3.767 0.180 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.756 -3.056 -0.069 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.250 -2.772 0.169 1.00 0.00 C ATOM 0 H VAL A 74 5.407 -3.062 2.815 1.00 0.00 H new ATOM 0 HA VAL A 74 5.744 -5.569 1.239 1.00 0.00 H new ATOM 0 HB VAL A 74 6.247 -4.477 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.808 -2.504 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.955 -3.793 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.555 -2.364 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.253 -2.226 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.135 -2.070 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.191 -3.311 0.279 1.00 0.00 H new ATOM 1142 N ASN A 75 7.917 -5.873 2.260 1.00 0.00 N ATOM 1143 CA ASN A 75 9.208 -6.114 2.880 1.00 0.00 C ATOM 1144 C ASN A 75 10.168 -6.695 1.840 1.00 0.00 C ATOM 1145 O ASN A 75 9.838 -7.663 1.157 1.00 0.00 O ATOM 1146 CB ASN A 75 9.090 -7.118 4.028 1.00 0.00 C ATOM 1147 CG ASN A 75 8.650 -6.426 5.319 1.00 0.00 C ATOM 1148 OD1 ASN A 75 9.297 -5.521 5.821 1.00 0.00 O ATOM 1149 ND2 ASN A 75 7.516 -6.899 5.828 1.00 0.00 N ATOM 0 H ASN A 75 7.448 -6.710 1.913 1.00 0.00 H new ATOM 0 HA ASN A 75 9.577 -5.165 3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.372 -7.894 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.049 -7.611 4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.139 -6.502 6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.024 -7.658 5.358 1.00 0.00 H new ATOM 1156 N ASN A 76 11.338 -6.079 1.752 1.00 0.00 N ATOM 1157 CA ASN A 76 12.349 -6.524 0.807 1.00 0.00 C ATOM 1158 C ASN A 76 12.042 -5.939 -0.573 1.00 0.00 C ATOM 1159 O ASN A 76 11.277 -6.521 -1.341 1.00 0.00 O ATOM 1160 CB ASN A 76 12.355 -8.049 0.684 1.00 0.00 C ATOM 1161 CG ASN A 76 12.099 -8.709 2.040 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.645 -8.324 3.061 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.239 -9.723 1.994 1.00 0.00 N ATOM 0 H ASN A 76 11.609 -5.276 2.319 1.00 0.00 H new ATOM 0 HA ASN A 76 13.321 -6.188 1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.591 -8.363 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.315 -8.382 0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.001 -10.229 2.847 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.817 -9.994 1.106 1.00 0.00 H new ATOM 1170 N LEU A 77 12.654 -4.797 -0.846 1.00 0.00 N ATOM 1171 CA LEU A 77 12.456 -4.127 -2.120 1.00 0.00 C ATOM 1172 C LEU A 77 13.690 -4.338 -3.000 1.00 0.00 C ATOM 1173 O LEU A 77 14.820 -4.203 -2.532 1.00 0.00 O ATOM 1174 CB LEU A 77 12.100 -2.655 -1.903 1.00 0.00 C ATOM 1175 CG LEU A 77 10.823 -2.385 -1.106 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.773 -0.934 -0.624 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.581 -2.762 -1.916 1.00 0.00 C ATOM 0 H LEU A 77 13.288 -4.318 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 77 11.608 -4.561 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.933 -2.172 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.004 -2.177 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 77 10.834 -3.019 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.855 -0.769 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.633 -0.733 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.796 -0.264 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.687 -2.560 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.552 -2.173 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.618 -3.822 -2.167 1.00 0.00 H new ATOM 1189 N LEU A 78 13.433 -4.666 -4.257 1.00 0.00 N ATOM 1190 CA LEU A 78 14.509 -4.897 -5.206 1.00 0.00 C ATOM 1191 C LEU A 78 15.627 -3.882 -4.959 1.00 0.00 C ATOM 1192 O LEU A 78 16.798 -4.250 -4.884 1.00 0.00 O ATOM 1193 CB LEU A 78 13.972 -4.884 -6.639 1.00 0.00 C ATOM 1194 CG LEU A 78 14.761 -5.708 -7.658 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.632 -7.205 -7.371 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.340 -5.360 -9.087 1.00 0.00 C ATOM 0 H LEU A 78 12.495 -4.777 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 78 14.939 -5.888 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.945 -5.248 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.939 -3.851 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 78 15.816 -5.452 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.202 -7.768 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.019 -7.419 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.583 -7.496 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.916 -5.959 -9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.278 -5.570 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.526 -4.302 -9.274 1.00 0.00 H new ATOM 1208 N LYS A 79 15.226 -2.625 -4.839 1.00 0.00 N ATOM 1209 CA LYS A 79 16.180 -1.555 -4.602 1.00 0.00 C ATOM 1210 C LYS A 79 15.773 -0.784 -3.345 1.00 0.00 C ATOM 1211 O LYS A 79 14.614 -0.826 -2.935 1.00 0.00 O ATOM 1212 CB LYS A 79 16.317 -0.674 -5.846 1.00 0.00 C ATOM 1213 CG LYS A 79 16.511 -1.526 -7.102 1.00 0.00 C ATOM 1214 CD LYS A 79 17.993 -1.634 -7.468 1.00 0.00 C ATOM 1215 CE LYS A 79 18.246 -2.835 -8.382 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.680 -3.202 -8.371 1.00 0.00 N ATOM 0 H LYS A 79 14.254 -2.324 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 79 17.173 -1.964 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.427 -0.054 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.164 0.002 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.100 -2.522 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.959 -1.087 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.316 -0.719 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.589 -1.731 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.645 -3.683 -8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.933 -2.598 -9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.834 -4.019 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.247 -2.397 -8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.968 -3.448 -7.402 1.00 0.00 H new ATOM 1230 N PRO A 80 16.774 -0.079 -2.754 1.00 0.00 N ATOM 1231 CA PRO A 80 16.531 0.701 -1.552 1.00 0.00 C ATOM 1232 C PRO A 80 15.771 1.988 -1.877 1.00 0.00 C ATOM 1233 O PRO A 80 15.665 2.374 -3.040 1.00 0.00 O ATOM 1234 CB PRO A 80 17.910 0.958 -0.965 1.00 0.00 C ATOM 1235 CG PRO A 80 18.896 0.716 -2.096 1.00 0.00 C ATOM 1236 CD PRO A 80 18.158 -0.005 -3.212 1.00 0.00 C ATOM 0 HA PRO A 80 15.897 0.181 -0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 80 17.990 1.978 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.107 0.292 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.303 1.661 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.738 0.118 -1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.235 0.539 -4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.572 -0.999 -3.383 1.00 0.00 H new ATOM 1244 N ILE A 81 15.260 2.617 -0.828 1.00 0.00 N ATOM 1245 CA ILE A 81 14.512 3.852 -0.988 1.00 0.00 C ATOM 1246 C ILE A 81 14.749 4.747 0.231 1.00 0.00 C ATOM 1247 O ILE A 81 14.777 4.266 1.362 1.00 0.00 O ATOM 1248 CB ILE A 81 13.036 3.554 -1.255 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.478 2.574 -0.220 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.827 3.056 -2.686 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.457 3.260 0.690 1.00 0.00 C ATOM 0 H ILE A 81 15.350 2.294 0.135 1.00 0.00 H new ATOM 0 HA ILE A 81 14.864 4.401 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 81 12.476 4.484 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.009 1.731 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.293 2.171 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.769 2.852 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.162 3.819 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.401 2.142 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.076 2.542 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.935 4.087 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.631 3.640 0.089 1.00 0.00 H new ATOM 1263 N SER A 82 14.912 6.033 -0.043 1.00 0.00 N ATOM 1264 CA SER A 82 15.145 7.000 1.017 1.00 0.00 C ATOM 1265 C SER A 82 13.878 7.170 1.858 1.00 0.00 C ATOM 1266 O SER A 82 12.789 7.355 1.316 1.00 0.00 O ATOM 1267 CB SER A 82 15.587 8.348 0.445 1.00 0.00 C ATOM 1268 OG SER A 82 16.804 8.803 1.031 1.00 0.00 O ATOM 0 H SER A 82 14.887 6.428 -0.983 1.00 0.00 H new ATOM 0 HA SER A 82 15.947 6.625 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.715 8.260 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.804 9.088 0.614 1.00 0.00 H new ATOM 0 HG SER A 82 17.054 9.666 0.638 1.00 0.00 H new ATOM 1274 N VAL A 83 14.062 7.100 3.168 1.00 0.00 N ATOM 1275 CA VAL A 83 12.947 7.244 4.089 1.00 0.00 C ATOM 1276 C VAL A 83 12.566 8.722 4.196 1.00 0.00 C ATOM 1277 O VAL A 83 11.487 9.121 3.761 1.00 0.00 O ATOM 1278 CB VAL A 83 13.301 6.619 5.440 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.280 7.012 6.510 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.418 5.098 5.327 1.00 0.00 C ATOM 0 H VAL A 83 14.966 6.945 3.614 1.00 0.00 H new ATOM 0 HA VAL A 83 12.073 6.709 3.717 1.00 0.00 H new ATOM 0 HB VAL A 83 14.273 7.008 5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.555 6.555 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.267 8.096 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.290 6.665 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.670 4.679 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.468 4.684 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.199 4.845 4.610 1.00 0.00 H new ATOM 1290 N GLU A 84 13.474 9.493 4.776 1.00 0.00 N ATOM 1291 CA GLU A 84 13.246 10.919 4.945 1.00 0.00 C ATOM 1292 C GLU A 84 12.813 11.548 3.619 1.00 0.00 C ATOM 1293 O GLU A 84 12.195 12.611 3.605 1.00 0.00 O ATOM 1294 CB GLU A 84 14.493 11.611 5.499 1.00 0.00 C ATOM 1295 CG GLU A 84 14.632 11.368 7.003 1.00 0.00 C ATOM 1296 CD GLU A 84 14.833 12.685 7.756 1.00 0.00 C ATOM 1297 OE1 GLU A 84 13.969 13.572 7.586 1.00 0.00 O ATOM 1298 OE2 GLU A 84 15.845 12.775 8.483 1.00 0.00 O ATOM 0 H GLU A 84 14.368 9.158 5.135 1.00 0.00 H new ATOM 0 HA GLU A 84 12.443 11.056 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.379 11.240 4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.436 12.682 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.741 10.864 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.476 10.705 7.191 1.00 0.00 H new ATOM 1305 N GLY A 85 13.156 10.865 2.537 1.00 0.00 N ATOM 1306 CA GLY A 85 12.810 11.343 1.209 1.00 0.00 C ATOM 1307 C GLY A 85 11.479 10.751 0.742 1.00 0.00 C ATOM 1308 O GLY A 85 10.742 11.387 -0.010 1.00 0.00 O ATOM 0 H GLY A 85 13.670 9.984 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.746 12.431 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.598 11.075 0.505 1.00 0.00 H new ATOM 1312 N SER A 86 11.211 9.540 1.207 1.00 0.00 N ATOM 1313 CA SER A 86 9.982 8.855 0.846 1.00 0.00 C ATOM 1314 C SER A 86 8.773 9.673 1.305 1.00 0.00 C ATOM 1315 O SER A 86 8.886 10.502 2.206 1.00 0.00 O ATOM 1316 CB SER A 86 9.934 7.451 1.454 1.00 0.00 C ATOM 1317 OG SER A 86 10.644 6.503 0.663 1.00 0.00 O ATOM 0 H SER A 86 11.824 9.015 1.831 1.00 0.00 H new ATOM 0 HA SER A 86 9.954 8.753 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.358 7.476 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.896 7.135 1.554 1.00 0.00 H new ATOM 0 HG SER A 86 11.568 6.806 0.540 1.00 0.00 H new ATOM 1323 N SER A 87 7.644 9.411 0.663 1.00 0.00 N ATOM 1324 CA SER A 87 6.415 10.113 0.994 1.00 0.00 C ATOM 1325 C SER A 87 5.205 9.241 0.649 1.00 0.00 C ATOM 1326 O SER A 87 5.324 8.283 -0.113 1.00 0.00 O ATOM 1327 CB SER A 87 6.331 11.452 0.259 1.00 0.00 C ATOM 1328 OG SER A 87 7.611 12.060 0.111 1.00 0.00 O ATOM 0 H SER A 87 7.554 8.723 -0.084 1.00 0.00 H new ATOM 0 HA SER A 87 6.415 10.316 2.065 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.886 11.299 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.671 12.125 0.806 1.00 0.00 H new ATOM 0 HG SER A 87 7.516 12.912 -0.364 1.00 0.00 H new ATOM 1334 N LYS A 88 4.070 9.605 1.226 1.00 0.00 N ATOM 1335 CA LYS A 88 2.840 8.869 0.989 1.00 0.00 C ATOM 1336 C LYS A 88 1.759 9.834 0.500 1.00 0.00 C ATOM 1337 O LYS A 88 1.627 10.940 1.021 1.00 0.00 O ATOM 1338 CB LYS A 88 2.440 8.079 2.237 1.00 0.00 C ATOM 1339 CG LYS A 88 1.442 8.867 3.088 1.00 0.00 C ATOM 1340 CD LYS A 88 0.046 8.838 2.464 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.920 8.016 3.321 1.00 0.00 C ATOM 1342 NZ LYS A 88 -1.931 8.895 3.950 1.00 0.00 N ATOM 0 H LYS A 88 3.976 10.400 1.858 1.00 0.00 H new ATOM 0 HA LYS A 88 2.985 8.128 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.000 7.126 1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.327 7.852 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.404 8.446 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.778 9.899 3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.331 9.855 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.100 8.413 1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.415 7.266 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.366 7.480 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.167 8.531 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.548 9.858 4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.789 8.914 3.362 1.00 0.00 H new ATOM 1356 N LYS A 89 1.013 9.381 -0.497 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.053 10.191 -1.063 1.00 0.00 C ATOM 1358 C LYS A 89 -1.306 9.330 -1.232 1.00 0.00 C ATOM 1359 O LYS A 89 -1.228 8.103 -1.216 1.00 0.00 O ATOM 1360 CB LYS A 89 0.413 10.860 -2.358 1.00 0.00 C ATOM 1361 CG LYS A 89 1.066 12.213 -2.071 1.00 0.00 C ATOM 1362 CD LYS A 89 0.503 13.299 -2.991 1.00 0.00 C ATOM 1363 CE LYS A 89 0.906 13.049 -4.445 1.00 0.00 C ATOM 1364 NZ LYS A 89 -0.004 13.766 -5.366 1.00 0.00 N ATOM 0 H LYS A 89 1.126 8.463 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.314 11.005 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.122 10.211 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.436 10.997 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.897 12.489 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.145 12.137 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.584 13.322 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.867 14.276 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.932 13.381 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.880 11.980 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.284 13.585 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.978 13.430 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.042 14.787 -5.174 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.434 10.008 -1.389 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.703 9.321 -1.561 1.00 0.00 C ATOM 1380 C VAL A 90 -4.484 9.979 -2.700 1.00 0.00 C ATOM 1381 O VAL A 90 -4.533 11.204 -2.798 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.472 9.307 -0.239 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.939 8.933 -0.463 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.814 8.362 0.769 1.00 0.00 C ATOM 0 H VAL A 90 -2.495 11.026 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.540 8.280 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.442 10.314 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.464 8.930 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.402 9.661 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.997 7.941 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.381 8.371 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.799 7.350 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.793 8.690 0.963 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.075 9.136 -3.534 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.851 9.619 -4.662 1.00 0.00 C ATOM 1396 C LYS A 91 -7.290 9.115 -4.540 1.00 0.00 C ATOM 1397 O LYS A 91 -7.634 8.439 -3.572 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.176 9.237 -5.981 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.100 8.172 -5.757 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.584 7.625 -7.089 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.818 8.699 -7.864 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.201 8.679 -9.293 1.00 0.00 N ATOM 0 H LYS A 91 -5.032 8.120 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.893 10.708 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.923 8.863 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.729 10.122 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.273 8.599 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.509 7.357 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.934 6.769 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.421 7.267 -7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.027 9.681 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.745 8.531 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.672 9.414 -9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.980 7.747 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.221 8.862 -9.382 1.00 0.00 H new ATOM 1416 N THR A 92 -8.093 9.464 -5.535 1.00 0.00 N ATOM 1417 CA THR A 92 -9.487 9.055 -5.550 1.00 0.00 C ATOM 1418 C THR A 92 -9.595 7.529 -5.529 1.00 0.00 C ATOM 1419 O THR A 92 -9.117 6.856 -6.441 1.00 0.00 O ATOM 1420 CB THR A 92 -10.154 9.694 -6.770 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.977 11.094 -6.568 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.672 9.506 -6.773 1.00 0.00 C ATOM 0 H THR A 92 -7.805 10.025 -6.336 1.00 0.00 H new ATOM 0 HA THR A 92 -10.010 9.399 -4.658 1.00 0.00 H new ATOM 0 HB THR A 92 -9.734 9.265 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.379 11.586 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.095 9.978 -7.660 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.907 8.442 -6.781 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.097 9.964 -5.880 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.227 7.027 -4.478 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.404 5.593 -4.326 1.00 0.00 C ATOM 1432 C ASP A 93 -9.087 4.884 -4.647 1.00 0.00 C ATOM 1433 O ASP A 93 -9.088 3.762 -5.152 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.471 5.065 -5.287 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.210 5.355 -6.766 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.329 4.671 -7.332 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -11.896 6.253 -7.298 1.00 0.00 O ATOM 0 H ASP A 93 -10.623 7.588 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.715 5.399 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.557 3.987 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.433 5.498 -5.012 1.00 0.00 H new ATOM 1442 N THR A 94 -7.994 5.567 -4.339 1.00 0.00 N ATOM 1443 CA THR A 94 -6.673 5.016 -4.588 1.00 0.00 C ATOM 1444 C THR A 94 -5.655 5.610 -3.613 1.00 0.00 C ATOM 1445 O THR A 94 -5.750 6.781 -3.247 1.00 0.00 O ATOM 1446 CB THR A 94 -6.325 5.267 -6.057 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.232 4.436 -6.776 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.945 4.724 -6.433 1.00 0.00 C ATOM 0 H THR A 94 -7.996 6.497 -3.919 1.00 0.00 H new ATOM 0 HA THR A 94 -6.654 3.940 -4.414 1.00 0.00 H new ATOM 0 HB THR A 94 -6.362 6.337 -6.260 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.750 3.895 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.748 4.928 -7.485 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.184 5.208 -5.821 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.918 3.648 -6.261 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.704 4.776 -3.219 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.669 5.204 -2.292 1.00 0.00 C ATOM 1458 C VAL A 95 -2.317 5.198 -3.007 1.00 0.00 C ATOM 1459 O VAL A 95 -1.943 4.204 -3.628 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.689 4.322 -1.042 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.543 2.844 -1.411 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.603 4.750 -0.053 1.00 0.00 C ATOM 0 H VAL A 95 -4.628 3.806 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.854 6.224 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.656 4.451 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.560 2.239 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.367 2.548 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.598 2.691 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.638 4.107 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.625 4.663 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.771 5.785 0.246 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.619 6.319 -2.896 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.316 6.455 -3.524 1.00 0.00 C ATOM 1474 C LEU A 96 0.776 6.216 -2.479 1.00 0.00 C ATOM 1475 O LEU A 96 0.614 6.574 -1.314 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.202 7.806 -4.234 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.353 7.778 -5.756 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.130 9.089 -6.379 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.356 6.562 -6.355 1.00 0.00 C ATOM 0 H LEU A 96 -1.932 7.142 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.186 5.701 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.960 8.474 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.768 8.240 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.413 7.681 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.012 9.043 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.458 9.918 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.181 9.242 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.233 6.566 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.417 6.602 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.077 5.650 -5.944 1.00 0.00 H new ATOM 1491 N ILE A 97 1.864 5.612 -2.935 1.00 0.00 N ATOM 1492 CA ILE A 97 2.982 5.320 -2.054 1.00 0.00 C ATOM 1493 C ILE A 97 4.286 5.738 -2.738 1.00 0.00 C ATOM 1494 O ILE A 97 4.900 4.945 -3.449 1.00 0.00 O ATOM 1495 CB ILE A 97 2.957 3.853 -1.624 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.597 3.479 -1.031 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.106 3.543 -0.662 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.383 4.157 0.323 1.00 0.00 C ATOM 0 H ILE A 97 1.995 5.317 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 97 2.903 5.899 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 97 3.104 3.235 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.804 3.773 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.533 2.397 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.065 2.493 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.057 3.746 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.016 4.169 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.409 3.874 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.164 3.842 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.424 5.239 0.199 1.00 0.00 H new ATOM 1510 N LEU A 98 4.670 6.984 -2.498 1.00 0.00 N ATOM 1511 CA LEU A 98 5.889 7.516 -3.081 1.00 0.00 C ATOM 1512 C LEU A 98 7.096 6.979 -2.309 1.00 0.00 C ATOM 1513 O LEU A 98 7.227 7.218 -1.110 1.00 0.00 O ATOM 1514 CB LEU A 98 5.830 9.044 -3.143 1.00 0.00 C ATOM 1515 CG LEU A 98 4.729 9.637 -4.025 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.206 10.950 -3.439 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.212 9.805 -5.467 1.00 0.00 C ATOM 0 H LEU A 98 4.158 7.640 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 98 5.995 7.181 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.701 9.424 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.792 9.411 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 98 3.893 8.937 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.425 11.351 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.797 10.768 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.023 11.668 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.410 10.228 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.073 10.473 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.497 8.834 -5.871 1.00 0.00 H new ATOM 1529 N CYS A 99 7.947 6.262 -3.029 1.00 0.00 N ATOM 1530 CA CYS A 99 9.138 5.689 -2.427 1.00 0.00 C ATOM 1531 C CYS A 99 10.363 6.276 -3.131 1.00 0.00 C ATOM 1532 O CYS A 99 10.617 5.974 -4.296 1.00 0.00 O ATOM 1533 CB CYS A 99 9.123 4.160 -2.488 1.00 0.00 C ATOM 1534 SG CYS A 99 8.033 3.492 -1.178 1.00 0.00 S ATOM 0 H CYS A 99 7.835 6.065 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 99 9.172 5.945 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.774 3.830 -3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.134 3.773 -2.364 1.00 0.00 H new ATOM 0 HG CYS A 99 8.026 2.193 -1.240 1.00 0.00 H new ATOM 1540 N ARG A 100 11.089 7.104 -2.394 1.00 0.00 N ATOM 1541 CA ARG A 100 12.281 7.736 -2.934 1.00 0.00 C ATOM 1542 C ARG A 100 13.284 6.675 -3.392 1.00 0.00 C ATOM 1543 O ARG A 100 13.350 5.590 -2.817 1.00 0.00 O ATOM 1544 CB ARG A 100 12.945 8.639 -1.893 1.00 0.00 C ATOM 1545 CG ARG A 100 12.461 10.084 -2.032 1.00 0.00 C ATOM 1546 CD ARG A 100 12.573 10.562 -3.481 1.00 0.00 C ATOM 1547 NE ARG A 100 11.254 10.477 -4.146 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.229 11.303 -3.891 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.366 12.280 -2.985 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.068 11.151 -4.542 1.00 0.00 N ATOM 0 H ARG A 100 10.875 7.352 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 100 11.976 8.344 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.721 8.271 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.028 8.601 -2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.426 10.158 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.051 10.733 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.937 11.589 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.300 9.953 -4.018 1.00 0.00 H new ATOM 0 HE ARG A 100 11.116 9.744 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.250 12.396 -2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.586 12.908 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.964 10.407 -5.232 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.288 11.779 -4.348 1.00 0.00 H new ATOM 1564 N LYS A 101 14.038 7.026 -4.423 1.00 0.00 N ATOM 1565 CA LYS A 101 15.034 6.117 -4.964 1.00 0.00 C ATOM 1566 C LYS A 101 16.410 6.483 -4.404 1.00 0.00 C ATOM 1567 O LYS A 101 16.773 7.657 -4.357 1.00 0.00 O ATOM 1568 CB LYS A 101 14.976 6.107 -6.493 1.00 0.00 C ATOM 1569 CG LYS A 101 14.193 4.895 -7.004 1.00 0.00 C ATOM 1570 CD LYS A 101 14.492 4.633 -8.482 1.00 0.00 C ATOM 1571 CE LYS A 101 14.260 3.163 -8.836 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.419 3.048 -10.048 1.00 0.00 N ATOM 0 H LYS A 101 13.979 7.927 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 101 14.824 5.094 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.507 7.024 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.987 6.089 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.452 4.015 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.125 5.065 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.857 5.265 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.524 4.905 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.217 2.667 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.777 2.654 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.813 2.207 -9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.824 3.896 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.028 2.960 -10.886 1.00 0.00 H new ATOM 1585 N LYS A 102 17.139 5.455 -3.994 1.00 0.00 N ATOM 1586 CA LYS A 102 18.467 5.653 -3.439 1.00 0.00 C ATOM 1587 C LYS A 102 19.440 6.002 -4.567 1.00 0.00 C ATOM 1588 O LYS A 102 20.469 6.634 -4.332 1.00 0.00 O ATOM 1589 CB LYS A 102 18.892 4.435 -2.616 1.00 0.00 C ATOM 1590 CG LYS A 102 20.088 4.768 -1.722 1.00 0.00 C ATOM 1591 CD LYS A 102 20.231 3.743 -0.595 1.00 0.00 C ATOM 1592 CE LYS A 102 21.704 3.509 -0.251 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.840 2.390 0.708 1.00 0.00 N ATOM 0 H LYS A 102 16.835 4.482 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 102 18.467 6.494 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.057 4.097 -2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.150 3.613 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.999 4.787 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.964 5.765 -1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.698 4.093 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.770 2.802 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.265 3.288 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.133 4.416 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.845 2.244 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.321 2.616 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.449 1.523 0.287 1.00 0.00 H new ATOM 1607 N VAL A 103 19.080 5.576 -5.769 1.00 0.00 N ATOM 1608 CA VAL A 103 19.908 5.835 -6.935 1.00 0.00 C ATOM 1609 C VAL A 103 19.026 5.867 -8.184 1.00 0.00 C ATOM 1610 O VAL A 103 18.383 4.873 -8.521 1.00 0.00 O ATOM 1611 CB VAL A 103 21.030 4.799 -7.020 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.726 3.587 -6.136 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.273 4.373 -8.470 1.00 0.00 C ATOM 0 H VAL A 103 18.226 5.053 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 103 20.390 6.809 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 103 21.944 5.263 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.540 2.866 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.626 3.909 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.796 3.122 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.075 3.636 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.362 3.936 -8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.555 5.243 -9.063 1.00 0.00 H new ATOM 1623 N GLU A 104 19.023 7.019 -8.839 1.00 0.00 N ATOM 1624 CA GLU A 104 18.231 7.193 -10.045 1.00 0.00 C ATOM 1625 C GLU A 104 18.741 6.269 -11.153 1.00 0.00 C ATOM 1626 O GLU A 104 19.741 5.575 -10.976 1.00 0.00 O ATOM 1627 CB GLU A 104 18.241 8.653 -10.501 1.00 0.00 C ATOM 1628 CG GLU A 104 17.840 9.588 -9.357 1.00 0.00 C ATOM 1629 CD GLU A 104 19.069 10.266 -8.748 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.944 9.521 -8.257 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.105 11.515 -8.787 1.00 0.00 O ATOM 0 H GLU A 104 19.557 7.841 -8.557 1.00 0.00 H new ATOM 0 HA GLU A 104 17.199 6.924 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.235 8.918 -10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.554 8.781 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.148 10.345 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.313 9.023 -8.588 1.00 0.00 H new ATOM 1638 N ASN A 105 18.030 6.290 -12.271 1.00 0.00 N ATOM 1639 CA ASN A 105 18.398 5.463 -13.407 1.00 0.00 C ATOM 1640 C ASN A 105 18.526 4.008 -12.953 1.00 0.00 C ATOM 1641 O ASN A 105 19.561 3.377 -13.163 1.00 0.00 O ATOM 1642 CB ASN A 105 19.744 5.897 -13.991 1.00 0.00 C ATOM 1643 CG ASN A 105 19.709 7.366 -14.418 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.983 7.761 -15.315 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.532 8.149 -13.727 1.00 0.00 N ATOM 0 H ASN A 105 17.201 6.867 -12.414 1.00 0.00 H new ATOM 0 HA ASN A 105 17.624 5.570 -14.167 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.530 5.748 -13.251 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.991 5.271 -14.849 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.583 9.146 -13.936 1.00 0.00 H new ATOM 0 HD22 ASN A 105 21.113 7.753 -12.988 1.00 0.00 H new ATOM 1652 N THR A 106 17.459 3.517 -12.339 1.00 0.00 N ATOM 1653 CA THR A 106 17.440 2.147 -11.854 1.00 0.00 C ATOM 1654 C THR A 106 16.090 1.494 -12.156 1.00 0.00 C ATOM 1655 O THR A 106 15.040 2.059 -11.851 1.00 0.00 O ATOM 1656 CB THR A 106 17.784 2.169 -10.363 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.200 2.332 -10.336 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.552 0.816 -9.689 1.00 0.00 C ATOM 0 H THR A 106 16.602 4.043 -12.166 1.00 0.00 H new ATOM 0 HA THR A 106 18.184 1.536 -12.365 1.00 0.00 H new ATOM 0 HB THR A 106 17.185 2.931 -9.863 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.564 1.901 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.811 0.886 -8.633 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.503 0.536 -9.787 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.176 0.060 -10.166 1.00 0.00 H new ATOM 1666 N ARG A 107 16.160 0.313 -12.752 1.00 0.00 N ATOM 1667 CA ARG A 107 14.957 -0.424 -13.098 1.00 0.00 C ATOM 1668 C ARG A 107 14.563 -1.365 -11.958 1.00 0.00 C ATOM 1669 O ARG A 107 15.410 -1.770 -11.163 1.00 0.00 O ATOM 1670 CB ARG A 107 15.160 -1.240 -14.377 1.00 0.00 C ATOM 1671 CG ARG A 107 13.855 -1.352 -15.168 1.00 0.00 C ATOM 1672 CD ARG A 107 13.979 -0.667 -16.530 1.00 0.00 C ATOM 1673 NE ARG A 107 12.709 -0.796 -17.279 1.00 0.00 N ATOM 1674 CZ ARG A 107 12.599 -0.633 -18.605 1.00 0.00 C ATOM 1675 NH1 ARG A 107 13.682 -0.334 -19.335 1.00 0.00 N ATOM 1676 NH2 ARG A 107 11.406 -0.769 -19.200 1.00 0.00 N ATOM 0 H ARG A 107 17.032 -0.152 -13.004 1.00 0.00 H new ATOM 0 HA ARG A 107 14.161 0.301 -13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.925 -0.770 -14.995 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.523 -2.236 -14.124 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.599 -2.402 -15.307 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.042 -0.898 -14.601 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.226 0.386 -16.395 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.793 -1.115 -17.099 1.00 0.00 H new ATOM 0 HE ARG A 107 11.865 -1.023 -16.753 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.590 -0.230 -18.882 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.599 -0.210 -20.344 1.00 0.00 H new ATOM 0 HH21 ARG A 107 10.582 -0.997 -18.644 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.322 -0.645 -20.209 1.00 0.00 H new ATOM 1690 N TRP A 108 13.278 -1.685 -11.914 1.00 0.00 N ATOM 1691 CA TRP A 108 12.762 -2.571 -10.884 1.00 0.00 C ATOM 1692 C TRP A 108 12.063 -3.743 -11.576 1.00 0.00 C ATOM 1693 O TRP A 108 10.901 -3.636 -11.964 1.00 0.00 O ATOM 1694 CB TRP A 108 11.848 -1.814 -9.919 1.00 0.00 C ATOM 1695 CG TRP A 108 12.596 -1.023 -8.844 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.702 -0.281 -8.987 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.244 -0.923 -7.448 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.088 0.287 -7.789 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.173 -0.116 -6.824 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.175 -1.496 -6.736 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.127 0.191 -5.459 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.144 -1.180 -5.373 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.072 -0.369 -4.730 1.00 0.00 C ATOM 0 H TRP A 108 12.579 -1.347 -12.575 1.00 0.00 H new ATOM 0 HA TRP A 108 13.572 -2.963 -10.270 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.222 -1.129 -10.490 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.181 -2.526 -9.433 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.226 -0.144 -9.922 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.896 0.891 -7.640 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.436 -2.130 -7.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.866 0.826 -4.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.343 -1.595 -4.779 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.979 -0.172 -3.672 1.00 0.00 H new ATOM 1714 N ASP A 109 12.801 -4.836 -11.708 1.00 0.00 N ATOM 1715 CA ASP A 109 12.266 -6.027 -12.346 1.00 0.00 C ATOM 1716 C ASP A 109 11.107 -6.571 -11.509 1.00 0.00 C ATOM 1717 O ASP A 109 10.286 -7.341 -12.006 1.00 0.00 O ATOM 1718 CB ASP A 109 13.330 -7.121 -12.448 1.00 0.00 C ATOM 1719 CG ASP A 109 14.185 -7.076 -13.716 1.00 0.00 C ATOM 1720 OD1 ASP A 109 13.831 -6.278 -14.611 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.173 -7.840 -13.763 1.00 0.00 O ATOM 0 H ASP A 109 13.764 -4.922 -11.384 1.00 0.00 H new ATOM 0 HA ASP A 109 11.933 -5.753 -13.347 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.988 -7.049 -11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.837 -8.092 -12.394 1.00 0.00 H new ATOM 1726 N TYR A 110 11.077 -6.150 -10.253 1.00 0.00 N ATOM 1727 CA TYR A 110 10.032 -6.586 -9.342 1.00 0.00 C ATOM 1728 C TYR A 110 9.953 -5.670 -8.120 1.00 0.00 C ATOM 1729 O TYR A 110 10.977 -5.216 -7.612 1.00 0.00 O ATOM 1730 CB TYR A 110 10.429 -7.992 -8.887 1.00 0.00 C ATOM 1731 CG TYR A 110 10.587 -8.995 -10.031 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.471 -9.571 -10.603 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.846 -9.324 -10.491 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.619 -10.516 -11.679 1.00 0.00 C ATOM 1735 CE2 TYR A 110 11.994 -10.268 -11.568 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.874 -10.818 -12.109 1.00 0.00 C ATOM 1737 OH TYR A 110 11.015 -11.710 -13.126 1.00 0.00 O ATOM 0 H TYR A 110 11.760 -5.511 -9.845 1.00 0.00 H new ATOM 0 HA TYR A 110 9.060 -6.565 -9.835 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.368 -7.933 -8.337 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.676 -8.364 -8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.486 -9.313 -10.243 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.720 -8.874 -10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.754 -10.975 -12.134 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.973 -10.534 -11.938 1.00 0.00 H new ATOM 0 HH TYR A 110 11.967 -11.828 -13.328 1.00 0.00 H new ATOM 1747 N LEU A 111 8.726 -5.426 -7.681 1.00 0.00 N ATOM 1748 CA LEU A 111 8.500 -4.572 -6.528 1.00 0.00 C ATOM 1749 C LEU A 111 9.396 -5.031 -5.375 1.00 0.00 C ATOM 1750 O LEU A 111 9.984 -4.208 -4.676 1.00 0.00 O ATOM 1751 CB LEU A 111 7.013 -4.534 -6.172 1.00 0.00 C ATOM 1752 CG LEU A 111 6.473 -3.188 -5.684 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.046 -3.330 -5.153 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.411 -2.565 -4.648 1.00 0.00 C ATOM 0 H LEU A 111 7.879 -5.805 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 111 8.776 -3.543 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.442 -4.835 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.826 -5.280 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 111 6.434 -2.507 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.686 -2.359 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.397 -3.699 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.036 -4.033 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.004 -1.609 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.505 -3.235 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.393 -2.407 -5.095 1.00 0.00 H new ATOM 1766 N THR A 112 9.472 -6.344 -5.214 1.00 0.00 N ATOM 1767 CA THR A 112 10.286 -6.922 -4.159 1.00 0.00 C ATOM 1768 C THR A 112 11.260 -7.950 -4.739 1.00 0.00 C ATOM 1769 O THR A 112 11.199 -8.267 -5.926 1.00 0.00 O ATOM 1770 CB THR A 112 9.346 -7.504 -3.101 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.361 -8.202 -3.859 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.553 -6.424 -2.364 1.00 0.00 C ATOM 0 H THR A 112 8.983 -7.024 -5.797 1.00 0.00 H new ATOM 0 HA THR A 112 10.908 -6.166 -3.680 1.00 0.00 H new ATOM 0 HB THR A 112 9.924 -8.084 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.711 -8.612 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.902 -6.891 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.242 -5.745 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.948 -5.865 -3.078 1.00 0.00 H new ATOM 1780 N GLN A 113 12.135 -8.443 -3.874 1.00 0.00 N ATOM 1781 CA GLN A 113 13.119 -9.429 -4.286 1.00 0.00 C ATOM 1782 C GLN A 113 12.484 -10.819 -4.349 1.00 0.00 C ATOM 1783 O GLN A 113 12.850 -11.635 -5.194 1.00 0.00 O ATOM 1784 CB GLN A 113 14.329 -9.420 -3.349 1.00 0.00 C ATOM 1785 CG GLN A 113 15.183 -8.170 -3.568 1.00 0.00 C ATOM 1786 CD GLN A 113 16.648 -8.438 -3.216 1.00 0.00 C ATOM 1787 OE1 GLN A 113 17.056 -8.388 -2.067 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.413 -8.724 -4.265 1.00 0.00 N ATOM 0 H GLN A 113 12.183 -8.178 -2.890 1.00 0.00 H new ATOM 0 HA GLN A 113 13.471 -9.167 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 113 13.992 -9.457 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 113 14.932 -10.312 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 113 15.108 -7.851 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 113 14.802 -7.353 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 113 17.007 -8.749 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.406 -8.918 -4.134 1.00 0.00 H new ATOM 1797 N VAL A 114 11.544 -11.047 -3.443 1.00 0.00 N ATOM 1798 CA VAL A 114 10.855 -12.325 -3.385 1.00 0.00 C ATOM 1799 C VAL A 114 10.362 -12.698 -4.785 1.00 0.00 C ATOM 1800 O VAL A 114 10.790 -13.703 -5.350 1.00 0.00 O ATOM 1801 CB VAL A 114 9.729 -12.265 -2.351 1.00 0.00 C ATOM 1802 CG1 VAL A 114 8.685 -13.352 -2.615 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.284 -12.372 -0.929 1.00 0.00 C ATOM 0 H VAL A 114 11.244 -10.368 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 114 11.536 -13.112 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 114 9.237 -11.297 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.896 -13.288 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.256 -13.211 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.158 -14.332 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.463 -12.327 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.813 -13.318 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.972 -11.547 -0.744 1.00 0.00 H new ATOM 1813 N GLU A 115 9.470 -11.868 -5.304 1.00 0.00 N ATOM 1814 CA GLU A 115 8.914 -12.098 -6.627 1.00 0.00 C ATOM 1815 C GLU A 115 10.019 -12.505 -7.603 1.00 0.00 C ATOM 1816 O GLU A 115 9.909 -13.525 -8.281 1.00 0.00 O ATOM 1817 CB GLU A 115 8.166 -10.861 -7.130 1.00 0.00 C ATOM 1818 CG GLU A 115 7.216 -11.223 -8.273 1.00 0.00 C ATOM 1819 CD GLU A 115 6.525 -9.975 -8.827 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.351 -9.024 -8.036 1.00 0.00 O ATOM 1821 OE2 GLU A 115 6.186 -10.001 -10.030 1.00 0.00 O ATOM 0 H GLU A 115 9.118 -11.035 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 115 8.195 -12.915 -6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.602 -10.414 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.881 -10.112 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.771 -11.719 -9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.467 -11.931 -7.918 1.00 0.00 H new ATOM 1828 N LYS A 116 11.060 -11.686 -7.644 1.00 0.00 N ATOM 1829 CA LYS A 116 12.184 -11.948 -8.526 1.00 0.00 C ATOM 1830 C LYS A 116 12.574 -13.424 -8.424 1.00 0.00 C ATOM 1831 O LYS A 116 12.481 -14.163 -9.403 1.00 0.00 O ATOM 1832 CB LYS A 116 13.336 -10.986 -8.227 1.00 0.00 C ATOM 1833 CG LYS A 116 14.545 -11.285 -9.116 1.00 0.00 C ATOM 1834 CD LYS A 116 15.625 -10.214 -8.950 1.00 0.00 C ATOM 1835 CE LYS A 116 15.643 -9.262 -10.147 1.00 0.00 C ATOM 1836 NZ LYS A 116 16.855 -9.483 -10.967 1.00 0.00 N ATOM 0 H LYS A 116 11.148 -10.840 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 116 11.905 -11.762 -9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.008 -9.959 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.622 -11.070 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.955 -12.263 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.231 -11.332 -10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.445 -9.650 -8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.600 -10.689 -8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.752 -9.417 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 116 15.616 -8.230 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.851 -8.829 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.702 -9.313 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.865 -10.463 -11.315 1.00 0.00 H new ATOM 1850 N GLU A 117 13.002 -13.809 -7.231 1.00 0.00 N ATOM 1851 CA GLU A 117 13.406 -15.184 -6.988 1.00 0.00 C ATOM 1852 C GLU A 117 12.286 -16.145 -7.392 1.00 0.00 C ATOM 1853 O GLU A 117 12.480 -17.005 -8.249 1.00 0.00 O ATOM 1854 CB GLU A 117 13.803 -15.388 -5.525 1.00 0.00 C ATOM 1855 CG GLU A 117 15.209 -14.847 -5.258 1.00 0.00 C ATOM 1856 CD GLU A 117 16.269 -15.710 -5.945 1.00 0.00 C ATOM 1857 OE1 GLU A 117 16.677 -16.713 -5.319 1.00 0.00 O ATOM 1858 OE2 GLU A 117 16.647 -15.349 -7.080 1.00 0.00 O ATOM 0 H GLU A 117 13.078 -13.193 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 117 14.281 -15.399 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.086 -14.884 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.765 -16.449 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 117 15.282 -13.821 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.395 -14.822 -4.184 1.00 0.00 H new ATOM 1865 N CYS A 118 11.138 -15.966 -6.754 1.00 0.00 N ATOM 1866 CA CYS A 118 9.987 -16.807 -7.036 1.00 0.00 C ATOM 1867 C CYS A 118 9.887 -16.993 -8.552 1.00 0.00 C ATOM 1868 O CYS A 118 9.922 -18.118 -9.046 1.00 0.00 O ATOM 1869 CB CYS A 118 8.701 -16.223 -6.447 1.00 0.00 C ATOM 1870 SG CYS A 118 7.319 -17.401 -6.669 1.00 0.00 S ATOM 0 H CYS A 118 10.981 -15.251 -6.043 1.00 0.00 H new ATOM 0 HA CYS A 118 10.119 -17.778 -6.559 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.841 -16.010 -5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.465 -15.277 -6.934 1.00 0.00 H new ATOM 0 HG CYS A 118 6.233 -16.896 -6.164 1.00 0.00 H new ATOM 1876 N LYS A 119 9.764 -15.871 -9.246 1.00 0.00 N ATOM 1877 CA LYS A 119 9.659 -15.896 -10.695 1.00 0.00 C ATOM 1878 C LYS A 119 10.755 -16.798 -11.266 1.00 0.00 C ATOM 1879 O LYS A 119 10.463 -17.824 -11.878 1.00 0.00 O ATOM 1880 CB LYS A 119 9.677 -14.474 -11.258 1.00 0.00 C ATOM 1881 CG LYS A 119 8.471 -13.672 -10.763 1.00 0.00 C ATOM 1882 CD LYS A 119 7.256 -13.896 -11.666 1.00 0.00 C ATOM 1883 CE LYS A 119 7.563 -13.489 -13.109 1.00 0.00 C ATOM 1884 NZ LYS A 119 6.418 -12.759 -13.696 1.00 0.00 N ATOM 0 H LYS A 119 9.735 -14.939 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 119 8.704 -16.323 -11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.598 -13.973 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.672 -14.510 -12.347 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.229 -13.966 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.720 -12.611 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.964 -14.946 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.410 -13.318 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.454 -12.861 -13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.781 -14.375 -13.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.643 -12.490 -14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.576 -13.370 -13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.229 -11.903 -13.137 1.00 0.00 H new ATOM 1898 N GLU A 120 11.993 -16.382 -11.046 1.00 0.00 N ATOM 1899 CA GLU A 120 13.135 -17.139 -11.531 1.00 0.00 C ATOM 1900 C GLU A 120 13.476 -18.267 -10.556 1.00 0.00 C ATOM 1901 O GLU A 120 14.332 -18.105 -9.688 1.00 0.00 O ATOM 1902 CB GLU A 120 14.341 -16.227 -11.759 1.00 0.00 C ATOM 1903 CG GLU A 120 14.219 -15.476 -13.086 1.00 0.00 C ATOM 1904 CD GLU A 120 14.911 -16.242 -14.215 1.00 0.00 C ATOM 1905 OE1 GLU A 120 16.131 -16.029 -14.381 1.00 0.00 O ATOM 1906 OE2 GLU A 120 14.204 -17.024 -14.887 1.00 0.00 O ATOM 0 H GLU A 120 12.231 -15.530 -10.538 1.00 0.00 H new ATOM 0 HA GLU A 120 12.871 -17.583 -12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.421 -15.513 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.255 -16.820 -11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.167 -15.332 -13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.662 -14.485 -12.989 1.00 0.00 H new ATOM 1913 N LYS A 121 12.789 -19.387 -10.732 1.00 0.00 N ATOM 1914 CA LYS A 121 13.009 -20.542 -9.879 1.00 0.00 C ATOM 1915 C LYS A 121 14.077 -21.439 -10.508 1.00 0.00 C ATOM 1916 O LYS A 121 15.149 -21.630 -9.936 1.00 0.00 O ATOM 1917 CB LYS A 121 11.688 -21.261 -9.599 1.00 0.00 C ATOM 1918 CG LYS A 121 11.522 -21.541 -8.104 1.00 0.00 C ATOM 1919 CD LYS A 121 11.084 -22.987 -7.863 1.00 0.00 C ATOM 1920 CE LYS A 121 12.287 -23.931 -7.858 1.00 0.00 C ATOM 1921 NZ LYS A 121 12.253 -24.809 -6.666 1.00 0.00 N ATOM 0 H LYS A 121 12.080 -19.518 -11.453 1.00 0.00 H new ATOM 0 HA LYS A 121 13.387 -20.230 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 121 10.856 -20.652 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 121 11.655 -22.199 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.463 -21.351 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 121 10.784 -20.859 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.558 -23.057 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.381 -23.292 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.284 -24.537 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.211 -23.352 -7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.077 -25.443 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.278 -24.226 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.380 -25.375 -6.676 1.00 0.00 H new ATOM 1935 N SER A 122 13.746 -21.968 -11.677 1.00 0.00 N ATOM 1936 CA SER A 122 14.663 -22.841 -12.390 1.00 0.00 C ATOM 1937 C SER A 122 14.465 -22.686 -13.899 1.00 0.00 C ATOM 1938 O SER A 122 13.492 -23.191 -14.456 1.00 0.00 O ATOM 1939 CB SER A 122 14.467 -24.301 -11.976 1.00 0.00 C ATOM 1940 OG SER A 122 15.432 -25.160 -12.577 1.00 0.00 O ATOM 0 H SER A 122 12.855 -21.809 -12.148 1.00 0.00 H new ATOM 0 HA SER A 122 15.682 -22.552 -12.132 1.00 0.00 H new ATOM 0 HB2 SER A 122 14.535 -24.382 -10.891 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.466 -24.627 -12.258 1.00 0.00 H new ATOM 0 HG SER A 122 15.274 -26.083 -12.287 1.00 0.00 H new ATOM 1946 N GLY A 123 15.405 -21.987 -14.518 1.00 0.00 N ATOM 1947 CA GLY A 123 15.347 -21.760 -15.952 1.00 0.00 C ATOM 1948 C GLY A 123 15.110 -20.281 -16.264 1.00 0.00 C ATOM 1949 O GLY A 123 14.146 -19.688 -15.783 1.00 0.00 O ATOM 0 H GLY A 123 16.211 -21.570 -14.053 1.00 0.00 H new ATOM 0 HA2 GLY A 123 16.278 -22.088 -16.414 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.547 -22.360 -16.387 1.00 0.00 H new ATOM 1953 N PRO A 124 16.031 -19.713 -17.088 1.00 0.00 N ATOM 1954 CA PRO A 124 15.932 -18.314 -17.470 1.00 0.00 C ATOM 1955 C PRO A 124 14.825 -18.106 -18.505 1.00 0.00 C ATOM 1956 O PRO A 124 15.080 -18.148 -19.708 1.00 0.00 O ATOM 1957 CB PRO A 124 17.312 -17.951 -17.993 1.00 0.00 C ATOM 1958 CG PRO A 124 17.995 -19.269 -18.319 1.00 0.00 C ATOM 1959 CD PRO A 124 17.186 -20.384 -17.676 1.00 0.00 C ATOM 0 HA PRO A 124 15.655 -17.668 -16.637 1.00 0.00 H new ATOM 0 HB2 PRO A 124 17.240 -17.319 -18.878 1.00 0.00 H new ATOM 0 HB3 PRO A 124 17.878 -17.392 -17.247 1.00 0.00 H new ATOM 0 HG2 PRO A 124 18.053 -19.413 -19.398 1.00 0.00 H new ATOM 0 HG3 PRO A 124 19.018 -19.273 -17.942 1.00 0.00 H new ATOM 0 HD2 PRO A 124 16.880 -21.126 -18.413 1.00 0.00 H new ATOM 0 HD3 PRO A 124 17.768 -20.908 -16.918 1.00 0.00 H new ATOM 1967 N SER A 125 13.621 -17.884 -18.000 1.00 0.00 N ATOM 1968 CA SER A 125 12.474 -17.668 -18.867 1.00 0.00 C ATOM 1969 C SER A 125 12.020 -16.210 -18.781 1.00 0.00 C ATOM 1970 O SER A 125 12.054 -15.608 -17.709 1.00 0.00 O ATOM 1971 CB SER A 125 11.322 -18.605 -18.499 1.00 0.00 C ATOM 1972 OG SER A 125 11.173 -19.663 -19.442 1.00 0.00 O ATOM 0 H SER A 125 13.414 -17.849 -17.002 1.00 0.00 H new ATOM 0 HA SER A 125 12.773 -17.889 -19.892 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.498 -19.024 -17.508 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.394 -18.035 -18.444 1.00 0.00 H new ATOM 0 HG SER A 125 10.429 -20.240 -19.171 1.00 0.00 H new ATOM 1978 N SER A 126 11.606 -15.684 -19.924 1.00 0.00 N ATOM 1979 CA SER A 126 11.146 -14.307 -19.992 1.00 0.00 C ATOM 1980 C SER A 126 9.631 -14.252 -19.789 1.00 0.00 C ATOM 1981 O SER A 126 8.871 -14.746 -20.620 1.00 0.00 O ATOM 1982 CB SER A 126 11.527 -13.664 -21.327 1.00 0.00 C ATOM 1983 OG SER A 126 10.592 -13.977 -22.356 1.00 0.00 O ATOM 0 H SER A 126 11.579 -16.187 -20.811 1.00 0.00 H new ATOM 0 HA SER A 126 11.634 -13.743 -19.197 1.00 0.00 H new ATOM 0 HB2 SER A 126 11.584 -12.582 -21.205 1.00 0.00 H new ATOM 0 HB3 SER A 126 12.519 -14.004 -21.623 1.00 0.00 H new ATOM 0 HG SER A 126 9.768 -14.324 -21.955 1.00 0.00 H new ATOM 1989 N GLY A 127 9.236 -13.646 -18.679 1.00 0.00 N ATOM 1990 CA GLY A 127 7.825 -13.519 -18.356 1.00 0.00 C ATOM 1991 C GLY A 127 7.246 -14.858 -17.894 1.00 0.00 C ATOM 1992 O GLY A 127 7.238 -15.157 -16.701 1.00 0.00 O ATOM 0 H GLY A 127 9.869 -13.237 -17.992 1.00 0.00 H new ATOM 0 HA2 GLY A 127 7.693 -12.772 -17.573 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.279 -13.164 -19.230 1.00 0.00 H new TER 1996 GLY A 127