USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 679 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 Single : A 1 GLY N :NH3+ 143:sc= 0.0592 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 45:sc= 0.338 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 176:sc= 0 (180deg=-0.0183) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.838) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.9! X(o=-1.9!,f=-1.6) USER MOD Single : A 23 THR OG1 : rot -110:sc= -0.374 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -151:sc= -0.0254 (180deg=-0.301) USER MOD Single : A 44 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.3) USER MOD Single : A 45 GLN : amide:sc= -0.737 K(o=-0.74,f=-4!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.307 F(o=-1.1,f=-0.31) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.3!) USER MOD Single : A 60 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.24) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc=-0.00606 F(o=-0.61,f=-0.0061) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -111:sc= -1.27 (180deg=-5.19!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -145:sc= 1.24 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.380 -20.424 -11.561 1.00 0.00 N ATOM 2 CA GLY A 1 -0.178 -19.895 -12.897 1.00 0.00 C ATOM 3 C GLY A 1 1.135 -19.150 -13.033 1.00 0.00 C ATOM 4 O GLY A 1 1.706 -18.699 -12.041 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.385 -20.348 -11.306 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.091 -21.423 -11.536 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.192 -19.881 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.204 -20.714 -13.616 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.000 -19.225 -13.147 1.00 0.00 H new ATOM 8 N SER A 2 1.615 -19.022 -14.266 1.00 0.00 N ATOM 9 CA SER A 2 2.873 -18.331 -14.528 1.00 0.00 C ATOM 10 C SER A 2 2.690 -17.257 -15.596 1.00 0.00 C ATOM 11 O SER A 2 3.143 -16.124 -15.436 1.00 0.00 O ATOM 12 CB SER A 2 3.945 -19.329 -14.970 1.00 0.00 C ATOM 13 OG SER A 2 5.217 -18.710 -15.046 1.00 0.00 O ATOM 0 H SER A 2 1.153 -19.387 -15.099 1.00 0.00 H new ATOM 0 HA SER A 2 3.194 -17.849 -13.604 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.983 -20.161 -14.267 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.681 -19.745 -15.942 1.00 0.00 H new ATOM 0 HG SER A 2 5.885 -19.369 -15.329 1.00 0.00 H new ATOM 19 N SER A 3 2.022 -17.623 -16.685 1.00 0.00 N ATOM 20 CA SER A 3 1.782 -16.693 -17.783 1.00 0.00 C ATOM 21 C SER A 3 0.596 -15.783 -17.474 1.00 0.00 C ATOM 22 O SER A 3 -0.555 -16.141 -17.718 1.00 0.00 O ATOM 23 CB SER A 3 1.526 -17.459 -19.082 1.00 0.00 C ATOM 24 OG SER A 3 2.745 -17.812 -19.713 1.00 0.00 O ATOM 0 H SER A 3 1.637 -18.556 -16.831 1.00 0.00 H new ATOM 0 HA SER A 3 2.671 -16.075 -17.904 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.949 -18.359 -18.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.927 -16.847 -19.757 1.00 0.00 H new ATOM 0 HG SER A 3 2.555 -18.302 -20.540 1.00 0.00 H new ATOM 30 N GLY A 4 0.888 -14.603 -16.935 1.00 0.00 N ATOM 31 CA GLY A 4 -0.163 -13.660 -16.601 1.00 0.00 C ATOM 32 C GLY A 4 0.153 -12.857 -15.354 1.00 0.00 C ATOM 33 O GLY A 4 0.865 -13.329 -14.468 1.00 0.00 O ATOM 0 H GLY A 4 1.833 -14.284 -16.724 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.316 -12.979 -17.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.098 -14.200 -16.454 1.00 0.00 H new ATOM 37 N SER A 5 -0.377 -11.640 -15.285 1.00 0.00 N ATOM 38 CA SER A 5 -0.143 -10.768 -14.140 1.00 0.00 C ATOM 39 C SER A 5 -0.953 -11.229 -12.932 1.00 0.00 C ATOM 40 O SER A 5 -2.169 -11.043 -12.879 1.00 0.00 O ATOM 41 CB SER A 5 -0.505 -9.324 -14.490 1.00 0.00 C ATOM 42 OG SER A 5 -1.805 -9.244 -15.049 1.00 0.00 O ATOM 0 H SER A 5 -0.971 -11.236 -16.009 1.00 0.00 H new ATOM 0 HA SER A 5 0.916 -10.818 -13.886 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.453 -8.706 -13.594 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.223 -8.924 -15.196 1.00 0.00 H new ATOM 0 HG SER A 5 -2.423 -9.789 -14.519 1.00 0.00 H new ATOM 48 N SER A 6 -0.270 -11.831 -11.964 1.00 0.00 N ATOM 49 CA SER A 6 -0.925 -12.323 -10.758 1.00 0.00 C ATOM 50 C SER A 6 -1.352 -11.165 -9.861 1.00 0.00 C ATOM 51 O SER A 6 -2.521 -11.045 -9.497 1.00 0.00 O ATOM 52 CB SER A 6 0.010 -13.260 -9.990 1.00 0.00 C ATOM 53 OG SER A 6 0.042 -14.546 -10.583 1.00 0.00 O ATOM 0 H SER A 6 0.737 -11.990 -11.991 1.00 0.00 H new ATOM 0 HA SER A 6 -1.816 -12.876 -11.058 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.016 -12.840 -9.971 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.321 -13.341 -8.955 1.00 0.00 H new ATOM 0 HG SER A 6 0.648 -15.125 -10.075 1.00 0.00 H new ATOM 59 N GLY A 7 -0.393 -10.313 -9.508 1.00 0.00 N ATOM 60 CA GLY A 7 -0.688 -9.176 -8.657 1.00 0.00 C ATOM 61 C GLY A 7 -0.674 -7.864 -9.417 1.00 0.00 C ATOM 62 O GLY A 7 -1.198 -7.777 -10.527 1.00 0.00 O ATOM 0 H GLY A 7 0.582 -10.391 -9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.666 -9.315 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.042 -9.132 -7.849 1.00 0.00 H new ATOM 66 N ARG A 8 -0.075 -6.841 -8.817 1.00 0.00 N ATOM 67 CA ARG A 8 0.001 -5.527 -9.443 1.00 0.00 C ATOM 68 C ARG A 8 1.285 -4.806 -9.040 1.00 0.00 C ATOM 69 O ARG A 8 1.440 -4.390 -7.892 1.00 0.00 O ATOM 70 CB ARG A 8 -1.213 -4.681 -9.055 1.00 0.00 C ATOM 71 CG ARG A 8 -1.091 -3.220 -9.453 1.00 0.00 C ATOM 72 CD ARG A 8 -2.250 -2.396 -8.914 1.00 0.00 C ATOM 73 NE ARG A 8 -3.408 -2.433 -9.803 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.556 -1.630 -10.850 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.625 -0.731 -11.138 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.638 -1.724 -11.612 1.00 0.00 N ATOM 0 H ARG A 8 0.365 -6.897 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 8 0.006 -5.668 -10.524 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.103 -5.103 -9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.359 -4.744 -7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.151 -2.817 -9.077 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.060 -3.139 -10.540 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.535 -2.771 -7.931 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.929 -1.363 -8.780 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.143 -3.113 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.792 -0.655 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.742 -0.116 -11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.357 -2.414 -11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.751 -1.107 -12.416 1.00 0.00 H new ATOM 90 N MET A 9 2.201 -4.664 -9.992 1.00 0.00 N ATOM 91 CA MET A 9 3.471 -3.994 -9.736 1.00 0.00 C ATOM 92 C MET A 9 3.318 -2.480 -9.844 1.00 0.00 C ATOM 93 O MET A 9 3.177 -1.937 -10.940 1.00 0.00 O ATOM 94 CB MET A 9 4.537 -4.482 -10.718 1.00 0.00 C ATOM 95 CG MET A 9 5.267 -5.731 -10.252 1.00 0.00 C ATOM 96 SD MET A 9 4.309 -7.235 -10.519 1.00 0.00 S ATOM 97 CE MET A 9 5.356 -8.449 -9.720 1.00 0.00 C ATOM 0 H MET A 9 2.088 -5.004 -10.947 1.00 0.00 H new ATOM 0 HA MET A 9 3.784 -4.238 -8.721 1.00 0.00 H new ATOM 0 HB2 MET A 9 4.067 -4.684 -11.681 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.263 -3.685 -10.878 1.00 0.00 H new ATOM 0 HG2 MET A 9 6.217 -5.811 -10.781 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.500 -5.637 -9.191 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.865 -9.422 -9.738 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.307 -8.513 -10.248 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.534 -8.152 -8.687 1.00 0.00 H new ATOM 107 N VAL A 10 3.347 -1.803 -8.701 1.00 0.00 N ATOM 108 CA VAL A 10 3.212 -0.352 -8.667 1.00 0.00 C ATOM 109 C VAL A 10 4.570 0.323 -8.510 1.00 0.00 C ATOM 110 O VAL A 10 5.325 0.014 -7.589 1.00 0.00 O ATOM 111 CB VAL A 10 2.290 0.100 -7.519 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.043 1.600 -7.591 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.977 -0.667 -7.558 1.00 0.00 C ATOM 0 H VAL A 10 3.463 -2.237 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 10 2.769 -0.053 -9.617 1.00 0.00 H new ATOM 0 HB VAL A 10 2.784 -0.117 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.390 1.901 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.992 2.129 -7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.570 1.846 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.337 -0.335 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.476 -0.482 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.176 -1.734 -7.454 1.00 0.00 H new ATOM 123 N GLY A 11 4.874 1.247 -9.415 1.00 0.00 N ATOM 124 CA GLY A 11 6.142 1.952 -9.359 1.00 0.00 C ATOM 125 C GLY A 11 6.117 3.112 -8.383 1.00 0.00 C ATOM 126 O GLY A 11 5.089 3.767 -8.214 1.00 0.00 O ATOM 0 H GLY A 11 4.265 1.521 -10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.929 1.255 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.393 2.323 -10.353 1.00 0.00 H new ATOM 130 N ILE A 12 7.252 3.365 -7.739 1.00 0.00 N ATOM 131 CA ILE A 12 7.356 4.453 -6.775 1.00 0.00 C ATOM 132 C ILE A 12 8.622 5.271 -7.004 1.00 0.00 C ATOM 133 O ILE A 12 9.726 4.728 -7.039 1.00 0.00 O ATOM 134 CB ILE A 12 7.353 3.925 -5.328 1.00 0.00 C ATOM 135 CG1 ILE A 12 6.430 2.711 -5.207 1.00 0.00 C ATOM 136 CG2 ILE A 12 6.925 5.022 -4.365 1.00 0.00 C ATOM 137 CD1 ILE A 12 4.997 3.000 -5.596 1.00 0.00 C ATOM 0 H ILE A 12 8.112 2.831 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 12 6.484 5.090 -6.922 1.00 0.00 H new ATOM 0 HB ILE A 12 8.365 3.615 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.814 1.909 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.453 2.348 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.928 4.634 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.619 5.860 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.921 5.360 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.400 2.094 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.595 3.780 -4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.962 3.334 -6.633 1.00 0.00 H new ATOM 149 N ARG A 13 8.454 6.581 -7.157 1.00 0.00 N ATOM 150 CA ARG A 13 9.584 7.475 -7.382 1.00 0.00 C ATOM 151 C ARG A 13 9.915 8.260 -6.117 1.00 0.00 C ATOM 152 O ARG A 13 10.233 9.448 -6.175 1.00 0.00 O ATOM 153 CB ARG A 13 9.277 8.440 -8.529 1.00 0.00 C ATOM 154 CG ARG A 13 7.828 8.896 -8.570 1.00 0.00 C ATOM 155 CD ARG A 13 7.671 10.180 -9.370 1.00 0.00 C ATOM 156 NE ARG A 13 6.427 10.875 -9.051 1.00 0.00 N ATOM 157 CZ ARG A 13 5.846 11.753 -9.862 1.00 0.00 C ATOM 158 NH1 ARG A 13 6.394 12.041 -11.034 1.00 0.00 N ATOM 159 NH2 ARG A 13 4.715 12.344 -9.500 1.00 0.00 N ATOM 0 H ARG A 13 7.547 7.046 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 13 10.449 6.868 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.922 9.314 -8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.524 7.957 -9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.211 8.113 -9.011 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.466 9.052 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.516 10.838 -9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.694 9.949 -10.435 1.00 0.00 H new ATOM 0 HE ARG A 13 5.979 10.676 -8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.264 11.588 -11.315 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.946 12.715 -11.655 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.291 12.125 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.270 13.018 -10.123 1.00 0.00 H new ATOM 173 N LYS A 14 9.839 7.589 -4.973 1.00 0.00 N ATOM 174 CA LYS A 14 10.131 8.222 -3.692 1.00 0.00 C ATOM 175 C LYS A 14 11.634 8.403 -3.506 1.00 0.00 C ATOM 176 O LYS A 14 12.430 7.979 -4.344 1.00 0.00 O ATOM 177 CB LYS A 14 9.561 7.386 -2.544 1.00 0.00 C ATOM 178 CG LYS A 14 10.371 6.137 -2.242 1.00 0.00 C ATOM 179 CD LYS A 14 9.796 5.372 -1.061 1.00 0.00 C ATOM 180 CE LYS A 14 9.997 6.128 0.244 1.00 0.00 C ATOM 181 NZ LYS A 14 10.105 5.205 1.408 1.00 0.00 N ATOM 0 H LYS A 14 9.577 6.605 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 14 9.660 9.205 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.511 8.002 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.539 7.096 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.389 5.492 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.403 6.414 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.732 5.198 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.272 4.394 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.900 6.735 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.163 6.813 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.088 5.755 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.305 4.540 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.997 4.674 1.349 1.00 0.00 H new ATOM 195 N THR A 15 12.017 9.036 -2.400 1.00 0.00 N ATOM 196 CA THR A 15 13.424 9.273 -2.104 1.00 0.00 C ATOM 197 C THR A 15 13.869 8.481 -0.880 1.00 0.00 C ATOM 198 O THR A 15 13.080 8.234 0.032 1.00 0.00 O ATOM 199 CB THR A 15 13.703 10.768 -1.863 1.00 0.00 C ATOM 200 OG1 THR A 15 13.432 11.515 -3.054 1.00 0.00 O ATOM 201 CG2 THR A 15 15.147 10.987 -1.438 1.00 0.00 C ATOM 0 H THR A 15 11.372 9.393 -1.695 1.00 0.00 H new ATOM 0 HA THR A 15 13.990 8.941 -2.974 1.00 0.00 H new ATOM 0 HB THR A 15 13.049 11.113 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.610 12.465 -2.892 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.321 12.050 -1.274 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.342 10.441 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.815 10.627 -2.220 1.00 0.00 H new ATOM 209 N ALA A 16 15.137 8.085 -0.866 1.00 0.00 N ATOM 210 CA ALA A 16 15.687 7.323 0.249 1.00 0.00 C ATOM 211 C ALA A 16 15.547 8.089 1.560 1.00 0.00 C ATOM 212 O ALA A 16 16.309 9.015 1.833 1.00 0.00 O ATOM 213 CB ALA A 16 17.147 6.984 -0.014 1.00 0.00 C ATOM 0 H ALA A 16 15.803 8.279 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 16 15.120 6.396 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.545 6.415 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.224 6.389 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.719 7.904 -0.133 1.00 0.00 H new ATOM 219 N GLY A 17 14.567 7.695 2.368 1.00 0.00 N ATOM 220 CA GLY A 17 14.345 8.357 3.641 1.00 0.00 C ATOM 221 C GLY A 17 12.874 8.578 3.930 1.00 0.00 C ATOM 222 O GLY A 17 12.345 8.067 4.916 1.00 0.00 O ATOM 0 H GLY A 17 13.924 6.930 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.783 7.758 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.861 9.317 3.643 1.00 0.00 H new ATOM 226 N GLU A 18 12.211 9.344 3.068 1.00 0.00 N ATOM 227 CA GLU A 18 10.793 9.633 3.238 1.00 0.00 C ATOM 228 C GLU A 18 10.001 8.352 3.483 1.00 0.00 C ATOM 229 O GLU A 18 10.339 7.290 2.959 1.00 0.00 O ATOM 230 CB GLU A 18 10.245 10.356 2.005 1.00 0.00 C ATOM 231 CG GLU A 18 10.515 9.624 0.701 1.00 0.00 C ATOM 232 CD GLU A 18 9.579 10.052 -0.412 1.00 0.00 C ATOM 233 OE1 GLU A 18 8.383 9.696 -0.353 1.00 0.00 O ATOM 234 OE2 GLU A 18 10.043 10.743 -1.344 1.00 0.00 O ATOM 0 H GLU A 18 12.634 9.775 2.246 1.00 0.00 H new ATOM 0 HA GLU A 18 10.683 10.280 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.169 10.490 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.686 11.351 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.545 9.804 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.414 8.551 0.863 1.00 0.00 H new ATOM 241 N HIS A 19 8.946 8.459 4.284 1.00 0.00 N ATOM 242 CA HIS A 19 8.106 7.309 4.600 1.00 0.00 C ATOM 243 C HIS A 19 6.899 7.246 3.668 1.00 0.00 C ATOM 244 O HIS A 19 6.739 8.089 2.785 1.00 0.00 O ATOM 245 CB HIS A 19 7.638 7.376 6.054 1.00 0.00 C ATOM 246 CG HIS A 19 8.651 6.866 7.033 1.00 0.00 C ATOM 247 ND1 HIS A 19 8.753 5.537 7.386 1.00 0.00 N ATOM 248 CD2 HIS A 19 9.610 7.514 7.733 1.00 0.00 C ATOM 249 CE1 HIS A 19 9.731 5.390 8.262 1.00 0.00 C ATOM 250 NE2 HIS A 19 10.268 6.575 8.489 1.00 0.00 N ATOM 0 H HIS A 19 8.652 9.330 4.726 1.00 0.00 H new ATOM 0 HA HIS A 19 8.701 6.406 4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.394 8.409 6.301 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.720 6.798 6.159 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.819 8.573 7.703 1.00 0.00 H new ATOM 0 HE1 HIS A 19 10.039 4.459 8.715 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.045 6.762 9.123 1.00 0.00 H new ATOM 259 N LEU A 20 6.055 6.241 3.869 1.00 0.00 N ATOM 260 CA LEU A 20 4.863 6.066 3.046 1.00 0.00 C ATOM 261 C LEU A 20 3.657 6.753 3.681 1.00 0.00 C ATOM 262 O LEU A 20 2.806 7.304 2.985 1.00 0.00 O ATOM 263 CB LEU A 20 4.570 4.578 2.847 1.00 0.00 C ATOM 264 CG LEU A 20 5.332 3.890 1.714 1.00 0.00 C ATOM 265 CD1 LEU A 20 4.882 4.428 0.364 1.00 0.00 C ATOM 266 CD2 LEU A 20 6.832 4.076 1.891 1.00 0.00 C ATOM 0 H LEU A 20 6.173 5.534 4.595 1.00 0.00 H new ATOM 0 HA LEU A 20 5.051 6.526 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.794 4.056 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.502 4.460 2.664 1.00 0.00 H new ATOM 0 HG LEU A 20 5.111 2.823 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.435 3.927 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.815 4.243 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.072 5.500 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.359 3.580 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.070 5.140 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.143 3.642 2.841 1.00 0.00 H new ATOM 278 N GLY A 21 3.593 6.716 5.009 1.00 0.00 N ATOM 279 CA GLY A 21 2.490 7.340 5.716 1.00 0.00 C ATOM 280 C GLY A 21 1.255 6.462 5.753 1.00 0.00 C ATOM 281 O GLY A 21 0.132 6.952 5.635 1.00 0.00 O ATOM 0 H GLY A 21 4.285 6.265 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.799 7.570 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.244 8.287 5.236 1.00 0.00 H new ATOM 285 N VAL A 22 1.462 5.159 5.917 1.00 0.00 N ATOM 286 CA VAL A 22 0.356 4.210 5.969 1.00 0.00 C ATOM 287 C VAL A 22 0.530 3.226 7.120 1.00 0.00 C ATOM 288 O VAL A 22 1.646 2.982 7.580 1.00 0.00 O ATOM 289 CB VAL A 22 0.229 3.424 4.651 1.00 0.00 C ATOM 290 CG1 VAL A 22 -0.027 4.369 3.487 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.478 2.590 4.406 1.00 0.00 C ATOM 0 H VAL A 22 2.385 4.737 6.016 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.553 4.791 6.126 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.622 2.748 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.114 3.795 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.952 4.918 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.801 5.072 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.371 2.041 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.347 3.245 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.612 1.885 5.227 1.00 0.00 H new ATOM 301 N THR A 23 -0.582 2.663 7.583 1.00 0.00 N ATOM 302 CA THR A 23 -0.553 1.706 8.682 1.00 0.00 C ATOM 303 C THR A 23 -1.096 0.351 8.244 1.00 0.00 C ATOM 304 O THR A 23 -2.240 0.242 7.802 1.00 0.00 O ATOM 305 CB THR A 23 -1.371 2.209 9.887 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.650 2.680 9.449 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.634 3.326 10.612 1.00 0.00 C ATOM 0 H THR A 23 -1.514 2.853 7.214 1.00 0.00 H new ATOM 0 HA THR A 23 0.490 1.598 8.980 1.00 0.00 H new ATOM 0 HB THR A 23 -1.508 1.377 10.578 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.688 3.655 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.230 3.665 11.459 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.327 2.956 10.970 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.470 4.158 9.927 1.00 0.00 H new ATOM 315 N PHE A 24 -0.270 -0.682 8.371 1.00 0.00 N ATOM 316 CA PHE A 24 -0.668 -2.032 7.989 1.00 0.00 C ATOM 317 C PHE A 24 -1.108 -2.836 9.209 1.00 0.00 C ATOM 318 O PHE A 24 -0.563 -2.675 10.301 1.00 0.00 O ATOM 319 CB PHE A 24 0.487 -2.746 7.283 1.00 0.00 C ATOM 320 CG PHE A 24 0.984 -2.021 6.065 1.00 0.00 C ATOM 321 CD1 PHE A 24 1.925 -1.011 6.179 1.00 0.00 C ATOM 322 CD2 PHE A 24 0.511 -2.351 4.805 1.00 0.00 C ATOM 323 CE1 PHE A 24 2.386 -0.343 5.060 1.00 0.00 C ATOM 324 CE2 PHE A 24 0.967 -1.687 3.682 1.00 0.00 C ATOM 325 CZ PHE A 24 1.905 -0.680 3.810 1.00 0.00 C ATOM 0 H PHE A 24 0.680 -0.610 8.736 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.512 -1.955 7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.312 -2.868 7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.163 -3.746 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.303 -0.742 7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.223 -3.136 4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.121 0.441 5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.591 -1.955 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.261 -0.158 2.934 1.00 0.00 H new ATOM 335 N ARG A 25 -2.098 -3.701 9.014 1.00 0.00 N ATOM 336 CA ARG A 25 -2.613 -4.529 10.097 1.00 0.00 C ATOM 337 C ARG A 25 -2.475 -6.011 9.762 1.00 0.00 C ATOM 338 O ARG A 25 -2.546 -6.404 8.597 1.00 0.00 O ATOM 339 CB ARG A 25 -4.079 -4.191 10.373 1.00 0.00 C ATOM 340 CG ARG A 25 -4.976 -4.331 9.154 1.00 0.00 C ATOM 341 CD ARG A 25 -6.447 -4.332 9.541 1.00 0.00 C ATOM 342 NE ARG A 25 -6.777 -3.228 10.438 1.00 0.00 N ATOM 343 CZ ARG A 25 -7.891 -3.174 11.158 1.00 0.00 C ATOM 344 NH1 ARG A 25 -8.779 -4.157 11.087 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.121 -2.136 11.952 1.00 0.00 N ATOM 0 H ARG A 25 -2.559 -3.846 8.116 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.025 -4.321 10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.451 -4.843 11.164 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.143 -3.169 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.781 -3.512 8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.736 -5.256 8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.059 -4.264 8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.694 -5.278 10.023 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.115 -2.456 10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.607 -4.957 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.634 -4.113 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.441 -1.378 12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.978 -2.096 12.504 1.00 0.00 H new ATOM 359 N VAL A 26 -2.278 -6.830 10.790 1.00 0.00 N ATOM 360 CA VAL A 26 -2.132 -8.268 10.605 1.00 0.00 C ATOM 361 C VAL A 26 -3.486 -8.967 10.633 1.00 0.00 C ATOM 362 O VAL A 26 -4.129 -9.054 11.678 1.00 0.00 O ATOM 363 CB VAL A 26 -1.226 -8.884 11.689 1.00 0.00 C ATOM 364 CG1 VAL A 26 -1.090 -10.385 11.481 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.138 -8.211 11.689 1.00 0.00 C ATOM 0 H VAL A 26 -2.216 -6.521 11.760 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.671 -8.416 9.628 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.687 -8.717 12.662 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.447 -10.803 12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.074 -10.851 11.536 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.652 -10.578 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.765 -8.658 12.461 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.610 -8.345 10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.019 -7.147 11.891 1.00 0.00 H new ATOM 375 N GLU A 27 -3.913 -9.464 9.476 1.00 0.00 N ATOM 376 CA GLU A 27 -5.192 -10.156 9.368 1.00 0.00 C ATOM 377 C GLU A 27 -5.093 -11.338 8.409 1.00 0.00 C ATOM 378 O GLU A 27 -4.754 -11.175 7.237 1.00 0.00 O ATOM 379 CB GLU A 27 -6.281 -9.190 8.894 1.00 0.00 C ATOM 380 CG GLU A 27 -5.774 -8.127 7.934 1.00 0.00 C ATOM 381 CD GLU A 27 -6.852 -7.632 6.989 1.00 0.00 C ATOM 382 OE1 GLU A 27 -7.354 -8.444 6.184 1.00 0.00 O ATOM 383 OE2 GLU A 27 -7.194 -6.433 7.055 1.00 0.00 O ATOM 0 H GLU A 27 -3.392 -9.400 8.601 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.456 -10.534 10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.073 -9.759 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.725 -8.702 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.382 -7.285 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.945 -8.533 7.353 1.00 0.00 H new ATOM 390 N GLY A 28 -5.390 -12.531 8.916 1.00 0.00 N ATOM 391 CA GLY A 28 -5.327 -13.724 8.092 1.00 0.00 C ATOM 392 C GLY A 28 -3.941 -13.967 7.527 1.00 0.00 C ATOM 393 O GLY A 28 -3.775 -14.132 6.320 1.00 0.00 O ATOM 0 H GLY A 28 -5.673 -12.692 9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.631 -14.587 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.039 -13.633 7.272 1.00 0.00 H new ATOM 397 N GLY A 29 -2.942 -13.986 8.404 1.00 0.00 N ATOM 398 CA GLY A 29 -1.576 -14.209 7.967 1.00 0.00 C ATOM 399 C GLY A 29 -1.194 -13.335 6.789 1.00 0.00 C ATOM 400 O GLY A 29 -0.226 -13.620 6.085 1.00 0.00 O ATOM 0 H GLY A 29 -3.054 -13.851 9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.896 -14.013 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.452 -15.257 7.693 1.00 0.00 H new ATOM 404 N GLU A 30 -1.958 -12.268 6.574 1.00 0.00 N ATOM 405 CA GLU A 30 -1.695 -11.351 5.471 1.00 0.00 C ATOM 406 C GLU A 30 -1.658 -9.907 5.961 1.00 0.00 C ATOM 407 O GLU A 30 -2.288 -9.562 6.962 1.00 0.00 O ATOM 408 CB GLU A 30 -2.762 -11.505 4.385 1.00 0.00 C ATOM 409 CG GLU A 30 -2.692 -12.831 3.647 1.00 0.00 C ATOM 410 CD GLU A 30 -3.278 -12.753 2.250 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.520 -12.698 2.131 1.00 0.00 O ATOM 412 OE2 GLU A 30 -2.495 -12.748 1.277 1.00 0.00 O ATOM 0 H GLU A 30 -2.763 -12.018 7.148 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.720 -11.599 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.748 -11.403 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.657 -10.693 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.653 -13.153 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.226 -13.590 4.219 1.00 0.00 H new ATOM 419 N LEU A 31 -0.915 -9.066 5.251 1.00 0.00 N ATOM 420 CA LEU A 31 -0.794 -7.658 5.613 1.00 0.00 C ATOM 421 C LEU A 31 -1.702 -6.792 4.745 1.00 0.00 C ATOM 422 O LEU A 31 -1.646 -6.853 3.516 1.00 0.00 O ATOM 423 CB LEU A 31 0.658 -7.197 5.469 1.00 0.00 C ATOM 424 CG LEU A 31 1.538 -7.358 6.709 1.00 0.00 C ATOM 425 CD1 LEU A 31 2.971 -6.948 6.403 1.00 0.00 C ATOM 426 CD2 LEU A 31 0.984 -6.540 7.867 1.00 0.00 C ATOM 0 H LEU A 31 -0.387 -9.334 4.421 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.103 -7.548 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.115 -7.751 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.658 -6.145 5.182 1.00 0.00 H new ATOM 0 HG LEU A 31 1.535 -8.409 6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.583 -7.069 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.367 -7.576 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.992 -5.905 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.623 -6.667 8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.956 -5.487 7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.024 -6.880 8.103 1.00 0.00 H new ATOM 438 N VAL A 32 -2.537 -5.985 5.392 1.00 0.00 N ATOM 439 CA VAL A 32 -3.455 -5.105 4.679 1.00 0.00 C ATOM 440 C VAL A 32 -3.386 -3.683 5.225 1.00 0.00 C ATOM 441 O VAL A 32 -3.282 -3.475 6.434 1.00 0.00 O ATOM 442 CB VAL A 32 -4.906 -5.610 4.776 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.829 -4.751 3.925 1.00 0.00 C ATOM 444 CG2 VAL A 32 -4.990 -7.071 4.359 1.00 0.00 C ATOM 0 H VAL A 32 -2.597 -5.923 6.408 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.147 -5.106 3.633 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.231 -5.532 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.850 -5.123 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.790 -3.719 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.509 -4.794 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.023 -7.412 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.647 -7.176 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.361 -7.673 5.015 1.00 0.00 H new ATOM 454 N ILE A 33 -3.447 -2.706 4.325 1.00 0.00 N ATOM 455 CA ILE A 33 -3.393 -1.303 4.717 1.00 0.00 C ATOM 456 C ILE A 33 -4.600 -0.924 5.569 1.00 0.00 C ATOM 457 O ILE A 33 -5.689 -0.682 5.049 1.00 0.00 O ATOM 458 CB ILE A 33 -3.336 -0.378 3.487 1.00 0.00 C ATOM 459 CG1 ILE A 33 -1.949 -0.433 2.844 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.687 1.049 3.882 1.00 0.00 C ATOM 461 CD1 ILE A 33 -1.875 0.270 1.507 1.00 0.00 C ATOM 0 H ILE A 33 -3.534 -2.861 3.321 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.483 -1.173 5.302 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.068 -0.723 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.225 0.017 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.659 -1.476 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.643 1.691 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.694 1.074 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.976 1.405 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.863 0.191 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.575 -0.195 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.134 1.321 1.634 1.00 0.00 H new ATOM 473 N ALA A 34 -4.397 -0.872 6.882 1.00 0.00 N ATOM 474 CA ALA A 34 -5.467 -0.519 7.806 1.00 0.00 C ATOM 475 C ALA A 34 -5.950 0.908 7.567 1.00 0.00 C ATOM 476 O ALA A 34 -7.149 1.154 7.439 1.00 0.00 O ATOM 477 CB ALA A 34 -4.999 -0.686 9.244 1.00 0.00 C ATOM 0 H ALA A 34 -3.502 -1.070 7.329 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.305 -1.193 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.808 -0.419 9.923 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.710 -1.723 9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.143 -0.036 9.426 1.00 0.00 H new ATOM 483 N ARG A 35 -5.008 1.844 7.510 1.00 0.00 N ATOM 484 CA ARG A 35 -5.338 3.247 7.289 1.00 0.00 C ATOM 485 C ARG A 35 -4.251 3.939 6.472 1.00 0.00 C ATOM 486 O ARG A 35 -3.131 3.438 6.360 1.00 0.00 O ATOM 487 CB ARG A 35 -5.522 3.967 8.626 1.00 0.00 C ATOM 488 CG ARG A 35 -5.249 5.460 8.557 1.00 0.00 C ATOM 489 CD ARG A 35 -5.449 6.127 9.909 1.00 0.00 C ATOM 490 NE ARG A 35 -6.860 6.209 10.275 1.00 0.00 N ATOM 491 CZ ARG A 35 -7.736 6.992 9.656 1.00 0.00 C ATOM 492 NH1 ARG A 35 -7.348 7.757 8.645 1.00 0.00 N ATOM 493 NH2 ARG A 35 -9.004 7.011 10.048 1.00 0.00 N ATOM 0 H ARG A 35 -4.011 1.656 7.614 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.272 3.290 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.542 3.809 8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.858 3.519 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.228 5.629 8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.911 5.918 7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.908 5.568 10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.022 7.129 9.885 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.191 5.633 11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.374 7.745 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.023 8.357 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.306 6.424 10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.676 7.613 9.572 1.00 0.00 H new ATOM 507 N ILE A 36 -4.588 5.091 5.903 1.00 0.00 N ATOM 508 CA ILE A 36 -3.641 5.852 5.098 1.00 0.00 C ATOM 509 C ILE A 36 -3.602 7.314 5.528 1.00 0.00 C ATOM 510 O ILE A 36 -4.489 8.097 5.185 1.00 0.00 O ATOM 511 CB ILE A 36 -3.990 5.778 3.599 1.00 0.00 C ATOM 512 CG1 ILE A 36 -4.028 4.322 3.133 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.985 6.576 2.782 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.588 4.148 1.739 1.00 0.00 C ATOM 0 H ILE A 36 -5.511 5.518 5.985 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.660 5.404 5.258 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.978 6.213 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.018 3.913 3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.629 3.741 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.244 6.514 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.003 7.618 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.986 6.168 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.585 3.090 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.610 4.527 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.974 4.701 1.028 1.00 0.00 H new ATOM 526 N LEU A 37 -2.570 7.676 6.281 1.00 0.00 N ATOM 527 CA LEU A 37 -2.413 9.046 6.757 1.00 0.00 C ATOM 528 C LEU A 37 -2.527 10.040 5.606 1.00 0.00 C ATOM 529 O LEU A 37 -1.614 10.167 4.789 1.00 0.00 O ATOM 530 CB LEU A 37 -1.064 9.212 7.458 1.00 0.00 C ATOM 531 CG LEU A 37 -0.946 8.584 8.847 1.00 0.00 C ATOM 532 CD1 LEU A 37 -0.918 7.067 8.746 1.00 0.00 C ATOM 533 CD2 LEU A 37 0.296 9.096 9.561 1.00 0.00 C ATOM 0 H LEU A 37 -1.829 7.040 6.575 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.213 9.250 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.291 8.783 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.851 10.277 7.544 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.820 8.873 9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.834 6.637 9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.837 6.717 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.063 6.758 8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.363 8.638 10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.182 8.838 8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.234 10.179 9.667 1.00 0.00 H new ATOM 545 N HIS A 38 -3.653 10.744 5.548 1.00 0.00 N ATOM 546 CA HIS A 38 -3.885 11.729 4.498 1.00 0.00 C ATOM 547 C HIS A 38 -2.590 12.449 4.132 1.00 0.00 C ATOM 548 O HIS A 38 -2.320 12.705 2.959 1.00 0.00 O ATOM 549 CB HIS A 38 -4.937 12.745 4.945 1.00 0.00 C ATOM 550 CG HIS A 38 -5.123 13.878 3.984 1.00 0.00 C ATOM 551 ND1 HIS A 38 -4.881 15.194 4.316 1.00 0.00 N ATOM 552 CD2 HIS A 38 -5.528 13.886 2.692 1.00 0.00 C ATOM 553 CE1 HIS A 38 -5.130 15.963 3.272 1.00 0.00 C ATOM 554 NE2 HIS A 38 -5.524 15.194 2.273 1.00 0.00 N ATOM 0 H HIS A 38 -4.419 10.651 6.216 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.250 11.203 3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.890 12.233 5.079 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.651 13.147 5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.803 13.025 2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.029 17.038 3.240 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.783 15.519 1.342 1.00 0.00 H new ATOM 563 N GLY A 39 -1.792 12.774 5.145 1.00 0.00 N ATOM 564 CA GLY A 39 -0.536 13.461 4.909 1.00 0.00 C ATOM 565 C GLY A 39 0.616 12.503 4.681 1.00 0.00 C ATOM 566 O GLY A 39 1.465 12.323 5.553 1.00 0.00 O ATOM 0 H GLY A 39 -1.993 12.574 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.640 14.113 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.309 14.100 5.762 1.00 0.00 H new ATOM 570 N GLY A 40 0.644 11.883 3.505 1.00 0.00 N ATOM 571 CA GLY A 40 1.704 10.943 3.187 1.00 0.00 C ATOM 572 C GLY A 40 1.827 10.690 1.698 1.00 0.00 C ATOM 573 O GLY A 40 1.189 11.367 0.892 1.00 0.00 O ATOM 0 H GLY A 40 -0.048 12.015 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.651 11.326 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.514 9.999 3.698 1.00 0.00 H new ATOM 577 N MET A 41 2.649 9.713 1.331 1.00 0.00 N ATOM 578 CA MET A 41 2.854 9.372 -0.072 1.00 0.00 C ATOM 579 C MET A 41 1.589 8.768 -0.674 1.00 0.00 C ATOM 580 O MET A 41 0.925 9.392 -1.502 1.00 0.00 O ATOM 581 CB MET A 41 4.020 8.393 -0.216 1.00 0.00 C ATOM 582 CG MET A 41 4.027 7.647 -1.541 1.00 0.00 C ATOM 583 SD MET A 41 4.388 8.722 -2.942 1.00 0.00 S ATOM 584 CE MET A 41 6.175 8.616 -2.998 1.00 0.00 C ATOM 0 H MET A 41 3.184 9.143 1.986 1.00 0.00 H new ATOM 0 HA MET A 41 3.091 10.288 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.957 8.939 -0.111 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.979 7.670 0.599 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.768 6.849 -1.500 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.057 7.174 -1.692 1.00 0.00 H new ATOM 0 HE1 MET A 41 6.582 9.541 -3.407 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.562 8.464 -1.991 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.470 7.779 -3.630 1.00 0.00 H new ATOM 594 N VAL A 42 1.263 7.550 -0.254 1.00 0.00 N ATOM 595 CA VAL A 42 0.078 6.862 -0.752 1.00 0.00 C ATOM 596 C VAL A 42 -1.103 7.818 -0.872 1.00 0.00 C ATOM 597 O VAL A 42 -1.929 7.691 -1.775 1.00 0.00 O ATOM 598 CB VAL A 42 -0.317 5.688 0.165 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.674 5.130 -0.236 1.00 0.00 C ATOM 600 CG2 VAL A 42 0.748 4.602 0.127 1.00 0.00 C ATOM 0 H VAL A 42 1.803 7.019 0.430 1.00 0.00 H new ATOM 0 HA VAL A 42 0.329 6.474 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.391 6.057 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.936 4.302 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.428 5.913 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.632 4.775 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.453 3.780 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.856 4.234 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.699 5.013 0.467 1.00 0.00 H new ATOM 610 N ALA A 43 -1.177 8.776 0.046 1.00 0.00 N ATOM 611 CA ALA A 43 -2.256 9.757 0.043 1.00 0.00 C ATOM 612 C ALA A 43 -2.354 10.459 -1.307 1.00 0.00 C ATOM 613 O ALA A 43 -3.425 10.515 -1.911 1.00 0.00 O ATOM 614 CB ALA A 43 -2.049 10.773 1.155 1.00 0.00 C ATOM 0 H ALA A 43 -0.502 8.894 0.802 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.194 9.230 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.862 11.499 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.036 10.262 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.100 11.288 1.005 1.00 0.00 H new ATOM 620 N GLN A 44 -1.231 10.994 -1.774 1.00 0.00 N ATOM 621 CA GLN A 44 -1.192 11.694 -3.053 1.00 0.00 C ATOM 622 C GLN A 44 -1.075 10.708 -4.210 1.00 0.00 C ATOM 623 O GLN A 44 -1.153 11.094 -5.376 1.00 0.00 O ATOM 624 CB GLN A 44 -0.021 12.678 -3.084 1.00 0.00 C ATOM 625 CG GLN A 44 -0.061 13.708 -1.967 1.00 0.00 C ATOM 626 CD GLN A 44 -1.167 14.728 -2.154 1.00 0.00 C ATOM 627 OE1 GLN A 44 -1.932 14.663 -3.116 1.00 0.00 O ATOM 628 NE2 GLN A 44 -1.256 15.680 -1.232 1.00 0.00 N ATOM 0 H GLN A 44 -0.336 10.956 -1.286 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.125 12.247 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.913 12.120 -3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.017 13.195 -4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.199 13.199 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.899 14.223 -1.918 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.601 15.696 -0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.980 16.395 -1.305 1.00 0.00 H new ATOM 637 N GLN A 45 -0.887 9.435 -3.879 1.00 0.00 N ATOM 638 CA GLN A 45 -0.758 8.394 -4.893 1.00 0.00 C ATOM 639 C GLN A 45 -2.036 7.567 -4.990 1.00 0.00 C ATOM 640 O GLN A 45 -2.425 6.894 -4.036 1.00 0.00 O ATOM 641 CB GLN A 45 0.429 7.484 -4.571 1.00 0.00 C ATOM 642 CG GLN A 45 1.742 7.964 -5.168 1.00 0.00 C ATOM 643 CD GLN A 45 1.667 8.149 -6.671 1.00 0.00 C ATOM 644 OE1 GLN A 45 0.749 7.652 -7.324 1.00 0.00 O ATOM 645 NE2 GLN A 45 2.635 8.867 -7.228 1.00 0.00 N ATOM 0 H GLN A 45 -0.821 9.099 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.586 8.878 -5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.537 7.410 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.217 6.480 -4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.024 8.909 -4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.528 7.246 -4.933 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.376 9.260 -6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.637 9.025 -8.236 1.00 0.00 H new ATOM 654 N GLY A 46 -2.685 7.624 -6.149 1.00 0.00 N ATOM 655 CA GLY A 46 -3.912 6.876 -6.348 1.00 0.00 C ATOM 656 C GLY A 46 -3.656 5.437 -6.752 1.00 0.00 C ATOM 657 O GLY A 46 -4.408 4.862 -7.539 1.00 0.00 O ATOM 0 H GLY A 46 -2.383 8.174 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.497 6.893 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.511 7.365 -7.116 1.00 0.00 H new ATOM 661 N LEU A 47 -2.591 4.855 -6.212 1.00 0.00 N ATOM 662 CA LEU A 47 -2.236 3.474 -6.522 1.00 0.00 C ATOM 663 C LEU A 47 -2.726 2.528 -5.430 1.00 0.00 C ATOM 664 O LEU A 47 -3.471 1.585 -5.700 1.00 0.00 O ATOM 665 CB LEU A 47 -0.720 3.341 -6.686 1.00 0.00 C ATOM 666 CG LEU A 47 0.007 4.573 -7.225 1.00 0.00 C ATOM 667 CD1 LEU A 47 1.480 4.530 -6.850 1.00 0.00 C ATOM 668 CD2 LEU A 47 -0.158 4.671 -8.735 1.00 0.00 C ATOM 0 H LEU A 47 -1.959 5.317 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.722 3.201 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.291 3.086 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.519 2.504 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.436 5.460 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.981 5.415 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.579 4.508 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.937 3.636 -7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.366 5.554 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.259 3.780 -9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.217 4.749 -8.981 1.00 0.00 H new ATOM 680 N LEU A 48 -2.305 2.787 -4.197 1.00 0.00 N ATOM 681 CA LEU A 48 -2.702 1.960 -3.063 1.00 0.00 C ATOM 682 C LEU A 48 -3.868 2.593 -2.310 1.00 0.00 C ATOM 683 O LEU A 48 -4.108 3.796 -2.414 1.00 0.00 O ATOM 684 CB LEU A 48 -1.519 1.756 -2.116 1.00 0.00 C ATOM 685 CG LEU A 48 -0.187 1.392 -2.774 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.977 1.822 -1.895 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.122 -0.101 -3.056 1.00 0.00 C ATOM 0 H LEU A 48 -1.689 3.563 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.023 0.991 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.379 2.671 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.778 0.969 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.115 1.924 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.916 1.555 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.940 2.901 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.910 1.319 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.832 -0.342 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.217 -0.652 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.935 -0.381 -3.726 1.00 0.00 H new ATOM 699 N HIS A 49 -4.589 1.774 -1.550 1.00 0.00 N ATOM 700 CA HIS A 49 -5.728 2.255 -0.777 1.00 0.00 C ATOM 701 C HIS A 49 -6.030 1.315 0.387 1.00 0.00 C ATOM 702 O HIS A 49 -5.350 0.306 0.576 1.00 0.00 O ATOM 703 CB HIS A 49 -6.960 2.387 -1.672 1.00 0.00 C ATOM 704 CG HIS A 49 -7.348 1.109 -2.351 1.00 0.00 C ATOM 705 ND1 HIS A 49 -7.545 -0.134 -1.852 1.00 0.00 N flip ATOM 706 CD2 HIS A 49 -7.576 1.017 -3.708 1.00 0.00 C flip ATOM 707 CE1 HIS A 49 -7.887 -0.945 -2.905 1.00 0.00 C flip ATOM 708 NE2 HIS A 49 -7.899 -0.227 -4.014 1.00 0.00 N flip ATOM 0 H HIS A 49 -4.405 0.775 -1.453 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.474 3.235 -0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.799 2.739 -1.072 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -6.769 3.147 -2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.502 1.834 -4.411 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.110 -2.000 -2.838 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.120 -0.574 -4.947 1.00 0.00 H new ATOM 717 N VAL A 50 -7.052 1.654 1.166 1.00 0.00 N ATOM 718 CA VAL A 50 -7.444 0.841 2.311 1.00 0.00 C ATOM 719 C VAL A 50 -7.959 -0.523 1.866 1.00 0.00 C ATOM 720 O VAL A 50 -8.996 -0.623 1.212 1.00 0.00 O ATOM 721 CB VAL A 50 -8.530 1.540 3.150 1.00 0.00 C ATOM 722 CG1 VAL A 50 -8.987 0.640 4.288 1.00 0.00 C ATOM 723 CG2 VAL A 50 -8.018 2.869 3.684 1.00 0.00 C ATOM 0 H VAL A 50 -7.624 2.487 1.025 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.553 0.707 2.924 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.388 1.739 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.754 1.151 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.396 -0.284 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.138 0.408 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.799 3.349 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.143 2.696 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.745 3.515 2.850 1.00 0.00 H new ATOM 733 N GLY A 51 -7.227 -1.572 2.227 1.00 0.00 N ATOM 734 CA GLY A 51 -7.626 -2.918 1.857 1.00 0.00 C ATOM 735 C GLY A 51 -6.752 -3.501 0.764 1.00 0.00 C ATOM 736 O GLY A 51 -7.243 -4.192 -0.129 1.00 0.00 O ATOM 0 H GLY A 51 -6.365 -1.514 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.582 -3.561 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.663 -2.907 1.522 1.00 0.00 H new ATOM 740 N ASP A 52 -5.455 -3.222 0.833 1.00 0.00 N ATOM 741 CA ASP A 52 -4.511 -3.724 -0.159 1.00 0.00 C ATOM 742 C ASP A 52 -3.583 -4.768 0.454 1.00 0.00 C ATOM 743 O ASP A 52 -2.924 -4.512 1.462 1.00 0.00 O ATOM 744 CB ASP A 52 -3.690 -2.573 -0.741 1.00 0.00 C ATOM 745 CG ASP A 52 -4.359 -1.934 -1.943 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.256 -2.573 -2.530 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.984 -0.796 -2.296 1.00 0.00 O ATOM 0 H ASP A 52 -5.033 -2.651 1.565 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.080 -4.195 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.533 -1.817 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.706 -2.942 -1.030 1.00 0.00 H new ATOM 752 N ILE A 53 -3.538 -5.945 -0.160 1.00 0.00 N ATOM 753 CA ILE A 53 -2.691 -7.028 0.325 1.00 0.00 C ATOM 754 C ILE A 53 -1.346 -7.037 -0.393 1.00 0.00 C ATOM 755 O ILE A 53 -1.286 -7.135 -1.619 1.00 0.00 O ATOM 756 CB ILE A 53 -3.368 -8.399 0.141 1.00 0.00 C ATOM 757 CG1 ILE A 53 -4.736 -8.412 0.825 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.482 -9.505 0.693 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.852 -7.874 -0.043 1.00 0.00 C ATOM 0 H ILE A 53 -4.078 -6.173 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.532 -6.851 1.389 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.514 -8.576 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.976 -9.434 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.681 -7.821 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.974 -10.468 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.529 -9.506 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.307 -9.335 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.792 -7.914 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.635 -6.841 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.934 -8.479 -0.946 1.00 0.00 H new ATOM 771 N ILE A 54 -0.269 -6.936 0.378 1.00 0.00 N ATOM 772 CA ILE A 54 1.076 -6.936 -0.184 1.00 0.00 C ATOM 773 C ILE A 54 1.663 -8.344 -0.205 1.00 0.00 C ATOM 774 O ILE A 54 1.492 -9.115 0.739 1.00 0.00 O ATOM 775 CB ILE A 54 2.018 -6.012 0.609 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.301 -4.711 0.977 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.276 -5.720 -0.196 1.00 0.00 C ATOM 778 CD1 ILE A 54 2.025 -3.897 2.026 1.00 0.00 C ATOM 0 H ILE A 54 -0.301 -6.853 1.394 1.00 0.00 H new ATOM 0 HA ILE A 54 0.991 -6.564 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 54 2.309 -6.518 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.180 -4.106 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.300 -4.947 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.932 -5.066 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.795 -6.654 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.004 -5.231 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.459 -2.989 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.122 -4.484 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.016 -3.630 1.659 1.00 0.00 H new ATOM 790 N LYS A 55 2.358 -8.673 -1.289 1.00 0.00 N ATOM 791 CA LYS A 55 2.974 -9.986 -1.434 1.00 0.00 C ATOM 792 C LYS A 55 4.495 -9.880 -1.405 1.00 0.00 C ATOM 793 O LYS A 55 5.148 -10.435 -0.522 1.00 0.00 O ATOM 794 CB LYS A 55 2.523 -10.642 -2.741 1.00 0.00 C ATOM 795 CG LYS A 55 3.315 -11.887 -3.101 1.00 0.00 C ATOM 796 CD LYS A 55 2.842 -13.097 -2.313 1.00 0.00 C ATOM 797 CE LYS A 55 1.650 -13.765 -2.979 1.00 0.00 C ATOM 798 NZ LYS A 55 1.047 -14.816 -2.113 1.00 0.00 N ATOM 0 H LYS A 55 2.509 -8.047 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 55 2.654 -10.604 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.468 -10.903 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.612 -9.918 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.217 -12.086 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.373 -11.715 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.658 -13.814 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.571 -12.791 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.897 -13.013 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.964 -14.209 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.237 -15.247 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.758 -15.547 -1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.724 -14.388 -1.222 1.00 0.00 H new ATOM 812 N GLU A 56 5.053 -9.161 -2.375 1.00 0.00 N ATOM 813 CA GLU A 56 6.497 -8.982 -2.458 1.00 0.00 C ATOM 814 C GLU A 56 6.848 -7.536 -2.795 1.00 0.00 C ATOM 815 O GLU A 56 6.075 -6.834 -3.448 1.00 0.00 O ATOM 816 CB GLU A 56 7.090 -9.922 -3.510 1.00 0.00 C ATOM 817 CG GLU A 56 8.585 -9.742 -3.713 1.00 0.00 C ATOM 818 CD GLU A 56 9.136 -10.631 -4.811 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.963 -10.284 -5.998 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.740 -11.673 -4.483 1.00 0.00 O ATOM 0 H GLU A 56 4.527 -8.694 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 56 6.924 -9.223 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.893 -10.953 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.581 -9.759 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.792 -8.700 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.104 -9.960 -2.779 1.00 0.00 H new ATOM 827 N VAL A 57 8.019 -7.097 -2.345 1.00 0.00 N ATOM 828 CA VAL A 57 8.473 -5.735 -2.599 1.00 0.00 C ATOM 829 C VAL A 57 9.959 -5.706 -2.941 1.00 0.00 C ATOM 830 O VAL A 57 10.783 -6.264 -2.219 1.00 0.00 O ATOM 831 CB VAL A 57 8.219 -4.822 -1.384 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.820 -3.444 -1.616 1.00 0.00 C ATOM 833 CG2 VAL A 57 6.729 -4.722 -1.096 1.00 0.00 C ATOM 0 H VAL A 57 8.670 -7.665 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 57 7.900 -5.364 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 57 8.705 -5.261 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.630 -2.813 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.895 -3.537 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.366 -2.993 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.568 -4.073 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.218 -4.306 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.332 -5.714 -0.882 1.00 0.00 H new ATOM 843 N ASN A 58 10.293 -5.050 -4.048 1.00 0.00 N ATOM 844 CA ASN A 58 11.680 -4.947 -4.486 1.00 0.00 C ATOM 845 C ASN A 58 12.371 -6.306 -4.426 1.00 0.00 C ATOM 846 O ASN A 58 13.581 -6.390 -4.218 1.00 0.00 O ATOM 847 CB ASN A 58 12.437 -3.938 -3.621 1.00 0.00 C ATOM 848 CG ASN A 58 12.361 -2.529 -4.175 1.00 0.00 C ATOM 849 OD1 ASN A 58 12.163 -2.331 -5.374 1.00 0.00 O ATOM 850 ND2 ASN A 58 12.519 -1.541 -3.302 1.00 0.00 N ATOM 0 H ASN A 58 9.622 -4.582 -4.658 1.00 0.00 H new ATOM 0 HA ASN A 58 11.684 -4.602 -5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.028 -3.951 -2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.482 -4.240 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.478 -0.571 -3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.681 -1.752 -2.317 1.00 0.00 H new ATOM 857 N GLY A 59 11.593 -7.369 -4.609 1.00 0.00 N ATOM 858 CA GLY A 59 12.147 -8.709 -4.572 1.00 0.00 C ATOM 859 C GLY A 59 12.499 -9.153 -3.166 1.00 0.00 C ATOM 860 O GLY A 59 13.492 -9.849 -2.959 1.00 0.00 O ATOM 0 H GLY A 59 10.589 -7.325 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.429 -9.408 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.040 -8.747 -5.196 1.00 0.00 H new ATOM 864 N GLN A 60 11.683 -8.747 -2.198 1.00 0.00 N ATOM 865 CA GLN A 60 11.915 -9.106 -0.804 1.00 0.00 C ATOM 866 C GLN A 60 10.604 -9.448 -0.104 1.00 0.00 C ATOM 867 O GLN A 60 9.551 -8.878 -0.392 1.00 0.00 O ATOM 868 CB GLN A 60 12.615 -7.960 -0.070 1.00 0.00 C ATOM 869 CG GLN A 60 14.124 -7.954 -0.250 1.00 0.00 C ATOM 870 CD GLN A 60 14.830 -8.891 0.710 1.00 0.00 C ATOM 871 OE1 GLN A 60 15.180 -10.016 0.353 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.044 -8.431 1.937 1.00 0.00 N ATOM 0 H GLN A 60 10.856 -8.170 -2.353 1.00 0.00 H new ATOM 0 HA GLN A 60 12.557 -9.987 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.211 -7.012 -0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.385 -8.026 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.365 -8.240 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.499 -6.941 -0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.737 -7.492 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.515 -9.017 2.626 1.00 0.00 H new ATOM 881 N PRO A 61 10.666 -10.402 0.837 1.00 0.00 N ATOM 882 CA PRO A 61 9.493 -10.841 1.597 1.00 0.00 C ATOM 883 C PRO A 61 9.000 -9.775 2.570 1.00 0.00 C ATOM 884 O PRO A 61 9.796 -9.093 3.215 1.00 0.00 O ATOM 885 CB PRO A 61 10.002 -12.067 2.360 1.00 0.00 C ATOM 886 CG PRO A 61 11.472 -11.854 2.479 1.00 0.00 C ATOM 887 CD PRO A 61 11.887 -11.123 1.232 1.00 0.00 C ATOM 0 HA PRO A 61 8.642 -11.049 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.533 -12.146 3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.777 -12.989 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.711 -11.273 3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.998 -12.805 2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.714 -10.439 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.217 -11.811 0.454 1.00 0.00 H new ATOM 895 N VAL A 62 7.681 -9.638 2.672 1.00 0.00 N ATOM 896 CA VAL A 62 7.082 -8.656 3.568 1.00 0.00 C ATOM 897 C VAL A 62 6.468 -9.330 4.790 1.00 0.00 C ATOM 898 O VAL A 62 5.247 -9.409 4.920 1.00 0.00 O ATOM 899 CB VAL A 62 5.998 -7.830 2.851 1.00 0.00 C ATOM 900 CG1 VAL A 62 6.581 -7.122 1.638 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.830 -8.719 2.450 1.00 0.00 C ATOM 0 H VAL A 62 7.008 -10.195 2.145 1.00 0.00 H new ATOM 0 HA VAL A 62 7.883 -7.990 3.889 1.00 0.00 H new ATOM 0 HB VAL A 62 5.628 -7.071 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.800 -6.543 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.381 -6.454 1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.980 -7.860 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.073 -8.119 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.182 -9.501 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.397 -9.174 3.341 1.00 0.00 H new ATOM 911 N GLY A 63 7.323 -9.814 5.685 1.00 0.00 N ATOM 912 CA GLY A 63 6.846 -10.475 6.886 1.00 0.00 C ATOM 913 C GLY A 63 5.558 -9.870 7.407 1.00 0.00 C ATOM 914 O GLY A 63 5.393 -8.650 7.408 1.00 0.00 O ATOM 0 H GLY A 63 8.338 -9.760 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.688 -11.533 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.612 -10.414 7.659 1.00 0.00 H new ATOM 918 N SER A 64 4.641 -10.725 7.850 1.00 0.00 N ATOM 919 CA SER A 64 3.358 -10.268 8.371 1.00 0.00 C ATOM 920 C SER A 64 3.529 -8.997 9.197 1.00 0.00 C ATOM 921 O SER A 64 2.702 -8.087 9.136 1.00 0.00 O ATOM 922 CB SER A 64 2.712 -11.361 9.224 1.00 0.00 C ATOM 923 OG SER A 64 3.579 -11.774 10.267 1.00 0.00 O ATOM 0 H SER A 64 4.763 -11.738 7.858 1.00 0.00 H new ATOM 0 HA SER A 64 2.708 -10.046 7.525 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.778 -10.991 9.648 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.461 -12.216 8.596 1.00 0.00 H new ATOM 0 HG SER A 64 3.142 -12.472 10.799 1.00 0.00 H new ATOM 929 N ASP A 65 4.609 -8.941 9.969 1.00 0.00 N ATOM 930 CA ASP A 65 4.891 -7.782 10.808 1.00 0.00 C ATOM 931 C ASP A 65 4.771 -6.489 10.006 1.00 0.00 C ATOM 932 O ASP A 65 5.552 -6.223 9.092 1.00 0.00 O ATOM 933 CB ASP A 65 6.290 -7.893 11.415 1.00 0.00 C ATOM 934 CG ASP A 65 6.420 -9.071 12.360 1.00 0.00 C ATOM 935 OD1 ASP A 65 6.632 -10.201 11.873 1.00 0.00 O ATOM 936 OD2 ASP A 65 6.309 -8.863 13.586 1.00 0.00 O ATOM 0 H ASP A 65 5.304 -9.685 10.031 1.00 0.00 H new ATOM 0 HA ASP A 65 4.156 -7.759 11.613 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.023 -7.991 10.615 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.524 -6.973 11.951 1.00 0.00 H new ATOM 941 N PRO A 66 3.771 -5.667 10.355 1.00 0.00 N ATOM 942 CA PRO A 66 3.525 -4.389 9.680 1.00 0.00 C ATOM 943 C PRO A 66 4.608 -3.358 9.979 1.00 0.00 C ATOM 944 O PRO A 66 5.093 -2.674 9.077 1.00 0.00 O ATOM 945 CB PRO A 66 2.181 -3.936 10.256 1.00 0.00 C ATOM 946 CG PRO A 66 2.096 -4.602 11.586 1.00 0.00 C ATOM 947 CD PRO A 66 2.803 -5.921 11.435 1.00 0.00 C ATOM 0 HA PRO A 66 3.525 -4.494 8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.137 -2.851 10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.354 -4.232 9.611 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.567 -3.993 12.358 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.058 -4.748 11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.300 -6.219 12.358 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.110 -6.721 11.174 1.00 0.00 H new ATOM 955 N ARG A 67 4.983 -3.252 11.249 1.00 0.00 N ATOM 956 CA ARG A 67 6.008 -2.303 11.667 1.00 0.00 C ATOM 957 C ARG A 67 7.329 -2.583 10.957 1.00 0.00 C ATOM 958 O ARG A 67 8.138 -1.679 10.750 1.00 0.00 O ATOM 959 CB ARG A 67 6.207 -2.368 13.182 1.00 0.00 C ATOM 960 CG ARG A 67 4.905 -2.382 13.967 1.00 0.00 C ATOM 961 CD ARG A 67 5.085 -1.785 15.354 1.00 0.00 C ATOM 962 NE ARG A 67 5.955 -2.604 16.194 1.00 0.00 N ATOM 963 CZ ARG A 67 6.631 -2.130 17.234 1.00 0.00 C ATOM 964 NH1 ARG A 67 6.538 -0.848 17.561 1.00 0.00 N ATOM 965 NH2 ARG A 67 7.402 -2.938 17.950 1.00 0.00 N ATOM 0 H ARG A 67 4.592 -3.812 12.007 1.00 0.00 H new ATOM 0 HA ARG A 67 5.674 -1.302 11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.779 -3.263 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.803 -1.512 13.499 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.145 -1.820 13.424 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.543 -3.406 14.055 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.505 -0.783 15.266 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.111 -1.681 15.833 1.00 0.00 H new ATOM 0 HE ARG A 67 6.048 -3.595 15.969 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.946 -0.224 17.013 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.058 -0.487 18.360 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.476 -3.925 17.702 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.921 -2.573 18.749 1.00 0.00 H new ATOM 979 N ALA A 68 7.541 -3.842 10.588 1.00 0.00 N ATOM 980 CA ALA A 68 8.763 -4.242 9.901 1.00 0.00 C ATOM 981 C ALA A 68 8.690 -3.911 8.414 1.00 0.00 C ATOM 982 O ALA A 68 9.702 -3.597 7.787 1.00 0.00 O ATOM 983 CB ALA A 68 9.019 -5.728 10.100 1.00 0.00 C ATOM 0 H ALA A 68 6.882 -4.603 10.753 1.00 0.00 H new ATOM 0 HA ALA A 68 9.592 -3.681 10.332 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.935 -6.012 9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.124 -5.940 11.164 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.182 -6.299 9.697 1.00 0.00 H new ATOM 989 N LEU A 69 7.487 -3.983 7.855 1.00 0.00 N ATOM 990 CA LEU A 69 7.281 -3.692 6.440 1.00 0.00 C ATOM 991 C LEU A 69 7.456 -2.202 6.160 1.00 0.00 C ATOM 992 O LEU A 69 8.299 -1.807 5.356 1.00 0.00 O ATOM 993 CB LEU A 69 5.887 -4.145 6.003 1.00 0.00 C ATOM 994 CG LEU A 69 5.266 -3.374 4.838 1.00 0.00 C ATOM 995 CD1 LEU A 69 5.986 -3.699 3.538 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.782 -3.689 4.721 1.00 0.00 C ATOM 0 H LEU A 69 6.639 -4.240 8.360 1.00 0.00 H new ATOM 0 HA LEU A 69 8.030 -4.241 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.938 -5.199 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.217 -4.071 6.860 1.00 0.00 H new ATOM 0 HG LEU A 69 5.376 -2.307 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.530 -3.141 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.037 -3.422 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.908 -4.767 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.356 -3.132 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.649 -4.757 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.276 -3.404 5.643 1.00 0.00 H new ATOM 1008 N GLN A 70 6.654 -1.382 6.831 1.00 0.00 N ATOM 1009 CA GLN A 70 6.721 0.064 6.655 1.00 0.00 C ATOM 1010 C GLN A 70 8.163 0.555 6.727 1.00 0.00 C ATOM 1011 O GLN A 70 8.493 1.618 6.203 1.00 0.00 O ATOM 1012 CB GLN A 70 5.877 0.769 7.719 1.00 0.00 C ATOM 1013 CG GLN A 70 4.404 0.395 7.671 1.00 0.00 C ATOM 1014 CD GLN A 70 3.723 0.533 9.019 1.00 0.00 C ATOM 1015 OE1 GLN A 70 3.271 -0.587 9.571 1.00 0.00 O flip ATOM 1016 NE2 GLN A 70 3.605 1.633 9.559 1.00 0.00 N flip ATOM 0 H GLN A 70 5.951 -1.694 7.501 1.00 0.00 H new ATOM 0 HA GLN A 70 6.323 0.303 5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.273 0.527 8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.974 1.847 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.895 1.029 6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.305 -0.633 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.967 2.468 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.145 1.709 10.466 1.00 0.00 H new ATOM 1025 N GLU A 71 9.017 -0.227 7.380 1.00 0.00 N ATOM 1026 CA GLU A 71 10.424 0.130 7.520 1.00 0.00 C ATOM 1027 C GLU A 71 11.218 -0.292 6.288 1.00 0.00 C ATOM 1028 O GLU A 71 12.183 0.369 5.901 1.00 0.00 O ATOM 1029 CB GLU A 71 11.017 -0.524 8.771 1.00 0.00 C ATOM 1030 CG GLU A 71 12.521 -0.350 8.894 1.00 0.00 C ATOM 1031 CD GLU A 71 13.023 -0.594 10.304 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.497 -1.511 10.970 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.940 0.131 10.742 1.00 0.00 O ATOM 0 H GLU A 71 8.760 -1.111 7.820 1.00 0.00 H new ATOM 0 HA GLU A 71 10.489 1.214 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.537 -0.101 9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.783 -1.588 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.020 -1.037 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.793 0.659 8.585 1.00 0.00 H new ATOM 1040 N LEU A 72 10.806 -1.396 5.675 1.00 0.00 N ATOM 1041 CA LEU A 72 11.479 -1.908 4.486 1.00 0.00 C ATOM 1042 C LEU A 72 11.458 -0.876 3.362 1.00 0.00 C ATOM 1043 O LEU A 72 12.462 -0.663 2.681 1.00 0.00 O ATOM 1044 CB LEU A 72 10.813 -3.203 4.017 1.00 0.00 C ATOM 1045 CG LEU A 72 9.673 -3.045 3.011 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.219 -2.703 1.634 1.00 0.00 C ATOM 1047 CD2 LEU A 72 8.833 -4.313 2.954 1.00 0.00 C ATOM 0 H LEU A 72 10.009 -1.954 5.981 1.00 0.00 H new ATOM 0 HA LEU A 72 12.517 -2.114 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.577 -3.841 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.429 -3.728 4.892 1.00 0.00 H new ATOM 0 HG LEU A 72 9.035 -2.224 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.393 -2.595 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.777 -1.768 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.880 -3.501 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.026 -4.183 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.460 -5.151 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.411 -4.514 3.939 1.00 0.00 H new ATOM 1059 N LEU A 73 10.308 -0.237 3.175 1.00 0.00 N ATOM 1060 CA LEU A 73 10.157 0.775 2.135 1.00 0.00 C ATOM 1061 C LEU A 73 11.040 1.986 2.420 1.00 0.00 C ATOM 1062 O LEU A 73 11.620 2.572 1.507 1.00 0.00 O ATOM 1063 CB LEU A 73 8.694 1.210 2.029 1.00 0.00 C ATOM 1064 CG LEU A 73 7.705 0.135 1.577 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.323 0.406 2.151 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.650 0.066 0.058 1.00 0.00 C ATOM 0 H LEU A 73 9.468 -0.401 3.729 1.00 0.00 H new ATOM 0 HA LEU A 73 10.470 0.336 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.375 1.582 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.634 2.046 1.333 1.00 0.00 H new ATOM 0 HG LEU A 73 8.049 -0.829 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.633 -0.369 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.374 0.404 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.970 1.378 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.941 -0.704 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.331 1.030 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.639 -0.177 -0.331 1.00 0.00 H new ATOM 1078 N ARG A 74 11.138 2.353 3.694 1.00 0.00 N ATOM 1079 CA ARG A 74 11.951 3.493 4.100 1.00 0.00 C ATOM 1080 C ARG A 74 13.311 3.465 3.407 1.00 0.00 C ATOM 1081 O ARG A 74 13.764 4.473 2.867 1.00 0.00 O ATOM 1082 CB ARG A 74 12.140 3.498 5.618 1.00 0.00 C ATOM 1083 CG ARG A 74 13.037 4.618 6.117 1.00 0.00 C ATOM 1084 CD ARG A 74 13.084 4.660 7.636 1.00 0.00 C ATOM 1085 NE ARG A 74 14.043 5.645 8.127 1.00 0.00 N ATOM 1086 CZ ARG A 74 15.355 5.441 8.160 1.00 0.00 C ATOM 1087 NH1 ARG A 74 15.862 4.292 7.733 1.00 0.00 N ATOM 1088 NH2 ARG A 74 16.164 6.386 8.622 1.00 0.00 N ATOM 0 H ARG A 74 10.665 1.877 4.462 1.00 0.00 H new ATOM 0 HA ARG A 74 11.430 4.403 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.165 3.585 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.562 2.541 5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.045 4.481 5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.674 5.573 5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.093 4.895 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.349 3.674 8.018 1.00 0.00 H new ATOM 0 HE ARG A 74 13.686 6.539 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.244 3.562 7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.870 4.138 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.778 7.271 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.171 6.228 8.647 1.00 0.00 H new ATOM 1102 N ASN A 75 13.956 2.303 3.430 1.00 0.00 N ATOM 1103 CA ASN A 75 15.265 2.144 2.805 1.00 0.00 C ATOM 1104 C ASN A 75 15.129 1.581 1.394 1.00 0.00 C ATOM 1105 O ASN A 75 15.974 0.810 0.939 1.00 0.00 O ATOM 1106 CB ASN A 75 16.148 1.224 3.651 1.00 0.00 C ATOM 1107 CG ASN A 75 16.541 1.856 4.973 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.032 2.984 5.012 1.00 0.00 O ATOM 1109 ND2 ASN A 75 16.328 1.128 6.063 1.00 0.00 N ATOM 0 H ASN A 75 13.595 1.459 3.874 1.00 0.00 H new ATOM 0 HA ASN A 75 15.732 3.127 2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.619 0.290 3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.048 0.972 3.090 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.574 1.500 6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.918 0.197 5.983 1.00 0.00 H new ATOM 1116 N ALA A 76 14.060 1.971 0.707 1.00 0.00 N ATOM 1117 CA ALA A 76 13.815 1.508 -0.653 1.00 0.00 C ATOM 1118 C ALA A 76 13.743 2.679 -1.627 1.00 0.00 C ATOM 1119 O ALA A 76 12.661 3.177 -1.935 1.00 0.00 O ATOM 1120 CB ALA A 76 12.532 0.692 -0.709 1.00 0.00 C ATOM 0 H ALA A 76 13.350 2.607 1.070 1.00 0.00 H new ATOM 0 HA ALA A 76 14.650 0.873 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.361 0.352 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.621 -0.171 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.694 1.310 -0.387 1.00 0.00 H new ATOM 1126 N SER A 77 14.903 3.113 -2.109 1.00 0.00 N ATOM 1127 CA SER A 77 14.972 4.229 -3.046 1.00 0.00 C ATOM 1128 C SER A 77 14.829 3.741 -4.484 1.00 0.00 C ATOM 1129 O SER A 77 14.693 2.544 -4.735 1.00 0.00 O ATOM 1130 CB SER A 77 16.294 4.982 -2.880 1.00 0.00 C ATOM 1131 OG SER A 77 16.205 6.292 -3.411 1.00 0.00 O ATOM 0 H SER A 77 15.808 2.709 -1.867 1.00 0.00 H new ATOM 0 HA SER A 77 14.147 4.906 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.558 5.032 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.093 4.436 -3.382 1.00 0.00 H new ATOM 0 HG SER A 77 17.062 6.753 -3.291 1.00 0.00 H new ATOM 1137 N GLY A 78 14.861 4.678 -5.427 1.00 0.00 N ATOM 1138 CA GLY A 78 14.733 4.325 -6.829 1.00 0.00 C ATOM 1139 C GLY A 78 13.327 3.892 -7.192 1.00 0.00 C ATOM 1140 O GLY A 78 12.361 4.286 -6.539 1.00 0.00 O ATOM 0 H GLY A 78 14.973 5.675 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.016 5.180 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.430 3.520 -7.063 1.00 0.00 H new ATOM 1144 N SER A 79 13.211 3.080 -8.238 1.00 0.00 N ATOM 1145 CA SER A 79 11.911 2.598 -8.691 1.00 0.00 C ATOM 1146 C SER A 79 11.472 1.381 -7.883 1.00 0.00 C ATOM 1147 O SER A 79 11.845 0.249 -8.191 1.00 0.00 O ATOM 1148 CB SER A 79 11.965 2.245 -10.178 1.00 0.00 C ATOM 1149 OG SER A 79 11.800 3.400 -10.983 1.00 0.00 O ATOM 0 H SER A 79 14.001 2.742 -8.788 1.00 0.00 H new ATOM 0 HA SER A 79 11.182 3.395 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.919 1.771 -10.408 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.185 1.521 -10.412 1.00 0.00 H new ATOM 0 HG SER A 79 11.840 3.148 -11.929 1.00 0.00 H new ATOM 1155 N VAL A 80 10.676 1.622 -6.846 1.00 0.00 N ATOM 1156 CA VAL A 80 10.184 0.547 -5.993 1.00 0.00 C ATOM 1157 C VAL A 80 9.008 -0.175 -6.642 1.00 0.00 C ATOM 1158 O VAL A 80 8.184 0.443 -7.318 1.00 0.00 O ATOM 1159 CB VAL A 80 9.748 1.078 -4.615 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.428 -0.074 -3.675 1.00 0.00 C ATOM 1161 CG2 VAL A 80 10.826 1.975 -4.025 1.00 0.00 C ATOM 0 H VAL A 80 10.358 2.553 -6.576 1.00 0.00 H new ATOM 0 HA VAL A 80 11.009 -0.153 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 80 8.843 1.672 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.122 0.321 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.619 -0.672 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.313 -0.698 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.501 2.342 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.749 1.407 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.001 2.820 -4.691 1.00 0.00 H new ATOM 1171 N ILE A 81 8.935 -1.485 -6.432 1.00 0.00 N ATOM 1172 CA ILE A 81 7.859 -2.290 -6.995 1.00 0.00 C ATOM 1173 C ILE A 81 7.080 -3.011 -5.900 1.00 0.00 C ATOM 1174 O ILE A 81 7.631 -3.841 -5.175 1.00 0.00 O ATOM 1175 CB ILE A 81 8.398 -3.330 -7.995 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.811 -2.648 -9.301 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.352 -4.403 -8.259 1.00 0.00 C ATOM 1178 CD1 ILE A 81 7.652 -2.036 -10.056 1.00 0.00 C ATOM 0 H ILE A 81 9.609 -2.011 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 81 7.194 -1.604 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 81 9.278 -3.806 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.541 -1.870 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.307 -3.378 -9.941 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.748 -5.131 -8.968 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.102 -4.905 -7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.455 -3.943 -8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.019 -1.570 -10.971 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.931 -2.814 -10.309 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.170 -1.282 -9.434 1.00 0.00 H new ATOM 1190 N LEU A 82 5.797 -2.689 -5.785 1.00 0.00 N ATOM 1191 CA LEU A 82 4.940 -3.307 -4.779 1.00 0.00 C ATOM 1192 C LEU A 82 3.867 -4.171 -5.433 1.00 0.00 C ATOM 1193 O LEU A 82 2.987 -3.666 -6.130 1.00 0.00 O ATOM 1194 CB LEU A 82 4.285 -2.233 -3.909 1.00 0.00 C ATOM 1195 CG LEU A 82 5.175 -1.052 -3.517 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.342 0.064 -2.906 1.00 0.00 C ATOM 1197 CD2 LEU A 82 6.261 -1.500 -2.550 1.00 0.00 C ATOM 0 H LEU A 82 5.327 -2.003 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 82 5.562 -3.946 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.414 -1.846 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.920 -2.705 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 82 5.654 -0.669 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.992 0.896 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.602 0.404 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.834 -0.307 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.884 -0.647 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.801 -1.910 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.877 -2.265 -3.023 1.00 0.00 H new ATOM 1209 N LYS A 83 3.945 -5.478 -5.203 1.00 0.00 N ATOM 1210 CA LYS A 83 2.979 -6.413 -5.767 1.00 0.00 C ATOM 1211 C LYS A 83 1.752 -6.535 -4.869 1.00 0.00 C ATOM 1212 O LYS A 83 1.801 -7.177 -3.819 1.00 0.00 O ATOM 1213 CB LYS A 83 3.622 -7.788 -5.959 1.00 0.00 C ATOM 1214 CG LYS A 83 2.649 -8.854 -6.433 1.00 0.00 C ATOM 1215 CD LYS A 83 3.373 -10.124 -6.849 1.00 0.00 C ATOM 1216 CE LYS A 83 2.565 -10.918 -7.864 1.00 0.00 C ATOM 1217 NZ LYS A 83 1.609 -11.850 -7.206 1.00 0.00 N ATOM 0 H LYS A 83 4.668 -5.913 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 83 2.662 -6.028 -6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.434 -7.702 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.066 -8.107 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.941 -9.082 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.070 -8.472 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.343 -9.868 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.563 -10.741 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.017 -10.231 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.242 -11.484 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.915 -12.831 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.583 -11.657 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.660 -11.714 -7.608 1.00 0.00 H new ATOM 1231 N ILE A 84 0.653 -5.918 -5.289 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.587 -5.960 -4.524 1.00 0.00 C ATOM 1233 C ILE A 84 -1.559 -6.980 -5.108 1.00 0.00 C ATOM 1234 O ILE A 84 -1.469 -7.336 -6.284 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.270 -4.581 -4.482 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.221 -3.469 -4.433 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.205 -4.489 -3.285 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.548 -3.421 -3.131 1.00 0.00 C ATOM 0 H ILE A 84 0.596 -5.383 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.322 -6.255 -3.509 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.861 -4.457 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.481 -3.606 -5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.713 -2.509 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.680 -3.508 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.970 -5.262 -3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.635 -4.631 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.274 -2.609 -3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.144 -3.253 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.069 -4.367 -2.981 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.489 -7.444 -4.281 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.481 -8.421 -4.716 1.00 0.00 C ATOM 1252 C LEU A 85 -4.836 -8.144 -4.074 1.00 0.00 C ATOM 1253 O LEU A 85 -4.920 -7.843 -2.883 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.018 -9.837 -4.366 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.217 -10.566 -5.445 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.732 -10.273 -5.296 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.475 -12.065 -5.379 1.00 0.00 C ATOM 0 H LEU A 85 -2.577 -7.160 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.588 -8.337 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.410 -9.786 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.896 -10.436 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.543 -10.203 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.177 -10.800 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.561 -9.201 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.392 -10.608 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.897 -12.568 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.177 -12.443 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.536 -12.259 -5.535 1.00 0.00 H new ATOM 1269 N SER A 86 -5.895 -8.249 -4.870 1.00 0.00 N ATOM 1270 CA SER A 86 -7.247 -8.008 -4.380 1.00 0.00 C ATOM 1271 C SER A 86 -7.551 -8.887 -3.170 1.00 0.00 C ATOM 1272 O SER A 86 -6.682 -9.602 -2.674 1.00 0.00 O ATOM 1273 CB SER A 86 -8.269 -8.275 -5.487 1.00 0.00 C ATOM 1274 OG SER A 86 -8.096 -9.569 -6.040 1.00 0.00 O ATOM 0 H SER A 86 -5.843 -8.499 -5.857 1.00 0.00 H new ATOM 0 HA SER A 86 -7.316 -6.964 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.278 -8.180 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.165 -7.524 -6.271 1.00 0.00 H new ATOM 0 HG SER A 86 -8.762 -9.716 -6.744 1.00 0.00 H new ATOM 1280 N GLY A 87 -8.793 -8.825 -2.699 1.00 0.00 N ATOM 1281 CA GLY A 87 -9.191 -9.619 -1.551 1.00 0.00 C ATOM 1282 C GLY A 87 -10.615 -9.336 -1.116 1.00 0.00 C ATOM 1283 O GLY A 87 -11.442 -8.863 -1.895 1.00 0.00 O ATOM 0 H GLY A 87 -9.530 -8.239 -3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.092 -10.677 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.514 -9.417 -0.721 1.00 0.00 H new ATOM 1287 N PRO A 88 -10.919 -9.630 0.157 1.00 0.00 N ATOM 1288 CA PRO A 88 -12.254 -9.414 0.723 1.00 0.00 C ATOM 1289 C PRO A 88 -12.582 -7.933 0.884 1.00 0.00 C ATOM 1290 O PRO A 88 -13.706 -7.571 1.231 1.00 0.00 O ATOM 1291 CB PRO A 88 -12.174 -10.095 2.091 1.00 0.00 C ATOM 1292 CG PRO A 88 -10.726 -10.070 2.443 1.00 0.00 C ATOM 1293 CD PRO A 88 -9.982 -10.196 1.143 1.00 0.00 C ATOM 0 HA PRO A 88 -13.039 -9.811 0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.771 -9.564 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.553 -11.116 2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.465 -9.143 2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.474 -10.888 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.041 -9.647 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.740 -11.235 0.917 1.00 0.00 H new ATOM 1301 N SER A 89 -11.594 -7.081 0.628 1.00 0.00 N ATOM 1302 CA SER A 89 -11.778 -5.640 0.747 1.00 0.00 C ATOM 1303 C SER A 89 -12.553 -5.090 -0.446 1.00 0.00 C ATOM 1304 O SER A 89 -12.172 -5.299 -1.598 1.00 0.00 O ATOM 1305 CB SER A 89 -10.423 -4.939 0.857 1.00 0.00 C ATOM 1306 OG SER A 89 -9.756 -4.921 -0.394 1.00 0.00 O ATOM 0 H SER A 89 -10.658 -7.364 0.337 1.00 0.00 H new ATOM 0 HA SER A 89 -12.354 -5.446 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.566 -3.918 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.805 -5.449 1.595 1.00 0.00 H new ATOM 0 HG SER A 89 -8.791 -5.012 -0.251 1.00 0.00 H new ATOM 1312 N SER A 90 -13.644 -4.385 -0.162 1.00 0.00 N ATOM 1313 CA SER A 90 -14.476 -3.808 -1.211 1.00 0.00 C ATOM 1314 C SER A 90 -14.143 -2.334 -1.419 1.00 0.00 C ATOM 1315 O SER A 90 -13.345 -1.756 -0.682 1.00 0.00 O ATOM 1316 CB SER A 90 -15.957 -3.963 -0.860 1.00 0.00 C ATOM 1317 OG SER A 90 -16.246 -3.382 0.399 1.00 0.00 O ATOM 0 H SER A 90 -13.972 -4.200 0.786 1.00 0.00 H new ATOM 0 HA SER A 90 -14.272 -4.343 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.568 -3.492 -1.630 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.222 -5.020 -0.846 1.00 0.00 H new ATOM 0 HG SER A 90 -17.199 -3.493 0.599 1.00 0.00 H new ATOM 1323 N GLY A 91 -14.761 -1.730 -2.430 1.00 0.00 N ATOM 1324 CA GLY A 91 -14.518 -0.329 -2.718 1.00 0.00 C ATOM 1325 C GLY A 91 -15.708 0.343 -3.374 1.00 0.00 C ATOM 1326 O GLY A 91 -15.547 1.279 -4.157 1.00 0.00 O ATOM 0 H GLY A 91 -15.426 -2.187 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.275 0.192 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.649 -0.241 -3.371 1.00 0.00 H new TER 1330 GLY A 91