USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 73 CYS SG : rot 180:sc= -1.49 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0259 (180deg=-0.297) USER MOD Single : A 3 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.27) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.0034) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 34:sc= 0.157 USER MOD Single : A 10 HIS : no HE2:sc= -0.58 K(o=-0.58,f=-2.2) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.3) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.172 F(o=-2.3!,f=-0.17) USER MOD Single : A 29 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 33 SER OG : rot -77:sc= 0.141 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.551 F(o=-2,f=-0.55) USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= 1.15 (180deg=-0.0208) USER MOD Single : A 44 CYS SG : rot -31:sc= -1.22 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 48 LYS NZ :NH3+ -115:sc= -0.433 (180deg=-2.32!) USER MOD Single : A 52 ASN : amide:sc= -0.0892 X(o=-0.089,f=-0.0079) USER MOD Single : A 53 GLN : amide:sc= 0.238 X(o=0.24,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -130:sc= -2.07 (180deg=-6.11!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= -0.384 (180deg=-0.4) USER MOD Single : A 65 SER OG : rot 180:sc= -0.674 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.905 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.426 -16.384 -25.311 1.00 0.00 N ATOM 2 CA MET A 1 -15.895 -17.454 -26.195 1.00 0.00 C ATOM 3 C MET A 1 -14.383 -17.246 -26.402 1.00 0.00 C ATOM 4 O MET A 1 -13.575 -18.104 -26.042 1.00 0.00 O ATOM 5 CB MET A 1 -16.656 -17.465 -27.551 1.00 0.00 C ATOM 6 CG MET A 1 -18.163 -17.700 -27.421 1.00 0.00 C ATOM 7 SD MET A 1 -19.028 -17.577 -29.003 1.00 0.00 S ATOM 8 CE MET A 1 -20.720 -17.899 -28.518 1.00 0.00 C ATOM 0 H1 MET A 1 -17.376 -16.647 -24.979 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.794 -16.264 -24.494 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.480 -15.491 -25.841 1.00 0.00 H new ATOM 0 HA MET A 1 -16.049 -18.425 -25.724 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.490 -16.513 -28.056 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.232 -18.242 -28.187 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.337 -18.687 -26.992 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.581 -16.972 -26.726 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.365 -17.855 -29.396 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.787 -18.889 -28.068 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.040 -17.149 -27.794 1.00 0.00 H new ATOM 20 N GLY A 2 -14.020 -16.083 -26.971 1.00 0.00 N ATOM 21 CA GLY A 2 -12.619 -15.703 -27.194 1.00 0.00 C ATOM 22 C GLY A 2 -11.954 -15.087 -25.957 1.00 0.00 C ATOM 23 O GLY A 2 -10.725 -14.903 -25.947 1.00 0.00 O ATOM 0 H GLY A 2 -14.691 -15.383 -27.288 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -12.055 -16.584 -27.500 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.570 -14.991 -28.017 1.00 0.00 H new ATOM 27 N HIS A 3 -12.784 -14.731 -24.944 1.00 0.00 N ATOM 28 CA HIS A 3 -12.327 -14.202 -23.624 1.00 0.00 C ATOM 29 C HIS A 3 -11.621 -12.816 -23.743 1.00 0.00 C ATOM 30 O HIS A 3 -11.112 -12.293 -22.753 1.00 0.00 O ATOM 31 CB HIS A 3 -11.437 -15.269 -22.898 1.00 0.00 C ATOM 32 CG HIS A 3 -10.948 -14.901 -21.515 1.00 0.00 C ATOM 33 ND1 HIS A 3 -11.762 -14.335 -20.560 1.00 0.00 N ATOM 34 CD2 HIS A 3 -9.712 -14.957 -20.960 1.00 0.00 C ATOM 35 CE1 HIS A 3 -11.055 -14.055 -19.490 1.00 0.00 C ATOM 36 NE2 HIS A 3 -9.805 -14.425 -19.707 1.00 0.00 N ATOM 0 H HIS A 3 -13.799 -14.802 -25.016 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.209 -14.021 -23.010 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.005 -16.196 -22.825 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.569 -15.475 -23.525 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.819 -15.350 -21.424 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.431 -13.600 -18.586 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.035 -14.329 -19.045 1.00 0.00 H new ATOM 45 N HIS A 4 -11.694 -12.199 -24.950 1.00 0.00 N ATOM 46 CA HIS A 4 -10.892 -11.016 -25.350 1.00 0.00 C ATOM 47 C HIS A 4 -9.400 -11.411 -25.446 1.00 0.00 C ATOM 48 O HIS A 4 -8.840 -11.516 -26.541 1.00 0.00 O ATOM 49 CB HIS A 4 -11.110 -9.784 -24.412 1.00 0.00 C ATOM 50 CG HIS A 4 -12.527 -9.271 -24.385 1.00 0.00 C ATOM 51 ND1 HIS A 4 -13.002 -8.341 -25.279 1.00 0.00 N ATOM 52 CD2 HIS A 4 -13.563 -9.547 -23.552 1.00 0.00 C ATOM 53 CE1 HIS A 4 -14.260 -8.064 -24.998 1.00 0.00 C ATOM 54 NE2 HIS A 4 -14.624 -8.785 -23.955 1.00 0.00 N ATOM 0 H HIS A 4 -12.325 -12.517 -25.686 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.239 -10.694 -26.332 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -10.815 -10.056 -23.399 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -10.450 -8.978 -24.731 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.551 -10.240 -22.724 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.887 -7.365 -25.532 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.547 -8.775 -23.520 1.00 0.00 H new ATOM 63 N HIS A 5 -8.779 -11.647 -24.275 1.00 0.00 N ATOM 64 CA HIS A 5 -7.397 -12.141 -24.165 1.00 0.00 C ATOM 65 C HIS A 5 -7.402 -13.673 -24.276 1.00 0.00 C ATOM 66 O HIS A 5 -8.189 -14.345 -23.608 1.00 0.00 O ATOM 67 CB HIS A 5 -6.752 -11.680 -22.828 1.00 0.00 C ATOM 68 CG HIS A 5 -6.570 -10.186 -22.724 1.00 0.00 C ATOM 69 ND1 HIS A 5 -5.340 -9.578 -22.614 1.00 0.00 N ATOM 70 CD2 HIS A 5 -7.478 -9.182 -22.724 1.00 0.00 C ATOM 71 CE1 HIS A 5 -5.501 -8.272 -22.552 1.00 0.00 C ATOM 72 NE2 HIS A 5 -6.787 -8.006 -22.617 1.00 0.00 N ATOM 0 H HIS A 5 -9.228 -11.498 -23.371 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.798 -11.726 -24.975 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.373 -12.020 -21.999 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -5.781 -12.164 -22.718 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.550 -9.289 -22.795 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.710 -7.542 -22.463 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.202 -7.075 -22.592 1.00 0.00 H new ATOM 81 N HIS A 6 -6.526 -14.209 -25.142 1.00 0.00 N ATOM 82 CA HIS A 6 -6.479 -15.659 -25.453 1.00 0.00 C ATOM 83 C HIS A 6 -5.680 -16.448 -24.404 1.00 0.00 C ATOM 84 O HIS A 6 -5.746 -17.675 -24.372 1.00 0.00 O ATOM 85 CB HIS A 6 -5.906 -15.903 -26.878 1.00 0.00 C ATOM 86 CG HIS A 6 -6.783 -15.402 -27.997 1.00 0.00 C ATOM 87 ND1 HIS A 6 -7.106 -16.164 -29.098 1.00 0.00 N ATOM 88 CD2 HIS A 6 -7.375 -14.199 -28.195 1.00 0.00 C ATOM 89 CE1 HIS A 6 -7.848 -15.449 -29.919 1.00 0.00 C ATOM 90 NE2 HIS A 6 -8.029 -14.255 -29.395 1.00 0.00 N ATOM 0 H HIS A 6 -5.832 -13.658 -25.647 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.505 -16.026 -25.424 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.932 -15.420 -26.952 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.742 -16.972 -27.012 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.337 -13.351 -27.527 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.243 -15.787 -30.866 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.568 -13.497 -29.814 1.00 0.00 H new ATOM 99 N HIS A 7 -4.913 -15.745 -23.557 1.00 0.00 N ATOM 100 CA HIS A 7 -4.179 -16.370 -22.438 1.00 0.00 C ATOM 101 C HIS A 7 -5.017 -16.238 -21.158 1.00 0.00 C ATOM 102 O HIS A 7 -5.265 -15.122 -20.691 1.00 0.00 O ATOM 103 CB HIS A 7 -2.779 -15.723 -22.246 1.00 0.00 C ATOM 104 CG HIS A 7 -1.850 -15.868 -23.431 1.00 0.00 C ATOM 105 ND1 HIS A 7 -0.786 -16.741 -23.454 1.00 0.00 N ATOM 106 CD2 HIS A 7 -1.822 -15.229 -24.627 1.00 0.00 C ATOM 107 CE1 HIS A 7 -0.150 -16.627 -24.603 1.00 0.00 C ATOM 108 NE2 HIS A 7 -0.758 -15.714 -25.332 1.00 0.00 N ATOM 0 H HIS A 7 -4.782 -14.736 -23.624 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.017 -17.424 -22.665 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.910 -14.662 -22.031 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.304 -16.169 -21.372 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.516 -14.473 -24.962 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.724 -17.189 -24.898 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.480 -15.418 -26.268 1.00 0.00 H new ATOM 117 N HIS A 8 -5.476 -17.394 -20.629 1.00 0.00 N ATOM 118 CA HIS A 8 -6.256 -17.475 -19.368 1.00 0.00 C ATOM 119 C HIS A 8 -5.403 -17.029 -18.165 1.00 0.00 C ATOM 120 O HIS A 8 -5.940 -16.528 -17.167 1.00 0.00 O ATOM 121 CB HIS A 8 -6.769 -18.927 -19.146 1.00 0.00 C ATOM 122 CG HIS A 8 -7.598 -19.123 -17.895 1.00 0.00 C ATOM 123 ND1 HIS A 8 -8.944 -18.835 -17.838 1.00 0.00 N ATOM 124 CD2 HIS A 8 -7.267 -19.575 -16.652 1.00 0.00 C ATOM 125 CE1 HIS A 8 -9.400 -19.100 -16.630 1.00 0.00 C ATOM 126 NE2 HIS A 8 -8.406 -19.549 -15.895 1.00 0.00 N ATOM 0 H HIS A 8 -5.317 -18.302 -21.065 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.110 -16.803 -19.453 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.365 -19.223 -20.010 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.911 -19.598 -19.105 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.288 -19.894 -16.326 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.420 -18.970 -16.299 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -8.474 -19.832 -14.917 1.00 0.00 H new ATOM 135 N SER A 9 -4.081 -17.238 -18.284 1.00 0.00 N ATOM 136 CA SER A 9 -3.092 -16.868 -17.265 1.00 0.00 C ATOM 137 C SER A 9 -3.175 -15.363 -16.942 1.00 0.00 C ATOM 138 O SER A 9 -2.983 -14.520 -17.824 1.00 0.00 O ATOM 139 CB SER A 9 -1.682 -17.243 -17.772 1.00 0.00 C ATOM 140 OG SER A 9 -1.446 -16.698 -19.058 1.00 0.00 O ATOM 0 H SER A 9 -3.666 -17.676 -19.106 1.00 0.00 H new ATOM 0 HA SER A 9 -3.301 -17.413 -16.345 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.930 -16.876 -17.073 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.581 -18.328 -17.808 1.00 0.00 H new ATOM 0 HG SER A 9 -1.896 -15.831 -19.133 1.00 0.00 H new ATOM 146 N HIS A 10 -3.484 -15.061 -15.670 1.00 0.00 N ATOM 147 CA HIS A 10 -3.626 -13.680 -15.160 1.00 0.00 C ATOM 148 C HIS A 10 -2.262 -12.941 -15.131 1.00 0.00 C ATOM 149 O HIS A 10 -2.236 -11.709 -15.068 1.00 0.00 O ATOM 150 CB HIS A 10 -4.265 -13.722 -13.740 1.00 0.00 C ATOM 151 CG HIS A 10 -4.455 -12.377 -13.084 1.00 0.00 C ATOM 152 ND1 HIS A 10 -3.585 -11.865 -12.144 1.00 0.00 N ATOM 153 CD2 HIS A 10 -5.425 -11.440 -13.237 1.00 0.00 C ATOM 154 CE1 HIS A 10 -4.012 -10.684 -11.753 1.00 0.00 C ATOM 155 NE2 HIS A 10 -5.124 -10.400 -12.401 1.00 0.00 N ATOM 0 H HIS A 10 -3.644 -15.773 -14.957 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.276 -13.122 -15.834 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.234 -14.215 -13.809 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.639 -14.338 -13.095 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -2.742 -12.330 -11.805 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.277 -11.504 -13.897 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.531 -10.051 -11.022 1.00 0.00 H new ATOM 164 N MET A 11 -1.160 -13.723 -15.200 1.00 0.00 N ATOM 165 CA MET A 11 0.227 -13.243 -15.017 1.00 0.00 C ATOM 166 C MET A 11 0.415 -12.812 -13.560 1.00 0.00 C ATOM 167 O MET A 11 0.121 -11.667 -13.205 1.00 0.00 O ATOM 168 CB MET A 11 0.620 -12.116 -16.018 1.00 0.00 C ATOM 169 CG MET A 11 2.004 -11.477 -15.774 1.00 0.00 C ATOM 170 SD MET A 11 3.326 -12.701 -15.695 1.00 0.00 S ATOM 171 CE MET A 11 4.724 -11.696 -15.222 1.00 0.00 C ATOM 0 H MET A 11 -1.212 -14.724 -15.388 1.00 0.00 H new ATOM 0 HA MET A 11 0.907 -14.065 -15.241 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.599 -12.525 -17.028 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.137 -11.333 -15.975 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.218 -10.767 -16.572 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.980 -10.912 -14.842 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.611 -12.324 -15.136 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.894 -10.930 -15.978 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.522 -11.220 -14.262 1.00 0.00 H new ATOM 181 N ALA A 12 0.846 -13.781 -12.730 1.00 0.00 N ATOM 182 CA ALA A 12 1.041 -13.619 -11.283 1.00 0.00 C ATOM 183 C ALA A 12 -0.298 -13.363 -10.567 1.00 0.00 C ATOM 184 O ALA A 12 -0.860 -12.269 -10.646 1.00 0.00 O ATOM 185 CB ALA A 12 2.081 -12.530 -10.962 1.00 0.00 C ATOM 0 H ALA A 12 1.073 -14.720 -13.059 1.00 0.00 H new ATOM 0 HA ALA A 12 1.443 -14.557 -10.900 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.195 -12.443 -9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.039 -12.799 -11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.747 -11.576 -11.370 1.00 0.00 H new ATOM 191 N ASP A 13 -0.808 -14.401 -9.889 1.00 0.00 N ATOM 192 CA ASP A 13 -2.104 -14.366 -9.207 1.00 0.00 C ATOM 193 C ASP A 13 -2.077 -15.242 -7.935 1.00 0.00 C ATOM 194 O ASP A 13 -2.175 -16.465 -8.001 1.00 0.00 O ATOM 195 CB ASP A 13 -3.259 -14.776 -10.181 1.00 0.00 C ATOM 196 CG ASP A 13 -3.001 -16.081 -10.966 1.00 0.00 C ATOM 197 OD1 ASP A 13 -2.365 -16.025 -12.046 1.00 0.00 O ATOM 198 OD2 ASP A 13 -3.428 -17.160 -10.517 1.00 0.00 O ATOM 0 H ASP A 13 -0.326 -15.295 -9.799 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.301 -13.342 -8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.179 -14.888 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.423 -13.966 -10.891 1.00 0.00 H new ATOM 203 N PRO A 14 -1.863 -14.620 -6.742 1.00 0.00 N ATOM 204 CA PRO A 14 -2.244 -15.213 -5.434 1.00 0.00 C ATOM 205 C PRO A 14 -3.707 -14.828 -5.042 1.00 0.00 C ATOM 206 O PRO A 14 -4.139 -15.022 -3.907 1.00 0.00 O ATOM 207 CB PRO A 14 -1.182 -14.601 -4.464 1.00 0.00 C ATOM 208 CG PRO A 14 -0.334 -13.658 -5.299 1.00 0.00 C ATOM 209 CD PRO A 14 -1.154 -13.338 -6.528 1.00 0.00 C ATOM 0 HA PRO A 14 -2.244 -16.303 -5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.665 -14.067 -3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.568 -15.383 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.095 -12.752 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.613 -14.123 -5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.843 -12.510 -6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.530 -13.065 -7.379 1.00 0.00 H new ATOM 217 N GLY A 15 -4.421 -14.284 -6.046 1.00 0.00 N ATOM 218 CA GLY A 15 -5.794 -13.812 -5.928 1.00 0.00 C ATOM 219 C GLY A 15 -5.918 -12.603 -5.009 1.00 0.00 C ATOM 220 O GLY A 15 -5.900 -11.461 -5.483 1.00 0.00 O ATOM 0 H GLY A 15 -4.038 -14.162 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.172 -13.553 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.421 -14.619 -5.548 1.00 0.00 H new ATOM 224 N ARG A 16 -6.014 -12.870 -3.681 1.00 0.00 N ATOM 225 CA ARG A 16 -6.139 -11.824 -2.652 1.00 0.00 C ATOM 226 C ARG A 16 -4.973 -10.852 -2.722 1.00 0.00 C ATOM 227 O ARG A 16 -5.202 -9.668 -2.817 1.00 0.00 O ATOM 228 CB ARG A 16 -6.212 -12.400 -1.219 1.00 0.00 C ATOM 229 CG ARG A 16 -7.516 -13.132 -0.865 1.00 0.00 C ATOM 230 CD ARG A 16 -7.564 -13.540 0.616 1.00 0.00 C ATOM 231 NE ARG A 16 -7.366 -12.371 1.510 1.00 0.00 N ATOM 232 CZ ARG A 16 -7.961 -12.178 2.695 1.00 0.00 C ATOM 233 NH1 ARG A 16 -8.819 -13.062 3.189 1.00 0.00 N ATOM 234 NH2 ARG A 16 -7.695 -11.081 3.378 1.00 0.00 N ATOM 0 H ARG A 16 -6.006 -13.817 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.076 -11.308 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.380 -13.090 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.070 -11.584 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.366 -12.488 -1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.614 -14.020 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.524 -14.008 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.794 -14.285 0.814 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.718 -11.649 1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.037 -13.909 2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.260 -12.894 4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.043 -10.392 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.141 -10.922 4.281 1.00 0.00 H new ATOM 248 N GLU A 17 -3.738 -11.383 -2.740 1.00 0.00 N ATOM 249 CA GLU A 17 -2.516 -10.554 -2.658 1.00 0.00 C ATOM 250 C GLU A 17 -2.384 -9.655 -3.901 1.00 0.00 C ATOM 251 O GLU A 17 -1.948 -8.523 -3.770 1.00 0.00 O ATOM 252 CB GLU A 17 -1.227 -11.410 -2.469 1.00 0.00 C ATOM 253 CG GLU A 17 -1.052 -12.073 -1.087 1.00 0.00 C ATOM 254 CD GLU A 17 -2.116 -13.142 -0.803 1.00 0.00 C ATOM 255 OE1 GLU A 17 -1.960 -14.282 -1.261 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.133 -12.832 -0.159 1.00 0.00 O ATOM 0 H GLU A 17 -3.556 -12.384 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.619 -9.926 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.219 -12.192 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.362 -10.774 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.063 -12.527 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.097 -11.307 -0.313 1.00 0.00 H new ATOM 263 N GLY A 18 -2.755 -10.180 -5.092 1.00 0.00 N ATOM 264 CA GLY A 18 -2.781 -9.393 -6.334 1.00 0.00 C ATOM 265 C GLY A 18 -3.775 -8.230 -6.321 1.00 0.00 C ATOM 266 O GLY A 18 -3.411 -7.107 -6.665 1.00 0.00 O ATOM 0 H GLY A 18 -3.041 -11.152 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.782 -9.000 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.025 -10.055 -7.165 1.00 0.00 H new ATOM 270 N HIS A 19 -5.027 -8.515 -5.910 1.00 0.00 N ATOM 271 CA HIS A 19 -6.107 -7.485 -5.837 1.00 0.00 C ATOM 272 C HIS A 19 -5.754 -6.426 -4.780 1.00 0.00 C ATOM 273 O HIS A 19 -5.979 -5.234 -4.971 1.00 0.00 O ATOM 274 CB HIS A 19 -7.493 -8.104 -5.495 1.00 0.00 C ATOM 275 CG HIS A 19 -8.160 -8.854 -6.615 1.00 0.00 C ATOM 276 ND1 HIS A 19 -8.655 -8.229 -7.740 1.00 0.00 N ATOM 277 CD2 HIS A 19 -8.463 -10.166 -6.756 1.00 0.00 C ATOM 278 CE1 HIS A 19 -9.239 -9.121 -8.511 1.00 0.00 C ATOM 279 NE2 HIS A 19 -9.134 -10.301 -7.936 1.00 0.00 N ATOM 0 H HIS A 19 -5.325 -9.447 -5.622 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.178 -7.027 -6.824 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.371 -8.781 -4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.158 -7.304 -5.169 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.219 -10.958 -6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.723 -8.920 -9.455 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.497 -11.177 -8.313 1.00 0.00 H new ATOM 288 N LEU A 20 -5.210 -6.918 -3.668 1.00 0.00 N ATOM 289 CA LEU A 20 -4.741 -6.121 -2.522 1.00 0.00 C ATOM 290 C LEU A 20 -3.599 -5.182 -2.958 1.00 0.00 C ATOM 291 O LEU A 20 -3.584 -4.005 -2.609 1.00 0.00 O ATOM 292 CB LEU A 20 -4.304 -7.123 -1.392 1.00 0.00 C ATOM 293 CG LEU A 20 -4.031 -6.585 0.048 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.624 -6.004 0.207 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.104 -5.567 0.444 1.00 0.00 C ATOM 0 H LEU A 20 -5.076 -7.920 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.532 -5.478 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.079 -7.886 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.397 -7.623 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.084 -7.435 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.492 -5.646 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.885 -6.777 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.492 -5.175 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.903 -5.199 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.090 -4.732 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.084 -6.044 0.421 1.00 0.00 H new ATOM 307 N GLU A 21 -2.686 -5.729 -3.768 1.00 0.00 N ATOM 308 CA GLU A 21 -1.542 -5.000 -4.343 1.00 0.00 C ATOM 309 C GLU A 21 -2.035 -3.886 -5.289 1.00 0.00 C ATOM 310 O GLU A 21 -1.511 -2.764 -5.274 1.00 0.00 O ATOM 311 CB GLU A 21 -0.624 -6.004 -5.089 1.00 0.00 C ATOM 312 CG GLU A 21 0.537 -5.382 -5.886 1.00 0.00 C ATOM 313 CD GLU A 21 1.498 -6.426 -6.473 1.00 0.00 C ATOM 314 OE1 GLU A 21 1.107 -7.136 -7.420 1.00 0.00 O ATOM 315 OE2 GLU A 21 2.661 -6.519 -6.025 1.00 0.00 O ATOM 0 H GLU A 21 -2.719 -6.709 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.971 -4.525 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.208 -6.699 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.238 -6.590 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.130 -4.777 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.096 -4.709 -5.236 1.00 0.00 H new ATOM 322 N GLN A 22 -3.088 -4.209 -6.072 1.00 0.00 N ATOM 323 CA GLN A 22 -3.727 -3.260 -7.008 1.00 0.00 C ATOM 324 C GLN A 22 -4.354 -2.089 -6.242 1.00 0.00 C ATOM 325 O GLN A 22 -4.214 -0.927 -6.645 1.00 0.00 O ATOM 326 CB GLN A 22 -4.814 -3.960 -7.864 1.00 0.00 C ATOM 327 CG GLN A 22 -4.273 -4.998 -8.859 1.00 0.00 C ATOM 328 CD GLN A 22 -5.373 -5.759 -9.594 1.00 0.00 C ATOM 329 OE1 GLN A 22 -6.463 -5.984 -9.062 1.00 0.00 O ATOM 330 NE2 GLN A 22 -5.102 -6.171 -10.820 1.00 0.00 N ATOM 0 H GLN A 22 -3.518 -5.134 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.951 -2.882 -7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.523 -4.450 -7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.368 -3.201 -8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.638 -4.495 -9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.643 -5.709 -8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.192 -5.971 -11.236 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.803 -6.689 -11.351 1.00 0.00 H new ATOM 339 N ARG A 23 -5.037 -2.414 -5.120 1.00 0.00 N ATOM 340 CA ARG A 23 -5.747 -1.435 -4.291 1.00 0.00 C ATOM 341 C ARG A 23 -4.783 -0.469 -3.627 1.00 0.00 C ATOM 342 O ARG A 23 -5.025 0.731 -3.647 1.00 0.00 O ATOM 343 CB ARG A 23 -6.614 -2.149 -3.213 1.00 0.00 C ATOM 344 CG ARG A 23 -7.962 -2.673 -3.731 1.00 0.00 C ATOM 345 CD ARG A 23 -8.869 -1.529 -4.228 1.00 0.00 C ATOM 346 NE ARG A 23 -9.070 -0.476 -3.215 1.00 0.00 N ATOM 347 CZ ARG A 23 -10.010 -0.489 -2.257 1.00 0.00 C ATOM 348 NH1 ARG A 23 -10.868 -1.491 -2.140 1.00 0.00 N ATOM 349 NH2 ARG A 23 -10.095 0.513 -1.420 1.00 0.00 N ATOM 0 H ARG A 23 -5.106 -3.370 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.402 -0.864 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.047 -2.984 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.798 -1.455 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.790 -3.379 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.469 -3.220 -2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.431 -1.087 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.837 -1.939 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.443 0.328 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.824 -2.278 -2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.573 -1.476 -1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.449 1.299 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.807 0.509 -0.690 1.00 0.00 H new ATOM 363 N ILE A 24 -3.685 -1.007 -3.056 1.00 0.00 N ATOM 364 CA ILE A 24 -2.650 -0.188 -2.396 1.00 0.00 C ATOM 365 C ILE A 24 -2.098 0.848 -3.389 1.00 0.00 C ATOM 366 O ILE A 24 -2.025 2.032 -3.067 1.00 0.00 O ATOM 367 CB ILE A 24 -1.468 -1.042 -1.805 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.968 -2.015 -0.694 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.334 -0.135 -1.254 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.886 -2.915 -0.103 1.00 0.00 C ATOM 0 H ILE A 24 -3.493 -2.009 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.130 0.310 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.063 -1.637 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.414 -1.429 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.758 -2.642 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.467 -0.757 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.058 0.487 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.730 0.502 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.324 -3.557 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.455 -3.532 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.105 -2.300 0.344 1.00 0.00 H new ATOM 382 N LEU A 25 -1.804 0.390 -4.625 1.00 0.00 N ATOM 383 CA LEU A 25 -1.253 1.257 -5.680 1.00 0.00 C ATOM 384 C LEU A 25 -2.257 2.337 -6.088 1.00 0.00 C ATOM 385 O LEU A 25 -1.870 3.483 -6.307 1.00 0.00 O ATOM 386 CB LEU A 25 -0.843 0.417 -6.924 1.00 0.00 C ATOM 387 CG LEU A 25 0.373 -0.525 -6.723 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.726 -1.290 -8.010 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.577 0.261 -6.180 1.00 0.00 C ATOM 0 H LEU A 25 -1.941 -0.579 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.366 1.746 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.698 -0.184 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.620 1.100 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 25 0.096 -1.276 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.583 -1.938 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.126 -1.895 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.972 -0.580 -8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.422 -0.415 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.849 1.045 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.316 0.711 -5.222 1.00 0.00 H new ATOM 401 N GLN A 26 -3.549 1.959 -6.133 1.00 0.00 N ATOM 402 CA GLN A 26 -4.630 2.833 -6.609 1.00 0.00 C ATOM 403 C GLN A 26 -4.860 3.985 -5.603 1.00 0.00 C ATOM 404 O GLN A 26 -4.974 5.145 -6.003 1.00 0.00 O ATOM 405 CB GLN A 26 -5.927 2.006 -6.840 1.00 0.00 C ATOM 406 CG GLN A 26 -7.104 2.794 -7.444 1.00 0.00 C ATOM 407 CD GLN A 26 -6.799 3.399 -8.819 1.00 0.00 C ATOM 408 OE1 GLN A 26 -6.243 4.602 -8.846 1.00 0.00 O flip ATOM 409 NE2 GLN A 26 -7.034 2.774 -9.844 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.869 1.036 -5.839 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.345 3.274 -7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.694 1.169 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.244 1.583 -5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.966 2.133 -7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.384 3.594 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.463 1.850 -9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.801 3.177 -10.752 1.00 0.00 H new ATOM 418 N VAL A 27 -4.880 3.635 -4.302 1.00 0.00 N ATOM 419 CA VAL A 27 -4.989 4.595 -3.182 1.00 0.00 C ATOM 420 C VAL A 27 -3.822 5.606 -3.211 1.00 0.00 C ATOM 421 O VAL A 27 -4.030 6.820 -3.101 1.00 0.00 O ATOM 422 CB VAL A 27 -5.015 3.853 -1.786 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.043 4.857 -0.605 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.212 2.863 -1.690 1.00 0.00 C ATOM 0 H VAL A 27 -4.820 2.665 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.930 5.132 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.092 3.277 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.060 4.310 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.155 5.487 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.934 5.481 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.200 2.370 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.147 3.410 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.129 2.114 -2.477 1.00 0.00 H new ATOM 434 N LEU A 28 -2.605 5.072 -3.405 1.00 0.00 N ATOM 435 CA LEU A 28 -1.361 5.868 -3.426 1.00 0.00 C ATOM 436 C LEU A 28 -1.325 6.822 -4.640 1.00 0.00 C ATOM 437 O LEU A 28 -0.812 7.944 -4.540 1.00 0.00 O ATOM 438 CB LEU A 28 -0.117 4.937 -3.427 1.00 0.00 C ATOM 439 CG LEU A 28 0.105 4.084 -2.134 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.248 3.074 -2.315 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.353 4.975 -0.901 1.00 0.00 C ATOM 0 H LEU A 28 -2.453 4.074 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.340 6.477 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.197 4.258 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.770 5.549 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.814 3.524 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.374 2.499 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.010 2.399 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.172 3.607 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.503 4.347 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.241 5.586 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.509 5.623 -0.741 1.00 0.00 H new ATOM 453 N THR A 29 -1.904 6.379 -5.778 1.00 0.00 N ATOM 454 CA THR A 29 -1.899 7.156 -7.033 1.00 0.00 C ATOM 455 C THR A 29 -2.931 8.301 -6.970 1.00 0.00 C ATOM 456 O THR A 29 -2.611 9.439 -7.325 1.00 0.00 O ATOM 457 CB THR A 29 -2.193 6.249 -8.276 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.256 5.164 -8.319 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.104 7.024 -9.611 1.00 0.00 C ATOM 0 H THR A 29 -2.383 5.481 -5.851 1.00 0.00 H new ATOM 0 HA THR A 29 -0.900 7.578 -7.146 1.00 0.00 H new ATOM 0 HB THR A 29 -3.213 5.882 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.453 4.533 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.316 6.348 -10.439 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.831 7.836 -9.610 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.101 7.435 -9.727 1.00 0.00 H new ATOM 467 N GLU A 30 -4.161 8.000 -6.485 1.00 0.00 N ATOM 468 CA GLU A 30 -5.272 8.976 -6.449 1.00 0.00 C ATOM 469 C GLU A 30 -4.981 10.090 -5.432 1.00 0.00 C ATOM 470 O GLU A 30 -5.246 11.264 -5.701 1.00 0.00 O ATOM 471 CB GLU A 30 -6.604 8.278 -6.078 1.00 0.00 C ATOM 472 CG GLU A 30 -7.124 7.275 -7.116 1.00 0.00 C ATOM 473 CD GLU A 30 -8.376 6.523 -6.636 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.241 5.508 -5.917 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.504 6.960 -6.947 1.00 0.00 O ATOM 0 H GLU A 30 -4.407 7.083 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.363 9.413 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.472 7.759 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.365 9.042 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.354 7.802 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.338 6.555 -7.346 1.00 0.00 H new ATOM 482 N ALA A 31 -4.446 9.680 -4.259 1.00 0.00 N ATOM 483 CA ALA A 31 -4.049 10.595 -3.167 1.00 0.00 C ATOM 484 C ALA A 31 -3.044 11.654 -3.648 1.00 0.00 C ATOM 485 O ALA A 31 -3.160 12.830 -3.288 1.00 0.00 O ATOM 486 CB ALA A 31 -3.458 9.792 -1.992 1.00 0.00 C ATOM 0 H ALA A 31 -4.277 8.697 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.944 11.119 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.169 10.475 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.205 9.092 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.582 9.240 -2.333 1.00 0.00 H new ATOM 492 N GLY A 32 -2.066 11.217 -4.470 1.00 0.00 N ATOM 493 CA GLY A 32 -0.985 12.094 -4.942 1.00 0.00 C ATOM 494 C GLY A 32 -0.118 12.612 -3.798 1.00 0.00 C ATOM 495 O GLY A 32 0.465 13.696 -3.887 1.00 0.00 O ATOM 0 H GLY A 32 -2.007 10.260 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.361 11.549 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.414 12.939 -5.481 1.00 0.00 H new ATOM 499 N SER A 33 -0.056 11.808 -2.728 1.00 0.00 N ATOM 500 CA SER A 33 0.585 12.159 -1.466 1.00 0.00 C ATOM 501 C SER A 33 0.865 10.860 -0.674 1.00 0.00 C ATOM 502 O SER A 33 0.169 9.852 -0.894 1.00 0.00 O ATOM 503 CB SER A 33 -0.330 13.132 -0.669 1.00 0.00 C ATOM 504 OG SER A 33 -1.647 12.611 -0.509 1.00 0.00 O ATOM 0 H SER A 33 -0.463 10.873 -2.722 1.00 0.00 H new ATOM 0 HA SER A 33 1.532 12.668 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.107 13.321 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.379 14.090 -1.186 1.00 0.00 H new ATOM 0 HG SER A 33 -2.145 12.717 -1.347 1.00 0.00 H new ATOM 510 N PRO A 34 1.886 10.847 0.246 1.00 0.00 N ATOM 511 CA PRO A 34 2.198 9.662 1.080 1.00 0.00 C ATOM 512 C PRO A 34 1.013 9.251 1.990 1.00 0.00 C ATOM 513 O PRO A 34 0.503 10.063 2.766 1.00 0.00 O ATOM 514 CB PRO A 34 3.437 10.106 1.905 1.00 0.00 C ATOM 515 CG PRO A 34 3.406 11.602 1.879 1.00 0.00 C ATOM 516 CD PRO A 34 2.829 11.967 0.530 1.00 0.00 C ATOM 0 HA PRO A 34 2.390 8.774 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.387 9.728 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.359 9.723 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.792 11.997 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.406 12.018 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.315 12.928 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.605 12.043 -0.232 1.00 0.00 H new ATOM 524 N VAL A 35 0.587 7.987 1.868 1.00 0.00 N ATOM 525 CA VAL A 35 -0.517 7.412 2.649 1.00 0.00 C ATOM 526 C VAL A 35 0.084 6.484 3.712 1.00 0.00 C ATOM 527 O VAL A 35 0.887 5.601 3.382 1.00 0.00 O ATOM 528 CB VAL A 35 -1.515 6.595 1.739 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.672 5.973 2.559 1.00 0.00 C ATOM 530 CG2 VAL A 35 -2.071 7.462 0.578 1.00 0.00 C ATOM 0 H VAL A 35 1.006 7.325 1.214 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.083 8.222 3.109 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.941 5.777 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.334 5.420 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.263 5.295 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.234 6.765 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.754 6.866 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.604 8.320 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.246 7.810 -0.044 1.00 0.00 H new ATOM 540 N LYS A 36 -0.306 6.682 4.980 1.00 0.00 N ATOM 541 CA LYS A 36 0.145 5.828 6.091 1.00 0.00 C ATOM 542 C LYS A 36 -0.455 4.429 5.946 1.00 0.00 C ATOM 543 O LYS A 36 -1.538 4.286 5.381 1.00 0.00 O ATOM 544 CB LYS A 36 -0.265 6.441 7.451 1.00 0.00 C ATOM 545 CG LYS A 36 0.367 7.817 7.719 1.00 0.00 C ATOM 546 CD LYS A 36 -0.078 8.438 9.064 1.00 0.00 C ATOM 547 CE LYS A 36 0.558 9.818 9.321 1.00 0.00 C ATOM 548 NZ LYS A 36 0.029 10.472 10.553 1.00 0.00 N ATOM 0 H LYS A 36 -0.937 7.431 5.264 1.00 0.00 H new ATOM 0 HA LYS A 36 1.232 5.759 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.350 6.536 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.021 5.757 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.453 7.719 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.103 8.495 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.164 8.535 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.188 7.763 9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.639 9.705 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.374 10.465 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.489 11.396 10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.998 10.606 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.227 9.870 11.378 1.00 0.00 H new ATOM 562 N LEU A 37 0.260 3.413 6.443 1.00 0.00 N ATOM 563 CA LEU A 37 -0.230 2.018 6.491 1.00 0.00 C ATOM 564 C LEU A 37 -1.559 1.950 7.273 1.00 0.00 C ATOM 565 O LEU A 37 -2.460 1.194 6.905 1.00 0.00 O ATOM 566 CB LEU A 37 0.843 1.092 7.126 1.00 0.00 C ATOM 567 CG LEU A 37 0.451 -0.410 7.345 1.00 0.00 C ATOM 568 CD1 LEU A 37 -0.023 -1.065 6.037 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.626 -1.197 7.964 1.00 0.00 C ATOM 0 H LEU A 37 1.198 3.529 6.826 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.415 1.670 5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.731 1.121 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.124 1.512 8.092 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.384 -0.437 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.287 -2.106 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.896 -0.533 5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.777 -1.022 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.332 -2.237 8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.486 -1.152 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.891 -0.759 8.926 1.00 0.00 H new ATOM 581 N ALA A 38 -1.625 2.727 8.372 1.00 0.00 N ATOM 582 CA ALA A 38 -2.865 3.037 9.115 1.00 0.00 C ATOM 583 C ALA A 38 -4.030 3.385 8.180 1.00 0.00 C ATOM 584 O ALA A 38 -5.099 2.769 8.250 1.00 0.00 O ATOM 585 CB ALA A 38 -2.609 4.196 10.098 1.00 0.00 C ATOM 0 H ALA A 38 -0.799 3.167 8.778 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.151 2.142 9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.526 4.420 10.643 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.829 3.909 10.803 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.291 5.079 9.544 1.00 0.00 H new ATOM 591 N GLN A 39 -3.801 4.351 7.269 1.00 0.00 N ATOM 592 CA GLN A 39 -4.836 4.813 6.338 1.00 0.00 C ATOM 593 C GLN A 39 -5.054 3.780 5.214 1.00 0.00 C ATOM 594 O GLN A 39 -6.122 3.733 4.654 1.00 0.00 O ATOM 595 CB GLN A 39 -4.463 6.208 5.764 1.00 0.00 C ATOM 596 CG GLN A 39 -5.552 6.861 4.875 1.00 0.00 C ATOM 597 CD GLN A 39 -5.241 8.292 4.417 1.00 0.00 C ATOM 598 OE1 GLN A 39 -3.969 8.626 4.232 1.00 0.00 O flip ATOM 599 NE2 GLN A 39 -6.152 9.097 4.218 1.00 0.00 N flip ATOM 0 H GLN A 39 -2.904 4.824 7.162 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.776 4.915 6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.242 6.879 6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.548 6.111 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.702 6.238 3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.493 6.868 5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.121 8.817 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.937 10.043 3.904 1.00 0.00 H new ATOM 608 N LEU A 40 -4.042 2.946 4.894 1.00 0.00 N ATOM 609 CA LEU A 40 -4.200 1.837 3.913 1.00 0.00 C ATOM 610 C LEU A 40 -5.199 0.778 4.446 1.00 0.00 C ATOM 611 O LEU A 40 -5.945 0.181 3.665 1.00 0.00 O ATOM 612 CB LEU A 40 -2.827 1.190 3.565 1.00 0.00 C ATOM 613 CG LEU A 40 -1.832 2.081 2.749 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.455 1.406 2.601 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.416 2.450 1.366 1.00 0.00 C ATOM 0 H LEU A 40 -3.107 3.014 5.296 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.606 2.255 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.341 0.896 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.012 0.276 3.000 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.688 3.003 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.208 2.055 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.028 1.230 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.570 0.455 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.702 3.069 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.612 1.540 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.347 3.002 1.499 1.00 0.00 H new ATOM 627 N VAL A 41 -5.186 0.559 5.783 1.00 0.00 N ATOM 628 CA VAL A 41 -6.183 -0.297 6.486 1.00 0.00 C ATOM 629 C VAL A 41 -7.597 0.261 6.277 1.00 0.00 C ATOM 630 O VAL A 41 -8.539 -0.481 6.008 1.00 0.00 O ATOM 631 CB VAL A 41 -5.892 -0.410 8.040 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.926 -1.327 8.751 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.448 -0.908 8.305 1.00 0.00 C ATOM 0 H VAL A 41 -4.489 0.967 6.406 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.104 -1.296 6.057 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.990 0.591 8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.694 -1.380 9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.927 -0.918 8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.883 -2.327 8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.278 -0.975 9.380 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.314 -1.891 7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.736 -0.208 7.868 1.00 0.00 H new ATOM 643 N LYS A 42 -7.701 1.583 6.391 1.00 0.00 N ATOM 644 CA LYS A 42 -8.953 2.327 6.262 1.00 0.00 C ATOM 645 C LYS A 42 -9.498 2.252 4.811 1.00 0.00 C ATOM 646 O LYS A 42 -10.614 1.784 4.589 1.00 0.00 O ATOM 647 CB LYS A 42 -8.684 3.788 6.699 1.00 0.00 C ATOM 648 CG LYS A 42 -9.839 4.777 6.487 1.00 0.00 C ATOM 649 CD LYS A 42 -9.457 6.209 6.920 1.00 0.00 C ATOM 650 CE LYS A 42 -10.587 7.222 6.704 1.00 0.00 C ATOM 651 NZ LYS A 42 -10.995 7.320 5.277 1.00 0.00 N ATOM 0 H LYS A 42 -6.897 2.182 6.580 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.721 1.890 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.422 3.787 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.813 4.155 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.126 4.780 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.709 4.446 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.179 6.202 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.578 6.529 6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.449 6.935 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.265 8.202 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.096 8.321 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.271 6.875 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.904 6.833 5.142 1.00 0.00 H new ATOM 665 N GLU A 43 -8.676 2.696 3.844 1.00 0.00 N ATOM 666 CA GLU A 43 -9.048 2.825 2.428 1.00 0.00 C ATOM 667 C GLU A 43 -9.339 1.467 1.773 1.00 0.00 C ATOM 668 O GLU A 43 -10.417 1.270 1.208 1.00 0.00 O ATOM 669 CB GLU A 43 -7.928 3.562 1.640 1.00 0.00 C ATOM 670 CG GLU A 43 -7.552 4.957 2.189 1.00 0.00 C ATOM 671 CD GLU A 43 -8.721 5.947 2.247 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.104 6.494 1.196 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.266 6.185 3.348 1.00 0.00 O ATOM 0 H GLU A 43 -7.715 2.981 4.031 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.967 3.409 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.035 2.937 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.245 3.670 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.139 4.841 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.764 5.380 1.566 1.00 0.00 H new ATOM 680 N CYS A 44 -8.385 0.526 1.881 1.00 0.00 N ATOM 681 CA CYS A 44 -8.481 -0.787 1.216 1.00 0.00 C ATOM 682 C CYS A 44 -9.366 -1.756 2.033 1.00 0.00 C ATOM 683 O CYS A 44 -9.751 -2.823 1.533 1.00 0.00 O ATOM 684 CB CYS A 44 -7.072 -1.380 0.995 1.00 0.00 C ATOM 685 SG CYS A 44 -7.059 -2.909 0.034 1.00 0.00 S ATOM 0 H CYS A 44 -7.532 0.651 2.427 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.952 -0.647 0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.453 -0.640 0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.613 -1.569 1.965 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.161 -3.565 0.247 1.00 0.00 H new ATOM 691 N GLN A 45 -9.664 -1.360 3.299 1.00 0.00 N ATOM 692 CA GLN A 45 -10.503 -2.116 4.257 1.00 0.00 C ATOM 693 C GLN A 45 -9.840 -3.437 4.707 1.00 0.00 C ATOM 694 O GLN A 45 -10.477 -4.260 5.370 1.00 0.00 O ATOM 695 CB GLN A 45 -11.940 -2.343 3.707 1.00 0.00 C ATOM 696 CG GLN A 45 -12.738 -1.041 3.473 1.00 0.00 C ATOM 697 CD GLN A 45 -14.122 -1.270 2.864 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.331 -2.214 2.102 1.00 0.00 O ATOM 699 NE2 GLN A 45 -15.069 -0.412 3.197 1.00 0.00 N ATOM 0 H GLN A 45 -9.317 -0.483 3.688 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.593 -1.498 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.875 -2.891 2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.490 -2.973 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.851 -0.519 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.165 -0.387 2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.859 0.359 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.011 -0.520 2.820 1.00 0.00 H new ATOM 708 N ALA A 46 -8.538 -3.575 4.412 1.00 0.00 N ATOM 709 CA ALA A 46 -7.761 -4.808 4.639 1.00 0.00 C ATOM 710 C ALA A 46 -6.981 -4.735 5.964 1.00 0.00 C ATOM 711 O ALA A 46 -6.667 -3.636 6.427 1.00 0.00 O ATOM 712 CB ALA A 46 -6.810 -5.015 3.453 1.00 0.00 C ATOM 0 H ALA A 46 -7.985 -2.822 4.002 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.441 -5.657 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.228 -5.924 3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.389 -5.106 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.136 -4.162 3.374 1.00 0.00 H new ATOM 718 N PRO A 47 -6.661 -5.913 6.604 1.00 0.00 N ATOM 719 CA PRO A 47 -5.846 -5.964 7.845 1.00 0.00 C ATOM 720 C PRO A 47 -4.403 -5.468 7.618 1.00 0.00 C ATOM 721 O PRO A 47 -3.782 -5.817 6.607 1.00 0.00 O ATOM 722 CB PRO A 47 -5.859 -7.468 8.232 1.00 0.00 C ATOM 723 CG PRO A 47 -7.006 -8.062 7.476 1.00 0.00 C ATOM 724 CD PRO A 47 -7.073 -7.286 6.185 1.00 0.00 C ATOM 0 HA PRO A 47 -6.247 -5.314 8.623 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.919 -7.951 7.964 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.988 -7.596 9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.847 -9.124 7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.936 -7.973 8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.402 -7.697 5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.076 -7.295 5.759 1.00 0.00 H new ATOM 732 N LYS A 48 -3.909 -4.637 8.560 1.00 0.00 N ATOM 733 CA LYS A 48 -2.517 -4.134 8.590 1.00 0.00 C ATOM 734 C LYS A 48 -1.465 -5.230 8.308 1.00 0.00 C ATOM 735 O LYS A 48 -0.546 -5.001 7.532 1.00 0.00 O ATOM 736 CB LYS A 48 -2.225 -3.477 9.964 1.00 0.00 C ATOM 737 CG LYS A 48 -0.829 -2.831 10.083 1.00 0.00 C ATOM 738 CD LYS A 48 -0.523 -2.198 11.462 1.00 0.00 C ATOM 739 CE LYS A 48 -1.331 -0.918 11.769 1.00 0.00 C ATOM 740 NZ LYS A 48 -2.744 -1.186 12.133 1.00 0.00 N ATOM 0 H LYS A 48 -4.475 -4.290 9.335 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.434 -3.400 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.981 -2.715 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.329 -4.233 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.074 -3.588 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.733 -2.062 9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.724 -2.935 12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.540 -1.963 11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.849 -0.380 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.306 -0.264 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.372 -0.783 11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.898 -2.213 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.954 -0.750 13.054 1.00 0.00 H new ATOM 754 N ARG A 49 -1.606 -6.407 8.957 1.00 0.00 N ATOM 755 CA ARG A 49 -0.660 -7.543 8.798 1.00 0.00 C ATOM 756 C ARG A 49 -0.597 -8.048 7.340 1.00 0.00 C ATOM 757 O ARG A 49 0.487 -8.399 6.848 1.00 0.00 O ATOM 758 CB ARG A 49 -1.017 -8.712 9.754 1.00 0.00 C ATOM 759 CG ARG A 49 -0.992 -8.350 11.255 1.00 0.00 C ATOM 760 CD ARG A 49 -1.105 -9.587 12.166 1.00 0.00 C ATOM 761 NE ARG A 49 -2.288 -10.416 11.847 1.00 0.00 N ATOM 762 CZ ARG A 49 -2.263 -11.657 11.310 1.00 0.00 C ATOM 763 NH1 ARG A 49 -1.103 -12.248 11.023 1.00 0.00 N ATOM 764 NH2 ARG A 49 -3.397 -12.286 11.051 1.00 0.00 N ATOM 0 H ARG A 49 -2.372 -6.600 9.602 1.00 0.00 H new ATOM 0 HA ARG A 49 0.327 -7.165 9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.011 -9.080 9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.319 -9.531 9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.067 -7.820 11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.812 -7.667 11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.204 -10.192 12.067 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.160 -9.265 13.206 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.204 -10.016 12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.224 -11.764 11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.094 -13.184 10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.289 -11.835 11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.380 -13.222 10.646 1.00 0.00 H new ATOM 778 N GLU A 50 -1.761 -8.104 6.674 1.00 0.00 N ATOM 779 CA GLU A 50 -1.846 -8.507 5.259 1.00 0.00 C ATOM 780 C GLU A 50 -1.157 -7.467 4.360 1.00 0.00 C ATOM 781 O GLU A 50 -0.290 -7.820 3.552 1.00 0.00 O ATOM 782 CB GLU A 50 -3.321 -8.713 4.824 1.00 0.00 C ATOM 783 CG GLU A 50 -3.510 -8.879 3.290 1.00 0.00 C ATOM 784 CD GLU A 50 -4.913 -9.316 2.873 1.00 0.00 C ATOM 785 OE1 GLU A 50 -5.887 -8.604 3.190 1.00 0.00 O ATOM 786 OE2 GLU A 50 -5.054 -10.383 2.227 1.00 0.00 O ATOM 0 H GLU A 50 -2.661 -7.874 7.094 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.327 -9.459 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.717 -9.595 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.911 -7.861 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.277 -7.932 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.790 -9.611 2.924 1.00 0.00 H new ATOM 793 N LEU A 51 -1.534 -6.188 4.555 1.00 0.00 N ATOM 794 CA LEU A 51 -1.034 -5.051 3.759 1.00 0.00 C ATOM 795 C LEU A 51 0.491 -4.975 3.838 1.00 0.00 C ATOM 796 O LEU A 51 1.157 -5.033 2.820 1.00 0.00 O ATOM 797 CB LEU A 51 -1.643 -3.734 4.294 1.00 0.00 C ATOM 798 CG LEU A 51 -3.175 -3.543 4.090 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.729 -2.492 5.053 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.506 -3.162 2.630 1.00 0.00 C ATOM 0 H LEU A 51 -2.201 -5.913 5.277 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.328 -5.196 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.430 -3.669 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.129 -2.901 3.815 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.654 -4.498 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.801 -2.378 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.550 -2.810 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.231 -1.538 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.583 -3.036 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.004 -2.229 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.164 -3.952 1.961 1.00 0.00 H new ATOM 812 N ASN A 52 1.004 -4.869 5.082 1.00 0.00 N ATOM 813 CA ASN A 52 2.443 -4.729 5.404 1.00 0.00 C ATOM 814 C ASN A 52 3.298 -5.803 4.711 1.00 0.00 C ATOM 815 O ASN A 52 4.266 -5.474 4.033 1.00 0.00 O ATOM 816 CB ASN A 52 2.659 -4.775 6.943 1.00 0.00 C ATOM 817 CG ASN A 52 4.126 -4.625 7.377 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.844 -5.613 7.524 1.00 0.00 O ATOM 819 ND2 ASN A 52 4.577 -3.392 7.571 1.00 0.00 N ATOM 0 H ASN A 52 0.414 -4.879 5.914 1.00 0.00 H new ATOM 0 HA ASN A 52 2.769 -3.760 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.072 -3.981 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.273 -5.720 7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.546 -3.242 7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.954 -2.595 7.440 1.00 0.00 H new ATOM 826 N GLN A 53 2.919 -7.084 4.877 1.00 0.00 N ATOM 827 CA GLN A 53 3.629 -8.225 4.259 1.00 0.00 C ATOM 828 C GLN A 53 3.688 -8.100 2.715 1.00 0.00 C ATOM 829 O GLN A 53 4.766 -8.264 2.125 1.00 0.00 O ATOM 830 CB GLN A 53 2.947 -9.558 4.686 1.00 0.00 C ATOM 831 CG GLN A 53 3.558 -10.842 4.085 1.00 0.00 C ATOM 832 CD GLN A 53 5.033 -11.065 4.443 1.00 0.00 C ATOM 833 OE1 GLN A 53 5.347 -11.665 5.464 1.00 0.00 O ATOM 834 NE2 GLN A 53 5.944 -10.595 3.601 1.00 0.00 N ATOM 0 H GLN A 53 2.115 -7.359 5.441 1.00 0.00 H new ATOM 0 HA GLN A 53 4.659 -8.220 4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.985 -9.633 5.773 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.894 -9.513 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.979 -11.700 4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.461 -10.803 3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.652 -10.099 2.759 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.936 -10.729 3.796 1.00 0.00 H new ATOM 843 N VAL A 54 2.538 -7.770 2.083 1.00 0.00 N ATOM 844 CA VAL A 54 2.455 -7.599 0.611 1.00 0.00 C ATOM 845 C VAL A 54 3.337 -6.420 0.164 1.00 0.00 C ATOM 846 O VAL A 54 3.999 -6.495 -0.858 1.00 0.00 O ATOM 847 CB VAL A 54 0.964 -7.385 0.114 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.892 -7.134 -1.417 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.075 -8.593 0.494 1.00 0.00 C ATOM 0 H VAL A 54 1.654 -7.617 2.568 1.00 0.00 H new ATOM 0 HA VAL A 54 2.819 -8.520 0.156 1.00 0.00 H new ATOM 0 HB VAL A 54 0.587 -6.495 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.147 -6.993 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.465 -6.241 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.307 -7.992 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.942 -8.421 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.472 -9.497 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.068 -8.713 1.577 1.00 0.00 H new ATOM 859 N LEU A 55 3.366 -5.358 0.984 1.00 0.00 N ATOM 860 CA LEU A 55 4.137 -4.129 0.730 1.00 0.00 C ATOM 861 C LEU A 55 5.646 -4.385 0.562 1.00 0.00 C ATOM 862 O LEU A 55 6.298 -3.635 -0.168 1.00 0.00 O ATOM 863 CB LEU A 55 3.873 -3.090 1.854 1.00 0.00 C ATOM 864 CG LEU A 55 2.513 -2.329 1.756 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.118 -1.662 3.084 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.557 -1.290 0.620 1.00 0.00 C ATOM 0 H LEU A 55 2.844 -5.328 1.860 1.00 0.00 H new ATOM 0 HA LEU A 55 3.790 -3.728 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.915 -3.601 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.681 -2.358 1.846 1.00 0.00 H new ATOM 0 HG LEU A 55 1.746 -3.070 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.165 -1.146 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.023 -2.423 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.885 -0.944 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.601 -0.769 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.352 -0.570 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.749 -1.794 -0.327 1.00 0.00 H new ATOM 878 N TYR A 56 6.223 -5.417 1.226 1.00 0.00 N ATOM 879 CA TYR A 56 7.652 -5.772 1.046 1.00 0.00 C ATOM 880 C TYR A 56 7.896 -6.504 -0.286 1.00 0.00 C ATOM 881 O TYR A 56 9.018 -6.471 -0.818 1.00 0.00 O ATOM 882 CB TYR A 56 8.157 -6.623 2.244 1.00 0.00 C ATOM 883 CG TYR A 56 8.365 -5.821 3.547 1.00 0.00 C ATOM 884 CD1 TYR A 56 7.284 -5.251 4.227 1.00 0.00 C ATOM 885 CD2 TYR A 56 9.636 -5.633 4.092 1.00 0.00 C ATOM 886 CE1 TYR A 56 7.459 -4.527 5.388 1.00 0.00 C ATOM 887 CE2 TYR A 56 9.817 -4.913 5.254 1.00 0.00 C ATOM 888 CZ TYR A 56 8.724 -4.361 5.899 1.00 0.00 C ATOM 889 OH TYR A 56 8.904 -3.638 7.060 1.00 0.00 O ATOM 0 H TYR A 56 5.725 -6.014 1.886 1.00 0.00 H new ATOM 0 HA TYR A 56 8.221 -4.843 1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.442 -7.423 2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.099 -7.096 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.287 -5.381 3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.494 -6.060 3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.608 -4.094 5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.809 -4.780 5.660 1.00 0.00 H new ATOM 0 HH TYR A 56 9.857 -3.616 7.287 1.00 0.00 H new ATOM 899 N ARG A 57 6.856 -7.173 -0.816 1.00 0.00 N ATOM 900 CA ARG A 57 6.894 -7.753 -2.170 1.00 0.00 C ATOM 901 C ARG A 57 6.878 -6.591 -3.181 1.00 0.00 C ATOM 902 O ARG A 57 7.751 -6.496 -4.045 1.00 0.00 O ATOM 903 CB ARG A 57 5.679 -8.727 -2.363 1.00 0.00 C ATOM 904 CG ARG A 57 5.695 -9.609 -3.641 1.00 0.00 C ATOM 905 CD ARG A 57 5.132 -8.928 -4.909 1.00 0.00 C ATOM 906 NE ARG A 57 5.324 -9.782 -6.094 1.00 0.00 N ATOM 907 CZ ARG A 57 4.569 -9.765 -7.202 1.00 0.00 C ATOM 908 NH1 ARG A 57 3.532 -8.947 -7.326 1.00 0.00 N ATOM 909 NH2 ARG A 57 4.846 -10.595 -8.180 1.00 0.00 N ATOM 0 H ARG A 57 5.975 -7.325 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 57 7.798 -8.341 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.628 -9.385 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.764 -8.134 -2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.721 -9.919 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.120 -10.515 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.071 -8.720 -4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.628 -7.969 -5.062 1.00 0.00 H new ATOM 0 HE ARG A 57 6.099 -10.444 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.292 -8.310 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.975 -8.956 -8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.628 -11.244 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.279 -10.592 -9.028 1.00 0.00 H new ATOM 923 N MET A 58 5.904 -5.686 -2.989 1.00 0.00 N ATOM 924 CA MET A 58 5.628 -4.546 -3.881 1.00 0.00 C ATOM 925 C MET A 58 6.816 -3.575 -3.973 1.00 0.00 C ATOM 926 O MET A 58 7.099 -3.054 -5.046 1.00 0.00 O ATOM 927 CB MET A 58 4.375 -3.779 -3.385 1.00 0.00 C ATOM 928 CG MET A 58 3.109 -4.630 -3.268 1.00 0.00 C ATOM 929 SD MET A 58 1.737 -3.749 -2.501 1.00 0.00 S ATOM 930 CE MET A 58 1.396 -2.503 -3.732 1.00 0.00 C ATOM 0 H MET A 58 5.271 -5.727 -2.190 1.00 0.00 H new ATOM 0 HA MET A 58 5.453 -4.952 -4.877 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.595 -3.343 -2.410 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.179 -2.952 -4.067 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.809 -4.964 -4.261 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.331 -5.524 -2.685 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.348 -1.524 -3.255 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.189 -2.504 -4.480 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.443 -2.719 -4.214 1.00 0.00 H new ATOM 940 N LYS A 59 7.503 -3.337 -2.839 1.00 0.00 N ATOM 941 CA LYS A 59 8.622 -2.374 -2.783 1.00 0.00 C ATOM 942 C LYS A 59 9.800 -2.844 -3.641 1.00 0.00 C ATOM 943 O LYS A 59 10.483 -2.032 -4.279 1.00 0.00 O ATOM 944 CB LYS A 59 9.102 -2.107 -1.331 1.00 0.00 C ATOM 945 CG LYS A 59 9.823 -3.279 -0.622 1.00 0.00 C ATOM 946 CD LYS A 59 10.529 -2.858 0.688 1.00 0.00 C ATOM 947 CE LYS A 59 9.571 -2.263 1.736 1.00 0.00 C ATOM 948 NZ LYS A 59 10.295 -1.678 2.888 1.00 0.00 N ATOM 0 H LYS A 59 7.304 -3.797 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 59 8.239 -1.436 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.775 -1.249 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.237 -1.824 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.098 -4.062 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.559 -3.709 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.031 -3.726 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.302 -2.125 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.955 -1.495 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.895 -3.041 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.610 -1.290 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.863 -2.415 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.921 -0.917 2.555 1.00 0.00 H new ATOM 962 N LYS A 60 10.027 -4.168 -3.638 1.00 0.00 N ATOM 963 CA LYS A 60 11.078 -4.805 -4.436 1.00 0.00 C ATOM 964 C LYS A 60 10.746 -4.717 -5.937 1.00 0.00 C ATOM 965 O LYS A 60 11.647 -4.616 -6.775 1.00 0.00 O ATOM 966 CB LYS A 60 11.238 -6.275 -3.973 1.00 0.00 C ATOM 967 CG LYS A 60 12.424 -7.033 -4.605 1.00 0.00 C ATOM 968 CD LYS A 60 12.532 -8.489 -4.107 1.00 0.00 C ATOM 969 CE LYS A 60 11.297 -9.334 -4.461 1.00 0.00 C ATOM 970 NZ LYS A 60 11.407 -10.723 -3.949 1.00 0.00 N ATOM 0 H LYS A 60 9.483 -4.825 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 60 12.024 -4.284 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.354 -6.288 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.319 -6.814 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.315 -7.031 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.350 -6.506 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.419 -8.951 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.668 -8.489 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.405 -8.864 -4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.171 -9.356 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.554 -11.258 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.243 -11.181 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.501 -10.705 -2.913 1.00 0.00 H new ATOM 984 N GLU A 61 9.441 -4.716 -6.253 1.00 0.00 N ATOM 985 CA GLU A 61 8.942 -4.554 -7.633 1.00 0.00 C ATOM 986 C GLU A 61 8.926 -3.054 -8.055 1.00 0.00 C ATOM 987 O GLU A 61 8.492 -2.734 -9.166 1.00 0.00 O ATOM 988 CB GLU A 61 7.511 -5.148 -7.762 1.00 0.00 C ATOM 989 CG GLU A 61 7.310 -6.566 -7.196 1.00 0.00 C ATOM 990 CD GLU A 61 8.296 -7.600 -7.748 1.00 0.00 C ATOM 991 OE1 GLU A 61 8.085 -8.091 -8.876 1.00 0.00 O ATOM 992 OE2 GLU A 61 9.285 -7.933 -7.054 1.00 0.00 O ATOM 0 H GLU A 61 8.700 -4.827 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 61 9.619 -5.092 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.815 -4.477 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.238 -5.158 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.406 -6.530 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.294 -6.894 -7.416 1.00 0.00 H new ATOM 999 N LEU A 62 9.366 -2.150 -7.131 1.00 0.00 N ATOM 1000 CA LEU A 62 9.400 -0.675 -7.327 1.00 0.00 C ATOM 1001 C LEU A 62 7.979 -0.075 -7.396 1.00 0.00 C ATOM 1002 O LEU A 62 7.793 1.064 -7.831 1.00 0.00 O ATOM 1003 CB LEU A 62 10.266 -0.252 -8.564 1.00 0.00 C ATOM 1004 CG LEU A 62 11.829 -0.311 -8.403 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.314 0.609 -7.265 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.356 -1.758 -8.221 1.00 0.00 C ATOM 0 H LEU A 62 9.712 -2.435 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 62 9.890 -0.258 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.989 -0.889 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.993 0.768 -8.834 1.00 0.00 H new ATOM 0 HG LEU A 62 12.250 0.060 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.399 0.544 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.028 1.638 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.858 0.297 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.441 -1.740 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.911 -2.198 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.087 -2.355 -9.092 1.00 0.00 H new ATOM 1018 N LYS A 63 6.995 -0.848 -6.922 1.00 0.00 N ATOM 1019 CA LYS A 63 5.579 -0.453 -6.936 1.00 0.00 C ATOM 1020 C LYS A 63 5.257 0.545 -5.815 1.00 0.00 C ATOM 1021 O LYS A 63 4.450 1.451 -6.019 1.00 0.00 O ATOM 1022 CB LYS A 63 4.673 -1.702 -6.835 1.00 0.00 C ATOM 1023 CG LYS A 63 4.762 -2.622 -8.059 1.00 0.00 C ATOM 1024 CD LYS A 63 3.843 -3.859 -7.959 1.00 0.00 C ATOM 1025 CE LYS A 63 3.969 -4.779 -9.179 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.126 -5.990 -9.069 1.00 0.00 N ATOM 0 H LYS A 63 7.158 -1.769 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 63 5.382 0.049 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.946 -2.268 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.639 -1.382 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.500 -2.054 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.793 -2.953 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.089 -4.420 -7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.808 -3.532 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.689 -4.227 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.011 -5.076 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.236 -6.568 -9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.419 -6.543 -8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.130 -5.711 -8.965 1.00 0.00 H new ATOM 1040 N VAL A 64 5.881 0.372 -4.632 1.00 0.00 N ATOM 1041 CA VAL A 64 5.678 1.282 -3.475 1.00 0.00 C ATOM 1042 C VAL A 64 7.020 1.792 -2.923 1.00 0.00 C ATOM 1043 O VAL A 64 8.040 1.097 -2.952 1.00 0.00 O ATOM 1044 CB VAL A 64 4.849 0.622 -2.304 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.432 0.242 -2.767 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.574 -0.604 -1.693 1.00 0.00 C ATOM 0 H VAL A 64 6.533 -0.391 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 64 5.097 2.120 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 64 4.762 1.373 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.887 -0.210 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.907 1.136 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.497 -0.470 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.966 -1.024 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.728 -1.358 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.539 -0.293 -1.292 1.00 0.00 H new ATOM 1056 N SER A 65 6.977 3.031 -2.429 1.00 0.00 N ATOM 1057 CA SER A 65 8.090 3.706 -1.757 1.00 0.00 C ATOM 1058 C SER A 65 7.786 3.839 -0.257 1.00 0.00 C ATOM 1059 O SER A 65 6.681 4.231 0.111 1.00 0.00 O ATOM 1060 CB SER A 65 8.274 5.108 -2.379 1.00 0.00 C ATOM 1061 OG SER A 65 8.463 5.023 -3.777 1.00 0.00 O ATOM 0 H SER A 65 6.140 3.611 -2.487 1.00 0.00 H new ATOM 0 HA SER A 65 9.004 3.125 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.400 5.722 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.131 5.602 -1.922 1.00 0.00 H new ATOM 0 HG SER A 65 8.575 5.923 -4.147 1.00 0.00 H new ATOM 1067 N LEU A 66 8.758 3.517 0.606 1.00 0.00 N ATOM 1068 CA LEU A 66 8.647 3.741 2.052 1.00 0.00 C ATOM 1069 C LEU A 66 9.351 5.060 2.353 1.00 0.00 C ATOM 1070 O LEU A 66 10.588 5.132 2.363 1.00 0.00 O ATOM 1071 CB LEU A 66 9.278 2.580 2.866 1.00 0.00 C ATOM 1072 CG LEU A 66 9.151 2.700 4.422 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.678 2.647 4.867 1.00 0.00 C ATOM 1074 CD2 LEU A 66 9.998 1.632 5.143 1.00 0.00 C ATOM 0 H LEU A 66 9.642 3.095 0.322 1.00 0.00 H new ATOM 0 HA LEU A 66 7.598 3.781 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.813 1.645 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.335 2.512 2.609 1.00 0.00 H new ATOM 0 HG LEU A 66 9.547 3.674 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.622 2.733 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.130 3.471 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.237 1.700 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.886 1.745 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.661 0.639 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.047 1.756 4.873 1.00 0.00 H new ATOM 1086 N THR A 67 8.554 6.104 2.549 1.00 0.00 N ATOM 1087 CA THR A 67 9.054 7.471 2.669 1.00 0.00 C ATOM 1088 C THR A 67 9.303 7.848 4.144 1.00 0.00 C ATOM 1089 O THR A 67 10.219 8.614 4.452 1.00 0.00 O ATOM 1090 CB THR A 67 8.074 8.472 1.986 1.00 0.00 C ATOM 1091 OG1 THR A 67 8.579 9.804 2.107 1.00 0.00 O ATOM 1092 CG2 THR A 67 6.649 8.410 2.562 1.00 0.00 C ATOM 0 H THR A 67 7.540 6.028 2.630 1.00 0.00 H new ATOM 0 HA THR A 67 10.012 7.529 2.153 1.00 0.00 H new ATOM 0 HB THR A 67 8.009 8.181 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.960 10.429 1.675 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.016 9.131 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.244 7.407 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.676 8.648 3.625 1.00 0.00 H new ATOM 1100 N SER A 68 8.482 7.299 5.043 1.00 0.00 N ATOM 1101 CA SER A 68 8.565 7.528 6.501 1.00 0.00 C ATOM 1102 C SER A 68 8.293 6.181 7.216 1.00 0.00 C ATOM 1103 O SER A 68 7.694 5.317 6.579 1.00 0.00 O ATOM 1104 CB SER A 68 7.537 8.617 6.908 1.00 0.00 C ATOM 1105 OG SER A 68 7.760 9.839 6.229 1.00 0.00 O ATOM 0 H SER A 68 7.724 6.669 4.780 1.00 0.00 H new ATOM 0 HA SER A 68 9.553 7.885 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.529 8.262 6.693 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.594 8.785 7.984 1.00 0.00 H new ATOM 0 HG SER A 68 7.091 10.497 6.512 1.00 0.00 H new ATOM 1111 N PRO A 69 8.744 5.984 8.519 1.00 0.00 N ATOM 1112 CA PRO A 69 8.646 4.703 9.292 1.00 0.00 C ATOM 1113 C PRO A 69 7.500 3.729 8.875 1.00 0.00 C ATOM 1114 O PRO A 69 7.775 2.664 8.305 1.00 0.00 O ATOM 1115 CB PRO A 69 8.476 5.227 10.730 1.00 0.00 C ATOM 1116 CG PRO A 69 9.367 6.442 10.787 1.00 0.00 C ATOM 1117 CD PRO A 69 9.442 7.003 9.362 1.00 0.00 C ATOM 0 HA PRO A 69 9.515 4.067 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.438 5.484 10.940 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.774 4.479 11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.964 7.185 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.360 6.177 11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.955 7.976 9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.475 7.140 9.044 1.00 0.00 H new ATOM 1125 N ALA A 70 6.236 4.098 9.156 1.00 0.00 N ATOM 1126 CA ALA A 70 5.034 3.312 8.755 1.00 0.00 C ATOM 1127 C ALA A 70 4.195 4.034 7.675 1.00 0.00 C ATOM 1128 O ALA A 70 3.044 3.674 7.436 1.00 0.00 O ATOM 1129 CB ALA A 70 4.188 3.031 10.014 1.00 0.00 C ATOM 0 H ALA A 70 6.010 4.950 9.668 1.00 0.00 H new ATOM 0 HA ALA A 70 5.363 2.374 8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.304 2.456 9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.781 2.463 10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.881 3.975 10.464 1.00 0.00 H new ATOM 1135 N THR A 71 4.794 5.027 7.003 1.00 0.00 N ATOM 1136 CA THR A 71 4.118 5.796 5.933 1.00 0.00 C ATOM 1137 C THR A 71 4.711 5.440 4.559 1.00 0.00 C ATOM 1138 O THR A 71 5.928 5.508 4.346 1.00 0.00 O ATOM 1139 CB THR A 71 4.199 7.337 6.167 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.688 7.657 7.467 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.412 8.138 5.111 1.00 0.00 C ATOM 0 H THR A 71 5.754 5.323 7.179 1.00 0.00 H new ATOM 0 HA THR A 71 3.065 5.517 5.957 1.00 0.00 H new ATOM 0 HB THR A 71 5.249 7.616 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.742 8.625 7.611 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.502 9.204 5.321 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.815 7.928 4.120 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.361 7.849 5.144 1.00 0.00 H new ATOM 1149 N TRP A 72 3.816 5.107 3.623 1.00 0.00 N ATOM 1150 CA TRP A 72 4.159 4.636 2.274 1.00 0.00 C ATOM 1151 C TRP A 72 3.736 5.692 1.248 1.00 0.00 C ATOM 1152 O TRP A 72 3.030 6.634 1.583 1.00 0.00 O ATOM 1153 CB TRP A 72 3.452 3.275 1.989 1.00 0.00 C ATOM 1154 CG TRP A 72 3.828 2.195 2.981 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.277 1.983 4.218 1.00 0.00 C ATOM 1156 CD2 TRP A 72 4.847 1.197 2.825 1.00 0.00 C ATOM 1157 NE1 TRP A 72 3.892 0.927 4.831 1.00 0.00 N ATOM 1158 CE2 TRP A 72 4.851 0.422 3.996 1.00 0.00 C ATOM 1159 CE3 TRP A 72 5.740 0.875 1.800 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 5.730 -0.638 4.184 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.609 -0.180 1.987 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.591 -0.935 3.170 1.00 0.00 C ATOM 0 H TRP A 72 2.810 5.158 3.784 1.00 0.00 H new ATOM 0 HA TRP A 72 5.236 4.482 2.201 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.372 3.421 2.011 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.708 2.942 0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.474 2.565 4.646 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.671 0.572 5.762 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.750 1.440 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.731 -1.207 5.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.316 -0.429 1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.272 -1.766 3.279 1.00 0.00 H new ATOM 1173 N CYS A 73 4.193 5.525 0.016 1.00 0.00 N ATOM 1174 CA CYS A 73 3.874 6.399 -1.118 1.00 0.00 C ATOM 1175 C CYS A 73 3.944 5.567 -2.405 1.00 0.00 C ATOM 1176 O CYS A 73 4.421 4.425 -2.378 1.00 0.00 O ATOM 1177 CB CYS A 73 4.856 7.591 -1.175 1.00 0.00 C ATOM 1178 SG CYS A 73 4.499 8.779 -2.484 1.00 0.00 S ATOM 0 H CYS A 73 4.815 4.757 -0.236 1.00 0.00 H new ATOM 0 HA CYS A 73 2.870 6.809 -1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.839 8.108 -0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.867 7.208 -1.313 1.00 0.00 H new ATOM 0 HG CYS A 73 5.374 9.740 -2.448 1.00 0.00 H new ATOM 1184 N LEU A 74 3.414 6.103 -3.511 1.00 0.00 N ATOM 1185 CA LEU A 74 3.509 5.435 -4.823 1.00 0.00 C ATOM 1186 C LEU A 74 4.981 5.340 -5.275 1.00 0.00 C ATOM 1187 O LEU A 74 5.737 6.315 -5.157 1.00 0.00 O ATOM 1188 CB LEU A 74 2.666 6.176 -5.897 1.00 0.00 C ATOM 1189 CG LEU A 74 2.586 5.482 -7.303 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.844 4.130 -7.223 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.940 6.416 -8.345 1.00 0.00 C ATOM 0 H LEU A 74 2.916 6.993 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 74 3.106 4.428 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.652 6.298 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.079 7.176 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 74 3.605 5.275 -7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.807 3.676 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.372 3.465 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.829 4.293 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.897 5.910 -9.310 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.930 6.675 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.535 7.325 -8.438 1.00 0.00 H new ATOM 1203 N GLY A 75 5.377 4.143 -5.752 1.00 0.00 N ATOM 1204 CA GLY A 75 6.685 3.922 -6.370 1.00 0.00 C ATOM 1205 C GLY A 75 6.764 4.624 -7.713 1.00 0.00 C ATOM 1206 O GLY A 75 6.614 4.004 -8.771 1.00 0.00 O ATOM 0 H GLY A 75 4.794 3.307 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.472 4.292 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.856 2.853 -6.501 1.00 0.00 H new ATOM 1210 N GLY A 76 6.996 5.934 -7.644 1.00 0.00 N ATOM 1211 CA GLY A 76 6.859 6.844 -8.776 1.00 0.00 C ATOM 1212 C GLY A 76 6.069 8.067 -8.354 1.00 0.00 C ATOM 1213 O GLY A 76 5.160 8.520 -9.058 1.00 0.00 O ATOM 0 H GLY A 76 7.289 6.399 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.843 7.142 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.355 6.340 -9.601 1.00 0.00 H new ATOM 1217 N THR A 77 6.443 8.597 -7.171 1.00 0.00 N ATOM 1218 CA THR A 77 5.778 9.744 -6.528 1.00 0.00 C ATOM 1219 C THR A 77 5.844 11.012 -7.413 1.00 0.00 C ATOM 1220 O THR A 77 4.950 11.856 -7.353 1.00 0.00 O ATOM 1221 CB THR A 77 6.390 10.047 -5.105 1.00 0.00 C ATOM 1222 OG1 THR A 77 5.775 11.212 -4.520 1.00 0.00 O ATOM 1223 CG2 THR A 77 7.913 10.252 -5.151 1.00 0.00 C ATOM 0 H THR A 77 7.227 8.233 -6.630 1.00 0.00 H new ATOM 0 HA THR A 77 4.731 9.468 -6.401 1.00 0.00 H new ATOM 0 HB THR A 77 6.184 9.171 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.168 11.381 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.283 10.457 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.390 9.351 -5.536 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.147 11.094 -5.803 1.00 0.00 H new ATOM 1231 N ASP A 78 6.917 11.122 -8.224 1.00 0.00 N ATOM 1232 CA ASP A 78 7.127 12.235 -9.171 1.00 0.00 C ATOM 1233 C ASP A 78 5.977 12.298 -10.207 1.00 0.00 C ATOM 1234 O ASP A 78 5.771 11.325 -10.943 1.00 0.00 O ATOM 1235 CB ASP A 78 8.494 12.062 -9.901 1.00 0.00 C ATOM 1236 CG ASP A 78 9.707 12.125 -8.953 1.00 0.00 C ATOM 1237 OD1 ASP A 78 10.223 13.230 -8.697 1.00 0.00 O ATOM 1238 OD2 ASP A 78 10.129 11.069 -8.434 1.00 0.00 O ATOM 0 H ASP A 78 7.669 10.433 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 78 7.136 13.169 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.500 11.105 -10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.594 12.839 -10.659 1.00 0.00 H new ATOM 1243 N PRO A 79 5.180 13.423 -10.254 1.00 0.00 N ATOM 1244 CA PRO A 79 4.127 13.611 -11.279 1.00 0.00 C ATOM 1245 C PRO A 79 4.763 13.811 -12.667 1.00 0.00 C ATOM 1246 O PRO A 79 5.242 14.907 -12.987 1.00 0.00 O ATOM 1247 CB PRO A 79 3.354 14.880 -10.797 1.00 0.00 C ATOM 1248 CG PRO A 79 3.813 15.116 -9.384 1.00 0.00 C ATOM 1249 CD PRO A 79 5.231 14.585 -9.326 1.00 0.00 C ATOM 0 HA PRO A 79 3.464 12.752 -11.383 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.576 15.739 -11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.276 14.723 -10.839 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.780 16.176 -9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.171 14.599 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.957 15.331 -9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.511 14.285 -8.316 1.00 0.00 H new ATOM 1257 N GLU A 80 4.804 12.731 -13.467 1.00 0.00 N ATOM 1258 CA GLU A 80 5.562 12.696 -14.725 1.00 0.00 C ATOM 1259 C GLU A 80 4.656 12.152 -15.854 1.00 0.00 C ATOM 1260 O GLU A 80 4.387 10.933 -15.872 1.00 0.00 O ATOM 1261 CB GLU A 80 6.845 11.813 -14.538 1.00 0.00 C ATOM 1262 CG GLU A 80 7.987 12.123 -15.527 1.00 0.00 C ATOM 1263 CD GLU A 80 8.563 13.533 -15.307 1.00 0.00 C ATOM 1264 OE1 GLU A 80 9.343 13.714 -14.349 1.00 0.00 O ATOM 1265 OE2 GLU A 80 8.216 14.469 -16.059 1.00 0.00 O ATOM 1266 OXT GLU A 80 4.194 12.946 -16.699 1.00 0.00 O ATOM 0 H GLU A 80 4.313 11.861 -13.258 1.00 0.00 H new ATOM 0 HA GLU A 80 5.882 13.701 -15.002 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.216 11.945 -13.522 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.567 10.764 -14.642 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.780 11.384 -15.411 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.617 12.036 -16.549 1.00 0.00 H new TER 1273 GLU A 80