USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 719 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 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.0214 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 15:sc= 0.0489 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00422) USER MOD Single : A 11 THR OG1 : rot 38:sc= 0.282 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -57:sc= 0.801 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00812) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0421) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -176:sc=-0.00613 (180deg=-0.0433) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 13:sc= -0.182 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= 0.768 (180deg=0.149) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 13:sc= 1.12 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.115 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.618 10.130 -35.027 1.00 0.00 N ATOM 2 CA GLY A 1 6.330 10.224 -33.608 1.00 0.00 C ATOM 3 C GLY A 1 4.938 10.758 -33.333 1.00 0.00 C ATOM 4 O GLY A 1 4.421 11.580 -34.090 1.00 0.00 O ATOM 0 H1 GLY A 1 6.462 9.154 -35.349 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.991 10.772 -35.552 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.608 10.397 -35.199 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.434 9.239 -33.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.065 10.874 -33.133 1.00 0.00 H new ATOM 8 N SER A 2 4.330 10.291 -32.248 1.00 0.00 N ATOM 9 CA SER A 2 2.987 10.723 -31.878 1.00 0.00 C ATOM 10 C SER A 2 2.688 10.379 -30.423 1.00 0.00 C ATOM 11 O SER A 2 3.363 9.546 -29.818 1.00 0.00 O ATOM 12 CB SER A 2 1.949 10.071 -32.793 1.00 0.00 C ATOM 13 OG SER A 2 1.757 8.708 -32.457 1.00 0.00 O ATOM 0 H SER A 2 4.746 9.613 -31.609 1.00 0.00 H new ATOM 0 HA SER A 2 2.934 11.805 -31.995 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.002 10.605 -32.713 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.273 10.151 -33.831 1.00 0.00 H new ATOM 0 HG SER A 2 1.088 8.315 -33.055 1.00 0.00 H new ATOM 19 N SER A 3 1.669 11.026 -29.866 1.00 0.00 N ATOM 20 CA SER A 3 1.280 10.792 -28.480 1.00 0.00 C ATOM 21 C SER A 3 -0.236 10.854 -28.323 1.00 0.00 C ATOM 22 O SER A 3 -0.945 11.321 -29.213 1.00 0.00 O ATOM 23 CB SER A 3 1.942 11.822 -27.562 1.00 0.00 C ATOM 24 OG SER A 3 3.288 11.472 -27.289 1.00 0.00 O ATOM 0 H SER A 3 1.098 11.716 -30.353 1.00 0.00 H new ATOM 0 HA SER A 3 1.616 9.794 -28.198 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.907 12.806 -28.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.385 11.892 -26.628 1.00 0.00 H new ATOM 0 HG SER A 3 3.583 10.787 -27.925 1.00 0.00 H new ATOM 30 N GLY A 4 -0.726 10.379 -27.182 1.00 0.00 N ATOM 31 CA GLY A 4 -2.155 10.389 -26.927 1.00 0.00 C ATOM 32 C GLY A 4 -2.629 9.126 -26.235 1.00 0.00 C ATOM 33 O GLY A 4 -2.374 8.018 -26.706 1.00 0.00 O ATOM 0 H GLY A 4 -0.159 9.988 -26.430 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.405 11.253 -26.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.689 10.505 -27.870 1.00 0.00 H new ATOM 37 N SER A 5 -3.321 9.293 -25.112 1.00 0.00 N ATOM 38 CA SER A 5 -3.827 8.158 -24.350 1.00 0.00 C ATOM 39 C SER A 5 -5.320 8.309 -24.077 1.00 0.00 C ATOM 40 O SER A 5 -5.723 8.916 -23.086 1.00 0.00 O ATOM 41 CB SER A 5 -3.067 8.024 -23.029 1.00 0.00 C ATOM 42 OG SER A 5 -1.782 7.463 -23.235 1.00 0.00 O ATOM 0 H SER A 5 -3.544 10.204 -24.710 1.00 0.00 H new ATOM 0 HA SER A 5 -3.673 7.257 -24.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.969 9.004 -22.561 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.635 7.398 -22.341 1.00 0.00 H new ATOM 0 HG SER A 5 -1.316 7.389 -22.376 1.00 0.00 H new ATOM 48 N SER A 6 -6.137 7.751 -24.966 1.00 0.00 N ATOM 49 CA SER A 6 -7.586 7.826 -24.824 1.00 0.00 C ATOM 50 C SER A 6 -8.057 7.018 -23.619 1.00 0.00 C ATOM 51 O SER A 6 -7.535 5.941 -23.337 1.00 0.00 O ATOM 52 CB SER A 6 -8.271 7.315 -26.093 1.00 0.00 C ATOM 53 OG SER A 6 -8.136 8.245 -27.155 1.00 0.00 O ATOM 0 H SER A 6 -5.820 7.243 -25.791 1.00 0.00 H new ATOM 0 HA SER A 6 -7.857 8.870 -24.668 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.836 6.359 -26.385 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.328 7.137 -25.893 1.00 0.00 H new ATOM 0 HG SER A 6 -8.580 7.895 -27.955 1.00 0.00 H new ATOM 59 N GLY A 7 -9.049 7.549 -22.909 1.00 0.00 N ATOM 60 CA GLY A 7 -9.575 6.865 -21.742 1.00 0.00 C ATOM 61 C GLY A 7 -10.559 7.717 -20.966 1.00 0.00 C ATOM 62 O GLY A 7 -10.484 8.945 -20.991 1.00 0.00 O ATOM 0 H GLY A 7 -9.497 8.440 -23.122 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.065 5.943 -22.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.750 6.581 -21.088 1.00 0.00 H new ATOM 66 N LYS A 8 -11.487 7.064 -20.275 1.00 0.00 N ATOM 67 CA LYS A 8 -12.492 7.768 -19.487 1.00 0.00 C ATOM 68 C LYS A 8 -11.933 8.171 -18.126 1.00 0.00 C ATOM 69 O LYS A 8 -11.852 9.356 -17.805 1.00 0.00 O ATOM 70 CB LYS A 8 -13.732 6.890 -19.302 1.00 0.00 C ATOM 71 CG LYS A 8 -15.019 7.680 -19.143 1.00 0.00 C ATOM 72 CD LYS A 8 -16.101 6.854 -18.469 1.00 0.00 C ATOM 73 CE LYS A 8 -17.057 7.730 -17.674 1.00 0.00 C ATOM 74 NZ LYS A 8 -16.463 8.169 -16.381 1.00 0.00 N ATOM 0 H LYS A 8 -11.564 6.047 -20.245 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.772 8.673 -20.027 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.827 6.225 -20.161 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.592 6.259 -18.424 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.826 8.577 -18.555 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.368 8.009 -20.122 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.658 6.297 -19.223 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.641 6.121 -17.806 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.325 8.605 -18.266 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.979 7.180 -17.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.164 8.721 -15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.184 7.335 -15.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.626 8.758 -16.566 1.00 0.00 H new ATOM 88 N GLU A 9 -11.548 7.177 -17.332 1.00 0.00 N ATOM 89 CA GLU A 9 -10.996 7.429 -16.006 1.00 0.00 C ATOM 90 C GLU A 9 -9.710 6.636 -15.792 1.00 0.00 C ATOM 91 O GLU A 9 -9.594 5.493 -16.233 1.00 0.00 O ATOM 92 CB GLU A 9 -12.018 7.067 -14.927 1.00 0.00 C ATOM 93 CG GLU A 9 -12.236 5.572 -14.772 1.00 0.00 C ATOM 94 CD GLU A 9 -13.582 5.239 -14.158 1.00 0.00 C ATOM 95 OE1 GLU A 9 -14.611 5.459 -14.830 1.00 0.00 O ATOM 96 OE2 GLU A 9 -13.606 4.759 -13.005 1.00 0.00 O ATOM 0 H GLU A 9 -11.608 6.190 -17.584 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.763 8.491 -15.933 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.688 7.478 -13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.970 7.541 -15.166 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.158 5.094 -15.749 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.444 5.156 -14.149 1.00 0.00 H new ATOM 103 N GLU A 10 -8.748 7.251 -15.112 1.00 0.00 N ATOM 104 CA GLU A 10 -7.471 6.603 -14.840 1.00 0.00 C ATOM 105 C GLU A 10 -7.370 6.192 -13.374 1.00 0.00 C ATOM 106 O GLU A 10 -7.705 6.965 -12.476 1.00 0.00 O ATOM 107 CB GLU A 10 -6.313 7.536 -15.201 1.00 0.00 C ATOM 108 CG GLU A 10 -6.041 7.618 -16.694 1.00 0.00 C ATOM 109 CD GLU A 10 -6.025 6.256 -17.360 1.00 0.00 C ATOM 110 OE1 GLU A 10 -5.127 5.449 -17.041 1.00 0.00 O ATOM 111 OE2 GLU A 10 -6.911 5.998 -18.202 1.00 0.00 O ATOM 0 H GLU A 10 -8.829 8.197 -14.739 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.410 5.705 -15.455 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.532 8.535 -14.824 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.411 7.195 -14.694 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.803 8.239 -17.165 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.082 8.110 -16.858 1.00 0.00 H new ATOM 118 N THR A 11 -6.905 4.969 -13.138 1.00 0.00 N ATOM 119 CA THR A 11 -6.761 4.455 -11.782 1.00 0.00 C ATOM 120 C THR A 11 -5.512 5.016 -11.111 1.00 0.00 C ATOM 121 O THR A 11 -4.397 4.821 -11.593 1.00 0.00 O ATOM 122 CB THR A 11 -6.688 2.916 -11.771 1.00 0.00 C ATOM 123 OG1 THR A 11 -5.630 2.469 -12.625 1.00 0.00 O ATOM 124 CG2 THR A 11 -8.006 2.309 -12.227 1.00 0.00 C ATOM 0 H THR A 11 -6.622 4.316 -13.869 1.00 0.00 H new ATOM 0 HA THR A 11 -7.643 4.775 -11.227 1.00 0.00 H new ATOM 0 HB THR A 11 -6.491 2.591 -10.749 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.866 3.077 -12.545 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.931 1.222 -12.211 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.804 2.627 -11.557 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.229 2.642 -13.241 1.00 0.00 H new ATOM 132 N GLU A 12 -5.708 5.713 -9.996 1.00 0.00 N ATOM 133 CA GLU A 12 -4.597 6.302 -9.259 1.00 0.00 C ATOM 134 C GLU A 12 -4.568 5.794 -7.820 1.00 0.00 C ATOM 135 O GLU A 12 -4.060 6.468 -6.923 1.00 0.00 O ATOM 136 CB GLU A 12 -4.701 7.829 -9.270 1.00 0.00 C ATOM 137 CG GLU A 12 -6.071 8.348 -8.871 1.00 0.00 C ATOM 138 CD GLU A 12 -6.242 8.449 -7.368 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.229 8.659 -6.668 1.00 0.00 O ATOM 140 OE2 GLU A 12 -7.389 8.318 -6.891 1.00 0.00 O ATOM 0 H GLU A 12 -6.625 5.883 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.671 6.004 -9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.954 8.241 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.460 8.194 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.227 9.330 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.838 7.688 -9.276 1.00 0.00 H new ATOM 147 N ILE A 13 -5.116 4.602 -7.609 1.00 0.00 N ATOM 148 CA ILE A 13 -5.152 4.004 -6.280 1.00 0.00 C ATOM 149 C ILE A 13 -4.854 2.510 -6.342 1.00 0.00 C ATOM 150 O ILE A 13 -5.176 1.842 -7.325 1.00 0.00 O ATOM 151 CB ILE A 13 -6.520 4.215 -5.605 1.00 0.00 C ATOM 152 CG1 ILE A 13 -6.834 5.709 -5.496 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.539 3.563 -4.230 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.230 5.997 -4.990 1.00 0.00 C ATOM 0 H ILE A 13 -5.541 4.032 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.383 4.502 -5.689 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.288 3.745 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.110 6.176 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.709 6.171 -6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.513 3.721 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.355 2.494 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.763 4.007 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.383 7.075 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.961 5.559 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.353 5.565 -3.997 1.00 0.00 H new ATOM 166 N ILE A 14 -4.238 1.991 -5.285 1.00 0.00 N ATOM 167 CA ILE A 14 -3.899 0.575 -5.218 1.00 0.00 C ATOM 168 C ILE A 14 -3.971 0.060 -3.784 1.00 0.00 C ATOM 169 O ILE A 14 -3.335 0.609 -2.885 1.00 0.00 O ATOM 170 CB ILE A 14 -2.490 0.306 -5.778 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.160 1.305 -6.889 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.388 -1.122 -6.294 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.703 1.297 -7.295 1.00 0.00 C ATOM 0 H ILE A 14 -3.964 2.530 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.631 0.046 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.765 0.433 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.773 1.081 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.431 2.307 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.386 -1.296 -6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.585 -1.818 -5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.120 -1.276 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.542 2.029 -8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.084 1.551 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.432 0.305 -7.657 1.00 0.00 H new ATOM 185 N GLU A 15 -4.748 -0.999 -3.580 1.00 0.00 N ATOM 186 CA GLU A 15 -4.902 -1.589 -2.255 1.00 0.00 C ATOM 187 C GLU A 15 -4.273 -2.979 -2.202 1.00 0.00 C ATOM 188 O GLU A 15 -4.414 -3.771 -3.132 1.00 0.00 O ATOM 189 CB GLU A 15 -6.382 -1.672 -1.878 1.00 0.00 C ATOM 190 CG GLU A 15 -6.647 -2.501 -0.632 1.00 0.00 C ATOM 191 CD GLU A 15 -6.885 -3.966 -0.946 1.00 0.00 C ATOM 192 OE1 GLU A 15 -5.892 -4.708 -1.098 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.063 -4.369 -1.040 1.00 0.00 O ATOM 0 H GLU A 15 -5.280 -1.466 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.388 -0.949 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.766 -0.664 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.938 -2.099 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.799 -2.412 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.516 -2.099 -0.111 1.00 0.00 H new ATOM 200 N GLY A 16 -3.579 -3.266 -1.105 1.00 0.00 N ATOM 201 CA GLY A 16 -2.938 -4.559 -0.951 1.00 0.00 C ATOM 202 C GLY A 16 -2.678 -4.907 0.501 1.00 0.00 C ATOM 203 O GLY A 16 -2.744 -4.043 1.374 1.00 0.00 O ATOM 0 H GLY A 16 -3.449 -2.627 -0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.567 -5.329 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.994 -4.561 -1.497 1.00 0.00 H new ATOM 207 N GLU A 17 -2.382 -6.177 0.760 1.00 0.00 N ATOM 208 CA GLU A 17 -2.114 -6.637 2.118 1.00 0.00 C ATOM 209 C GLU A 17 -0.681 -6.312 2.529 1.00 0.00 C ATOM 210 O GLU A 17 0.265 -6.973 2.101 1.00 0.00 O ATOM 211 CB GLU A 17 -2.358 -8.144 2.227 1.00 0.00 C ATOM 212 CG GLU A 17 -2.009 -8.719 3.590 1.00 0.00 C ATOM 213 CD GLU A 17 -2.368 -10.187 3.712 1.00 0.00 C ATOM 214 OE1 GLU A 17 -3.426 -10.586 3.183 1.00 0.00 O ATOM 215 OE2 GLU A 17 -1.590 -10.938 4.338 1.00 0.00 O ATOM 0 H GLU A 17 -2.322 -6.905 0.048 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.794 -6.116 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.407 -8.350 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.770 -8.655 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.941 -8.593 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.532 -8.155 4.363 1.00 0.00 H new ATOM 222 N VAL A 18 -0.529 -5.287 3.362 1.00 0.00 N ATOM 223 CA VAL A 18 0.788 -4.873 3.832 1.00 0.00 C ATOM 224 C VAL A 18 1.660 -6.080 4.158 1.00 0.00 C ATOM 225 O VAL A 18 1.487 -6.723 5.194 1.00 0.00 O ATOM 226 CB VAL A 18 0.682 -3.977 5.081 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.059 -3.501 5.515 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.240 -2.797 4.813 1.00 0.00 C ATOM 0 H VAL A 18 -1.301 -4.728 3.725 1.00 0.00 H new ATOM 0 HA VAL A 18 1.248 -4.304 3.024 1.00 0.00 H new ATOM 0 HB VAL A 18 0.255 -4.565 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.964 -2.870 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.684 -4.362 5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.517 -2.929 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.303 -2.175 5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.155 -2.207 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.234 -3.163 4.555 1.00 0.00 H new ATOM 238 N VAL A 19 2.599 -6.383 3.267 1.00 0.00 N ATOM 239 CA VAL A 19 3.500 -7.513 3.461 1.00 0.00 C ATOM 240 C VAL A 19 4.694 -7.121 4.323 1.00 0.00 C ATOM 241 O VAL A 19 4.998 -7.782 5.316 1.00 0.00 O ATOM 242 CB VAL A 19 4.010 -8.060 2.114 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.976 -9.214 2.339 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.844 -8.493 1.239 1.00 0.00 C ATOM 0 H VAL A 19 2.755 -5.862 2.404 1.00 0.00 H new ATOM 0 HA VAL A 19 2.929 -8.291 3.968 1.00 0.00 H new ATOM 0 HB VAL A 19 4.546 -7.264 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.326 -9.588 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.827 -8.867 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.468 -10.015 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.223 -8.877 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.279 -9.274 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.194 -7.639 1.050 1.00 0.00 H new ATOM 254 N GLU A 20 5.368 -6.042 3.938 1.00 0.00 N ATOM 255 CA GLU A 20 6.530 -5.563 4.677 1.00 0.00 C ATOM 256 C GLU A 20 6.714 -4.060 4.486 1.00 0.00 C ATOM 257 O GLU A 20 6.421 -3.518 3.420 1.00 0.00 O ATOM 258 CB GLU A 20 7.790 -6.303 4.225 1.00 0.00 C ATOM 259 CG GLU A 20 8.940 -6.208 5.214 1.00 0.00 C ATOM 260 CD GLU A 20 8.916 -7.319 6.245 1.00 0.00 C ATOM 261 OE1 GLU A 20 8.967 -8.501 5.845 1.00 0.00 O ATOM 262 OE2 GLU A 20 8.848 -7.007 7.452 1.00 0.00 O ATOM 0 H GLU A 20 5.129 -5.483 3.119 1.00 0.00 H new ATOM 0 HA GLU A 20 6.362 -5.760 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.546 -7.353 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.113 -5.900 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.885 -6.241 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.898 -5.245 5.722 1.00 0.00 H new ATOM 269 N ILE A 21 7.201 -3.393 5.527 1.00 0.00 N ATOM 270 CA ILE A 21 7.424 -1.953 5.475 1.00 0.00 C ATOM 271 C ILE A 21 8.849 -1.603 5.891 1.00 0.00 C ATOM 272 O ILE A 21 9.143 -1.464 7.078 1.00 0.00 O ATOM 273 CB ILE A 21 6.436 -1.197 6.382 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.999 -1.421 5.906 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.767 0.288 6.403 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.962 -1.177 6.980 1.00 0.00 C ATOM 0 H ILE A 21 7.449 -3.826 6.416 1.00 0.00 H new ATOM 0 HA ILE A 21 7.263 -1.646 4.442 1.00 0.00 H new ATOM 0 HB ILE A 21 6.527 -1.585 7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.798 -0.762 5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.900 -2.444 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.060 0.809 7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.778 0.430 6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.700 0.690 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.967 -1.355 6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.138 -1.854 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.033 -0.146 7.327 1.00 0.00 H new ATOM 288 N GLN A 22 9.729 -1.460 4.905 1.00 0.00 N ATOM 289 CA GLN A 22 11.123 -1.124 5.169 1.00 0.00 C ATOM 290 C GLN A 22 11.333 0.386 5.146 1.00 0.00 C ATOM 291 O GLN A 22 10.646 1.107 4.422 1.00 0.00 O ATOM 292 CB GLN A 22 12.035 -1.793 4.139 1.00 0.00 C ATOM 293 CG GLN A 22 13.501 -1.423 4.293 1.00 0.00 C ATOM 294 CD GLN A 22 14.399 -2.184 3.337 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.872 -1.635 2.342 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.638 -3.456 3.635 1.00 0.00 N ATOM 0 H GLN A 22 9.501 -1.572 3.917 1.00 0.00 H new ATOM 0 HA GLN A 22 11.377 -1.493 6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.931 -2.875 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.703 -1.517 3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.621 -0.353 4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.816 -1.622 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.225 -3.870 4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.235 -4.018 3.028 1.00 0.00 H new ATOM 305 N ILE A 23 12.286 0.858 5.943 1.00 0.00 N ATOM 306 CA ILE A 23 12.587 2.283 6.013 1.00 0.00 C ATOM 307 C ILE A 23 14.090 2.531 5.956 1.00 0.00 C ATOM 308 O ILE A 23 14.809 2.275 6.922 1.00 0.00 O ATOM 309 CB ILE A 23 12.021 2.915 7.298 1.00 0.00 C ATOM 310 CG1 ILE A 23 10.506 2.712 7.368 1.00 0.00 C ATOM 311 CG2 ILE A 23 12.366 4.396 7.356 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.752 3.398 6.250 1.00 0.00 C ATOM 0 H ILE A 23 12.863 0.275 6.549 1.00 0.00 H new ATOM 0 HA ILE A 23 12.112 2.749 5.150 1.00 0.00 H new ATOM 0 HB ILE A 23 12.474 2.422 8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.289 1.644 7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.141 3.086 8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.959 4.829 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.449 4.518 7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.937 4.904 6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.684 3.211 6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.939 4.471 6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.089 3.007 5.290 1.00 0.00 H new ATOM 324 N ASP A 24 14.559 3.033 4.819 1.00 0.00 N ATOM 325 CA ASP A 24 15.977 3.319 4.637 1.00 0.00 C ATOM 326 C ASP A 24 16.347 4.657 5.271 1.00 0.00 C ATOM 327 O ASP A 24 15.765 5.691 4.947 1.00 0.00 O ATOM 328 CB ASP A 24 16.330 3.332 3.149 1.00 0.00 C ATOM 329 CG ASP A 24 16.729 1.962 2.637 1.00 0.00 C ATOM 330 OD1 ASP A 24 17.104 1.106 3.465 1.00 0.00 O ATOM 331 OD2 ASP A 24 16.667 1.745 1.408 1.00 0.00 O ATOM 0 H ASP A 24 13.978 3.250 4.009 1.00 0.00 H new ATOM 0 HA ASP A 24 16.547 2.532 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.475 3.695 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.147 4.033 2.979 1.00 0.00 H new ATOM 336 N ARG A 25 17.319 4.627 6.178 1.00 0.00 N ATOM 337 CA ARG A 25 17.765 5.836 6.859 1.00 0.00 C ATOM 338 C ARG A 25 18.753 6.614 5.995 1.00 0.00 C ATOM 339 O ARG A 25 19.524 6.043 5.222 1.00 0.00 O ATOM 340 CB ARG A 25 18.412 5.482 8.199 1.00 0.00 C ATOM 341 CG ARG A 25 17.409 5.134 9.287 1.00 0.00 C ATOM 342 CD ARG A 25 16.956 6.373 10.044 1.00 0.00 C ATOM 343 NE ARG A 25 16.189 6.033 11.240 1.00 0.00 N ATOM 344 CZ ARG A 25 15.479 6.917 11.933 1.00 0.00 C ATOM 345 NH1 ARG A 25 15.439 8.186 11.552 1.00 0.00 N ATOM 346 NH2 ARG A 25 14.807 6.531 13.010 1.00 0.00 N ATOM 0 H ARG A 25 17.812 3.779 6.458 1.00 0.00 H new ATOM 0 HA ARG A 25 16.893 6.465 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.087 4.638 8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.020 6.323 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.544 4.642 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.857 4.425 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.827 6.963 10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.348 6.996 9.388 1.00 0.00 H new ATOM 0 HE ARG A 25 16.199 5.065 11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 25 15.954 8.487 10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.893 8.862 12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.835 5.555 13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.262 7.210 13.542 1.00 0.00 H new ATOM 360 N PRO A 26 18.731 7.949 6.126 1.00 0.00 N ATOM 361 CA PRO A 26 19.618 8.834 5.365 1.00 0.00 C ATOM 362 C PRO A 26 21.073 8.716 5.808 1.00 0.00 C ATOM 363 O PRO A 26 21.391 7.972 6.735 1.00 0.00 O ATOM 364 CB PRO A 26 19.076 10.231 5.676 1.00 0.00 C ATOM 365 CG PRO A 26 18.401 10.091 6.996 1.00 0.00 C ATOM 366 CD PRO A 26 17.839 8.697 7.028 1.00 0.00 C ATOM 0 HA PRO A 26 19.624 8.591 4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.879 10.967 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 26 18.378 10.565 4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 26 19.106 10.247 7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 26 17.611 10.833 7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 26 17.848 8.283 8.036 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.805 8.672 6.683 1.00 0.00 H new ATOM 374 N ALA A 27 21.951 9.456 5.139 1.00 0.00 N ATOM 375 CA ALA A 27 23.372 9.436 5.465 1.00 0.00 C ATOM 376 C ALA A 27 23.747 10.616 6.355 1.00 0.00 C ATOM 377 O ALA A 27 24.795 11.237 6.171 1.00 0.00 O ATOM 378 CB ALA A 27 24.206 9.445 4.193 1.00 0.00 C ATOM 0 H ALA A 27 21.704 10.077 4.368 1.00 0.00 H new ATOM 0 HA ALA A 27 23.581 8.519 6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 27 25.265 9.430 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 27 23.966 8.566 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 27 23.986 10.345 3.620 1.00 0.00 H new ATOM 384 N THR A 28 22.885 10.922 7.320 1.00 0.00 N ATOM 385 CA THR A 28 23.126 12.029 8.237 1.00 0.00 C ATOM 386 C THR A 28 23.746 13.218 7.512 1.00 0.00 C ATOM 387 O THR A 28 24.606 13.910 8.057 1.00 0.00 O ATOM 388 CB THR A 28 24.050 11.609 9.395 1.00 0.00 C ATOM 389 OG1 THR A 28 24.162 12.675 10.344 1.00 0.00 O ATOM 390 CG2 THR A 28 25.431 11.236 8.877 1.00 0.00 C ATOM 0 H THR A 28 22.014 10.418 7.487 1.00 0.00 H new ATOM 0 HA THR A 28 22.157 12.319 8.643 1.00 0.00 H new ATOM 0 HB THR A 28 23.614 10.736 9.881 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.488 13.482 9.893 1.00 0.00 H new ATOM 0 HG21 THR A 28 26.066 10.943 9.713 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.345 10.404 8.178 1.00 0.00 H new ATOM 0 HG23 THR A 28 25.873 12.093 8.369 1.00 0.00 H new ATOM 398 N GLY A 29 23.304 13.451 6.280 1.00 0.00 N ATOM 399 CA GLY A 29 23.827 14.558 5.501 1.00 0.00 C ATOM 400 C GLY A 29 22.738 15.325 4.778 1.00 0.00 C ATOM 401 O GLY A 29 22.034 16.137 5.380 1.00 0.00 O ATOM 0 H GLY A 29 22.593 12.893 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.369 15.237 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.544 14.179 4.773 1.00 0.00 H new ATOM 405 N THR A 30 22.597 15.068 3.481 1.00 0.00 N ATOM 406 CA THR A 30 21.587 15.741 2.674 1.00 0.00 C ATOM 407 C THR A 30 20.682 14.734 1.974 1.00 0.00 C ATOM 408 O THR A 30 21.147 13.903 1.196 1.00 0.00 O ATOM 409 CB THR A 30 22.233 16.657 1.616 1.00 0.00 C ATOM 410 OG1 THR A 30 21.216 17.324 0.860 1.00 0.00 O ATOM 411 CG2 THR A 30 23.125 15.856 0.679 1.00 0.00 C ATOM 0 H THR A 30 23.170 14.398 2.967 1.00 0.00 H new ATOM 0 HA THR A 30 20.991 16.348 3.355 1.00 0.00 H new ATOM 0 HB THR A 30 22.846 17.396 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 30 21.634 17.905 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 30 23.570 16.524 -0.059 1.00 0.00 H new ATOM 0 HG22 THR A 30 23.915 15.372 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 30 22.530 15.098 0.170 1.00 0.00 H new ATOM 419 N GLY A 31 19.385 14.816 2.255 1.00 0.00 N ATOM 420 CA GLY A 31 18.434 13.906 1.643 1.00 0.00 C ATOM 421 C GLY A 31 17.043 14.040 2.230 1.00 0.00 C ATOM 422 O GLY A 31 16.694 15.082 2.785 1.00 0.00 O ATOM 0 H GLY A 31 18.976 15.496 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.392 14.096 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.782 12.881 1.772 1.00 0.00 H new ATOM 426 N SER A 32 16.246 12.983 2.107 1.00 0.00 N ATOM 427 CA SER A 32 14.883 12.989 2.625 1.00 0.00 C ATOM 428 C SER A 32 14.443 11.580 3.011 1.00 0.00 C ATOM 429 O SER A 32 14.918 10.593 2.451 1.00 0.00 O ATOM 430 CB SER A 32 13.923 13.569 1.584 1.00 0.00 C ATOM 431 OG SER A 32 14.300 14.885 1.219 1.00 0.00 O ATOM 0 H SER A 32 16.521 12.112 1.653 1.00 0.00 H new ATOM 0 HA SER A 32 14.861 13.615 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.913 12.932 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.909 13.576 1.984 1.00 0.00 H new ATOM 0 HG SER A 32 13.672 15.232 0.552 1.00 0.00 H new ATOM 437 N LYS A 33 13.530 11.496 3.973 1.00 0.00 N ATOM 438 CA LYS A 33 13.023 10.210 4.436 1.00 0.00 C ATOM 439 C LYS A 33 12.723 9.287 3.258 1.00 0.00 C ATOM 440 O LYS A 33 12.185 9.720 2.239 1.00 0.00 O ATOM 441 CB LYS A 33 11.759 10.409 5.275 1.00 0.00 C ATOM 442 CG LYS A 33 11.559 9.342 6.338 1.00 0.00 C ATOM 443 CD LYS A 33 12.248 9.716 7.639 1.00 0.00 C ATOM 444 CE LYS A 33 11.435 10.730 8.429 1.00 0.00 C ATOM 445 NZ LYS A 33 10.289 10.093 9.135 1.00 0.00 N ATOM 0 H LYS A 33 13.126 12.304 4.447 1.00 0.00 H new ATOM 0 HA LYS A 33 13.792 9.745 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.803 11.386 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.892 10.418 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.493 9.201 6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.951 8.391 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.400 8.821 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.235 10.127 7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.079 11.225 9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.063 11.502 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.811 10.800 9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.617 9.716 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.638 9.317 9.734 1.00 0.00 H new ATOM 459 N VAL A 34 13.073 8.014 3.406 1.00 0.00 N ATOM 460 CA VAL A 34 12.840 7.030 2.356 1.00 0.00 C ATOM 461 C VAL A 34 12.494 5.667 2.946 1.00 0.00 C ATOM 462 O VAL A 34 13.093 5.236 3.931 1.00 0.00 O ATOM 463 CB VAL A 34 14.069 6.884 1.440 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.303 8.163 0.651 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.300 6.519 2.256 1.00 0.00 C ATOM 0 H VAL A 34 13.519 7.639 4.243 1.00 0.00 H new ATOM 0 HA VAL A 34 11.998 7.391 1.766 1.00 0.00 H new ATOM 0 HB VAL A 34 13.878 6.078 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.176 8.040 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.428 8.377 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.473 8.990 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.160 6.420 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.496 7.301 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.128 5.574 2.771 1.00 0.00 H new ATOM 475 N GLY A 35 11.524 4.993 2.337 1.00 0.00 N ATOM 476 CA GLY A 35 11.116 3.685 2.816 1.00 0.00 C ATOM 477 C GLY A 35 10.479 2.842 1.729 1.00 0.00 C ATOM 478 O GLY A 35 9.798 3.364 0.846 1.00 0.00 O ATOM 0 H GLY A 35 11.013 5.329 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.984 3.161 3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.410 3.806 3.638 1.00 0.00 H new ATOM 482 N LYS A 36 10.702 1.534 1.790 1.00 0.00 N ATOM 483 CA LYS A 36 10.145 0.615 0.804 1.00 0.00 C ATOM 484 C LYS A 36 8.954 -0.144 1.378 1.00 0.00 C ATOM 485 O LYS A 36 8.997 -0.622 2.513 1.00 0.00 O ATOM 486 CB LYS A 36 11.216 -0.373 0.336 1.00 0.00 C ATOM 487 CG LYS A 36 12.135 0.187 -0.736 1.00 0.00 C ATOM 488 CD LYS A 36 11.524 0.051 -2.121 1.00 0.00 C ATOM 489 CE LYS A 36 12.516 0.438 -3.207 1.00 0.00 C ATOM 490 NZ LYS A 36 12.689 1.914 -3.300 1.00 0.00 N ATOM 0 H LYS A 36 11.265 1.086 2.513 1.00 0.00 H new ATOM 0 HA LYS A 36 9.802 1.201 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.816 -0.678 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.729 -1.269 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.339 1.237 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.091 -0.336 -0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.196 -0.977 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.639 0.683 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.480 -0.028 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.173 0.051 -4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.207 2.149 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.756 2.372 -3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.226 2.253 -2.476 1.00 0.00 H new ATOM 504 N LEU A 37 7.891 -0.253 0.588 1.00 0.00 N ATOM 505 CA LEU A 37 6.687 -0.957 1.018 1.00 0.00 C ATOM 506 C LEU A 37 6.355 -2.099 0.064 1.00 0.00 C ATOM 507 O LEU A 37 6.652 -2.034 -1.129 1.00 0.00 O ATOM 508 CB LEU A 37 5.508 0.014 1.100 1.00 0.00 C ATOM 509 CG LEU A 37 4.117 -0.621 1.131 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.733 -0.997 2.554 1.00 0.00 C ATOM 511 CD2 LEU A 37 3.087 0.324 0.531 1.00 0.00 C ATOM 0 H LEU A 37 7.838 0.137 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 37 6.874 -1.377 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.627 0.624 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.559 0.689 0.245 1.00 0.00 H new ATOM 0 HG LEU A 37 4.140 -1.531 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.740 -1.447 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.456 -1.710 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.727 -0.103 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.103 -0.144 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.066 1.251 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.353 0.543 -0.503 1.00 0.00 H new ATOM 523 N THR A 38 5.733 -3.147 0.597 1.00 0.00 N ATOM 524 CA THR A 38 5.359 -4.304 -0.206 1.00 0.00 C ATOM 525 C THR A 38 3.905 -4.693 0.035 1.00 0.00 C ATOM 526 O THR A 38 3.473 -4.842 1.179 1.00 0.00 O ATOM 527 CB THR A 38 6.260 -5.515 0.098 1.00 0.00 C ATOM 528 OG1 THR A 38 7.637 -5.154 -0.064 1.00 0.00 O ATOM 529 CG2 THR A 38 5.926 -6.682 -0.818 1.00 0.00 C ATOM 0 H THR A 38 5.478 -3.217 1.582 1.00 0.00 H new ATOM 0 HA THR A 38 5.488 -4.019 -1.250 1.00 0.00 H new ATOM 0 HB THR A 38 6.083 -5.821 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.204 -5.929 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.576 -7.526 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.886 -6.973 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.077 -6.385 -1.856 1.00 0.00 H new ATOM 537 N LEU A 39 3.153 -4.858 -1.048 1.00 0.00 N ATOM 538 CA LEU A 39 1.747 -5.231 -0.953 1.00 0.00 C ATOM 539 C LEU A 39 1.404 -6.323 -1.963 1.00 0.00 C ATOM 540 O LEU A 39 1.659 -6.180 -3.159 1.00 0.00 O ATOM 541 CB LEU A 39 0.857 -4.009 -1.185 1.00 0.00 C ATOM 542 CG LEU A 39 0.399 -3.264 0.069 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.579 -2.585 0.747 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.677 -2.246 -0.278 1.00 0.00 C ATOM 0 H LEU A 39 3.494 -4.739 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 39 1.567 -5.619 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.395 -3.308 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.027 -4.328 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.026 -3.989 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.234 -2.060 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.317 -3.336 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.033 -1.872 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.991 -1.725 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.279 -1.525 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.533 -2.757 -0.718 1.00 0.00 H new ATOM 556 N LYS A 40 0.823 -7.413 -1.473 1.00 0.00 N ATOM 557 CA LYS A 40 0.441 -8.528 -2.332 1.00 0.00 C ATOM 558 C LYS A 40 -1.015 -8.406 -2.767 1.00 0.00 C ATOM 559 O LYS A 40 -1.930 -8.746 -2.016 1.00 0.00 O ATOM 560 CB LYS A 40 0.657 -9.856 -1.603 1.00 0.00 C ATOM 561 CG LYS A 40 0.784 -11.048 -2.536 1.00 0.00 C ATOM 562 CD LYS A 40 1.049 -12.332 -1.767 1.00 0.00 C ATOM 563 CE LYS A 40 -0.187 -12.792 -1.008 1.00 0.00 C ATOM 564 NZ LYS A 40 -0.071 -14.209 -0.566 1.00 0.00 N ATOM 0 H LYS A 40 0.606 -7.548 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 40 1.070 -8.501 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.558 -9.784 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.176 -10.026 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.131 -11.154 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.594 -10.873 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.364 -13.113 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.870 -12.176 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.339 -12.152 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.066 -12.681 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.933 -14.484 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.048 -14.823 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.753 -14.311 0.061 1.00 0.00 H new ATOM 578 N THR A 41 -1.225 -7.918 -3.986 1.00 0.00 N ATOM 579 CA THR A 41 -2.570 -7.752 -4.522 1.00 0.00 C ATOM 580 C THR A 41 -2.716 -8.448 -5.870 1.00 0.00 C ATOM 581 O THR A 41 -1.766 -8.515 -6.652 1.00 0.00 O ATOM 582 CB THR A 41 -2.930 -6.263 -4.684 1.00 0.00 C ATOM 583 OG1 THR A 41 -4.194 -6.133 -5.344 1.00 0.00 O ATOM 584 CG2 THR A 41 -1.859 -5.531 -5.479 1.00 0.00 C ATOM 0 H THR A 41 -0.480 -7.631 -4.621 1.00 0.00 H new ATOM 0 HA THR A 41 -3.253 -8.208 -3.806 1.00 0.00 H new ATOM 0 HB THR A 41 -2.992 -5.817 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.416 -5.183 -5.442 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.135 -4.481 -5.581 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.904 -5.607 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.770 -5.980 -6.468 1.00 0.00 H new ATOM 592 N THR A 42 -3.911 -8.965 -6.138 1.00 0.00 N ATOM 593 CA THR A 42 -4.180 -9.657 -7.393 1.00 0.00 C ATOM 594 C THR A 42 -3.107 -10.699 -7.687 1.00 0.00 C ATOM 595 O THR A 42 -2.490 -10.683 -8.751 1.00 0.00 O ATOM 596 CB THR A 42 -4.258 -8.670 -8.573 1.00 0.00 C ATOM 597 OG1 THR A 42 -5.119 -7.575 -8.239 1.00 0.00 O ATOM 598 CG2 THR A 42 -4.773 -9.363 -9.825 1.00 0.00 C ATOM 0 H THR A 42 -4.708 -8.918 -5.503 1.00 0.00 H new ATOM 0 HA THR A 42 -5.144 -10.154 -7.280 1.00 0.00 H new ATOM 0 HB THR A 42 -3.254 -8.295 -8.772 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.162 -6.951 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.819 -8.646 -10.645 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.100 -10.177 -10.093 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.769 -9.763 -9.636 1.00 0.00 H new ATOM 606 N GLU A 43 -2.892 -11.604 -6.738 1.00 0.00 N ATOM 607 CA GLU A 43 -1.893 -12.655 -6.897 1.00 0.00 C ATOM 608 C GLU A 43 -0.581 -12.081 -7.425 1.00 0.00 C ATOM 609 O GLU A 43 0.202 -12.783 -8.065 1.00 0.00 O ATOM 610 CB GLU A 43 -2.407 -13.739 -7.847 1.00 0.00 C ATOM 611 CG GLU A 43 -3.358 -14.724 -7.188 1.00 0.00 C ATOM 612 CD GLU A 43 -4.304 -15.374 -8.179 1.00 0.00 C ATOM 613 OE1 GLU A 43 -4.880 -14.646 -9.014 1.00 0.00 O ATOM 614 OE2 GLU A 43 -4.467 -16.611 -8.119 1.00 0.00 O ATOM 0 H GLU A 43 -3.396 -11.631 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.709 -13.098 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.914 -13.264 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.557 -14.285 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.781 -15.498 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.938 -14.207 -6.423 1.00 0.00 H new ATOM 621 N MET A 44 -0.348 -10.802 -7.152 1.00 0.00 N ATOM 622 CA MET A 44 0.869 -10.134 -7.598 1.00 0.00 C ATOM 623 C MET A 44 1.320 -9.090 -6.582 1.00 0.00 C ATOM 624 O MET A 44 0.575 -8.166 -6.256 1.00 0.00 O ATOM 625 CB MET A 44 0.644 -9.474 -8.960 1.00 0.00 C ATOM 626 CG MET A 44 1.508 -8.245 -9.190 1.00 0.00 C ATOM 627 SD MET A 44 1.563 -7.749 -10.922 1.00 0.00 S ATOM 628 CE MET A 44 2.635 -6.317 -10.830 1.00 0.00 C ATOM 0 H MET A 44 -0.986 -10.207 -6.624 1.00 0.00 H new ATOM 0 HA MET A 44 1.653 -10.886 -7.692 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.846 -10.202 -9.745 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.405 -9.192 -9.049 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.124 -7.419 -8.592 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.521 -8.447 -8.842 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.766 -5.896 -11.827 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.187 -5.569 -10.176 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.605 -6.614 -10.431 1.00 0.00 H new ATOM 638 N GLU A 45 2.543 -9.243 -6.086 1.00 0.00 N ATOM 639 CA GLU A 45 3.092 -8.312 -5.106 1.00 0.00 C ATOM 640 C GLU A 45 4.004 -7.290 -5.777 1.00 0.00 C ATOM 641 O GLU A 45 4.864 -7.644 -6.585 1.00 0.00 O ATOM 642 CB GLU A 45 3.865 -9.072 -4.026 1.00 0.00 C ATOM 643 CG GLU A 45 4.636 -8.167 -3.080 1.00 0.00 C ATOM 644 CD GLU A 45 5.892 -8.822 -2.540 1.00 0.00 C ATOM 645 OE1 GLU A 45 6.917 -8.820 -3.254 1.00 0.00 O ATOM 646 OE2 GLU A 45 5.851 -9.338 -1.403 1.00 0.00 O ATOM 0 H GLU A 45 3.173 -10.002 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 45 2.261 -7.781 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.166 -9.677 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.561 -9.760 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.905 -7.248 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.992 -7.884 -2.248 1.00 0.00 H new ATOM 653 N THR A 46 3.811 -6.020 -5.438 1.00 0.00 N ATOM 654 CA THR A 46 4.614 -4.945 -6.008 1.00 0.00 C ATOM 655 C THR A 46 5.300 -4.133 -4.916 1.00 0.00 C ATOM 656 O THR A 46 4.697 -3.823 -3.888 1.00 0.00 O ATOM 657 CB THR A 46 3.757 -4.001 -6.872 1.00 0.00 C ATOM 658 OG1 THR A 46 3.036 -4.755 -7.853 1.00 0.00 O ATOM 659 CG2 THR A 46 4.626 -2.961 -7.563 1.00 0.00 C ATOM 0 H THR A 46 3.105 -5.710 -4.771 1.00 0.00 H new ATOM 0 HA THR A 46 5.370 -5.415 -6.637 1.00 0.00 H new ATOM 0 HB THR A 46 3.052 -3.486 -6.219 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.492 -4.148 -8.397 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.998 -2.306 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.151 -2.370 -6.813 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.352 -3.461 -8.204 1.00 0.00 H new ATOM 667 N ILE A 47 6.564 -3.791 -5.145 1.00 0.00 N ATOM 668 CA ILE A 47 7.331 -3.013 -4.181 1.00 0.00 C ATOM 669 C ILE A 47 7.185 -1.517 -4.441 1.00 0.00 C ATOM 670 O ILE A 47 7.793 -0.974 -5.363 1.00 0.00 O ATOM 671 CB ILE A 47 8.825 -3.385 -4.218 1.00 0.00 C ATOM 672 CG1 ILE A 47 9.008 -4.878 -3.937 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.604 -2.551 -3.211 1.00 0.00 C ATOM 674 CD1 ILE A 47 10.372 -5.403 -4.324 1.00 0.00 C ATOM 0 H ILE A 47 7.078 -4.041 -5.990 1.00 0.00 H new ATOM 0 HA ILE A 47 6.930 -3.249 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 47 9.213 -3.172 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.845 -5.062 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.245 -5.437 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.658 -2.826 -3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.495 -1.494 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.217 -2.736 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.430 -6.467 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.531 -5.251 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.140 -4.870 -3.763 1.00 0.00 H new ATOM 686 N TYR A 48 6.376 -0.856 -3.620 1.00 0.00 N ATOM 687 CA TYR A 48 6.149 0.577 -3.760 1.00 0.00 C ATOM 688 C TYR A 48 7.178 1.373 -2.962 1.00 0.00 C ATOM 689 O TYR A 48 7.645 0.928 -1.913 1.00 0.00 O ATOM 690 CB TYR A 48 4.737 0.939 -3.298 1.00 0.00 C ATOM 691 CG TYR A 48 3.651 0.155 -3.999 1.00 0.00 C ATOM 692 CD1 TYR A 48 3.121 0.593 -5.207 1.00 0.00 C ATOM 693 CD2 TYR A 48 3.154 -1.022 -3.454 1.00 0.00 C ATOM 694 CE1 TYR A 48 2.128 -0.120 -5.851 1.00 0.00 C ATOM 695 CE2 TYR A 48 2.162 -1.741 -4.091 1.00 0.00 C ATOM 696 CZ TYR A 48 1.652 -1.286 -5.289 1.00 0.00 C ATOM 697 OH TYR A 48 0.663 -1.999 -5.927 1.00 0.00 O ATOM 0 H TYR A 48 5.867 -1.290 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 48 6.256 0.834 -4.814 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.660 0.769 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.571 2.003 -3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.492 1.506 -5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.550 -1.381 -2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.727 0.234 -6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.788 -2.655 -3.654 1.00 0.00 H new ATOM 0 HH TYR A 48 0.442 -2.795 -5.400 1.00 0.00 H new ATOM 707 N ASP A 49 7.525 2.552 -3.466 1.00 0.00 N ATOM 708 CA ASP A 49 8.496 3.412 -2.800 1.00 0.00 C ATOM 709 C ASP A 49 7.798 4.412 -1.883 1.00 0.00 C ATOM 710 O ASP A 49 6.694 4.872 -2.175 1.00 0.00 O ATOM 711 CB ASP A 49 9.345 4.154 -3.833 1.00 0.00 C ATOM 712 CG ASP A 49 8.528 4.634 -5.016 1.00 0.00 C ATOM 713 OD1 ASP A 49 7.304 4.823 -4.854 1.00 0.00 O ATOM 714 OD2 ASP A 49 9.111 4.821 -6.105 1.00 0.00 O ATOM 0 H ASP A 49 7.148 2.934 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 49 9.146 2.782 -2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.827 5.008 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.139 3.496 -4.186 1.00 0.00 H new ATOM 719 N LEU A 50 8.449 4.743 -0.773 1.00 0.00 N ATOM 720 CA LEU A 50 7.891 5.688 0.187 1.00 0.00 C ATOM 721 C LEU A 50 8.812 6.891 0.366 1.00 0.00 C ATOM 722 O LEU A 50 10.026 6.786 0.203 1.00 0.00 O ATOM 723 CB LEU A 50 7.664 5.002 1.535 1.00 0.00 C ATOM 724 CG LEU A 50 6.963 3.643 1.486 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.895 3.028 2.876 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.569 3.782 0.893 1.00 0.00 C ATOM 0 H LEU A 50 9.363 4.371 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 50 6.935 6.039 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.631 4.873 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.076 5.669 2.165 1.00 0.00 H new ATOM 0 HG LEU A 50 7.543 2.979 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.393 2.062 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.905 2.892 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.338 3.690 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.086 2.805 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.979 4.462 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.642 4.178 -0.120 1.00 0.00 H new ATOM 738 N GLY A 51 8.224 8.035 0.703 1.00 0.00 N ATOM 739 CA GLY A 51 9.007 9.241 0.900 1.00 0.00 C ATOM 740 C GLY A 51 8.914 9.767 2.319 1.00 0.00 C ATOM 741 O GLY A 51 9.126 9.026 3.280 1.00 0.00 O ATOM 0 H GLY A 51 7.220 8.148 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.050 9.037 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.665 10.010 0.207 1.00 0.00 H new ATOM 745 N THR A 52 8.598 11.052 2.453 1.00 0.00 N ATOM 746 CA THR A 52 8.481 11.677 3.765 1.00 0.00 C ATOM 747 C THR A 52 7.024 11.772 4.200 1.00 0.00 C ATOM 748 O THR A 52 6.665 11.352 5.301 1.00 0.00 O ATOM 749 CB THR A 52 9.100 13.087 3.772 1.00 0.00 C ATOM 750 OG1 THR A 52 10.453 13.031 3.307 1.00 0.00 O ATOM 751 CG2 THR A 52 9.063 13.688 5.169 1.00 0.00 C ATOM 0 H THR A 52 8.419 11.680 1.669 1.00 0.00 H new ATOM 0 HA THR A 52 9.026 11.045 4.466 1.00 0.00 H new ATOM 0 HB THR A 52 8.513 13.720 3.106 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.839 13.932 3.313 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.506 14.684 5.149 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.029 13.757 5.508 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.627 13.054 5.853 1.00 0.00 H new ATOM 759 N LYS A 53 6.186 12.325 3.330 1.00 0.00 N ATOM 760 CA LYS A 53 4.765 12.474 3.624 1.00 0.00 C ATOM 761 C LYS A 53 4.097 11.112 3.782 1.00 0.00 C ATOM 762 O LYS A 53 3.378 10.872 4.752 1.00 0.00 O ATOM 763 CB LYS A 53 4.074 13.266 2.512 1.00 0.00 C ATOM 764 CG LYS A 53 4.098 14.769 2.731 1.00 0.00 C ATOM 765 CD LYS A 53 5.413 15.378 2.275 1.00 0.00 C ATOM 766 CE LYS A 53 5.246 16.839 1.887 1.00 0.00 C ATOM 767 NZ LYS A 53 6.369 17.318 1.034 1.00 0.00 N ATOM 0 H LYS A 53 6.466 12.678 2.415 1.00 0.00 H new ATOM 0 HA LYS A 53 4.669 13.018 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.556 13.038 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.038 12.935 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.274 15.230 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.943 14.986 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.150 15.295 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.800 14.817 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.304 16.968 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.188 17.450 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.218 18.318 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.265 17.219 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.409 16.752 0.162 1.00 0.00 H new ATOM 781 N MET A 54 4.341 10.223 2.825 1.00 0.00 N ATOM 782 CA MET A 54 3.765 8.884 2.861 1.00 0.00 C ATOM 783 C MET A 54 4.070 8.196 4.188 1.00 0.00 C ATOM 784 O MET A 54 3.165 7.717 4.872 1.00 0.00 O ATOM 785 CB MET A 54 4.303 8.042 1.702 1.00 0.00 C ATOM 786 CG MET A 54 3.506 8.198 0.417 1.00 0.00 C ATOM 787 SD MET A 54 3.798 6.855 -0.749 1.00 0.00 S ATOM 788 CE MET A 54 2.386 7.036 -1.836 1.00 0.00 C ATOM 0 H MET A 54 4.934 10.406 2.015 1.00 0.00 H new ATOM 0 HA MET A 54 2.684 8.979 2.761 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.340 8.319 1.513 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.302 6.992 1.995 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.443 8.242 0.656 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.766 9.146 -0.054 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.386 6.230 -2.570 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.468 6.992 -1.250 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.443 7.995 -2.350 1.00 0.00 H new ATOM 798 N ILE A 55 5.349 8.150 4.546 1.00 0.00 N ATOM 799 CA ILE A 55 5.771 7.522 5.791 1.00 0.00 C ATOM 800 C ILE A 55 5.128 8.201 6.995 1.00 0.00 C ATOM 801 O ILE A 55 4.469 7.552 7.807 1.00 0.00 O ATOM 802 CB ILE A 55 7.303 7.562 5.951 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.976 6.782 4.819 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.709 6.999 7.304 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.483 6.911 4.810 1.00 0.00 C ATOM 0 H ILE A 55 6.111 8.540 3.991 1.00 0.00 H new ATOM 0 HA ILE A 55 5.445 6.483 5.746 1.00 0.00 H new ATOM 0 HB ILE A 55 7.632 8.600 5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.710 5.729 4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.584 7.132 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.794 7.034 7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.254 7.593 8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.371 5.966 7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.893 6.333 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.758 7.959 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.886 6.534 5.750 1.00 0.00 H new ATOM 817 N GLU A 56 5.324 9.511 7.104 1.00 0.00 N ATOM 818 CA GLU A 56 4.761 10.278 8.209 1.00 0.00 C ATOM 819 C GLU A 56 3.329 9.840 8.502 1.00 0.00 C ATOM 820 O GLU A 56 2.832 10.011 9.615 1.00 0.00 O ATOM 821 CB GLU A 56 4.793 11.774 7.889 1.00 0.00 C ATOM 822 CG GLU A 56 6.074 12.463 8.329 1.00 0.00 C ATOM 823 CD GLU A 56 5.907 13.962 8.483 1.00 0.00 C ATOM 824 OE1 GLU A 56 5.131 14.385 9.365 1.00 0.00 O ATOM 825 OE2 GLU A 56 6.552 14.713 7.722 1.00 0.00 O ATOM 0 H GLU A 56 5.868 10.063 6.441 1.00 0.00 H new ATOM 0 HA GLU A 56 5.368 10.090 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.668 11.910 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.945 12.259 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.403 12.039 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.859 12.262 7.600 1.00 0.00 H new ATOM 832 N SER A 57 2.671 9.276 7.494 1.00 0.00 N ATOM 833 CA SER A 57 1.295 8.817 7.641 1.00 0.00 C ATOM 834 C SER A 57 1.250 7.424 8.260 1.00 0.00 C ATOM 835 O SER A 57 0.488 7.171 9.195 1.00 0.00 O ATOM 836 CB SER A 57 0.590 8.807 6.283 1.00 0.00 C ATOM 837 OG SER A 57 -0.789 8.516 6.426 1.00 0.00 O ATOM 0 H SER A 57 3.069 9.126 6.567 1.00 0.00 H new ATOM 0 HA SER A 57 0.777 9.508 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.712 9.776 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.056 8.066 5.634 1.00 0.00 H new ATOM 0 HG SER A 57 -1.217 8.517 5.544 1.00 0.00 H new ATOM 843 N LEU A 58 2.071 6.522 7.734 1.00 0.00 N ATOM 844 CA LEU A 58 2.127 5.153 8.234 1.00 0.00 C ATOM 845 C LEU A 58 2.496 5.128 9.713 1.00 0.00 C ATOM 846 O LEU A 58 2.402 4.091 10.371 1.00 0.00 O ATOM 847 CB LEU A 58 3.140 4.336 7.430 1.00 0.00 C ATOM 848 CG LEU A 58 2.983 4.380 5.909 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.733 3.227 5.262 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.511 4.345 5.524 1.00 0.00 C ATOM 0 H LEU A 58 2.708 6.714 6.961 1.00 0.00 H new ATOM 0 HA LEU A 58 1.138 4.710 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.141 4.686 7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.076 3.297 7.752 1.00 0.00 H new ATOM 0 HG LEU A 58 3.411 5.314 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.610 3.274 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.792 3.297 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.335 2.282 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.418 4.377 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.058 3.428 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.001 5.205 5.957 1.00 0.00 H new ATOM 862 N THR A 59 2.915 6.278 10.233 1.00 0.00 N ATOM 863 CA THR A 59 3.297 6.389 11.635 1.00 0.00 C ATOM 864 C THR A 59 2.119 6.838 12.492 1.00 0.00 C ATOM 865 O THR A 59 1.956 6.388 13.627 1.00 0.00 O ATOM 866 CB THR A 59 4.461 7.380 11.823 1.00 0.00 C ATOM 867 OG1 THR A 59 4.189 8.595 11.116 1.00 0.00 O ATOM 868 CG2 THR A 59 5.768 6.780 11.328 1.00 0.00 C ATOM 0 H THR A 59 2.998 7.146 9.703 1.00 0.00 H new ATOM 0 HA THR A 59 3.618 5.398 11.955 1.00 0.00 H new ATOM 0 HB THR A 59 4.559 7.594 12.887 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.249 8.609 10.839 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.575 7.498 11.471 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.987 5.872 11.889 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.680 6.540 10.268 1.00 0.00 H new ATOM 876 N LYS A 60 1.298 7.726 11.943 1.00 0.00 N ATOM 877 CA LYS A 60 0.132 8.235 12.656 1.00 0.00 C ATOM 878 C LYS A 60 -0.921 7.145 12.824 1.00 0.00 C ATOM 879 O LYS A 60 -1.649 7.120 13.817 1.00 0.00 O ATOM 880 CB LYS A 60 -0.468 9.428 11.908 1.00 0.00 C ATOM 881 CG LYS A 60 0.218 10.747 12.218 1.00 0.00 C ATOM 882 CD LYS A 60 -0.243 11.849 11.278 1.00 0.00 C ATOM 883 CE LYS A 60 0.089 13.227 11.831 1.00 0.00 C ATOM 884 NZ LYS A 60 1.551 13.505 11.788 1.00 0.00 N ATOM 0 H LYS A 60 1.418 8.109 11.005 1.00 0.00 H new ATOM 0 HA LYS A 60 0.455 8.559 13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.409 9.241 10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.525 9.510 12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.008 11.034 13.248 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.298 10.625 12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.232 11.722 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.319 11.768 11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.442 13.986 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.264 13.300 12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.736 14.453 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.056 12.796 12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.884 13.461 10.804 1.00 0.00 H new ATOM 898 N ASP A 61 -0.996 6.245 11.850 1.00 0.00 N ATOM 899 CA ASP A 61 -1.959 5.151 11.892 1.00 0.00 C ATOM 900 C ASP A 61 -1.327 3.894 12.480 1.00 0.00 C ATOM 901 O ASP A 61 -2.026 2.952 12.855 1.00 0.00 O ATOM 902 CB ASP A 61 -2.493 4.859 10.488 1.00 0.00 C ATOM 903 CG ASP A 61 -1.423 4.993 9.422 1.00 0.00 C ATOM 904 OD1 ASP A 61 -0.226 4.962 9.776 1.00 0.00 O ATOM 905 OD2 ASP A 61 -1.783 5.126 8.234 1.00 0.00 O ATOM 0 H ASP A 61 -0.401 6.251 11.021 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.788 5.453 12.532 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.904 3.850 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.312 5.543 10.265 1.00 0.00 H new ATOM 910 N LYS A 62 -0.001 3.885 12.558 1.00 0.00 N ATOM 911 CA LYS A 62 0.727 2.744 13.101 1.00 0.00 C ATOM 912 C LYS A 62 0.503 1.500 12.248 1.00 0.00 C ATOM 913 O LYS A 62 0.311 0.402 12.772 1.00 0.00 O ATOM 914 CB LYS A 62 0.289 2.473 14.542 1.00 0.00 C ATOM 915 CG LYS A 62 0.652 3.587 15.509 1.00 0.00 C ATOM 916 CD LYS A 62 2.042 3.390 16.090 1.00 0.00 C ATOM 917 CE LYS A 62 2.404 4.504 17.061 1.00 0.00 C ATOM 918 NZ LYS A 62 2.732 5.772 16.353 1.00 0.00 N ATOM 0 H LYS A 62 0.592 4.656 12.252 1.00 0.00 H new ATOM 0 HA LYS A 62 1.790 2.984 13.090 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.790 2.323 14.562 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.746 1.544 14.883 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.604 4.547 14.994 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.079 3.622 16.317 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.090 2.429 16.603 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.774 3.358 15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.572 4.674 17.745 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.256 4.195 17.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.301 6.573 16.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.764 5.897 16.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.361 5.734 15.382 1.00 0.00 H new ATOM 932 N VAL A 63 0.530 1.678 10.931 1.00 0.00 N ATOM 933 CA VAL A 63 0.332 0.569 10.005 1.00 0.00 C ATOM 934 C VAL A 63 1.384 -0.514 10.213 1.00 0.00 C ATOM 935 O VAL A 63 2.557 -0.218 10.442 1.00 0.00 O ATOM 936 CB VAL A 63 0.383 1.044 8.541 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.210 -0.131 7.592 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.677 2.105 8.289 1.00 0.00 C ATOM 0 H VAL A 63 0.687 2.580 10.481 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.656 0.157 10.211 1.00 0.00 H new ATOM 0 HB VAL A 63 1.361 1.488 8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.249 0.224 6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.010 -0.853 7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.753 -0.608 7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.627 2.430 7.250 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.664 1.689 8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.501 2.958 8.944 1.00 0.00 H new ATOM 948 N GLN A 64 0.957 -1.770 10.132 1.00 0.00 N ATOM 949 CA GLN A 64 1.863 -2.898 10.311 1.00 0.00 C ATOM 950 C GLN A 64 1.494 -4.047 9.378 1.00 0.00 C ATOM 951 O GLN A 64 0.389 -4.089 8.837 1.00 0.00 O ATOM 952 CB GLN A 64 1.834 -3.376 11.764 1.00 0.00 C ATOM 953 CG GLN A 64 2.440 -2.384 12.743 1.00 0.00 C ATOM 954 CD GLN A 64 3.933 -2.577 12.922 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.600 -3.167 12.071 1.00 0.00 O ATOM 956 NE2 GLN A 64 4.466 -2.079 14.031 1.00 0.00 N ATOM 0 H GLN A 64 -0.011 -2.032 9.944 1.00 0.00 H new ATOM 0 HA GLN A 64 2.871 -2.564 10.065 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.802 -3.574 12.052 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.372 -4.321 11.838 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.248 -1.370 12.392 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.946 -2.486 13.709 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.875 -1.597 14.709 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.466 -2.178 14.205 1.00 0.00 H new ATOM 965 N ALA A 65 2.426 -4.976 9.195 1.00 0.00 N ATOM 966 CA ALA A 65 2.198 -6.126 8.328 1.00 0.00 C ATOM 967 C ALA A 65 0.975 -6.918 8.778 1.00 0.00 C ATOM 968 O ALA A 65 0.784 -7.161 9.969 1.00 0.00 O ATOM 969 CB ALA A 65 3.428 -7.021 8.304 1.00 0.00 C ATOM 0 H ALA A 65 3.346 -4.955 9.635 1.00 0.00 H new ATOM 0 HA ALA A 65 2.010 -5.758 7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.244 -7.875 7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.282 -6.456 7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.641 -7.373 9.313 1.00 0.00 H new ATOM 975 N GLY A 66 0.147 -7.318 7.817 1.00 0.00 N ATOM 976 CA GLY A 66 -1.048 -8.078 8.135 1.00 0.00 C ATOM 977 C GLY A 66 -2.319 -7.337 7.771 1.00 0.00 C ATOM 978 O GLY A 66 -3.324 -7.953 7.414 1.00 0.00 O ATOM 0 H GLY A 66 0.283 -7.129 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.021 -9.030 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.057 -8.307 9.201 1.00 0.00 H new ATOM 982 N ASP A 67 -2.277 -6.013 7.863 1.00 0.00 N ATOM 983 CA ASP A 67 -3.436 -5.187 7.541 1.00 0.00 C ATOM 984 C ASP A 67 -3.424 -4.785 6.069 1.00 0.00 C ATOM 985 O ASP A 67 -2.412 -4.928 5.383 1.00 0.00 O ATOM 986 CB ASP A 67 -3.459 -3.938 8.424 1.00 0.00 C ATOM 987 CG ASP A 67 -4.228 -4.155 9.712 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.471 -4.043 9.688 1.00 0.00 O ATOM 989 OD2 ASP A 67 -3.585 -4.436 10.745 1.00 0.00 O ATOM 0 H ASP A 67 -1.454 -5.488 8.158 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.335 -5.774 7.731 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.436 -3.644 8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.908 -3.113 7.871 1.00 0.00 H new ATOM 994 N VAL A 68 -4.557 -4.281 5.590 1.00 0.00 N ATOM 995 CA VAL A 68 -4.678 -3.858 4.200 1.00 0.00 C ATOM 996 C VAL A 68 -4.804 -2.343 4.096 1.00 0.00 C ATOM 997 O VAL A 68 -5.807 -1.763 4.513 1.00 0.00 O ATOM 998 CB VAL A 68 -5.895 -4.512 3.518 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.090 -3.948 2.119 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.733 -6.024 3.475 1.00 0.00 C ATOM 0 H VAL A 68 -5.404 -4.156 6.144 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.770 -4.180 3.691 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.785 -4.282 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.954 -4.422 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.255 -2.872 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.201 -4.145 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.602 -6.469 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.834 -6.278 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.647 -6.410 4.491 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.781 -1.707 3.536 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.778 -0.258 3.375 1.00 0.00 C ATOM 1012 C ILE A 69 -3.807 0.132 1.901 1.00 0.00 C ATOM 1013 O ILE A 69 -3.297 -0.593 1.045 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.543 0.380 4.039 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.269 -0.036 3.302 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.467 -0.017 5.506 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.905 0.883 2.157 1.00 0.00 C ATOM 0 H ILE A 69 -2.943 -2.172 3.186 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.677 0.115 3.865 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.636 1.464 3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.442 -0.065 4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.395 -1.048 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.589 0.441 5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.364 0.324 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.393 -1.102 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.008 0.527 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.715 0.893 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.746 1.892 2.537 1.00 0.00 H new ATOM 1029 N THR A 70 -4.405 1.283 1.610 1.00 0.00 N ATOM 1030 CA THR A 70 -4.500 1.770 0.240 1.00 0.00 C ATOM 1031 C THR A 70 -3.411 2.795 -0.055 1.00 0.00 C ATOM 1032 O THR A 70 -2.677 3.210 0.842 1.00 0.00 O ATOM 1033 CB THR A 70 -5.876 2.405 -0.036 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.139 3.439 0.919 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.977 1.357 0.026 1.00 0.00 C ATOM 0 H THR A 70 -4.831 1.895 2.306 1.00 0.00 H new ATOM 0 HA THR A 70 -4.369 0.907 -0.413 1.00 0.00 H new ATOM 0 HB THR A 70 -5.860 2.833 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.015 3.839 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.940 1.828 -0.172 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.789 0.587 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.992 0.903 1.017 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.314 3.201 -1.317 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.315 4.180 -1.729 1.00 0.00 C ATOM 1045 C ILE A 71 -2.864 5.103 -2.812 1.00 0.00 C ATOM 1046 O ILE A 71 -3.029 4.697 -3.963 1.00 0.00 O ATOM 1047 CB ILE A 71 -1.039 3.495 -2.253 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.336 2.744 -1.121 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.104 4.523 -2.874 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.583 1.644 -1.605 1.00 0.00 C ATOM 0 H ILE A 71 -3.914 2.867 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.066 4.768 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.320 2.775 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.241 3.454 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.088 2.313 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.794 4.024 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.608 5.019 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.173 5.263 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.047 1.155 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.008 0.913 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.357 2.071 -2.243 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.145 6.345 -2.435 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.673 7.328 -3.375 1.00 0.00 C ATOM 1064 C ASP A 72 -2.545 8.137 -4.006 1.00 0.00 C ATOM 1065 O ASP A 72 -1.936 8.987 -3.355 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.655 8.264 -2.668 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.734 8.780 -3.599 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -6.729 8.057 -3.813 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -5.583 9.908 -4.115 1.00 0.00 O ATOM 0 H ASP A 72 -3.016 6.696 -1.486 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.198 6.793 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.120 7.737 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.109 9.108 -2.246 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.269 7.867 -5.277 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.214 8.570 -5.998 1.00 0.00 C ATOM 1076 C LYS A 73 -1.585 10.033 -6.216 1.00 0.00 C ATOM 1077 O LYS A 73 -0.741 10.921 -6.100 1.00 0.00 O ATOM 1078 CB LYS A 73 -0.951 7.893 -7.345 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.170 6.596 -7.232 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.016 5.918 -8.583 1.00 0.00 C ATOM 1081 CE LYS A 73 1.226 5.041 -8.628 1.00 0.00 C ATOM 1082 NZ LYS A 73 2.421 5.795 -9.099 1.00 0.00 N ATOM 0 H LYS A 73 -2.762 7.166 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.307 8.530 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.905 7.692 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.403 8.582 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.815 6.799 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.679 5.923 -6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.898 5.312 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.042 6.674 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.421 4.636 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.048 4.193 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.246 5.162 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.246 6.160 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.607 6.589 -8.454 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.853 10.276 -6.531 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.336 11.632 -6.761 1.00 0.00 C ATOM 1098 C ALA A 74 -2.628 12.630 -5.851 1.00 0.00 C ATOM 1099 O ALA A 74 -2.052 13.613 -6.318 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.842 11.699 -6.550 1.00 0.00 C ATOM 0 H ALA A 74 -3.564 9.552 -6.633 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.112 11.900 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.189 12.717 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.337 11.022 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.080 11.406 -5.527 1.00 0.00 H new ATOM 1106 N THR A 75 -2.674 12.371 -4.548 1.00 0.00 N ATOM 1107 CA THR A 75 -2.038 13.246 -3.572 1.00 0.00 C ATOM 1108 C THR A 75 -0.850 12.559 -2.908 1.00 0.00 C ATOM 1109 O THR A 75 0.111 13.213 -2.505 1.00 0.00 O ATOM 1110 CB THR A 75 -3.034 13.690 -2.483 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.456 14.730 -1.686 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.421 12.518 -1.594 1.00 0.00 C ATOM 0 H THR A 75 -3.146 11.562 -4.144 1.00 0.00 H new ATOM 0 HA THR A 75 -1.689 14.124 -4.115 1.00 0.00 H new ATOM 0 HB THR A 75 -3.932 14.065 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.095 15.008 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.125 12.855 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.887 11.740 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.529 12.117 -1.112 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.923 11.236 -2.798 1.00 0.00 N ATOM 1121 CA GLY A 76 0.154 10.483 -2.183 1.00 0.00 C ATOM 1122 C GLY A 76 -0.146 10.111 -0.745 1.00 0.00 C ATOM 1123 O GLY A 76 0.763 9.996 0.078 1.00 0.00 O ATOM 0 H GLY A 76 -1.708 10.673 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.334 9.576 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.071 11.071 -2.219 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.425 9.925 -0.438 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.845 9.564 0.911 1.00 0.00 C ATOM 1129 C LYS A 77 -2.050 8.058 1.033 1.00 0.00 C ATOM 1130 O LYS A 77 -2.263 7.369 0.035 1.00 0.00 O ATOM 1131 CB LYS A 77 -3.137 10.297 1.278 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.906 11.663 1.903 1.00 0.00 C ATOM 1133 CD LYS A 77 -4.015 12.026 2.875 1.00 0.00 C ATOM 1134 CE LYS A 77 -4.215 13.532 2.955 1.00 0.00 C ATOM 1135 NZ LYS A 77 -5.212 14.013 1.958 1.00 0.00 N ATOM 0 H LYS A 77 -2.190 10.018 -1.106 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.056 9.862 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.745 10.415 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.709 9.681 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.948 11.669 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.847 12.418 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.945 11.551 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.775 11.637 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.545 13.802 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.262 14.034 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.320 15.044 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.885 13.778 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.128 13.553 2.134 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.986 7.554 2.261 1.00 0.00 N ATOM 1150 CA ILE A 78 -2.168 6.130 2.512 1.00 0.00 C ATOM 1151 C ILE A 78 -3.134 5.895 3.668 1.00 0.00 C ATOM 1152 O ILE A 78 -2.879 6.309 4.798 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.828 5.439 2.830 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.163 5.649 1.683 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.045 3.955 3.085 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.610 5.630 2.124 1.00 0.00 C ATOM 0 H ILE A 78 -1.810 8.111 3.097 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.583 5.699 1.601 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.410 5.885 3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.010 4.872 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.049 6.603 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.089 3.481 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.720 3.826 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.481 3.494 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.256 5.785 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.779 6.425 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.839 4.667 2.580 1.00 0.00 H new ATOM 1168 N SER A 79 -4.245 5.225 3.376 1.00 0.00 N ATOM 1169 CA SER A 79 -5.252 4.935 4.390 1.00 0.00 C ATOM 1170 C SER A 79 -5.247 3.453 4.753 1.00 0.00 C ATOM 1171 O SER A 79 -4.853 2.606 3.951 1.00 0.00 O ATOM 1172 CB SER A 79 -6.639 5.345 3.893 1.00 0.00 C ATOM 1173 OG SER A 79 -6.762 6.756 3.830 1.00 0.00 O ATOM 0 H SER A 79 -4.470 4.873 2.445 1.00 0.00 H new ATOM 0 HA SER A 79 -5.009 5.511 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.816 4.917 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.402 4.940 4.558 1.00 0.00 H new ATOM 0 HG SER A 79 -7.657 6.992 3.508 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.687 3.147 5.969 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.736 1.768 6.440 1.00 0.00 C ATOM 1181 C LYS A 80 -7.145 1.198 6.312 1.00 0.00 C ATOM 1182 O LYS A 80 -8.132 1.902 6.526 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.274 1.689 7.897 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.731 0.326 8.291 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.067 0.363 9.657 1.00 0.00 C ATOM 1186 CE LYS A 80 -4.158 -0.983 10.358 1.00 0.00 C ATOM 1187 NZ LYS A 80 -3.743 -0.895 11.785 1.00 0.00 N ATOM 0 H LYS A 80 -6.015 3.836 6.646 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.065 1.175 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.503 2.440 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.111 1.939 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.543 -0.401 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.011 -0.009 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.020 0.647 9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.541 1.128 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.181 -1.354 10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.527 -1.705 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.819 -1.833 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.758 -0.565 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.361 -0.225 12.286 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.231 -0.080 5.961 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.520 -0.746 5.806 1.00 0.00 C ATOM 1203 C LEU A 81 -8.596 -1.995 6.677 1.00 0.00 C ATOM 1204 O LEU A 81 -7.606 -2.404 7.282 1.00 0.00 O ATOM 1205 CB LEU A 81 -8.750 -1.117 4.340 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.153 -0.164 3.304 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.290 -0.742 1.904 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.823 1.201 3.387 1.00 0.00 C ATOM 0 H LEU A 81 -6.424 -0.676 5.778 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.300 -0.055 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.338 -2.112 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.824 -1.183 4.167 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.092 -0.041 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.859 -0.049 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.764 -1.695 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.345 -0.896 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.386 1.867 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.891 1.094 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.672 1.620 4.382 1.00 0.00 H new ATOM 1220 N GLY A 82 -9.780 -2.599 6.734 1.00 0.00 N ATOM 1221 CA GLY A 82 -9.963 -3.798 7.532 1.00 0.00 C ATOM 1222 C GLY A 82 -8.832 -4.791 7.354 1.00 0.00 C ATOM 1223 O GLY A 82 -8.328 -4.977 6.246 1.00 0.00 O ATOM 0 H GLY A 82 -10.615 -2.280 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.038 -3.523 8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.905 -4.272 7.258 1.00 0.00 H new ATOM 1227 N ARG A 83 -8.431 -5.430 8.448 1.00 0.00 N ATOM 1228 CA ARG A 83 -7.350 -6.407 8.409 1.00 0.00 C ATOM 1229 C ARG A 83 -7.376 -7.195 7.102 1.00 0.00 C ATOM 1230 O ARG A 83 -6.333 -7.603 6.591 1.00 0.00 O ATOM 1231 CB ARG A 83 -7.457 -7.366 9.596 1.00 0.00 C ATOM 1232 CG ARG A 83 -8.568 -8.393 9.452 1.00 0.00 C ATOM 1233 CD ARG A 83 -9.917 -7.813 9.845 1.00 0.00 C ATOM 1234 NE ARG A 83 -10.083 -7.745 11.294 1.00 0.00 N ATOM 1235 CZ ARG A 83 -10.453 -8.779 12.041 1.00 0.00 C ATOM 1236 NH1 ARG A 83 -10.695 -9.955 11.478 1.00 0.00 N ATOM 1237 NH2 ARG A 83 -10.582 -8.639 13.354 1.00 0.00 N ATOM 0 H ARG A 83 -8.839 -5.289 9.372 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.405 -5.868 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.507 -7.886 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.624 -6.788 10.505 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.608 -8.745 8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.347 -9.259 10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.019 -6.814 9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.712 -8.423 9.417 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.905 -6.854 11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.597 -10.067 10.469 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.979 -10.747 12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.397 -7.736 13.791 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.866 -9.434 13.926 1.00 0.00 H new ATOM 1251 N SER A 84 -8.574 -7.404 6.567 1.00 0.00 N ATOM 1252 CA SER A 84 -8.737 -8.146 5.322 1.00 0.00 C ATOM 1253 C SER A 84 -10.177 -8.063 4.825 1.00 0.00 C ATOM 1254 O SER A 84 -11.122 -8.120 5.611 1.00 0.00 O ATOM 1255 CB SER A 84 -8.337 -9.609 5.520 1.00 0.00 C ATOM 1256 OG SER A 84 -6.928 -9.760 5.503 1.00 0.00 O ATOM 0 H SER A 84 -9.447 -7.070 6.976 1.00 0.00 H new ATOM 0 HA SER A 84 -8.086 -7.697 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.733 -9.972 6.468 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.781 -10.220 4.734 1.00 0.00 H new ATOM 0 HG SER A 84 -6.504 -8.879 5.567 1.00 0.00 H new ATOM 1262 N PHE A 85 -10.336 -7.928 3.512 1.00 0.00 N ATOM 1263 CA PHE A 85 -11.659 -7.837 2.908 1.00 0.00 C ATOM 1264 C PHE A 85 -12.202 -9.223 2.573 1.00 0.00 C ATOM 1265 O PHE A 85 -11.974 -9.745 1.481 1.00 0.00 O ATOM 1266 CB PHE A 85 -11.607 -6.978 1.642 1.00 0.00 C ATOM 1267 CG PHE A 85 -10.414 -7.260 0.775 1.00 0.00 C ATOM 1268 CD1 PHE A 85 -9.190 -6.668 1.044 1.00 0.00 C ATOM 1269 CD2 PHE A 85 -10.515 -8.117 -0.308 1.00 0.00 C ATOM 1270 CE1 PHE A 85 -8.091 -6.925 0.247 1.00 0.00 C ATOM 1271 CE2 PHE A 85 -9.419 -8.378 -1.109 1.00 0.00 C ATOM 1272 CZ PHE A 85 -8.205 -7.782 -0.830 1.00 0.00 C ATOM 0 H PHE A 85 -9.564 -7.879 2.847 1.00 0.00 H new ATOM 0 HA PHE A 85 -12.328 -7.369 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.515 -7.144 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.599 -5.926 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -9.094 -5.998 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -11.462 -8.587 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.143 -6.456 0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.512 -9.047 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.346 -7.986 -1.453 1.00 0.00 H new ATOM 1282 N THR A 86 -12.921 -9.816 3.521 1.00 0.00 N ATOM 1283 CA THR A 86 -13.495 -11.142 3.329 1.00 0.00 C ATOM 1284 C THR A 86 -14.852 -11.258 4.012 1.00 0.00 C ATOM 1285 O THR A 86 -15.141 -10.536 4.967 1.00 0.00 O ATOM 1286 CB THR A 86 -12.563 -12.241 3.874 1.00 0.00 C ATOM 1287 OG1 THR A 86 -11.211 -11.974 3.486 1.00 0.00 O ATOM 1288 CG2 THR A 86 -12.983 -13.610 3.359 1.00 0.00 C ATOM 0 H THR A 86 -13.120 -9.398 4.430 1.00 0.00 H new ATOM 0 HA THR A 86 -13.619 -11.280 2.255 1.00 0.00 H new ATOM 0 HB THR A 86 -12.635 -12.241 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.625 -12.676 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 86 -12.311 -14.370 3.757 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.002 -13.823 3.681 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.937 -13.619 2.270 1.00 0.00 H new ATOM 1296 N ARG A 87 -15.682 -12.170 3.518 1.00 0.00 N ATOM 1297 CA ARG A 87 -17.011 -12.380 4.081 1.00 0.00 C ATOM 1298 C ARG A 87 -17.189 -13.827 4.530 1.00 0.00 C ATOM 1299 O ARG A 87 -18.212 -14.452 4.252 1.00 0.00 O ATOM 1300 CB ARG A 87 -18.086 -12.017 3.055 1.00 0.00 C ATOM 1301 CG ARG A 87 -17.971 -10.595 2.529 1.00 0.00 C ATOM 1302 CD ARG A 87 -18.526 -10.477 1.118 1.00 0.00 C ATOM 1303 NE ARG A 87 -17.785 -11.301 0.167 1.00 0.00 N ATOM 1304 CZ ARG A 87 -17.779 -11.085 -1.144 1.00 0.00 C ATOM 1305 NH1 ARG A 87 -18.472 -10.077 -1.656 1.00 0.00 N ATOM 1306 NH2 ARG A 87 -17.080 -11.878 -1.945 1.00 0.00 N ATOM 0 H ARG A 87 -15.458 -12.776 2.729 1.00 0.00 H new ATOM 0 HA ARG A 87 -17.116 -11.732 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -18.026 -12.711 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.068 -12.149 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -18.509 -9.916 3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -16.926 -10.286 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -19.575 -10.774 1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -18.489 -9.435 0.800 1.00 0.00 H new ATOM 0 HE ARG A 87 -17.242 -12.085 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -19.011 -9.465 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.466 -9.913 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.546 -12.655 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.076 -11.711 -2.951 1.00 0.00 H new ATOM 1320 N ALA A 88 -16.186 -14.353 5.225 1.00 0.00 N ATOM 1321 CA ALA A 88 -16.232 -15.726 5.713 1.00 0.00 C ATOM 1322 C ALA A 88 -16.322 -15.764 7.235 1.00 0.00 C ATOM 1323 O ALA A 88 -16.063 -14.765 7.907 1.00 0.00 O ATOM 1324 CB ALA A 88 -15.011 -16.498 5.235 1.00 0.00 C ATOM 0 H ALA A 88 -15.332 -13.849 5.463 1.00 0.00 H new ATOM 0 HA ALA A 88 -17.127 -16.199 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.059 -17.521 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -14.991 -16.509 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.107 -16.018 5.610 1.00 0.00 H new ATOM 1330 N ARG A 89 -16.690 -16.923 7.772 1.00 0.00 N ATOM 1331 CA ARG A 89 -16.816 -17.090 9.215 1.00 0.00 C ATOM 1332 C ARG A 89 -16.048 -18.321 9.689 1.00 0.00 C ATOM 1333 O ARG A 89 -16.010 -19.343 9.003 1.00 0.00 O ATOM 1334 CB ARG A 89 -18.289 -17.211 9.610 1.00 0.00 C ATOM 1335 CG ARG A 89 -19.012 -18.356 8.919 1.00 0.00 C ATOM 1336 CD ARG A 89 -18.879 -19.652 9.702 1.00 0.00 C ATOM 1337 NE ARG A 89 -19.847 -19.734 10.793 1.00 0.00 N ATOM 1338 CZ ARG A 89 -19.578 -19.374 12.043 1.00 0.00 C ATOM 1339 NH1 ARG A 89 -18.377 -18.909 12.359 1.00 0.00 N ATOM 1340 NH2 ARG A 89 -20.512 -19.478 12.980 1.00 0.00 N ATOM 0 H ARG A 89 -16.906 -17.760 7.230 1.00 0.00 H new ATOM 0 HA ARG A 89 -16.390 -16.209 9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -18.357 -17.348 10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -18.798 -16.276 9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -20.067 -18.105 8.804 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -18.606 -18.492 7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -19.019 -20.498 9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -17.870 -19.729 10.106 1.00 0.00 H new ATOM 0 HE ARG A 89 -20.781 -20.087 10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -17.657 -18.827 11.641 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -18.173 -18.633 13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -21.437 -19.835 12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -20.305 -19.201 13.940 1.00 0.00 H new ATOM 1354 N SER A 90 -15.437 -18.215 10.864 1.00 0.00 N ATOM 1355 CA SER A 90 -14.667 -19.317 11.428 1.00 0.00 C ATOM 1356 C SER A 90 -14.334 -19.055 12.893 1.00 0.00 C ATOM 1357 O SER A 90 -14.108 -17.914 13.295 1.00 0.00 O ATOM 1358 CB SER A 90 -13.378 -19.527 10.630 1.00 0.00 C ATOM 1359 OG SER A 90 -12.617 -20.597 11.162 1.00 0.00 O ATOM 0 H SER A 90 -15.460 -17.377 11.444 1.00 0.00 H new ATOM 0 HA SER A 90 -15.275 -20.220 11.368 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.621 -19.733 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.785 -18.613 10.644 1.00 0.00 H new ATOM 0 HG SER A 90 -11.800 -20.712 10.633 1.00 0.00 H new ATOM 1365 N GLY A 91 -14.306 -20.121 13.687 1.00 0.00 N ATOM 1366 CA GLY A 91 -14.001 -19.986 15.100 1.00 0.00 C ATOM 1367 C GLY A 91 -14.433 -21.195 15.905 1.00 0.00 C ATOM 1368 O GLY A 91 -13.755 -22.222 15.935 1.00 0.00 O ATOM 0 H GLY A 91 -14.489 -21.075 13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.929 -19.835 15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.495 -19.097 15.492 1.00 0.00 H new ATOM 1372 N PRO A 92 -15.588 -21.080 16.578 1.00 0.00 N ATOM 1373 CA PRO A 92 -16.136 -22.163 17.400 1.00 0.00 C ATOM 1374 C PRO A 92 -16.628 -23.337 16.560 1.00 0.00 C ATOM 1375 O PRO A 92 -17.552 -23.195 15.759 1.00 0.00 O ATOM 1376 CB PRO A 92 -17.307 -21.498 18.128 1.00 0.00 C ATOM 1377 CG PRO A 92 -17.711 -20.370 17.243 1.00 0.00 C ATOM 1378 CD PRO A 92 -16.448 -19.885 16.586 1.00 0.00 C ATOM 0 HA PRO A 92 -15.386 -22.587 18.068 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.129 -22.198 18.278 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -17.009 -21.141 19.114 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.436 -20.699 16.499 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.183 -19.573 17.818 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.635 -19.518 15.577 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -15.993 -19.066 17.144 1.00 0.00 H new ATOM 1386 N SER A 93 -16.005 -24.496 16.749 1.00 0.00 N ATOM 1387 CA SER A 93 -16.378 -25.694 16.006 1.00 0.00 C ATOM 1388 C SER A 93 -16.902 -26.775 16.947 1.00 0.00 C ATOM 1389 O SER A 93 -18.039 -27.228 16.818 1.00 0.00 O ATOM 1390 CB SER A 93 -15.180 -26.225 15.218 1.00 0.00 C ATOM 1391 OG SER A 93 -14.671 -25.238 14.337 1.00 0.00 O ATOM 0 H SER A 93 -15.240 -24.631 17.410 1.00 0.00 H new ATOM 0 HA SER A 93 -17.172 -25.427 15.309 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.397 -26.539 15.908 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.476 -27.106 14.649 1.00 0.00 H new ATOM 0 HG SER A 93 -13.905 -25.602 13.846 1.00 0.00 H new ATOM 1397 N SER A 94 -16.062 -27.185 17.893 1.00 0.00 N ATOM 1398 CA SER A 94 -16.438 -28.216 18.853 1.00 0.00 C ATOM 1399 C SER A 94 -17.791 -27.904 19.485 1.00 0.00 C ATOM 1400 O SER A 94 -18.706 -28.724 19.456 1.00 0.00 O ATOM 1401 CB SER A 94 -15.370 -28.341 19.942 1.00 0.00 C ATOM 1402 OG SER A 94 -15.154 -27.099 20.589 1.00 0.00 O ATOM 0 H SER A 94 -15.118 -26.819 18.015 1.00 0.00 H new ATOM 0 HA SER A 94 -16.517 -29.163 18.319 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.678 -29.087 20.674 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.437 -28.693 19.502 1.00 0.00 H new ATOM 0 HG SER A 94 -14.469 -27.206 21.281 1.00 0.00 H new ATOM 1408 N GLY A 95 -17.908 -26.709 20.056 1.00 0.00 N ATOM 1409 CA GLY A 95 -19.151 -26.307 20.688 1.00 0.00 C ATOM 1410 C GLY A 95 -20.202 -25.881 19.681 1.00 0.00 C ATOM 1411 O GLY A 95 -21.324 -26.387 19.693 1.00 0.00 O ATOM 0 H GLY A 95 -17.164 -26.012 20.092 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.537 -27.135 21.283 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.956 -25.484 21.375 1.00 0.00 H new TER 1415 GLY A 95