USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 16 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Set 1.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 84 CYS SG : rot 180:sc= 0.488 USER MOD Set 2.2: A 91 SXK OAB : rot 87:sc= 0.586 USER MOD Set 3.1: A 69 SER OG : rot 78:sc= 0.342 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.0166 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0.634 (180deg=0.543) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 170:sc=-0.00325 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 0.851 (180deg=0.498) USER MOD Single : A 18 ASN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -116:sc= 0.732 (180deg=-0.0708) USER MOD Single : A 35 CYS SG : rot -107:sc= 0.331 USER MOD Single : A 37 SER OG : rot 129:sc= 0.0715 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 1.44 (180deg=1.38) USER MOD Single : A 45 MET CE :methyl 168:sc= -2.4 (180deg=-3.55) USER MOD Single : A 47 MET CE :methyl -156:sc= -0.612 (180deg=-1.92!) USER MOD Single : A 50 GLN : amide:sc= -0.0923 K(o=-0.092,f=-3.4!) USER MOD Single : A 51 ASN : amide:sc= -0.672 K(o=-0.67,f=-4.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 58 GLN : amide:sc=-0.00951 X(o=-0.0095,f=-0.16) USER MOD Single : A 60 MET CE :methyl -171:sc= -2.17! (180deg=-2.21!) USER MOD Single : A 80 MET CE :methyl 160:sc= -0.0311 (180deg=-0.785) USER MOD Single : A 81 MET CE :methyl -115:sc= -0.0624 (180deg=-1.17) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.93) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 149 SER OG : rot 180:sc=-0.00819 USER MOD Single : B 153 MET CE :methyl -118:sc= -0.466 (180deg=-1.41) USER MOD Single : B 154 MET CE :methyl -148:sc= 0 (180deg=-0.06) USER MOD Single : B 155 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : B 163 LYS NZ :NH3+ -177:sc= 0.272 (180deg=0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.172 17.121 12.441 1.00 0.00 N ATOM 2 CA MET A 1 73.688 15.717 12.367 1.00 0.00 C ATOM 3 C MET A 1 73.026 14.960 11.207 1.00 0.00 C ATOM 4 O MET A 1 72.093 15.442 10.595 1.00 0.00 O ATOM 5 CB MET A 1 73.314 15.072 13.709 1.00 0.00 C ATOM 6 CG MET A 1 74.565 14.936 14.581 1.00 0.00 C ATOM 7 SD MET A 1 75.714 13.769 13.811 1.00 0.00 S ATOM 8 CE MET A 1 76.789 13.530 15.246 1.00 0.00 C ATOM 0 H1 MET A 1 73.242 17.466 13.420 1.00 0.00 H new ATOM 0 H2 MET A 1 73.737 17.732 11.817 1.00 0.00 H new ATOM 0 H3 MET A 1 72.178 17.142 12.137 1.00 0.00 H new ATOM 0 HA MET A 1 74.763 15.691 12.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 72.567 15.679 14.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.868 14.092 13.541 1.00 0.00 H new ATOM 0 HG2 MET A 1 75.044 15.908 14.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 74.291 14.589 15.577 1.00 0.00 H new ATOM 0 HE1 MET A 1 77.586 12.831 14.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 77.224 14.486 15.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 76.206 13.129 16.075 1.00 0.00 H new ATOM 20 N ASP A 2 73.505 13.778 10.908 1.00 0.00 N ATOM 21 CA ASP A 2 72.910 12.979 9.794 1.00 0.00 C ATOM 22 C ASP A 2 72.454 11.604 10.308 1.00 0.00 C ATOM 23 O ASP A 2 72.471 11.344 11.497 1.00 0.00 O ATOM 24 CB ASP A 2 74.038 12.834 8.767 1.00 0.00 C ATOM 25 CG ASP A 2 73.449 12.885 7.356 1.00 0.00 C ATOM 26 OD1 ASP A 2 72.989 11.855 6.891 1.00 0.00 O ATOM 27 OD2 ASP A 2 73.462 13.953 6.769 1.00 0.00 O ATOM 0 H ASP A 2 74.285 13.331 11.390 1.00 0.00 H new ATOM 0 HA ASP A 2 72.030 13.457 9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 2 74.768 13.632 8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.565 11.892 8.919 1.00 0.00 H new ATOM 32 N ASP A 3 72.045 10.726 9.418 1.00 0.00 N ATOM 33 CA ASP A 3 71.581 9.362 9.839 1.00 0.00 C ATOM 34 C ASP A 3 70.481 9.473 10.910 1.00 0.00 C ATOM 35 O ASP A 3 70.500 8.787 11.914 1.00 0.00 O ATOM 36 CB ASP A 3 72.832 8.672 10.398 1.00 0.00 C ATOM 37 CG ASP A 3 72.712 7.157 10.222 1.00 0.00 C ATOM 38 OD1 ASP A 3 71.993 6.544 10.994 1.00 0.00 O ATOM 39 OD2 ASP A 3 73.346 6.633 9.322 1.00 0.00 O ATOM 0 H ASP A 3 72.013 10.897 8.413 1.00 0.00 H new ATOM 0 HA ASP A 3 71.147 8.799 9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 3 73.721 9.038 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 3 72.952 8.916 11.454 1.00 0.00 H new ATOM 44 N ILE A 4 69.517 10.335 10.699 1.00 0.00 N ATOM 45 CA ILE A 4 68.418 10.488 11.703 1.00 0.00 C ATOM 46 C ILE A 4 67.304 9.470 11.423 1.00 0.00 C ATOM 47 O ILE A 4 66.786 8.843 12.328 1.00 0.00 O ATOM 48 CB ILE A 4 67.904 11.925 11.532 1.00 0.00 C ATOM 49 CG1 ILE A 4 69.013 12.918 11.906 1.00 0.00 C ATOM 50 CG2 ILE A 4 66.700 12.153 12.451 1.00 0.00 C ATOM 51 CD1 ILE A 4 69.358 13.792 10.698 1.00 0.00 C ATOM 0 H ILE A 4 69.443 10.937 9.879 1.00 0.00 H new ATOM 0 HA ILE A 4 68.762 10.308 12.721 1.00 0.00 H new ATOM 0 HB ILE A 4 67.609 12.077 10.494 1.00 0.00 H new ATOM 0 HG12 ILE A 4 68.688 13.543 12.737 1.00 0.00 H new ATOM 0 HG13 ILE A 4 69.899 12.378 12.240 1.00 0.00 H new ATOM 0 HG21 ILE A 4 66.337 13.173 12.328 1.00 0.00 H new ATOM 0 HG22 ILE A 4 65.907 11.452 12.192 1.00 0.00 H new ATOM 0 HG23 ILE A 4 66.999 11.996 13.488 1.00 0.00 H new ATOM 0 HD11 ILE A 4 70.146 14.495 10.970 1.00 0.00 H new ATOM 0 HD12 ILE A 4 69.702 13.161 9.879 1.00 0.00 H new ATOM 0 HD13 ILE A 4 68.472 14.344 10.384 1.00 0.00 H new ATOM 63 N TYR A 5 66.933 9.297 10.176 1.00 0.00 N ATOM 64 CA TYR A 5 65.854 8.315 9.844 1.00 0.00 C ATOM 65 C TYR A 5 66.356 6.876 10.035 1.00 0.00 C ATOM 66 O TYR A 5 65.626 6.022 10.501 1.00 0.00 O ATOM 67 CB TYR A 5 65.488 8.587 8.379 1.00 0.00 C ATOM 68 CG TYR A 5 64.378 9.612 8.328 1.00 0.00 C ATOM 69 CD1 TYR A 5 63.104 9.287 8.809 1.00 0.00 C ATOM 70 CD2 TYR A 5 64.625 10.891 7.813 1.00 0.00 C ATOM 71 CE1 TYR A 5 62.079 10.240 8.773 1.00 0.00 C ATOM 72 CE2 TYR A 5 63.598 11.843 7.780 1.00 0.00 C ATOM 73 CZ TYR A 5 62.326 11.516 8.260 1.00 0.00 C ATOM 74 OH TYR A 5 61.314 12.453 8.229 1.00 0.00 O ATOM 0 H TYR A 5 67.330 9.792 9.377 1.00 0.00 H new ATOM 0 HA TYR A 5 64.987 8.426 10.496 1.00 0.00 H new ATOM 0 HB2 TYR A 5 66.360 8.950 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 5 65.170 7.664 7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 5 62.912 8.302 9.208 1.00 0.00 H new ATOM 0 HD2 TYR A 5 65.607 11.143 7.441 1.00 0.00 H new ATOM 0 HE1 TYR A 5 61.096 9.988 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 5 63.789 12.829 7.384 1.00 0.00 H new ATOM 0 HH TYR A 5 61.653 13.288 7.843 1.00 0.00 H new ATOM 84 N LYS A 6 67.596 6.600 9.696 1.00 0.00 N ATOM 85 CA LYS A 6 68.123 5.210 9.883 1.00 0.00 C ATOM 86 C LYS A 6 68.297 4.910 11.379 1.00 0.00 C ATOM 87 O LYS A 6 68.120 3.787 11.811 1.00 0.00 O ATOM 88 CB LYS A 6 69.468 5.160 9.154 1.00 0.00 C ATOM 89 CG LYS A 6 69.699 3.736 8.630 1.00 0.00 C ATOM 90 CD LYS A 6 70.785 3.044 9.460 1.00 0.00 C ATOM 91 CE LYS A 6 72.144 3.691 9.184 1.00 0.00 C ATOM 92 NZ LYS A 6 72.751 3.905 10.530 1.00 0.00 N ATOM 0 H LYS A 6 68.258 7.269 9.303 1.00 0.00 H new ATOM 0 HA LYS A 6 67.438 4.462 9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 6 69.475 5.871 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 6 70.273 5.448 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 6 68.772 3.166 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.996 3.769 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.546 3.118 10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 6 70.821 1.983 9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.770 3.046 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.031 4.633 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.720 4.267 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.182 4.594 11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.775 3.003 11.047 1.00 0.00 H new ATOM 106 N ALA A 7 68.617 5.908 12.175 1.00 0.00 N ATOM 107 CA ALA A 7 68.767 5.678 13.647 1.00 0.00 C ATOM 108 C ALA A 7 67.474 5.055 14.197 1.00 0.00 C ATOM 109 O ALA A 7 67.504 4.136 14.994 1.00 0.00 O ATOM 110 CB ALA A 7 68.999 7.064 14.251 1.00 0.00 C ATOM 0 H ALA A 7 68.780 6.867 11.868 1.00 0.00 H new ATOM 0 HA ALA A 7 69.586 4.999 13.886 1.00 0.00 H new ATOM 0 HB1 ALA A 7 69.118 6.975 15.331 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.900 7.502 13.821 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.144 7.704 14.032 1.00 0.00 H new ATOM 116 N ALA A 8 66.339 5.540 13.744 1.00 0.00 N ATOM 117 CA ALA A 8 65.034 4.971 14.199 1.00 0.00 C ATOM 118 C ALA A 8 64.860 3.563 13.615 1.00 0.00 C ATOM 119 O ALA A 8 64.350 2.673 14.264 1.00 0.00 O ATOM 120 CB ALA A 8 63.969 5.921 13.642 1.00 0.00 C ATOM 0 H ALA A 8 66.264 6.308 13.077 1.00 0.00 H new ATOM 0 HA ALA A 8 64.967 4.885 15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.979 5.570 13.934 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.131 6.923 14.040 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.038 5.947 12.555 1.00 0.00 H new ATOM 126 N VAL A 9 65.301 3.360 12.395 1.00 0.00 N ATOM 127 CA VAL A 9 65.189 2.009 11.753 1.00 0.00 C ATOM 128 C VAL A 9 65.970 0.975 12.577 1.00 0.00 C ATOM 129 O VAL A 9 65.487 -0.111 12.842 1.00 0.00 O ATOM 130 CB VAL A 9 65.816 2.184 10.361 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.987 0.823 9.677 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.910 3.068 9.501 1.00 0.00 C ATOM 0 H VAL A 9 65.736 4.076 11.813 1.00 0.00 H new ATOM 0 HA VAL A 9 64.160 1.655 11.692 1.00 0.00 H new ATOM 0 HB VAL A 9 66.794 2.651 10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 9 66.432 0.964 8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 9 66.637 0.191 10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 9 65.013 0.345 9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 9 65.354 3.192 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.931 2.599 9.402 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.798 4.044 9.974 1.00 0.00 H new ATOM 142 N GLU A 10 67.170 1.312 12.988 1.00 0.00 N ATOM 143 CA GLU A 10 67.989 0.360 13.804 1.00 0.00 C ATOM 144 C GLU A 10 67.327 0.132 15.168 1.00 0.00 C ATOM 145 O GLU A 10 67.195 -0.989 15.621 1.00 0.00 O ATOM 146 CB GLU A 10 69.347 1.045 13.975 1.00 0.00 C ATOM 147 CG GLU A 10 70.121 0.985 12.655 1.00 0.00 C ATOM 148 CD GLU A 10 71.232 2.039 12.655 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.920 3.207 12.831 1.00 0.00 O ATOM 150 OE2 GLU A 10 72.377 1.663 12.470 1.00 0.00 O ATOM 0 H GLU A 10 67.618 2.207 12.793 1.00 0.00 H new ATOM 0 HA GLU A 10 68.084 -0.616 13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 10 69.207 2.082 14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 10 69.916 0.555 14.765 1.00 0.00 H new ATOM 0 HG2 GLU A 10 70.550 -0.008 12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.444 1.157 11.818 1.00 0.00 H new ATOM 157 N GLN A 11 66.904 1.189 15.819 1.00 0.00 N ATOM 158 CA GLN A 11 66.245 1.041 17.145 1.00 0.00 C ATOM 159 C GLN A 11 64.769 0.645 16.949 1.00 0.00 C ATOM 160 O GLN A 11 64.434 -0.526 16.971 1.00 0.00 O ATOM 161 CB GLN A 11 66.389 2.426 17.795 1.00 0.00 C ATOM 162 CG GLN A 11 65.609 2.468 19.109 1.00 0.00 C ATOM 163 CD GLN A 11 66.578 2.385 20.290 1.00 0.00 C ATOM 164 OE1 GLN A 11 66.774 1.329 20.854 1.00 0.00 O ATOM 165 NE2 GLN A 11 67.198 3.460 20.690 1.00 0.00 N ATOM 0 H GLN A 11 66.989 2.149 15.484 1.00 0.00 H new ATOM 0 HA GLN A 11 66.686 0.263 17.768 1.00 0.00 H new ATOM 0 HB2 GLN A 11 67.441 2.643 17.980 1.00 0.00 H new ATOM 0 HB3 GLN A 11 66.019 3.195 17.118 1.00 0.00 H new ATOM 0 HG2 GLN A 11 65.027 3.388 19.168 1.00 0.00 H new ATOM 0 HG3 GLN A 11 64.901 1.640 19.149 1.00 0.00 H new ATOM 0 HE21 GLN A 11 67.035 4.349 20.217 1.00 0.00 H new ATOM 0 HE22 GLN A 11 67.847 3.412 21.476 1.00 0.00 H new ATOM 174 N LEU A 12 63.892 1.607 16.742 1.00 0.00 N ATOM 175 CA LEU A 12 62.439 1.297 16.531 1.00 0.00 C ATOM 176 C LEU A 12 61.889 0.422 17.672 1.00 0.00 C ATOM 177 O LEU A 12 62.450 0.364 18.752 1.00 0.00 O ATOM 178 CB LEU A 12 62.385 0.547 15.189 1.00 0.00 C ATOM 179 CG LEU A 12 61.607 1.371 14.156 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.860 0.806 12.757 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.109 1.305 14.463 1.00 0.00 C ATOM 0 H LEU A 12 64.125 2.600 16.710 1.00 0.00 H new ATOM 0 HA LEU A 12 61.827 2.199 16.521 1.00 0.00 H new ATOM 0 HB2 LEU A 12 63.396 0.358 14.828 1.00 0.00 H new ATOM 0 HB3 LEU A 12 61.908 -0.424 15.325 1.00 0.00 H new ATOM 0 HG LEU A 12 61.941 2.408 14.200 1.00 0.00 H new ATOM 0 HD11 LEU A 12 61.307 1.392 12.023 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.925 0.855 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.528 -0.231 12.718 1.00 0.00 H new ATOM 0 HD21 LEU A 12 59.560 1.892 13.726 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.775 0.268 14.423 1.00 0.00 H new ATOM 0 HD23 LEU A 12 59.924 1.708 15.459 1.00 0.00 H new ATOM 193 N THR A 13 60.796 -0.256 17.437 1.00 0.00 N ATOM 194 CA THR A 13 60.199 -1.133 18.491 1.00 0.00 C ATOM 195 C THR A 13 59.623 -2.394 17.853 1.00 0.00 C ATOM 196 O THR A 13 59.272 -2.404 16.689 1.00 0.00 O ATOM 197 CB THR A 13 59.095 -0.302 19.161 1.00 0.00 C ATOM 198 OG1 THR A 13 58.185 -1.174 19.814 1.00 0.00 O ATOM 199 CG2 THR A 13 58.344 0.520 18.115 1.00 0.00 C ATOM 0 H THR A 13 60.287 -0.240 16.553 1.00 0.00 H new ATOM 0 HA THR A 13 60.941 -1.454 19.222 1.00 0.00 H new ATOM 0 HB THR A 13 59.548 0.375 19.885 1.00 0.00 H new ATOM 0 HG1 THR A 13 57.575 -0.650 20.374 1.00 0.00 H new ATOM 0 HG21 THR A 13 57.564 1.105 18.603 1.00 0.00 H new ATOM 0 HG22 THR A 13 59.040 1.192 17.612 1.00 0.00 H new ATOM 0 HG23 THR A 13 57.892 -0.149 17.383 1.00 0.00 H new ATOM 207 N GLU A 14 59.532 -3.458 18.607 1.00 0.00 N ATOM 208 CA GLU A 14 58.988 -4.730 18.051 1.00 0.00 C ATOM 209 C GLU A 14 57.606 -4.509 17.422 1.00 0.00 C ATOM 210 O GLU A 14 57.296 -5.055 16.380 1.00 0.00 O ATOM 211 CB GLU A 14 58.891 -5.685 19.235 1.00 0.00 C ATOM 212 CG GLU A 14 59.559 -7.006 18.850 1.00 0.00 C ATOM 213 CD GLU A 14 58.781 -7.666 17.708 1.00 0.00 C ATOM 214 OE1 GLU A 14 57.734 -8.231 17.977 1.00 0.00 O ATOM 215 OE2 GLU A 14 59.247 -7.595 16.583 1.00 0.00 O ATOM 0 H GLU A 14 59.812 -3.500 19.587 1.00 0.00 H new ATOM 0 HA GLU A 14 59.628 -5.125 17.262 1.00 0.00 H new ATOM 0 HB2 GLU A 14 59.379 -5.255 20.110 1.00 0.00 H new ATOM 0 HB3 GLU A 14 57.848 -5.852 19.502 1.00 0.00 H new ATOM 0 HG2 GLU A 14 60.590 -6.827 18.545 1.00 0.00 H new ATOM 0 HG3 GLU A 14 59.593 -7.672 19.712 1.00 0.00 H new ATOM 222 N GLU A 15 56.779 -3.704 18.046 1.00 0.00 N ATOM 223 CA GLU A 15 55.414 -3.433 17.492 1.00 0.00 C ATOM 224 C GLU A 15 55.509 -2.909 16.050 1.00 0.00 C ATOM 225 O GLU A 15 54.786 -3.346 15.177 1.00 0.00 O ATOM 226 CB GLU A 15 54.811 -2.366 18.412 1.00 0.00 C ATOM 227 CG GLU A 15 54.364 -3.012 19.729 1.00 0.00 C ATOM 228 CD GLU A 15 55.432 -2.786 20.804 1.00 0.00 C ATOM 229 OE1 GLU A 15 55.436 -1.719 21.395 1.00 0.00 O ATOM 230 OE2 GLU A 15 56.228 -3.687 21.017 1.00 0.00 O ATOM 0 H GLU A 15 56.992 -3.221 18.919 1.00 0.00 H new ATOM 0 HA GLU A 15 54.803 -4.335 17.458 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.545 -1.585 18.610 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.962 -1.888 17.923 1.00 0.00 H new ATOM 0 HG2 GLU A 15 53.414 -2.585 20.051 1.00 0.00 H new ATOM 0 HG3 GLU A 15 54.200 -4.080 19.584 1.00 0.00 H new ATOM 237 N GLN A 16 56.399 -1.978 15.797 1.00 0.00 N ATOM 238 CA GLN A 16 56.543 -1.426 14.411 1.00 0.00 C ATOM 239 C GLN A 16 57.490 -2.290 13.572 1.00 0.00 C ATOM 240 O GLN A 16 57.321 -2.429 12.376 1.00 0.00 O ATOM 241 CB GLN A 16 57.122 -0.021 14.591 1.00 0.00 C ATOM 242 CG GLN A 16 56.012 0.954 15.000 1.00 0.00 C ATOM 243 CD GLN A 16 56.576 2.376 15.041 1.00 0.00 C ATOM 244 OE1 GLN A 16 57.438 2.677 15.841 1.00 0.00 O ATOM 245 NE2 GLN A 16 56.128 3.269 14.204 1.00 0.00 N ATOM 0 H GLN A 16 57.031 -1.577 16.490 1.00 0.00 H new ATOM 0 HA GLN A 16 55.588 -1.411 13.886 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.903 -0.035 15.351 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.586 0.312 13.663 1.00 0.00 H new ATOM 0 HG2 GLN A 16 55.185 0.899 14.292 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.614 0.680 15.977 1.00 0.00 H new ATOM 0 HE21 GLN A 16 55.404 3.019 13.531 1.00 0.00 H new ATOM 0 HE22 GLN A 16 56.502 4.218 14.222 1.00 0.00 H new ATOM 254 N LYS A 17 58.480 -2.866 14.193 1.00 0.00 N ATOM 255 CA LYS A 17 59.453 -3.728 13.444 1.00 0.00 C ATOM 256 C LYS A 17 58.740 -4.968 12.893 1.00 0.00 C ATOM 257 O LYS A 17 58.800 -5.250 11.710 1.00 0.00 O ATOM 258 CB LYS A 17 60.524 -4.123 14.468 1.00 0.00 C ATOM 259 CG LYS A 17 61.854 -4.384 13.751 1.00 0.00 C ATOM 260 CD LYS A 17 62.687 -3.097 13.723 1.00 0.00 C ATOM 261 CE LYS A 17 63.603 -3.044 14.950 1.00 0.00 C ATOM 262 NZ LYS A 17 64.801 -2.269 14.507 1.00 0.00 N ATOM 0 H LYS A 17 58.663 -2.780 15.193 1.00 0.00 H new ATOM 0 HA LYS A 17 59.891 -3.209 12.592 1.00 0.00 H new ATOM 0 HB2 LYS A 17 60.647 -3.329 15.205 1.00 0.00 H new ATOM 0 HB3 LYS A 17 60.211 -5.015 15.010 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.405 -5.174 14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.668 -4.731 12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 17 63.283 -3.059 12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.030 -2.228 13.711 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.108 -2.558 15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.881 -4.046 15.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 65.206 -1.761 15.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 65.512 -2.921 14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 64.521 -1.585 13.776 1.00 0.00 H new ATOM 276 N ASN A 18 58.049 -5.696 13.738 1.00 0.00 N ATOM 277 CA ASN A 18 57.309 -6.906 13.259 1.00 0.00 C ATOM 278 C ASN A 18 56.237 -6.482 12.246 1.00 0.00 C ATOM 279 O ASN A 18 55.932 -7.204 11.314 1.00 0.00 O ATOM 280 CB ASN A 18 56.665 -7.512 14.510 1.00 0.00 C ATOM 281 CG ASN A 18 56.773 -9.036 14.455 1.00 0.00 C ATOM 282 OD1 ASN A 18 55.951 -9.694 13.851 1.00 0.00 O ATOM 283 ND2 ASN A 18 57.759 -9.632 15.063 1.00 0.00 N ATOM 0 H ASN A 18 57.966 -5.505 14.736 1.00 0.00 H new ATOM 0 HA ASN A 18 57.961 -7.625 12.762 1.00 0.00 H new ATOM 0 HB2 ASN A 18 57.159 -7.134 15.405 1.00 0.00 H new ATOM 0 HB3 ASN A 18 55.619 -7.213 14.574 1.00 0.00 H new ATOM 0 HD21 ASN A 18 57.838 -10.648 15.031 1.00 0.00 H new ATOM 0 HD22 ASN A 18 58.452 -9.082 15.571 1.00 0.00 H new ATOM 290 N GLU A 19 55.679 -5.305 12.415 1.00 0.00 N ATOM 291 CA GLU A 19 54.643 -4.812 11.456 1.00 0.00 C ATOM 292 C GLU A 19 55.252 -4.695 10.052 1.00 0.00 C ATOM 293 O GLU A 19 54.664 -5.126 9.078 1.00 0.00 O ATOM 294 CB GLU A 19 54.224 -3.436 11.985 1.00 0.00 C ATOM 295 CG GLU A 19 52.836 -3.537 12.625 1.00 0.00 C ATOM 296 CD GLU A 19 51.761 -3.390 11.546 1.00 0.00 C ATOM 297 OE1 GLU A 19 51.428 -4.389 10.928 1.00 0.00 O ATOM 298 OE2 GLU A 19 51.290 -2.282 11.356 1.00 0.00 O ATOM 0 H GLU A 19 55.899 -4.665 13.178 1.00 0.00 H new ATOM 0 HA GLU A 19 53.790 -5.486 11.381 1.00 0.00 H new ATOM 0 HB2 GLU A 19 54.949 -3.080 12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 19 54.209 -2.711 11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.727 -4.496 13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.716 -2.761 13.381 1.00 0.00 H new ATOM 305 N PHE A 20 56.438 -4.136 9.945 1.00 0.00 N ATOM 306 CA PHE A 20 57.094 -4.017 8.603 1.00 0.00 C ATOM 307 C PHE A 20 57.352 -5.420 8.034 1.00 0.00 C ATOM 308 O PHE A 20 57.224 -5.645 6.847 1.00 0.00 O ATOM 309 CB PHE A 20 58.414 -3.268 8.846 1.00 0.00 C ATOM 310 CG PHE A 20 58.131 -1.802 9.105 1.00 0.00 C ATOM 311 CD1 PHE A 20 57.193 -1.108 8.322 1.00 0.00 C ATOM 312 CD2 PHE A 20 58.809 -1.136 10.134 1.00 0.00 C ATOM 313 CE1 PHE A 20 56.939 0.246 8.572 1.00 0.00 C ATOM 314 CE2 PHE A 20 58.554 0.218 10.382 1.00 0.00 C ATOM 315 CZ PHE A 20 57.619 0.909 9.602 1.00 0.00 C ATOM 0 H PHE A 20 56.976 -3.760 10.726 1.00 0.00 H new ATOM 0 HA PHE A 20 56.473 -3.484 7.883 1.00 0.00 H new ATOM 0 HB2 PHE A 20 58.938 -3.703 9.697 1.00 0.00 H new ATOM 0 HB3 PHE A 20 59.068 -3.374 7.981 1.00 0.00 H new ATOM 0 HD1 PHE A 20 56.668 -1.619 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 20 59.530 -1.668 10.737 1.00 0.00 H new ATOM 0 HE1 PHE A 20 56.218 0.780 7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 20 59.079 0.730 11.175 1.00 0.00 H new ATOM 0 HZ PHE A 20 57.422 1.953 9.794 1.00 0.00 H new ATOM 325 N LYS A 21 57.686 -6.367 8.880 1.00 0.00 N ATOM 326 CA LYS A 21 57.922 -7.766 8.400 1.00 0.00 C ATOM 327 C LYS A 21 56.609 -8.344 7.846 1.00 0.00 C ATOM 328 O LYS A 21 56.583 -8.920 6.776 1.00 0.00 O ATOM 329 CB LYS A 21 58.402 -8.537 9.644 1.00 0.00 C ATOM 330 CG LYS A 21 58.055 -10.028 9.532 1.00 0.00 C ATOM 331 CD LYS A 21 58.752 -10.632 8.307 1.00 0.00 C ATOM 332 CE LYS A 21 58.191 -12.030 8.031 1.00 0.00 C ATOM 333 NZ LYS A 21 56.995 -11.807 7.164 1.00 0.00 N ATOM 0 H LYS A 21 57.805 -6.230 9.884 1.00 0.00 H new ATOM 0 HA LYS A 21 58.655 -7.826 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 21 59.480 -8.418 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.939 -8.118 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 58.367 -10.552 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 21 56.976 -10.154 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 21 58.601 -9.991 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 21 59.827 -10.688 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 21 58.928 -12.659 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 21 57.917 -12.535 8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 56.139 -12.117 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 56.916 -10.796 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 57.097 -12.353 6.285 1.00 0.00 H new ATOM 347 N ALA A 22 55.522 -8.175 8.563 1.00 0.00 N ATOM 348 CA ALA A 22 54.202 -8.692 8.079 1.00 0.00 C ATOM 349 C ALA A 22 53.758 -7.922 6.822 1.00 0.00 C ATOM 350 O ALA A 22 53.095 -8.461 5.959 1.00 0.00 O ATOM 351 CB ALA A 22 53.227 -8.446 9.234 1.00 0.00 C ATOM 0 H ALA A 22 55.493 -7.700 9.465 1.00 0.00 H new ATOM 0 HA ALA A 22 54.248 -9.746 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 22 52.235 -8.800 8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 22 53.568 -8.984 10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 22 53.184 -7.379 9.452 1.00 0.00 H new ATOM 357 N ALA A 23 54.126 -6.667 6.713 1.00 0.00 N ATOM 358 CA ALA A 23 53.737 -5.867 5.509 1.00 0.00 C ATOM 359 C ALA A 23 54.769 -6.043 4.378 1.00 0.00 C ATOM 360 O ALA A 23 54.564 -5.582 3.271 1.00 0.00 O ATOM 361 CB ALA A 23 53.715 -4.411 5.990 1.00 0.00 C ATOM 0 H ALA A 23 54.679 -6.163 7.406 1.00 0.00 H new ATOM 0 HA ALA A 23 52.775 -6.183 5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.437 -3.759 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.988 -4.305 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.704 -4.133 6.355 1.00 0.00 H new ATOM 367 N PHE A 24 55.876 -6.694 4.650 1.00 0.00 N ATOM 368 CA PHE A 24 56.925 -6.884 3.598 1.00 0.00 C ATOM 369 C PHE A 24 56.667 -8.149 2.762 1.00 0.00 C ATOM 370 O PHE A 24 56.698 -8.101 1.547 1.00 0.00 O ATOM 371 CB PHE A 24 58.240 -7.013 4.380 1.00 0.00 C ATOM 372 CG PHE A 24 59.390 -7.245 3.426 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.920 -6.176 2.694 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.927 -8.528 3.278 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.988 -6.390 1.814 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.995 -8.743 2.399 1.00 0.00 C ATOM 377 CZ PHE A 24 61.526 -7.673 1.667 1.00 0.00 C ATOM 0 H PHE A 24 56.098 -7.103 5.558 1.00 0.00 H new ATOM 0 HA PHE A 24 56.937 -6.056 2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.417 -6.108 4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 24 58.172 -7.839 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.505 -5.185 2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.518 -9.353 3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.396 -5.565 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.410 -9.734 2.285 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.350 -7.839 0.989 1.00 0.00 H new ATOM 387 N ASP A 25 56.435 -9.280 3.391 1.00 0.00 N ATOM 388 CA ASP A 25 56.205 -10.542 2.607 1.00 0.00 C ATOM 389 C ASP A 25 55.014 -10.399 1.643 1.00 0.00 C ATOM 390 O ASP A 25 55.062 -10.880 0.528 1.00 0.00 O ATOM 391 CB ASP A 25 55.968 -11.652 3.645 1.00 0.00 C ATOM 392 CG ASP A 25 54.715 -11.366 4.477 1.00 0.00 C ATOM 393 OD1 ASP A 25 54.834 -10.663 5.464 1.00 0.00 O ATOM 394 OD2 ASP A 25 53.664 -11.868 4.120 1.00 0.00 O ATOM 0 H ASP A 25 56.395 -9.385 4.405 1.00 0.00 H new ATOM 0 HA ASP A 25 57.063 -10.775 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 25 55.862 -12.612 3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 25 56.834 -11.732 4.301 1.00 0.00 H new ATOM 399 N ILE A 26 53.957 -9.730 2.043 1.00 0.00 N ATOM 400 CA ILE A 26 52.795 -9.558 1.110 1.00 0.00 C ATOM 401 C ILE A 26 53.223 -8.689 -0.083 1.00 0.00 C ATOM 402 O ILE A 26 52.800 -8.910 -1.202 1.00 0.00 O ATOM 403 CB ILE A 26 51.694 -8.860 1.923 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.233 -9.769 3.068 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.499 -8.562 1.014 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.673 -8.911 4.206 1.00 0.00 C ATOM 0 H ILE A 26 53.848 -9.301 2.962 1.00 0.00 H new ATOM 0 HA ILE A 26 52.441 -10.510 0.716 1.00 0.00 H new ATOM 0 HB ILE A 26 52.091 -7.931 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.471 -10.462 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 26 52.068 -10.370 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.718 -8.067 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.815 -7.912 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.112 -9.495 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.345 -9.556 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 26 51.448 -8.236 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.827 -8.329 3.841 1.00 0.00 H new ATOM 418 N PHE A 27 54.076 -7.714 0.146 1.00 0.00 N ATOM 419 CA PHE A 27 54.551 -6.849 -0.980 1.00 0.00 C ATOM 420 C PHE A 27 55.388 -7.693 -1.949 1.00 0.00 C ATOM 421 O PHE A 27 55.177 -7.670 -3.145 1.00 0.00 O ATOM 422 CB PHE A 27 55.414 -5.762 -0.328 1.00 0.00 C ATOM 423 CG PHE A 27 54.749 -4.416 -0.496 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.649 -3.838 -1.768 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.232 -3.747 0.618 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.030 -2.593 -1.923 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.613 -2.503 0.463 1.00 0.00 C ATOM 428 CZ PHE A 27 53.512 -1.926 -0.808 1.00 0.00 C ATOM 0 H PHE A 27 54.461 -7.483 1.062 1.00 0.00 H new ATOM 0 HA PHE A 27 53.728 -6.413 -1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.553 -5.980 0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.404 -5.749 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.050 -4.353 -2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.311 -4.192 1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.952 -2.147 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.213 -1.988 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.034 -0.965 -0.928 1.00 0.00 H new ATOM 438 N VAL A 28 56.324 -8.451 -1.429 1.00 0.00 N ATOM 439 CA VAL A 28 57.171 -9.323 -2.302 1.00 0.00 C ATOM 440 C VAL A 28 56.849 -10.801 -2.025 1.00 0.00 C ATOM 441 O VAL A 28 57.376 -11.402 -1.107 1.00 0.00 O ATOM 442 CB VAL A 28 58.635 -8.993 -1.946 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.833 -8.964 -0.426 1.00 0.00 C ATOM 444 CG2 VAL A 28 59.557 -10.056 -2.545 1.00 0.00 C ATOM 0 H VAL A 28 56.538 -8.503 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 28 56.986 -9.148 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 28 58.875 -8.011 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.873 -8.729 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 28 58.186 -8.204 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.581 -9.939 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 28 60.592 -9.823 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 28 59.296 -11.034 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.441 -10.069 -3.629 1.00 0.00 H new ATOM 454 N LEU A 29 55.985 -11.385 -2.814 1.00 0.00 N ATOM 455 CA LEU A 29 55.624 -12.825 -2.598 1.00 0.00 C ATOM 456 C LEU A 29 56.468 -13.718 -3.517 1.00 0.00 C ATOM 457 O LEU A 29 56.917 -14.777 -3.124 1.00 0.00 O ATOM 458 CB LEU A 29 54.129 -12.953 -2.948 1.00 0.00 C ATOM 459 CG LEU A 29 53.352 -11.714 -2.483 1.00 0.00 C ATOM 460 CD1 LEU A 29 52.615 -11.095 -3.672 1.00 0.00 C ATOM 461 CD2 LEU A 29 52.333 -12.124 -1.417 1.00 0.00 C ATOM 0 H LEU A 29 55.513 -10.932 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 29 55.814 -13.137 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 29 54.012 -13.078 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.716 -13.845 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 29 54.048 -10.986 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 29 52.064 -10.215 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 29 53.336 -10.805 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.919 -11.824 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 29 51.780 -11.245 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.639 -12.852 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.853 -12.567 -0.568 1.00 0.00 H new ATOM 473 N GLY A 30 56.688 -13.290 -4.736 1.00 0.00 N ATOM 474 CA GLY A 30 57.508 -14.099 -5.688 1.00 0.00 C ATOM 475 C GLY A 30 58.490 -13.177 -6.412 1.00 0.00 C ATOM 476 O GLY A 30 58.513 -13.117 -7.625 1.00 0.00 O ATOM 0 H GLY A 30 56.333 -12.411 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 30 58.050 -14.877 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 30 56.862 -14.600 -6.409 1.00 0.00 H new ATOM 480 N ALA A 31 59.297 -12.454 -5.676 1.00 0.00 N ATOM 481 CA ALA A 31 60.275 -11.529 -6.319 1.00 0.00 C ATOM 482 C ALA A 31 61.709 -11.914 -5.934 1.00 0.00 C ATOM 483 O ALA A 31 62.155 -11.668 -4.827 1.00 0.00 O ATOM 484 CB ALA A 31 59.918 -10.141 -5.782 1.00 0.00 C ATOM 0 H ALA A 31 59.319 -12.466 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 31 60.226 -11.567 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.594 -9.401 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.892 -9.897 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 31 60.013 -10.135 -4.696 1.00 0.00 H new ATOM 490 N GLU A 32 62.429 -12.515 -6.854 1.00 0.00 N ATOM 491 CA GLU A 32 63.845 -12.930 -6.591 1.00 0.00 C ATOM 492 C GLU A 32 63.948 -13.758 -5.293 1.00 0.00 C ATOM 493 O GLU A 32 63.416 -14.849 -5.216 1.00 0.00 O ATOM 494 CB GLU A 32 64.632 -11.612 -6.504 1.00 0.00 C ATOM 495 CG GLU A 32 64.633 -10.930 -7.878 1.00 0.00 C ATOM 496 CD GLU A 32 63.803 -9.645 -7.823 1.00 0.00 C ATOM 497 OE1 GLU A 32 62.599 -9.729 -8.008 1.00 0.00 O ATOM 498 OE2 GLU A 32 64.385 -8.596 -7.604 1.00 0.00 O ATOM 0 H GLU A 32 62.089 -12.738 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 32 64.242 -13.577 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 32 64.182 -10.955 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 32 65.655 -11.806 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 32 65.655 -10.700 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 32 64.224 -11.606 -8.629 1.00 0.00 H new ATOM 505 N ASP A 33 64.625 -13.265 -4.280 1.00 0.00 N ATOM 506 CA ASP A 33 64.754 -14.047 -3.010 1.00 0.00 C ATOM 507 C ASP A 33 63.992 -13.360 -1.863 1.00 0.00 C ATOM 508 O ASP A 33 64.428 -13.366 -0.727 1.00 0.00 O ATOM 509 CB ASP A 33 66.261 -14.078 -2.723 1.00 0.00 C ATOM 510 CG ASP A 33 66.728 -15.526 -2.566 1.00 0.00 C ATOM 511 OD1 ASP A 33 66.699 -16.019 -1.450 1.00 0.00 O ATOM 512 OD2 ASP A 33 67.110 -16.116 -3.562 1.00 0.00 O ATOM 0 H ASP A 33 65.092 -12.358 -4.279 1.00 0.00 H new ATOM 0 HA ASP A 33 64.331 -15.048 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 33 66.805 -13.597 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 33 66.479 -13.515 -1.815 1.00 0.00 H new ATOM 517 N GLY A 34 62.852 -12.777 -2.148 1.00 0.00 N ATOM 518 CA GLY A 34 62.062 -12.101 -1.072 1.00 0.00 C ATOM 519 C GLY A 34 62.440 -10.620 -0.991 1.00 0.00 C ATOM 520 O GLY A 34 62.584 -10.070 0.083 1.00 0.00 O ATOM 0 H GLY A 34 62.435 -12.740 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.996 -12.201 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.250 -12.585 -0.114 1.00 0.00 H new ATOM 524 N CYS A 35 62.591 -9.968 -2.115 1.00 0.00 N ATOM 525 CA CYS A 35 62.946 -8.519 -2.105 1.00 0.00 C ATOM 526 C CYS A 35 61.944 -7.738 -2.962 1.00 0.00 C ATOM 527 O CYS A 35 61.751 -8.037 -4.126 1.00 0.00 O ATOM 528 CB CYS A 35 64.347 -8.444 -2.714 1.00 0.00 C ATOM 529 SG CYS A 35 65.538 -9.227 -1.597 1.00 0.00 S ATOM 0 H CYS A 35 62.483 -10.379 -3.042 1.00 0.00 H new ATOM 0 HA CYS A 35 62.921 -8.090 -1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.360 -8.942 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.624 -7.404 -2.886 1.00 0.00 H new ATOM 0 HG CYS A 35 66.260 -8.312 -1.022 1.00 0.00 H new ATOM 535 N ILE A 36 61.301 -6.746 -2.397 1.00 0.00 N ATOM 536 CA ILE A 36 60.304 -5.949 -3.182 1.00 0.00 C ATOM 537 C ILE A 36 60.983 -5.306 -4.401 1.00 0.00 C ATOM 538 O ILE A 36 61.839 -4.452 -4.270 1.00 0.00 O ATOM 539 CB ILE A 36 59.779 -4.883 -2.209 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.935 -5.562 -1.125 1.00 0.00 C ATOM 541 CG2 ILE A 36 58.909 -3.869 -2.959 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.678 -4.580 0.021 1.00 0.00 C ATOM 0 H ILE A 36 61.422 -6.453 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 36 59.492 -6.565 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 36 60.625 -4.365 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 36 57.988 -5.900 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.450 -6.446 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.542 -3.117 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.502 -3.384 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.064 -4.383 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.078 -5.067 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.629 -4.264 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.144 -3.709 -0.359 1.00 0.00 H new ATOM 554 N SER A 37 60.606 -5.723 -5.583 1.00 0.00 N ATOM 555 CA SER A 37 61.223 -5.153 -6.821 1.00 0.00 C ATOM 556 C SER A 37 60.225 -4.232 -7.541 1.00 0.00 C ATOM 557 O SER A 37 59.156 -3.944 -7.033 1.00 0.00 O ATOM 558 CB SER A 37 61.567 -6.371 -7.687 1.00 0.00 C ATOM 559 OG SER A 37 62.835 -6.168 -8.298 1.00 0.00 O ATOM 0 H SER A 37 59.895 -6.436 -5.745 1.00 0.00 H new ATOM 0 HA SER A 37 62.103 -4.547 -6.605 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.585 -7.273 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 37 60.802 -6.518 -8.449 1.00 0.00 H new ATOM 0 HG SER A 37 63.404 -6.950 -8.139 1.00 0.00 H new ATOM 565 N THR A 38 60.568 -3.767 -8.718 1.00 0.00 N ATOM 566 CA THR A 38 59.644 -2.858 -9.480 1.00 0.00 C ATOM 567 C THR A 38 58.297 -3.549 -9.750 1.00 0.00 C ATOM 568 O THR A 38 57.249 -2.947 -9.621 1.00 0.00 O ATOM 569 CB THR A 38 60.360 -2.558 -10.806 1.00 0.00 C ATOM 570 OG1 THR A 38 60.850 -3.768 -11.369 1.00 0.00 O ATOM 571 CG2 THR A 38 61.528 -1.600 -10.560 1.00 0.00 C ATOM 0 H THR A 38 61.449 -3.976 -9.188 1.00 0.00 H new ATOM 0 HA THR A 38 59.428 -1.950 -8.918 1.00 0.00 H new ATOM 0 HB THR A 38 59.654 -2.096 -11.496 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.305 -3.574 -12.215 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.032 -1.391 -11.504 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.152 -0.669 -10.135 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.233 -2.057 -9.866 1.00 0.00 H new ATOM 579 N LYS A 39 58.323 -4.805 -10.129 1.00 0.00 N ATOM 580 CA LYS A 39 57.049 -5.542 -10.419 1.00 0.00 C ATOM 581 C LYS A 39 56.186 -5.685 -9.154 1.00 0.00 C ATOM 582 O LYS A 39 54.979 -5.532 -9.204 1.00 0.00 O ATOM 583 CB LYS A 39 57.493 -6.919 -10.920 1.00 0.00 C ATOM 584 CG LYS A 39 56.301 -7.646 -11.554 1.00 0.00 C ATOM 585 CD LYS A 39 56.801 -8.613 -12.631 1.00 0.00 C ATOM 586 CE LYS A 39 56.819 -7.905 -13.993 1.00 0.00 C ATOM 587 NZ LYS A 39 56.039 -8.790 -14.906 1.00 0.00 N ATOM 0 H LYS A 39 59.174 -5.354 -10.251 1.00 0.00 H new ATOM 0 HA LYS A 39 56.437 -5.011 -11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.295 -6.810 -11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.892 -7.507 -10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 39 55.747 -8.192 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 39 55.612 -6.923 -11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 39 57.801 -8.966 -12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 39 56.155 -9.490 -12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 39 56.370 -6.914 -13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 39 57.839 -7.770 -14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 56.009 -8.369 -15.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 56.493 -9.724 -14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 55.070 -8.895 -14.543 1.00 0.00 H new ATOM 601 N GLU A 40 56.789 -5.980 -8.026 1.00 0.00 N ATOM 602 CA GLU A 40 55.989 -6.133 -6.767 1.00 0.00 C ATOM 603 C GLU A 40 55.400 -4.780 -6.355 1.00 0.00 C ATOM 604 O GLU A 40 54.230 -4.679 -6.036 1.00 0.00 O ATOM 605 CB GLU A 40 56.971 -6.650 -5.707 1.00 0.00 C ATOM 606 CG GLU A 40 57.524 -8.024 -6.121 1.00 0.00 C ATOM 607 CD GLU A 40 56.386 -9.045 -6.265 1.00 0.00 C ATOM 608 OE1 GLU A 40 55.766 -9.069 -7.317 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.161 -9.794 -5.328 1.00 0.00 O ATOM 0 H GLU A 40 57.794 -6.121 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 40 55.153 -6.820 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 40 57.791 -5.942 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.469 -6.727 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.062 -7.936 -7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.240 -8.373 -5.377 1.00 0.00 H new ATOM 616 N LEU A 41 56.193 -3.736 -6.379 1.00 0.00 N ATOM 617 CA LEU A 41 55.664 -2.387 -6.008 1.00 0.00 C ATOM 618 C LEU A 41 54.580 -1.965 -7.013 1.00 0.00 C ATOM 619 O LEU A 41 53.561 -1.411 -6.642 1.00 0.00 O ATOM 620 CB LEU A 41 56.885 -1.453 -6.070 1.00 0.00 C ATOM 621 CG LEU A 41 56.446 0.008 -6.258 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.393 0.388 -5.212 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.664 0.921 -6.104 1.00 0.00 C ATOM 0 H LEU A 41 57.179 -3.760 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 41 55.201 -2.366 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.467 -1.547 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.535 -1.751 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 41 56.013 0.124 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.092 1.425 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.523 -0.260 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.813 0.270 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 41 57.360 1.959 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.092 0.792 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.410 0.663 -6.856 1.00 0.00 H new ATOM 635 N GLY A 42 54.790 -2.237 -8.279 1.00 0.00 N ATOM 636 CA GLY A 42 53.776 -1.865 -9.311 1.00 0.00 C ATOM 637 C GLY A 42 52.444 -2.573 -9.023 1.00 0.00 C ATOM 638 O GLY A 42 51.385 -2.044 -9.305 1.00 0.00 O ATOM 0 H GLY A 42 55.623 -2.702 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.629 -0.785 -9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.136 -2.141 -10.302 1.00 0.00 H new ATOM 642 N LYS A 43 52.485 -3.757 -8.454 1.00 0.00 N ATOM 643 CA LYS A 43 51.214 -4.486 -8.134 1.00 0.00 C ATOM 644 C LYS A 43 50.352 -3.629 -7.195 1.00 0.00 C ATOM 645 O LYS A 43 49.174 -3.429 -7.430 1.00 0.00 O ATOM 646 CB LYS A 43 51.657 -5.780 -7.442 1.00 0.00 C ATOM 647 CG LYS A 43 50.720 -6.926 -7.843 1.00 0.00 C ATOM 648 CD LYS A 43 51.421 -7.840 -8.857 1.00 0.00 C ATOM 649 CE LYS A 43 52.583 -8.579 -8.179 1.00 0.00 C ATOM 650 NZ LYS A 43 53.757 -8.363 -9.073 1.00 0.00 N ATOM 0 H LYS A 43 53.341 -4.248 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 43 50.614 -4.694 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.683 -6.021 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.644 -5.648 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.433 -7.499 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 43 49.803 -6.524 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 43 50.710 -8.559 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 43 51.793 -7.250 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.771 -8.185 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.363 -9.641 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.605 -8.782 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 53.580 -8.813 -9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 53.906 -7.343 -9.209 1.00 0.00 H new ATOM 664 N VAL A 44 50.942 -3.101 -6.148 1.00 0.00 N ATOM 665 CA VAL A 44 50.171 -2.233 -5.201 1.00 0.00 C ATOM 666 C VAL A 44 49.855 -0.883 -5.869 1.00 0.00 C ATOM 667 O VAL A 44 48.847 -0.266 -5.582 1.00 0.00 O ATOM 668 CB VAL A 44 51.089 -2.041 -3.988 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.423 -1.106 -2.975 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.348 -3.397 -3.325 1.00 0.00 C ATOM 0 H VAL A 44 51.925 -3.234 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 44 49.218 -2.677 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 44 52.032 -1.605 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.080 -0.973 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.236 -0.139 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.478 -1.539 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.001 -3.262 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.402 -3.830 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.826 -4.066 -4.040 1.00 0.00 H new ATOM 680 N MET A 45 50.702 -0.430 -6.768 1.00 0.00 N ATOM 681 CA MET A 45 50.439 0.871 -7.468 1.00 0.00 C ATOM 682 C MET A 45 49.097 0.802 -8.210 1.00 0.00 C ATOM 683 O MET A 45 48.340 1.754 -8.230 1.00 0.00 O ATOM 684 CB MET A 45 51.591 1.037 -8.467 1.00 0.00 C ATOM 685 CG MET A 45 52.851 1.501 -7.733 1.00 0.00 C ATOM 686 SD MET A 45 52.904 3.308 -7.716 1.00 0.00 S ATOM 687 CE MET A 45 54.234 3.477 -6.503 1.00 0.00 C ATOM 0 H MET A 45 51.561 -0.904 -7.046 1.00 0.00 H new ATOM 0 HA MET A 45 50.385 1.708 -6.772 1.00 0.00 H new ATOM 0 HB2 MET A 45 51.782 0.092 -8.976 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.318 1.762 -9.234 1.00 0.00 H new ATOM 0 HG2 MET A 45 52.854 1.116 -6.713 1.00 0.00 H new ATOM 0 HG3 MET A 45 53.739 1.105 -8.225 1.00 0.00 H new ATOM 0 HE1 MET A 45 54.585 4.509 -6.489 1.00 0.00 H new ATOM 0 HE2 MET A 45 53.862 3.207 -5.515 1.00 0.00 H new ATOM 0 HE3 MET A 45 55.058 2.817 -6.773 1.00 0.00 H new ATOM 697 N ARG A 46 48.798 -0.328 -8.808 1.00 0.00 N ATOM 698 CA ARG A 46 47.503 -0.482 -9.542 1.00 0.00 C ATOM 699 C ARG A 46 46.317 -0.377 -8.567 1.00 0.00 C ATOM 700 O ARG A 46 45.260 0.107 -8.924 1.00 0.00 O ATOM 701 CB ARG A 46 47.563 -1.878 -10.170 1.00 0.00 C ATOM 702 CG ARG A 46 46.491 -2.003 -11.258 1.00 0.00 C ATOM 703 CD ARG A 46 45.638 -3.249 -11.005 1.00 0.00 C ATOM 704 NE ARG A 46 44.630 -2.829 -9.986 1.00 0.00 N ATOM 705 CZ ARG A 46 44.265 -3.655 -9.046 1.00 0.00 C ATOM 706 NH1 ARG A 46 45.118 -4.022 -8.136 1.00 0.00 N ATOM 707 NH2 ARG A 46 43.046 -4.110 -9.019 1.00 0.00 N ATOM 0 H ARG A 46 49.398 -1.152 -8.818 1.00 0.00 H new ATOM 0 HA ARG A 46 47.362 0.296 -10.293 1.00 0.00 H new ATOM 0 HB2 ARG A 46 48.550 -2.053 -10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.408 -2.638 -9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 46 45.860 -1.114 -11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 46 46.961 -2.066 -12.239 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.155 -3.589 -11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.247 -4.076 -10.640 1.00 0.00 H new ATOM 0 HE ARG A 46 44.226 -1.893 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 46 46.073 -3.664 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 46 44.832 -4.668 -7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 46 42.378 -3.820 -9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 46 42.759 -4.756 -8.284 1.00 0.00 H new ATOM 721 N MET A 47 46.489 -0.819 -7.338 1.00 0.00 N ATOM 722 CA MET A 47 45.372 -0.734 -6.337 1.00 0.00 C ATOM 723 C MET A 47 44.977 0.733 -6.110 1.00 0.00 C ATOM 724 O MET A 47 43.813 1.052 -5.956 1.00 0.00 O ATOM 725 CB MET A 47 45.924 -1.342 -5.040 1.00 0.00 C ATOM 726 CG MET A 47 46.175 -2.843 -5.227 1.00 0.00 C ATOM 727 SD MET A 47 44.706 -3.770 -4.719 1.00 0.00 S ATOM 728 CE MET A 47 45.293 -4.239 -3.072 1.00 0.00 C ATOM 0 H MET A 47 47.352 -1.233 -6.987 1.00 0.00 H new ATOM 0 HA MET A 47 44.482 -1.262 -6.680 1.00 0.00 H new ATOM 0 HB2 MET A 47 46.852 -0.842 -4.761 1.00 0.00 H new ATOM 0 HB3 MET A 47 45.218 -1.182 -4.225 1.00 0.00 H new ATOM 0 HG2 MET A 47 46.409 -3.056 -6.270 1.00 0.00 H new ATOM 0 HG3 MET A 47 47.037 -3.155 -4.637 1.00 0.00 H new ATOM 0 HE1 MET A 47 44.770 -5.137 -2.741 1.00 0.00 H new ATOM 0 HE2 MET A 47 46.364 -4.436 -3.110 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.098 -3.427 -2.371 1.00 0.00 H new ATOM 738 N LEU A 48 45.939 1.626 -6.094 1.00 0.00 N ATOM 739 CA LEU A 48 45.624 3.075 -5.888 1.00 0.00 C ATOM 740 C LEU A 48 44.864 3.630 -7.102 1.00 0.00 C ATOM 741 O LEU A 48 43.956 4.428 -6.965 1.00 0.00 O ATOM 742 CB LEU A 48 46.983 3.766 -5.747 1.00 0.00 C ATOM 743 CG LEU A 48 46.861 4.911 -4.744 1.00 0.00 C ATOM 744 CD1 LEU A 48 47.465 4.487 -3.404 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.607 6.136 -5.273 1.00 0.00 C ATOM 0 H LEU A 48 46.929 1.413 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 48 44.993 3.237 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.735 3.052 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 48 47.313 4.147 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 48 45.808 5.158 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 48 47.377 5.306 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 48 46.932 3.615 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 48 48.517 4.238 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.519 6.953 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 48 48.659 5.888 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 48 47.175 6.441 -6.226 1.00 0.00 H new ATOM 757 N GLY A 49 45.228 3.201 -8.285 1.00 0.00 N ATOM 758 CA GLY A 49 44.530 3.686 -9.517 1.00 0.00 C ATOM 759 C GLY A 49 45.540 4.151 -10.582 1.00 0.00 C ATOM 760 O GLY A 49 45.161 4.757 -11.566 1.00 0.00 O ATOM 0 H GLY A 49 45.981 2.533 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 49 43.909 2.888 -9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 49 43.863 4.509 -9.260 1.00 0.00 H new ATOM 764 N GLN A 50 46.813 3.876 -10.408 1.00 0.00 N ATOM 765 CA GLN A 50 47.819 4.312 -11.424 1.00 0.00 C ATOM 766 C GLN A 50 48.687 3.127 -11.864 1.00 0.00 C ATOM 767 O GLN A 50 49.109 2.319 -11.058 1.00 0.00 O ATOM 768 CB GLN A 50 48.670 5.370 -10.714 1.00 0.00 C ATOM 769 CG GLN A 50 47.864 6.667 -10.572 1.00 0.00 C ATOM 770 CD GLN A 50 47.608 6.951 -9.091 1.00 0.00 C ATOM 771 OE1 GLN A 50 46.596 6.554 -8.551 1.00 0.00 O ATOM 772 NE2 GLN A 50 48.489 7.624 -8.406 1.00 0.00 N ATOM 0 H GLN A 50 47.195 3.370 -9.609 1.00 0.00 H new ATOM 0 HA GLN A 50 47.347 4.705 -12.324 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.973 5.008 -9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 50 49.583 5.557 -11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 50 48.408 7.497 -11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 50 46.917 6.579 -11.105 1.00 0.00 H new ATOM 0 HE21 GLN A 50 49.340 7.958 -8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 50 48.328 7.816 -7.417 1.00 0.00 H new ATOM 781 N ASN A 51 48.957 3.026 -13.140 1.00 0.00 N ATOM 782 CA ASN A 51 49.802 1.903 -13.649 1.00 0.00 C ATOM 783 C ASN A 51 51.029 2.469 -14.386 1.00 0.00 C ATOM 784 O ASN A 51 51.042 2.546 -15.600 1.00 0.00 O ATOM 785 CB ASN A 51 48.890 1.126 -14.607 1.00 0.00 C ATOM 786 CG ASN A 51 48.327 -0.108 -13.897 1.00 0.00 C ATOM 787 OD1 ASN A 51 47.151 -0.171 -13.606 1.00 0.00 O ATOM 788 ND2 ASN A 51 49.121 -1.100 -13.605 1.00 0.00 N ATOM 0 H ASN A 51 48.628 3.675 -13.854 1.00 0.00 H new ATOM 0 HA ASN A 51 50.181 1.263 -12.852 1.00 0.00 H new ATOM 0 HB2 ASN A 51 48.075 1.765 -14.947 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.449 0.824 -15.493 1.00 0.00 H new ATOM 0 HD21 ASN A 51 48.753 -1.926 -13.133 1.00 0.00 H new ATOM 0 HD22 ASN A 51 50.110 -1.050 -13.848 1.00 0.00 H new ATOM 795 N PRO A 52 52.021 2.862 -13.615 1.00 0.00 N ATOM 796 CA PRO A 52 53.260 3.443 -14.196 1.00 0.00 C ATOM 797 C PRO A 52 54.174 2.344 -14.760 1.00 0.00 C ATOM 798 O PRO A 52 53.978 1.168 -14.512 1.00 0.00 O ATOM 799 CB PRO A 52 53.921 4.133 -13.004 1.00 0.00 C ATOM 800 CG PRO A 52 53.410 3.415 -11.793 1.00 0.00 C ATOM 801 CD PRO A 52 52.078 2.803 -12.148 1.00 0.00 C ATOM 0 HA PRO A 52 53.059 4.119 -15.027 1.00 0.00 H new ATOM 0 HB2 PRO A 52 55.007 4.071 -13.068 1.00 0.00 H new ATOM 0 HB3 PRO A 52 53.663 5.192 -12.971 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.114 2.643 -11.481 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.302 4.106 -10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 52 52.006 1.776 -11.790 1.00 0.00 H new ATOM 0 HD3 PRO A 52 51.255 3.357 -11.697 1.00 0.00 H new ATOM 809 N THR A 53 55.179 2.727 -15.508 1.00 0.00 N ATOM 810 CA THR A 53 56.124 1.718 -16.085 1.00 0.00 C ATOM 811 C THR A 53 57.089 1.227 -14.992 1.00 0.00 C ATOM 812 O THR A 53 57.145 1.802 -13.921 1.00 0.00 O ATOM 813 CB THR A 53 56.888 2.465 -17.189 1.00 0.00 C ATOM 814 OG1 THR A 53 57.477 3.642 -16.651 1.00 0.00 O ATOM 815 CG2 THR A 53 55.927 2.848 -18.318 1.00 0.00 C ATOM 0 H THR A 53 55.387 3.697 -15.745 1.00 0.00 H new ATOM 0 HA THR A 53 55.609 0.841 -16.478 1.00 0.00 H new ATOM 0 HB THR A 53 57.669 1.815 -17.584 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.965 4.116 -17.357 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.474 3.377 -19.098 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.480 1.946 -18.737 1.00 0.00 H new ATOM 0 HG23 THR A 53 55.142 3.493 -17.924 1.00 0.00 H new ATOM 823 N PRO A 54 57.824 0.178 -15.291 1.00 0.00 N ATOM 824 CA PRO A 54 58.791 -0.378 -14.302 1.00 0.00 C ATOM 825 C PRO A 54 59.911 0.631 -14.004 1.00 0.00 C ATOM 826 O PRO A 54 60.499 0.611 -12.939 1.00 0.00 O ATOM 827 CB PRO A 54 59.328 -1.631 -14.994 1.00 0.00 C ATOM 828 CG PRO A 54 59.118 -1.373 -16.450 1.00 0.00 C ATOM 829 CD PRO A 54 57.844 -0.579 -16.551 1.00 0.00 C ATOM 0 HA PRO A 54 58.339 -0.598 -13.335 1.00 0.00 H new ATOM 0 HB2 PRO A 54 60.382 -1.789 -14.767 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.795 -2.524 -14.668 1.00 0.00 H new ATOM 0 HG2 PRO A 54 59.957 -0.820 -16.873 1.00 0.00 H new ATOM 0 HG3 PRO A 54 59.040 -2.308 -17.005 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.848 0.081 -17.418 1.00 0.00 H new ATOM 0 HD3 PRO A 54 56.972 -1.226 -16.647 1.00 0.00 H new ATOM 837 N GLU A 55 60.195 1.522 -14.927 1.00 0.00 N ATOM 838 CA GLU A 55 61.263 2.545 -14.687 1.00 0.00 C ATOM 839 C GLU A 55 60.850 3.474 -13.539 1.00 0.00 C ATOM 840 O GLU A 55 61.661 3.848 -12.714 1.00 0.00 O ATOM 841 CB GLU A 55 61.375 3.342 -15.991 1.00 0.00 C ATOM 842 CG GLU A 55 61.778 2.417 -17.146 1.00 0.00 C ATOM 843 CD GLU A 55 60.635 2.340 -18.160 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.519 3.250 -18.964 1.00 0.00 O ATOM 845 OE2 GLU A 55 59.893 1.374 -18.111 1.00 0.00 O ATOM 0 H GLU A 55 59.734 1.584 -15.835 1.00 0.00 H new ATOM 0 HA GLU A 55 62.211 2.083 -14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.422 3.821 -16.215 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.113 4.136 -15.878 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.681 2.791 -17.628 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.009 1.422 -16.766 1.00 0.00 H new ATOM 852 N GLU A 56 59.588 3.840 -13.481 1.00 0.00 N ATOM 853 CA GLU A 56 59.104 4.738 -12.383 1.00 0.00 C ATOM 854 C GLU A 56 59.472 4.143 -11.019 1.00 0.00 C ATOM 855 O GLU A 56 59.981 4.828 -10.152 1.00 0.00 O ATOM 856 CB GLU A 56 57.579 4.799 -12.556 1.00 0.00 C ATOM 857 CG GLU A 56 56.948 5.568 -11.386 1.00 0.00 C ATOM 858 CD GLU A 56 56.579 6.985 -11.834 1.00 0.00 C ATOM 859 OE1 GLU A 56 57.452 7.835 -11.821 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.427 7.196 -12.176 1.00 0.00 O ATOM 0 H GLU A 56 58.872 3.554 -14.149 1.00 0.00 H new ATOM 0 HA GLU A 56 59.554 5.730 -12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.331 5.287 -13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.169 3.790 -12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 56 56.059 5.045 -11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 56 57.645 5.611 -10.549 1.00 0.00 H new ATOM 867 N LEU A 57 59.230 2.870 -10.827 1.00 0.00 N ATOM 868 CA LEU A 57 59.578 2.237 -9.521 1.00 0.00 C ATOM 869 C LEU A 57 61.087 1.960 -9.450 1.00 0.00 C ATOM 870 O LEU A 57 61.664 1.951 -8.379 1.00 0.00 O ATOM 871 CB LEU A 57 58.793 0.922 -9.451 1.00 0.00 C ATOM 872 CG LEU A 57 57.268 1.160 -9.529 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.894 2.528 -8.949 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.803 1.089 -10.987 1.00 0.00 C ATOM 0 H LEU A 57 58.809 2.246 -11.515 1.00 0.00 H new ATOM 0 HA LEU A 57 59.325 2.891 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.102 0.270 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.033 0.404 -8.522 1.00 0.00 H new ATOM 0 HG LEU A 57 56.776 0.384 -8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.815 2.669 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.202 2.577 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.399 3.313 -9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.727 1.258 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.316 1.854 -11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.034 0.105 -11.395 1.00 0.00 H new ATOM 886 N GLN A 58 61.739 1.749 -10.576 1.00 0.00 N ATOM 887 CA GLN A 58 63.214 1.497 -10.546 1.00 0.00 C ATOM 888 C GLN A 58 63.918 2.709 -9.915 1.00 0.00 C ATOM 889 O GLN A 58 64.889 2.569 -9.200 1.00 0.00 O ATOM 890 CB GLN A 58 63.622 1.261 -12.017 1.00 0.00 C ATOM 891 CG GLN A 58 64.405 2.453 -12.586 1.00 0.00 C ATOM 892 CD GLN A 58 65.905 2.200 -12.423 1.00 0.00 C ATOM 893 OE1 GLN A 58 66.445 1.283 -13.006 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.604 2.978 -11.649 1.00 0.00 N ATOM 0 H GLN A 58 61.314 1.741 -11.503 1.00 0.00 H new ATOM 0 HA GLN A 58 63.497 0.634 -9.943 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.230 0.359 -12.086 1.00 0.00 H new ATOM 0 HB3 GLN A 58 62.730 1.090 -12.619 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.161 2.593 -13.639 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.121 3.369 -12.068 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.152 3.749 -11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.604 2.817 -11.533 1.00 0.00 H new ATOM 903 N GLU A 59 63.402 3.895 -10.142 1.00 0.00 N ATOM 904 CA GLU A 59 64.008 5.110 -9.518 1.00 0.00 C ATOM 905 C GLU A 59 63.738 5.068 -8.007 1.00 0.00 C ATOM 906 O GLU A 59 64.576 5.432 -7.203 1.00 0.00 O ATOM 907 CB GLU A 59 63.294 6.297 -10.174 1.00 0.00 C ATOM 908 CG GLU A 59 64.286 7.082 -11.041 1.00 0.00 C ATOM 909 CD GLU A 59 64.801 6.192 -12.177 1.00 0.00 C ATOM 910 OE1 GLU A 59 64.060 5.980 -13.123 1.00 0.00 O ATOM 911 OE2 GLU A 59 65.929 5.739 -12.079 1.00 0.00 O ATOM 0 H GLU A 59 62.589 4.071 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 59 65.086 5.178 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 59 62.464 5.942 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 59 62.871 6.948 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 59 63.802 7.968 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 59 65.121 7.429 -10.432 1.00 0.00 H new ATOM 918 N MET A 60 62.572 4.592 -7.626 1.00 0.00 N ATOM 919 CA MET A 60 62.224 4.480 -6.175 1.00 0.00 C ATOM 920 C MET A 60 63.181 3.498 -5.484 1.00 0.00 C ATOM 921 O MET A 60 63.682 3.763 -4.409 1.00 0.00 O ATOM 922 CB MET A 60 60.786 3.936 -6.145 1.00 0.00 C ATOM 923 CG MET A 60 59.811 5.083 -5.875 1.00 0.00 C ATOM 924 SD MET A 60 58.125 4.547 -6.260 1.00 0.00 S ATOM 925 CE MET A 60 57.940 5.462 -7.810 1.00 0.00 C ATOM 0 H MET A 60 61.844 4.275 -8.266 1.00 0.00 H new ATOM 0 HA MET A 60 62.306 5.435 -5.655 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.547 3.458 -7.095 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.690 3.174 -5.372 1.00 0.00 H new ATOM 0 HG2 MET A 60 59.876 5.392 -4.832 1.00 0.00 H new ATOM 0 HG3 MET A 60 60.076 5.949 -6.481 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.905 5.403 -8.146 1.00 0.00 H new ATOM 0 HE2 MET A 60 58.211 6.506 -7.651 1.00 0.00 H new ATOM 0 HE3 MET A 60 58.593 5.029 -8.568 1.00 0.00 H new ATOM 935 N ILE A 61 63.438 2.369 -6.104 1.00 0.00 N ATOM 936 CA ILE A 61 64.365 1.361 -5.496 1.00 0.00 C ATOM 937 C ILE A 61 65.803 1.911 -5.449 1.00 0.00 C ATOM 938 O ILE A 61 66.548 1.622 -4.536 1.00 0.00 O ATOM 939 CB ILE A 61 64.251 0.116 -6.402 1.00 0.00 C ATOM 940 CG1 ILE A 61 64.254 -1.148 -5.536 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.419 0.045 -7.394 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.081 -2.048 -5.939 1.00 0.00 C ATOM 0 H ILE A 61 63.045 2.102 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 61 64.107 1.121 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 61 63.320 0.188 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.196 -1.683 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.175 -0.880 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.312 -0.842 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.416 0.935 -8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 61 66.359 -0.009 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.084 -2.947 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.144 -1.511 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.180 -2.327 -6.988 1.00 0.00 H new ATOM 954 N ASP A 62 66.190 2.706 -6.418 1.00 0.00 N ATOM 955 CA ASP A 62 67.574 3.279 -6.422 1.00 0.00 C ATOM 956 C ASP A 62 67.722 4.321 -5.303 1.00 0.00 C ATOM 957 O ASP A 62 68.765 4.444 -4.691 1.00 0.00 O ATOM 958 CB ASP A 62 67.727 3.942 -7.798 1.00 0.00 C ATOM 959 CG ASP A 62 68.290 2.935 -8.808 1.00 0.00 C ATOM 960 OD1 ASP A 62 67.799 1.818 -8.847 1.00 0.00 O ATOM 961 OD2 ASP A 62 69.200 3.303 -9.531 1.00 0.00 O ATOM 0 H ASP A 62 65.606 2.983 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 62 68.335 2.518 -6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.761 4.312 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.390 4.804 -7.723 1.00 0.00 H new ATOM 966 N GLU A 63 66.681 5.072 -5.035 1.00 0.00 N ATOM 967 CA GLU A 63 66.748 6.112 -3.960 1.00 0.00 C ATOM 968 C GLU A 63 66.922 5.468 -2.574 1.00 0.00 C ATOM 969 O GLU A 63 67.595 6.009 -1.716 1.00 0.00 O ATOM 970 CB GLU A 63 65.407 6.846 -4.041 1.00 0.00 C ATOM 971 CG GLU A 63 65.489 8.160 -3.256 1.00 0.00 C ATOM 972 CD GLU A 63 64.436 8.163 -2.146 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.731 7.664 -1.073 1.00 0.00 O ATOM 974 OE2 GLU A 63 63.352 8.670 -2.387 1.00 0.00 O ATOM 0 H GLU A 63 65.784 5.009 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 63 67.599 6.780 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.154 7.048 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.613 6.218 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.484 8.277 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.329 9.005 -3.925 1.00 0.00 H new ATOM 981 N VAL A 64 66.316 4.328 -2.344 1.00 0.00 N ATOM 982 CA VAL A 64 66.445 3.669 -1.001 1.00 0.00 C ATOM 983 C VAL A 64 67.441 2.494 -1.029 1.00 0.00 C ATOM 984 O VAL A 64 67.872 2.031 0.011 1.00 0.00 O ATOM 985 CB VAL A 64 65.036 3.168 -0.641 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.066 4.352 -0.578 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.545 2.164 -1.692 1.00 0.00 C ATOM 0 H VAL A 64 65.741 3.827 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 64 66.831 4.374 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 64 65.077 2.676 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.069 3.993 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.403 5.058 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.035 4.849 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.547 1.817 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.513 2.646 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.226 1.314 -1.730 1.00 0.00 H new ATOM 997 N ASP A 65 67.808 2.000 -2.189 1.00 0.00 N ATOM 998 CA ASP A 65 68.772 0.854 -2.231 1.00 0.00 C ATOM 999 C ASP A 65 69.908 1.108 -3.230 1.00 0.00 C ATOM 1000 O ASP A 65 69.704 1.627 -4.310 1.00 0.00 O ATOM 1001 CB ASP A 65 67.951 -0.367 -2.664 1.00 0.00 C ATOM 1002 CG ASP A 65 68.862 -1.600 -2.723 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.658 -1.768 -1.812 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.750 -2.360 -3.673 1.00 0.00 O ATOM 0 H ASP A 65 67.487 2.336 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 65 69.243 0.710 -1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.135 -0.538 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 65 67.500 -0.188 -3.640 1.00 0.00 H new ATOM 1009 N GLU A 66 71.101 0.716 -2.865 1.00 0.00 N ATOM 1010 CA GLU A 66 72.280 0.890 -3.762 1.00 0.00 C ATOM 1011 C GLU A 66 73.356 -0.148 -3.400 1.00 0.00 C ATOM 1012 O GLU A 66 74.538 0.142 -3.381 1.00 0.00 O ATOM 1013 CB GLU A 66 72.775 2.316 -3.492 1.00 0.00 C ATOM 1014 CG GLU A 66 73.390 2.897 -4.769 1.00 0.00 C ATOM 1015 CD GLU A 66 72.283 3.257 -5.766 1.00 0.00 C ATOM 1016 OE1 GLU A 66 71.789 4.370 -5.695 1.00 0.00 O ATOM 1017 OE2 GLU A 66 71.955 2.415 -6.585 1.00 0.00 O ATOM 0 H GLU A 66 71.310 0.276 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 66 72.039 0.746 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.948 2.942 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.514 2.310 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 66 73.977 3.783 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.072 2.174 -5.216 1.00 0.00 H new ATOM 1024 N ASP A 67 72.943 -1.359 -3.104 1.00 0.00 N ATOM 1025 CA ASP A 67 73.918 -2.433 -2.729 1.00 0.00 C ATOM 1026 C ASP A 67 74.228 -3.357 -3.922 1.00 0.00 C ATOM 1027 O ASP A 67 74.935 -4.338 -3.782 1.00 0.00 O ATOM 1028 CB ASP A 67 73.227 -3.212 -1.588 1.00 0.00 C ATOM 1029 CG ASP A 67 72.048 -4.060 -2.109 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.384 -3.641 -3.044 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.815 -5.116 -1.548 1.00 0.00 O ATOM 0 H ASP A 67 71.966 -1.651 -3.106 1.00 0.00 H new ATOM 0 HA ASP A 67 74.878 -2.018 -2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.953 -3.861 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.867 -2.511 -0.835 1.00 0.00 H new ATOM 1036 N GLY A 68 73.706 -3.059 -5.089 1.00 0.00 N ATOM 1037 CA GLY A 68 73.972 -3.927 -6.274 1.00 0.00 C ATOM 1038 C GLY A 68 72.721 -4.751 -6.597 1.00 0.00 C ATOM 1039 O GLY A 68 72.450 -5.053 -7.742 1.00 0.00 O ATOM 0 H GLY A 68 73.108 -2.252 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.248 -3.314 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 68 74.814 -4.589 -6.071 1.00 0.00 H new ATOM 1043 N SER A 69 71.955 -5.113 -5.595 1.00 0.00 N ATOM 1044 CA SER A 69 70.718 -5.915 -5.846 1.00 0.00 C ATOM 1045 C SER A 69 69.663 -5.062 -6.574 1.00 0.00 C ATOM 1046 O SER A 69 69.017 -5.528 -7.493 1.00 0.00 O ATOM 1047 CB SER A 69 70.234 -6.362 -4.454 1.00 0.00 C ATOM 1048 OG SER A 69 69.083 -5.620 -4.062 1.00 0.00 O ATOM 0 H SER A 69 72.134 -4.888 -4.616 1.00 0.00 H new ATOM 0 HA SER A 69 70.903 -6.775 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.000 -7.426 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.031 -6.221 -3.723 1.00 0.00 H new ATOM 0 HG SER A 69 68.294 -5.973 -4.523 1.00 0.00 H new ATOM 1054 N GLY A 70 69.476 -3.823 -6.175 1.00 0.00 N ATOM 1055 CA GLY A 70 68.456 -2.965 -6.855 1.00 0.00 C ATOM 1056 C GLY A 70 67.055 -3.432 -6.453 1.00 0.00 C ATOM 1057 O GLY A 70 66.107 -3.304 -7.205 1.00 0.00 O ATOM 0 H GLY A 70 69.983 -3.374 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.598 -1.921 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.576 -3.025 -7.937 1.00 0.00 H new ATOM 1061 N THR A 71 66.923 -3.971 -5.269 1.00 0.00 N ATOM 1062 CA THR A 71 65.595 -4.454 -4.791 1.00 0.00 C ATOM 1063 C THR A 71 65.400 -4.016 -3.340 1.00 0.00 C ATOM 1064 O THR A 71 66.340 -4.003 -2.566 1.00 0.00 O ATOM 1065 CB THR A 71 65.642 -5.989 -4.882 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.621 -6.401 -5.833 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.272 -6.517 -5.305 1.00 0.00 C ATOM 0 H THR A 71 67.688 -4.098 -4.606 1.00 0.00 H new ATOM 0 HA THR A 71 64.772 -4.052 -5.382 1.00 0.00 H new ATOM 0 HB THR A 71 65.908 -6.390 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.641 -7.380 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.305 -7.605 -5.370 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.525 -6.220 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.007 -6.104 -6.278 1.00 0.00 H new ATOM 1075 N VAL A 72 64.197 -3.657 -2.966 1.00 0.00 N ATOM 1076 CA VAL A 72 63.950 -3.210 -1.559 1.00 0.00 C ATOM 1077 C VAL A 72 63.933 -4.419 -0.613 1.00 0.00 C ATOM 1078 O VAL A 72 63.028 -5.235 -0.642 1.00 0.00 O ATOM 1079 CB VAL A 72 62.581 -2.508 -1.594 1.00 0.00 C ATOM 1080 CG1 VAL A 72 61.951 -2.504 -0.198 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.765 -1.063 -2.061 1.00 0.00 C ATOM 0 H VAL A 72 63.377 -3.654 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 72 64.730 -2.542 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 72 61.927 -3.045 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 72 60.983 -2.004 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 72 61.816 -3.530 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.605 -1.974 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.797 -0.563 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.426 -0.539 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 72 63.204 -1.056 -3.059 1.00 0.00 H new ATOM 1091 N ASP A 73 64.930 -4.531 0.226 1.00 0.00 N ATOM 1092 CA ASP A 73 64.988 -5.676 1.187 1.00 0.00 C ATOM 1093 C ASP A 73 64.128 -5.353 2.420 1.00 0.00 C ATOM 1094 O ASP A 73 63.456 -4.338 2.465 1.00 0.00 O ATOM 1095 CB ASP A 73 66.475 -5.811 1.574 1.00 0.00 C ATOM 1096 CG ASP A 73 67.359 -6.031 0.330 1.00 0.00 C ATOM 1097 OD1 ASP A 73 66.831 -6.333 -0.729 1.00 0.00 O ATOM 1098 OD2 ASP A 73 68.564 -5.890 0.462 1.00 0.00 O ATOM 0 H ASP A 73 65.710 -3.877 0.288 1.00 0.00 H new ATOM 0 HA ASP A 73 64.606 -6.603 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.799 -4.913 2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.599 -6.646 2.264 1.00 0.00 H new ATOM 1103 N PHE A 74 64.145 -6.199 3.422 1.00 0.00 N ATOM 1104 CA PHE A 74 63.328 -5.924 4.649 1.00 0.00 C ATOM 1105 C PHE A 74 63.782 -4.606 5.291 1.00 0.00 C ATOM 1106 O PHE A 74 62.975 -3.758 5.624 1.00 0.00 O ATOM 1107 CB PHE A 74 63.589 -7.106 5.591 1.00 0.00 C ATOM 1108 CG PHE A 74 63.066 -6.778 6.973 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.687 -6.782 7.219 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.959 -6.464 8.006 1.00 0.00 C ATOM 1111 CE1 PHE A 74 61.201 -6.474 8.496 1.00 0.00 C ATOM 1112 CE2 PHE A 74 63.472 -6.157 9.282 1.00 0.00 C ATOM 1113 CZ PHE A 74 62.094 -6.161 9.527 1.00 0.00 C ATOM 0 H PHE A 74 64.686 -7.064 3.445 1.00 0.00 H new ATOM 0 HA PHE A 74 62.266 -5.824 4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.101 -8.003 5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.657 -7.319 5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.998 -7.023 6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 74 65.022 -6.459 7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 74 60.138 -6.478 8.685 1.00 0.00 H new ATOM 0 HE2 PHE A 74 64.161 -5.917 10.079 1.00 0.00 H new ATOM 0 HZ PHE A 74 61.720 -5.923 10.512 1.00 0.00 H new ATOM 1123 N ASP A 75 65.070 -4.432 5.456 1.00 0.00 N ATOM 1124 CA ASP A 75 65.593 -3.172 6.064 1.00 0.00 C ATOM 1125 C ASP A 75 65.226 -1.969 5.185 1.00 0.00 C ATOM 1126 O ASP A 75 64.658 -1.004 5.655 1.00 0.00 O ATOM 1127 CB ASP A 75 67.111 -3.365 6.116 1.00 0.00 C ATOM 1128 CG ASP A 75 67.761 -2.141 6.762 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.813 -2.096 7.980 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.194 -1.268 6.028 1.00 0.00 O ATOM 0 H ASP A 75 65.784 -5.112 5.194 1.00 0.00 H new ATOM 0 HA ASP A 75 65.173 -2.978 7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.355 -4.262 6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.504 -3.510 5.110 1.00 0.00 H new ATOM 1135 N GLU A 76 65.540 -2.028 3.912 1.00 0.00 N ATOM 1136 CA GLU A 76 65.205 -0.893 2.991 1.00 0.00 C ATOM 1137 C GLU A 76 63.695 -0.615 3.007 1.00 0.00 C ATOM 1138 O GLU A 76 63.269 0.524 2.977 1.00 0.00 O ATOM 1139 CB GLU A 76 65.656 -1.358 1.605 1.00 0.00 C ATOM 1140 CG GLU A 76 67.188 -1.289 1.513 1.00 0.00 C ATOM 1141 CD GLU A 76 67.713 -2.381 0.573 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.056 -2.661 -0.413 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.772 -2.917 0.849 1.00 0.00 O ATOM 0 H GLU A 76 66.015 -2.815 3.470 1.00 0.00 H new ATOM 0 HA GLU A 76 65.695 0.034 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.316 -2.378 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.206 -0.731 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.494 -0.308 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.625 -1.412 2.504 1.00 0.00 H new ATOM 1150 N PHE A 77 62.885 -1.646 3.072 1.00 0.00 N ATOM 1151 CA PHE A 77 61.404 -1.439 3.113 1.00 0.00 C ATOM 1152 C PHE A 77 61.025 -0.681 4.392 1.00 0.00 C ATOM 1153 O PHE A 77 60.299 0.295 4.352 1.00 0.00 O ATOM 1154 CB PHE A 77 60.805 -2.849 3.116 1.00 0.00 C ATOM 1155 CG PHE A 77 59.298 -2.766 3.164 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.591 -2.170 2.111 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.606 -3.290 4.262 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.194 -2.099 2.158 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.209 -3.218 4.308 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.503 -2.623 3.257 1.00 0.00 C ATOM 0 H PHE A 77 63.186 -2.620 3.098 1.00 0.00 H new ATOM 0 HA PHE A 77 61.038 -0.851 2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.120 -3.389 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.175 -3.409 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.124 -1.766 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.150 -3.750 5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 77 56.649 -1.640 1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.676 -3.622 5.156 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.425 -2.568 3.293 1.00 0.00 H new ATOM 1170 N LEU A 78 61.530 -1.113 5.524 1.00 0.00 N ATOM 1171 CA LEU A 78 61.218 -0.409 6.807 1.00 0.00 C ATOM 1172 C LEU A 78 61.939 0.958 6.841 1.00 0.00 C ATOM 1173 O LEU A 78 61.438 1.913 7.406 1.00 0.00 O ATOM 1174 CB LEU A 78 61.687 -1.375 7.921 1.00 0.00 C ATOM 1175 CG LEU A 78 62.903 -0.830 8.676 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.425 0.017 9.854 1.00 0.00 C ATOM 1177 CD2 LEU A 78 63.732 -2.002 9.207 1.00 0.00 C ATOM 0 H LEU A 78 62.144 -1.922 5.614 1.00 0.00 H new ATOM 0 HA LEU A 78 60.159 -0.181 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 78 60.870 -1.544 8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 78 61.935 -2.341 7.482 1.00 0.00 H new ATOM 0 HG LEU A 78 63.510 -0.221 8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 78 63.287 0.407 10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 78 61.822 0.847 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 78 61.824 -0.598 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 78 64.599 -1.620 9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 78 63.122 -2.603 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 78 64.066 -2.619 8.373 1.00 0.00 H new ATOM 1189 N VAL A 79 63.090 1.065 6.210 1.00 0.00 N ATOM 1190 CA VAL A 79 63.818 2.377 6.175 1.00 0.00 C ATOM 1191 C VAL A 79 63.020 3.372 5.319 1.00 0.00 C ATOM 1192 O VAL A 79 62.902 4.536 5.648 1.00 0.00 O ATOM 1193 CB VAL A 79 65.184 2.073 5.533 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.788 3.355 4.951 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.137 1.512 6.592 1.00 0.00 C ATOM 0 H VAL A 79 63.554 0.301 5.719 1.00 0.00 H new ATOM 0 HA VAL A 79 63.940 2.818 7.164 1.00 0.00 H new ATOM 0 HB VAL A 79 65.042 1.343 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.754 3.130 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.119 3.761 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.922 4.088 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.103 1.298 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.267 2.244 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.720 0.594 7.007 1.00 0.00 H new ATOM 1205 N MET A 80 62.460 2.907 4.229 1.00 0.00 N ATOM 1206 CA MET A 80 61.647 3.800 3.347 1.00 0.00 C ATOM 1207 C MET A 80 60.349 4.207 4.066 1.00 0.00 C ATOM 1208 O MET A 80 59.789 5.255 3.806 1.00 0.00 O ATOM 1209 CB MET A 80 61.338 2.948 2.111 1.00 0.00 C ATOM 1210 CG MET A 80 60.679 3.810 1.032 1.00 0.00 C ATOM 1211 SD MET A 80 60.970 3.068 -0.596 1.00 0.00 S ATOM 1212 CE MET A 80 60.220 1.455 -0.260 1.00 0.00 C ATOM 0 H MET A 80 62.532 1.941 3.911 1.00 0.00 H new ATOM 0 HA MET A 80 62.167 4.722 3.087 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.257 2.507 1.725 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.678 2.124 2.383 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.608 3.891 1.220 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.086 4.821 1.061 1.00 0.00 H new ATOM 0 HE1 MET A 80 59.968 0.968 -1.202 1.00 0.00 H new ATOM 0 HE2 MET A 80 60.925 0.834 0.293 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.315 1.591 0.332 1.00 0.00 H new ATOM 1222 N MET A 81 59.871 3.379 4.968 1.00 0.00 N ATOM 1223 CA MET A 81 58.614 3.704 5.711 1.00 0.00 C ATOM 1224 C MET A 81 58.823 4.911 6.632 1.00 0.00 C ATOM 1225 O MET A 81 58.099 5.885 6.553 1.00 0.00 O ATOM 1226 CB MET A 81 58.310 2.454 6.539 1.00 0.00 C ATOM 1227 CG MET A 81 57.677 1.394 5.642 1.00 0.00 C ATOM 1228 SD MET A 81 55.909 1.733 5.476 1.00 0.00 S ATOM 1229 CE MET A 81 55.651 0.748 3.987 1.00 0.00 C ATOM 0 H MET A 81 60.301 2.489 5.221 1.00 0.00 H new ATOM 0 HA MET A 81 57.799 3.962 5.035 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.226 2.068 6.986 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.636 2.702 7.359 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.154 1.398 4.662 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.831 0.402 6.067 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.371 1.403 3.162 1.00 0.00 H new ATOM 0 HE2 MET A 81 56.571 0.221 3.736 1.00 0.00 H new ATOM 0 HE3 MET A 81 54.855 0.025 4.163 1.00 0.00 H new ATOM 1239 N VAL A 82 59.804 4.855 7.506 1.00 0.00 N ATOM 1240 CA VAL A 82 60.051 6.009 8.436 1.00 0.00 C ATOM 1241 C VAL A 82 60.348 7.291 7.643 1.00 0.00 C ATOM 1242 O VAL A 82 60.026 8.377 8.083 1.00 0.00 O ATOM 1243 CB VAL A 82 61.255 5.620 9.316 1.00 0.00 C ATOM 1244 CG1 VAL A 82 60.967 4.302 10.039 1.00 0.00 C ATOM 1245 CG2 VAL A 82 62.517 5.461 8.461 1.00 0.00 C ATOM 0 H VAL A 82 60.441 4.066 7.616 1.00 0.00 H new ATOM 0 HA VAL A 82 59.172 6.211 9.048 1.00 0.00 H new ATOM 0 HB VAL A 82 61.417 6.413 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 82 61.822 4.033 10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 82 60.084 4.417 10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 82 60.789 3.516 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 82 63.357 5.186 9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 82 62.356 4.681 7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 82 62.737 6.403 7.958 1.00 0.00 H new ATOM 1255 N ARG A 83 60.942 7.172 6.477 1.00 0.00 N ATOM 1256 CA ARG A 83 61.248 8.384 5.648 1.00 0.00 C ATOM 1257 C ARG A 83 59.982 9.234 5.459 1.00 0.00 C ATOM 1258 O ARG A 83 59.999 10.435 5.651 1.00 0.00 O ATOM 1259 CB ARG A 83 61.734 7.835 4.303 1.00 0.00 C ATOM 1260 CG ARG A 83 63.264 7.753 4.303 1.00 0.00 C ATOM 1261 CD ARG A 83 63.789 7.981 2.883 1.00 0.00 C ATOM 1262 NE ARG A 83 63.609 9.441 2.631 1.00 0.00 N ATOM 1263 CZ ARG A 83 62.811 9.846 1.684 1.00 0.00 C ATOM 1264 NH1 ARG A 83 63.079 9.564 0.443 1.00 0.00 N ATOM 1265 NH2 ARG A 83 61.747 10.535 1.983 1.00 0.00 N ATOM 0 H ARG A 83 61.229 6.285 6.063 1.00 0.00 H new ATOM 0 HA ARG A 83 61.993 9.027 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.307 6.848 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.394 8.479 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.679 8.500 4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.586 6.778 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.837 7.693 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.235 7.385 2.158 1.00 0.00 H new ATOM 0 HE ARG A 83 64.111 10.122 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 83 63.914 9.026 0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 83 62.454 9.881 -0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 83 61.540 10.757 2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 83 61.121 10.853 1.243 1.00 0.00 H new ATOM 1279 N CYS A 84 58.881 8.613 5.104 1.00 0.00 N ATOM 1280 CA CYS A 84 57.605 9.379 4.925 1.00 0.00 C ATOM 1281 C CYS A 84 56.770 9.346 6.221 1.00 0.00 C ATOM 1282 O CYS A 84 55.736 9.981 6.315 1.00 0.00 O ATOM 1283 CB CYS A 84 56.866 8.674 3.783 1.00 0.00 C ATOM 1284 SG CYS A 84 57.604 9.154 2.200 1.00 0.00 S ATOM 0 H CYS A 84 58.811 7.610 4.931 1.00 0.00 H new ATOM 0 HA CYS A 84 57.788 10.429 4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 84 56.924 7.593 3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.809 8.941 3.800 1.00 0.00 H new ATOM 0 HG CYS A 84 56.979 8.555 1.230 1.00 0.00 H new ATOM 1290 N MET A 85 57.216 8.618 7.221 1.00 0.00 N ATOM 1291 CA MET A 85 56.464 8.547 8.514 1.00 0.00 C ATOM 1292 C MET A 85 56.788 9.757 9.412 1.00 0.00 C ATOM 1293 O MET A 85 56.123 9.983 10.405 1.00 0.00 O ATOM 1294 CB MET A 85 56.943 7.250 9.176 1.00 0.00 C ATOM 1295 CG MET A 85 55.838 6.687 10.072 1.00 0.00 C ATOM 1296 SD MET A 85 56.572 6.018 11.586 1.00 0.00 S ATOM 1297 CE MET A 85 57.028 4.399 10.918 1.00 0.00 C ATOM 0 H MET A 85 58.074 8.067 7.194 1.00 0.00 H new ATOM 0 HA MET A 85 55.386 8.561 8.355 1.00 0.00 H new ATOM 0 HB2 MET A 85 57.213 6.520 8.413 1.00 0.00 H new ATOM 0 HB3 MET A 85 57.840 7.441 9.765 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.120 7.470 10.318 1.00 0.00 H new ATOM 0 HG3 MET A 85 55.290 5.906 9.545 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.507 3.806 11.697 1.00 0.00 H new ATOM 0 HE2 MET A 85 56.133 3.884 10.569 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.719 4.530 10.085 1.00 0.00 H new ATOM 1307 N LYS A 86 57.807 10.529 9.074 1.00 0.00 N ATOM 1308 CA LYS A 86 58.191 11.725 9.903 1.00 0.00 C ATOM 1309 C LYS A 86 58.643 11.286 11.309 1.00 0.00 C ATOM 1310 O LYS A 86 58.734 10.107 11.599 1.00 0.00 O ATOM 1311 CB LYS A 86 56.936 12.613 9.972 1.00 0.00 C ATOM 1312 CG LYS A 86 56.917 13.575 8.779 1.00 0.00 C ATOM 1313 CD LYS A 86 56.363 12.855 7.543 1.00 0.00 C ATOM 1314 CE LYS A 86 54.886 13.217 7.344 1.00 0.00 C ATOM 1315 NZ LYS A 86 54.131 11.936 7.506 1.00 0.00 N ATOM 0 H LYS A 86 58.392 10.377 8.252 1.00 0.00 H new ATOM 0 HA LYS A 86 59.029 12.267 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 86 56.039 11.993 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 86 56.928 13.176 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 86 56.303 14.445 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 86 57.924 13.940 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 86 56.937 13.136 6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 86 56.469 11.777 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 86 54.562 13.958 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 86 54.718 13.649 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 53.171 12.048 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 54.622 11.176 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 54.075 11.691 8.515 1.00 0.00 H new ATOM 1329 N ASP A 87 58.941 12.221 12.177 1.00 0.00 N ATOM 1330 CA ASP A 87 59.399 11.846 13.554 1.00 0.00 C ATOM 1331 C ASP A 87 58.330 12.185 14.608 1.00 0.00 C ATOM 1332 O ASP A 87 57.232 12.598 14.286 1.00 0.00 O ATOM 1333 CB ASP A 87 60.690 12.650 13.782 1.00 0.00 C ATOM 1334 CG ASP A 87 60.380 14.144 13.918 1.00 0.00 C ATOM 1335 OD1 ASP A 87 59.969 14.740 12.936 1.00 0.00 O ATOM 1336 OD2 ASP A 87 60.571 14.664 15.002 1.00 0.00 O ATOM 0 H ASP A 87 58.888 13.223 11.995 1.00 0.00 H new ATOM 0 HA ASP A 87 59.572 10.774 13.646 1.00 0.00 H new ATOM 0 HB2 ASP A 87 61.192 12.294 14.682 1.00 0.00 H new ATOM 0 HB3 ASP A 87 61.376 12.490 12.950 1.00 0.00 H new ATOM 1341 N ASP A 88 58.647 11.991 15.864 1.00 0.00 N ATOM 1342 CA ASP A 88 57.659 12.276 16.955 1.00 0.00 C ATOM 1343 C ASP A 88 57.865 13.681 17.557 1.00 0.00 C ATOM 1344 O ASP A 88 56.944 14.262 18.100 1.00 0.00 O ATOM 1345 CB ASP A 88 57.918 11.188 18.010 1.00 0.00 C ATOM 1346 CG ASP A 88 59.271 11.425 18.692 1.00 0.00 C ATOM 1347 OD1 ASP A 88 60.284 11.171 18.061 1.00 0.00 O ATOM 1348 OD2 ASP A 88 59.269 11.860 19.831 1.00 0.00 O ATOM 0 H ASP A 88 59.552 11.646 16.184 1.00 0.00 H new ATOM 0 HA ASP A 88 56.634 12.262 16.583 1.00 0.00 H new ATOM 0 HB2 ASP A 88 57.121 11.195 18.754 1.00 0.00 H new ATOM 0 HB3 ASP A 88 57.907 10.205 17.540 1.00 0.00 H new ATOM 1353 N SER A 89 59.057 14.223 17.473 1.00 0.00 N ATOM 1354 CA SER A 89 59.309 15.586 18.053 1.00 0.00 C ATOM 1355 C SER A 89 58.670 16.687 17.188 1.00 0.00 C ATOM 1356 O SER A 89 58.443 17.763 17.715 1.00 0.00 O ATOM 1357 CB SER A 89 60.833 15.740 18.076 1.00 0.00 C ATOM 1358 OG SER A 89 61.363 15.032 19.192 1.00 0.00 O ATOM 1359 OXT SER A 89 58.418 16.439 16.018 1.00 0.00 O ATOM 0 H SER A 89 59.865 13.785 17.030 1.00 0.00 H new ATOM 0 HA SER A 89 58.871 15.683 19.046 1.00 0.00 H new ATOM 0 HB2 SER A 89 61.262 15.356 17.151 1.00 0.00 H new ATOM 0 HB3 SER A 89 61.102 16.794 18.139 1.00 0.00 H new ATOM 0 HG SER A 89 62.338 15.128 19.207 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 51.911 15.941 -11.577 1.00 0.00 N ATOM 1367 CA ARG B 144 52.216 14.486 -11.405 1.00 0.00 C ATOM 1368 C ARG B 144 51.506 13.942 -10.159 1.00 0.00 C ATOM 1369 O ARG B 144 51.467 14.586 -9.128 1.00 0.00 O ATOM 1370 CB ARG B 144 53.741 14.407 -11.245 1.00 0.00 C ATOM 1371 CG ARG B 144 54.335 13.545 -12.365 1.00 0.00 C ATOM 1372 CD ARG B 144 54.239 12.064 -11.984 1.00 0.00 C ATOM 1373 NE ARG B 144 55.165 11.362 -12.922 1.00 0.00 N ATOM 1374 CZ ARG B 144 54.688 10.645 -13.901 1.00 0.00 C ATOM 1375 NH1 ARG B 144 54.355 11.218 -15.023 1.00 0.00 N ATOM 1376 NH2 ARG B 144 54.548 9.358 -13.758 1.00 0.00 N ATOM 0 HA ARG B 144 51.872 13.889 -12.250 1.00 0.00 H new ATOM 0 HB2 ARG B 144 54.172 15.408 -11.276 1.00 0.00 H new ATOM 0 HB3 ARG B 144 53.993 13.982 -10.273 1.00 0.00 H new ATOM 0 HG2 ARG B 144 53.801 13.726 -13.298 1.00 0.00 H new ATOM 0 HG3 ARG B 144 55.376 13.820 -12.535 1.00 0.00 H new ATOM 0 HD2 ARG B 144 54.532 11.904 -10.946 1.00 0.00 H new ATOM 0 HD3 ARG B 144 53.218 11.695 -12.087 1.00 0.00 H new ATOM 0 HE ARG B 144 56.174 11.444 -12.796 1.00 0.00 H new ATOM 0 HH11 ARG B 144 54.468 12.226 -15.134 1.00 0.00 H new ATOM 0 HH12 ARG B 144 53.982 10.659 -15.790 1.00 0.00 H new ATOM 0 HH21 ARG B 144 54.812 8.911 -12.880 1.00 0.00 H new ATOM 0 HH22 ARG B 144 54.175 8.797 -14.524 1.00 0.00 H new ATOM 1392 N ARG B 145 50.939 12.766 -10.250 1.00 0.00 N ATOM 1393 CA ARG B 145 50.223 12.181 -9.076 1.00 0.00 C ATOM 1394 C ARG B 145 50.948 10.916 -8.583 1.00 0.00 C ATOM 1395 O ARG B 145 50.374 9.845 -8.516 1.00 0.00 O ATOM 1396 CB ARG B 145 48.825 11.843 -9.607 1.00 0.00 C ATOM 1397 CG ARG B 145 47.810 11.901 -8.462 1.00 0.00 C ATOM 1398 CD ARG B 145 46.934 13.149 -8.615 1.00 0.00 C ATOM 1399 NE ARG B 145 45.692 12.667 -9.287 1.00 0.00 N ATOM 1400 CZ ARG B 145 44.538 12.775 -8.691 1.00 0.00 C ATOM 1401 NH1 ARG B 145 44.128 11.828 -7.895 1.00 0.00 N ATOM 1402 NH2 ARG B 145 43.799 13.829 -8.890 1.00 0.00 N ATOM 0 H ARG B 145 50.941 12.185 -11.088 1.00 0.00 H new ATOM 0 HA ARG B 145 50.183 12.862 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG B 145 48.544 12.546 -10.391 1.00 0.00 H new ATOM 0 HB3 ARG B 145 48.826 10.849 -10.055 1.00 0.00 H new ATOM 0 HG2 ARG B 145 47.189 11.005 -8.467 1.00 0.00 H new ATOM 0 HG3 ARG B 145 48.329 11.923 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG B 145 46.711 13.596 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG B 145 47.435 13.912 -9.211 1.00 0.00 H new ATOM 0 HE ARG B 145 45.746 12.251 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG B 145 44.710 11.005 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG B 145 43.225 11.910 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG B 145 44.124 14.569 -9.512 1.00 0.00 H new ATOM 0 HH22 ARG B 145 42.896 13.914 -8.424 1.00 0.00 H new ATOM 1416 N VAL B 146 52.207 11.035 -8.237 1.00 0.00 N ATOM 1417 CA VAL B 146 52.975 9.844 -7.749 1.00 0.00 C ATOM 1418 C VAL B 146 53.523 10.110 -6.338 1.00 0.00 C ATOM 1419 O VAL B 146 54.495 10.821 -6.159 1.00 0.00 O ATOM 1420 CB VAL B 146 54.114 9.658 -8.762 1.00 0.00 C ATOM 1421 CG1 VAL B 146 55.063 8.557 -8.281 1.00 0.00 C ATOM 1422 CG2 VAL B 146 53.529 9.255 -10.120 1.00 0.00 C ATOM 0 H VAL B 146 52.737 11.906 -8.271 1.00 0.00 H new ATOM 0 HA VAL B 146 52.356 8.950 -7.678 1.00 0.00 H new ATOM 0 HB VAL B 146 54.662 10.595 -8.858 1.00 0.00 H new ATOM 0 HG11 VAL B 146 55.869 8.430 -9.004 1.00 0.00 H new ATOM 0 HG12 VAL B 146 55.483 8.835 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL B 146 54.514 7.621 -8.182 1.00 0.00 H new ATOM 0 HG21 VAL B 146 54.337 9.123 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL B 146 52.979 8.320 -10.016 1.00 0.00 H new ATOM 0 HG23 VAL B 146 52.854 10.036 -10.472 1.00 0.00 H new ATOM 1432 N ARG B 147 52.897 9.541 -5.337 1.00 0.00 N ATOM 1433 CA ARG B 147 53.361 9.748 -3.929 1.00 0.00 C ATOM 1434 C ARG B 147 52.719 8.702 -3.007 1.00 0.00 C ATOM 1435 O ARG B 147 51.539 8.420 -3.104 1.00 0.00 O ATOM 1436 CB ARG B 147 52.898 11.162 -3.558 1.00 0.00 C ATOM 1437 CG ARG B 147 53.267 11.470 -2.099 1.00 0.00 C ATOM 1438 CD ARG B 147 54.791 11.430 -1.920 1.00 0.00 C ATOM 1439 NE ARG B 147 55.325 12.471 -2.845 1.00 0.00 N ATOM 1440 CZ ARG B 147 56.492 12.311 -3.401 1.00 0.00 C ATOM 1441 NH1 ARG B 147 57.573 12.492 -2.700 1.00 0.00 N ATOM 1442 NH2 ARG B 147 56.572 11.968 -4.654 1.00 0.00 N ATOM 0 H ARG B 147 52.080 8.939 -5.435 1.00 0.00 H new ATOM 0 HA ARG B 147 54.441 9.641 -3.826 1.00 0.00 H new ATOM 0 HB2 ARG B 147 53.363 11.891 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG B 147 51.820 11.248 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG B 147 52.886 12.452 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG B 147 52.796 10.744 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG B 147 55.071 11.640 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG B 147 55.190 10.445 -2.164 1.00 0.00 H new ATOM 0 HE ARG B 147 54.776 13.308 -3.042 1.00 0.00 H new ATOM 0 HH11 ARG B 147 57.505 12.758 -1.718 1.00 0.00 H new ATOM 0 HH12 ARG B 147 58.488 12.367 -3.133 1.00 0.00 H new ATOM 0 HH21 ARG B 147 55.722 11.825 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG B 147 57.485 11.842 -5.091 1.00 0.00 H new ATOM 1456 N ILE B 148 53.490 8.121 -2.123 1.00 0.00 N ATOM 1457 CA ILE B 148 52.929 7.082 -1.204 1.00 0.00 C ATOM 1458 C ILE B 148 53.349 7.359 0.246 1.00 0.00 C ATOM 1459 O ILE B 148 54.460 7.774 0.516 1.00 0.00 O ATOM 1460 CB ILE B 148 53.521 5.755 -1.708 1.00 0.00 C ATOM 1461 CG1 ILE B 148 52.825 5.354 -3.015 1.00 0.00 C ATOM 1462 CG2 ILE B 148 53.311 4.649 -0.666 1.00 0.00 C ATOM 1463 CD1 ILE B 148 53.684 5.776 -4.211 1.00 0.00 C ATOM 0 H ILE B 148 54.482 8.320 -1.997 1.00 0.00 H new ATOM 0 HA ILE B 148 51.839 7.069 -1.207 1.00 0.00 H new ATOM 0 HB ILE B 148 54.590 5.886 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE B 148 52.662 4.276 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE B 148 51.844 5.826 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE B 148 53.735 3.715 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE B 148 53.804 4.928 0.265 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.244 4.517 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE B 148 53.185 5.489 -5.137 1.00 0.00 H new ATOM 0 HD12 ILE B 148 53.825 6.857 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE B 148 54.654 5.283 -4.154 1.00 0.00 H new ATOM 1475 N SER B 149 52.462 7.117 1.179 1.00 0.00 N ATOM 1476 CA SER B 149 52.789 7.344 2.622 1.00 0.00 C ATOM 1477 C SER B 149 52.832 5.996 3.358 1.00 0.00 C ATOM 1478 O SER B 149 52.256 5.022 2.910 1.00 0.00 O ATOM 1479 CB SER B 149 51.652 8.225 3.152 1.00 0.00 C ATOM 1480 OG SER B 149 51.525 8.048 4.558 1.00 0.00 O ATOM 0 H SER B 149 51.519 6.770 1.002 1.00 0.00 H new ATOM 0 HA SER B 149 53.760 7.817 2.767 1.00 0.00 H new ATOM 0 HB2 SER B 149 51.853 9.272 2.924 1.00 0.00 H new ATOM 0 HB3 SER B 149 50.716 7.965 2.657 1.00 0.00 H new ATOM 0 HG SER B 149 50.799 8.613 4.895 1.00 0.00 H new ATOM 1486 N ALA B 150 53.510 5.930 4.479 1.00 0.00 N ATOM 1487 CA ALA B 150 53.589 4.639 5.237 1.00 0.00 C ATOM 1488 C ALA B 150 52.182 4.140 5.600 1.00 0.00 C ATOM 1489 O ALA B 150 51.807 3.031 5.268 1.00 0.00 O ATOM 1490 CB ALA B 150 54.392 4.956 6.503 1.00 0.00 C ATOM 0 H ALA B 150 54.011 6.711 4.902 1.00 0.00 H new ATOM 0 HA ALA B 150 54.060 3.852 4.647 1.00 0.00 H new ATOM 0 HB1 ALA B 150 54.490 4.054 7.107 1.00 0.00 H new ATOM 0 HB2 ALA B 150 55.383 5.315 6.225 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.876 5.724 7.079 1.00 0.00 H new ATOM 1496 N ASP B 151 51.400 4.952 6.270 1.00 0.00 N ATOM 1497 CA ASP B 151 50.016 4.525 6.648 1.00 0.00 C ATOM 1498 C ASP B 151 49.150 4.326 5.393 1.00 0.00 C ATOM 1499 O ASP B 151 48.390 3.381 5.301 1.00 0.00 O ATOM 1500 CB ASP B 151 49.471 5.668 7.510 1.00 0.00 C ATOM 1501 CG ASP B 151 48.090 5.293 8.054 1.00 0.00 C ATOM 1502 OD1 ASP B 151 48.037 4.714 9.126 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.111 5.592 7.390 1.00 0.00 O ATOM 0 H ASP B 151 51.660 5.891 6.571 1.00 0.00 H new ATOM 0 HA ASP B 151 50.010 3.574 7.181 1.00 0.00 H new ATOM 0 HB2 ASP B 151 50.154 5.872 8.335 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.404 6.581 6.919 1.00 0.00 H new ATOM 1508 N ALA B 152 49.264 5.209 4.428 1.00 0.00 N ATOM 1509 CA ALA B 152 48.450 5.076 3.176 1.00 0.00 C ATOM 1510 C ALA B 152 48.756 3.748 2.470 1.00 0.00 C ATOM 1511 O ALA B 152 47.860 2.984 2.160 1.00 0.00 O ATOM 1512 CB ALA B 152 48.868 6.259 2.300 1.00 0.00 C ATOM 0 H ALA B 152 49.886 6.017 4.453 1.00 0.00 H new ATOM 0 HA ALA B 152 47.380 5.080 3.384 1.00 0.00 H new ATOM 0 HB1 ALA B 152 48.314 6.231 1.362 1.00 0.00 H new ATOM 0 HB2 ALA B 152 48.652 7.192 2.821 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.936 6.198 2.092 1.00 0.00 H new ATOM 1518 N MET B 153 50.012 3.463 2.219 1.00 0.00 N ATOM 1519 CA MET B 153 50.368 2.179 1.537 1.00 0.00 C ATOM 1520 C MET B 153 49.962 0.984 2.412 1.00 0.00 C ATOM 1521 O MET B 153 49.454 -0.003 1.920 1.00 0.00 O ATOM 1522 CB MET B 153 51.887 2.228 1.348 1.00 0.00 C ATOM 1523 CG MET B 153 52.297 1.271 0.223 1.00 0.00 C ATOM 1524 SD MET B 153 51.704 1.907 -1.366 1.00 0.00 S ATOM 1525 CE MET B 153 53.095 1.333 -2.375 1.00 0.00 C ATOM 0 H MET B 153 50.803 4.062 2.456 1.00 0.00 H new ATOM 0 HA MET B 153 49.851 2.061 0.585 1.00 0.00 H new ATOM 0 HB2 MET B 153 52.201 3.244 1.107 1.00 0.00 H new ATOM 0 HB3 MET B 153 52.388 1.951 2.275 1.00 0.00 H new ATOM 0 HG2 MET B 153 53.381 1.164 0.201 1.00 0.00 H new ATOM 0 HG3 MET B 153 51.882 0.280 0.407 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.601 2.191 -2.818 1.00 0.00 H new ATOM 0 HE2 MET B 153 53.796 0.782 -1.748 1.00 0.00 H new ATOM 0 HE3 MET B 153 52.726 0.681 -3.166 1.00 0.00 H new ATOM 1535 N MET B 154 50.169 1.073 3.706 1.00 0.00 N ATOM 1536 CA MET B 154 49.780 -0.056 4.616 1.00 0.00 C ATOM 1537 C MET B 154 48.260 -0.265 4.578 1.00 0.00 C ATOM 1538 O MET B 154 47.783 -1.383 4.500 1.00 0.00 O ATOM 1539 CB MET B 154 50.222 0.379 6.017 1.00 0.00 C ATOM 1540 CG MET B 154 51.518 -0.342 6.393 1.00 0.00 C ATOM 1541 SD MET B 154 51.500 -0.726 8.161 1.00 0.00 S ATOM 1542 CE MET B 154 50.619 -2.303 8.040 1.00 0.00 C ATOM 0 H MET B 154 50.590 1.877 4.172 1.00 0.00 H new ATOM 0 HA MET B 154 50.243 -0.997 4.319 1.00 0.00 H new ATOM 0 HB2 MET B 154 50.374 1.458 6.043 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.442 0.149 6.743 1.00 0.00 H new ATOM 0 HG2 MET B 154 51.619 -1.258 5.812 1.00 0.00 H new ATOM 0 HG3 MET B 154 52.378 0.284 6.154 1.00 0.00 H new ATOM 0 HE1 MET B 154 50.011 -2.450 8.933 1.00 0.00 H new ATOM 0 HE2 MET B 154 49.975 -2.294 7.161 1.00 0.00 H new ATOM 0 HE3 MET B 154 51.339 -3.116 7.954 1.00 0.00 H new ATOM 1552 N GLN B 155 47.502 0.805 4.623 1.00 0.00 N ATOM 1553 CA GLN B 155 46.009 0.687 4.579 1.00 0.00 C ATOM 1554 C GLN B 155 45.573 0.008 3.273 1.00 0.00 C ATOM 1555 O GLN B 155 44.680 -0.817 3.262 1.00 0.00 O ATOM 1556 CB GLN B 155 45.494 2.130 4.639 1.00 0.00 C ATOM 1557 CG GLN B 155 44.058 2.146 5.173 1.00 0.00 C ATOM 1558 CD GLN B 155 44.059 2.562 6.647 1.00 0.00 C ATOM 1559 OE1 GLN B 155 43.780 1.762 7.516 1.00 0.00 O ATOM 1560 NE2 GLN B 155 44.364 3.788 6.968 1.00 0.00 N ATOM 0 H GLN B 155 47.855 1.760 4.689 1.00 0.00 H new ATOM 0 HA GLN B 155 45.615 0.083 5.397 1.00 0.00 H new ATOM 0 HB2 GLN B 155 46.138 2.729 5.283 1.00 0.00 H new ATOM 0 HB3 GLN B 155 45.528 2.580 3.647 1.00 0.00 H new ATOM 0 HG2 GLN B 155 43.451 2.839 4.590 1.00 0.00 H new ATOM 0 HG3 GLN B 155 43.608 1.159 5.064 1.00 0.00 H new ATOM 0 HE21 GLN B 155 44.599 4.462 6.240 1.00 0.00 H new ATOM 0 HE22 GLN B 155 44.368 4.073 7.947 1.00 0.00 H new ATOM 1569 N ALA B 156 46.209 0.342 2.176 1.00 0.00 N ATOM 1570 CA ALA B 156 45.847 -0.294 0.872 1.00 0.00 C ATOM 1571 C ALA B 156 46.457 -1.703 0.777 1.00 0.00 C ATOM 1572 O ALA B 156 45.956 -2.553 0.067 1.00 0.00 O ATOM 1573 CB ALA B 156 46.443 0.624 -0.199 1.00 0.00 C ATOM 0 H ALA B 156 46.963 1.027 2.128 1.00 0.00 H new ATOM 0 HA ALA B 156 44.769 -0.408 0.756 1.00 0.00 H new ATOM 0 HB1 ALA B 156 46.219 0.223 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.011 1.621 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.523 0.683 -0.068 1.00 0.00 H new ATOM 1579 N LEU B 157 47.533 -1.954 1.489 1.00 0.00 N ATOM 1580 CA LEU B 157 48.175 -3.306 1.442 1.00 0.00 C ATOM 1581 C LEU B 157 47.282 -4.350 2.130 1.00 0.00 C ATOM 1582 O LEU B 157 46.999 -5.391 1.572 1.00 0.00 O ATOM 1583 CB LEU B 157 49.509 -3.145 2.190 1.00 0.00 C ATOM 1584 CG LEU B 157 50.559 -4.122 1.638 1.00 0.00 C ATOM 1585 CD1 LEU B 157 50.173 -5.555 1.999 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.647 -3.989 0.115 1.00 0.00 C ATOM 0 H LEU B 157 47.993 -1.279 2.100 1.00 0.00 H new ATOM 0 HA LEU B 157 48.326 -3.653 0.420 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.868 -2.121 2.088 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.360 -3.326 3.254 1.00 0.00 H new ATOM 0 HG LEU B 157 51.528 -3.884 2.078 1.00 0.00 H new ATOM 0 HD11 LEU B 157 50.921 -6.243 1.605 1.00 0.00 H new ATOM 0 HD12 LEU B 157 50.122 -5.656 3.083 1.00 0.00 H new ATOM 0 HD13 LEU B 157 49.200 -5.790 1.567 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.393 -4.685 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU B 157 49.677 -4.217 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU B 157 50.933 -2.970 -0.145 1.00 0.00 H new ATOM 1598 N LEU B 158 46.831 -4.078 3.331 1.00 0.00 N ATOM 1599 CA LEU B 158 45.952 -5.057 4.044 1.00 0.00 C ATOM 1600 C LEU B 158 44.562 -4.446 4.286 1.00 0.00 C ATOM 1601 O LEU B 158 44.016 -4.522 5.371 1.00 0.00 O ATOM 1602 CB LEU B 158 46.666 -5.341 5.372 1.00 0.00 C ATOM 1603 CG LEU B 158 47.765 -6.386 5.154 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.007 -5.999 5.959 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.267 -7.758 5.616 1.00 0.00 C ATOM 0 H LEU B 158 47.033 -3.222 3.847 1.00 0.00 H new ATOM 0 HA LEU B 158 45.795 -5.969 3.469 1.00 0.00 H new ATOM 0 HB2 LEU B 158 47.098 -4.422 5.768 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.950 -5.701 6.111 1.00 0.00 H new ATOM 0 HG LEU B 158 48.017 -6.428 4.094 1.00 0.00 H new ATOM 0 HD11 LEU B 158 49.788 -6.743 5.803 1.00 0.00 H new ATOM 0 HD12 LEU B 158 49.364 -5.023 5.630 1.00 0.00 H new ATOM 0 HD13 LEU B 158 48.755 -5.954 7.018 1.00 0.00 H new ATOM 0 HD21 LEU B 158 48.050 -8.500 5.460 1.00 0.00 H new ATOM 0 HD22 LEU B 158 47.013 -7.715 6.675 1.00 0.00 H new ATOM 0 HD23 LEU B 158 46.383 -8.037 5.042 1.00 0.00 H new ATOM 1617 N GLY B 159 43.986 -3.841 3.277 1.00 0.00 N ATOM 1618 CA GLY B 159 42.634 -3.222 3.438 1.00 0.00 C ATOM 1619 C GLY B 159 41.942 -3.122 2.078 1.00 0.00 C ATOM 1620 O GLY B 159 40.860 -3.642 1.887 1.00 0.00 O ATOM 0 H GLY B 159 44.395 -3.749 2.347 1.00 0.00 H new ATOM 0 HA2 GLY B 159 42.030 -3.820 4.120 1.00 0.00 H new ATOM 0 HA3 GLY B 159 42.729 -2.231 3.881 1.00 0.00 H new ATOM 1624 N ALA B 160 42.559 -2.459 1.131 1.00 0.00 N ATOM 1625 CA ALA B 160 41.938 -2.322 -0.223 1.00 0.00 C ATOM 1626 C ALA B 160 41.874 -3.687 -0.923 1.00 0.00 C ATOM 1627 O ALA B 160 42.838 -4.136 -1.511 1.00 0.00 O ATOM 1628 CB ALA B 160 42.855 -1.363 -0.988 1.00 0.00 C ATOM 0 H ALA B 160 43.467 -2.006 1.237 1.00 0.00 H new ATOM 0 HA ALA B 160 40.915 -1.949 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA B 160 42.465 -1.212 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA B 160 42.897 -0.406 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA B 160 43.857 -1.788 -1.048 1.00 0.00 H new ATOM 1634 N ARG B 161 40.738 -4.346 -0.860 1.00 0.00 N ATOM 1635 CA ARG B 161 40.588 -5.687 -1.517 1.00 0.00 C ATOM 1636 C ARG B 161 41.731 -6.630 -1.104 1.00 0.00 C ATOM 1637 O ARG B 161 42.325 -7.303 -1.926 1.00 0.00 O ATOM 1638 CB ARG B 161 40.629 -5.396 -3.023 1.00 0.00 C ATOM 1639 CG ARG B 161 39.382 -5.975 -3.693 1.00 0.00 C ATOM 1640 CD ARG B 161 38.175 -5.084 -3.385 1.00 0.00 C ATOM 1641 NE ARG B 161 37.943 -4.306 -4.635 1.00 0.00 N ATOM 1642 CZ ARG B 161 36.991 -4.650 -5.451 1.00 0.00 C ATOM 1643 NH1 ARG B 161 35.758 -4.309 -5.196 1.00 0.00 N ATOM 1644 NH2 ARG B 161 37.269 -5.347 -6.515 1.00 0.00 N ATOM 0 H ARG B 161 39.904 -4.010 -0.379 1.00 0.00 H new ATOM 0 HA ARG B 161 39.664 -6.186 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG B 161 40.680 -4.321 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG B 161 41.526 -5.832 -3.463 1.00 0.00 H new ATOM 0 HG2 ARG B 161 39.533 -6.041 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG B 161 39.201 -6.988 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG B 161 37.301 -5.680 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG B 161 38.376 -4.424 -2.541 1.00 0.00 H new ATOM 0 HE ARG B 161 38.532 -3.502 -4.851 1.00 0.00 H new ATOM 0 HH11 ARG B 161 35.541 -3.772 -4.356 1.00 0.00 H new ATOM 0 HH12 ARG B 161 35.011 -4.579 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG B 161 38.232 -5.622 -6.707 1.00 0.00 H new ATOM 0 HH22 ARG B 161 36.524 -5.618 -7.156 1.00 0.00 H new ATOM 1658 N ALA B 162 42.040 -6.682 0.167 1.00 0.00 N ATOM 1659 CA ALA B 162 43.142 -7.576 0.639 1.00 0.00 C ATOM 1660 C ALA B 162 42.718 -8.320 1.913 1.00 0.00 C ATOM 1661 O ALA B 162 42.848 -9.526 2.006 1.00 0.00 O ATOM 1662 CB ALA B 162 44.315 -6.633 0.920 1.00 0.00 C ATOM 0 H ALA B 162 41.577 -6.144 0.899 1.00 0.00 H new ATOM 0 HA ALA B 162 43.401 -8.341 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA B 162 45.170 -7.210 1.273 1.00 0.00 H new ATOM 0 HB2 ALA B 162 44.586 -6.106 0.005 1.00 0.00 H new ATOM 0 HB3 ALA B 162 44.026 -5.910 1.683 1.00 0.00 H new ATOM 1668 N LYS B 163 42.207 -7.611 2.889 1.00 0.00 N ATOM 1669 CA LYS B 163 41.766 -8.271 4.157 1.00 0.00 C ATOM 1670 C LYS B 163 40.311 -7.900 4.475 1.00 0.00 C ATOM 1671 O LYS B 163 39.954 -6.747 4.284 1.00 0.00 O ATOM 1672 CB LYS B 163 42.710 -7.728 5.234 1.00 0.00 C ATOM 1673 CG LYS B 163 42.394 -8.392 6.581 1.00 0.00 C ATOM 1674 CD LYS B 163 42.014 -7.320 7.610 1.00 0.00 C ATOM 1675 CE LYS B 163 40.487 -7.254 7.751 1.00 0.00 C ATOM 1676 NZ LYS B 163 40.082 -6.008 7.037 1.00 0.00 N ATOM 1677 OXT LYS B 163 39.582 -8.772 4.917 1.00 0.00 O ATOM 0 H LYS B 163 42.076 -6.600 2.862 1.00 0.00 H new ATOM 0 HA LYS B 163 41.805 -9.358 4.091 1.00 0.00 H new ATOM 0 HB2 LYS B 163 43.746 -7.923 4.955 1.00 0.00 H new ATOM 0 HB3 LYS B 163 42.600 -6.647 5.316 1.00 0.00 H new ATOM 0 HG2 LYS B 163 41.576 -9.103 6.464 1.00 0.00 H new ATOM 0 HG3 LYS B 163 43.259 -8.956 6.931 1.00 0.00 H new ATOM 0 HD2 LYS B 163 42.468 -7.551 8.574 1.00 0.00 H new ATOM 0 HD3 LYS B 163 42.402 -6.350 7.299 1.00 0.00 H new ATOM 0 HE2 LYS B 163 40.013 -8.132 7.312 1.00 0.00 H new ATOM 0 HE3 LYS B 163 40.189 -7.222 8.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 39.056 -5.870 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 40.582 -5.194 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 40.326 -6.091 6.029 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.009 -4.293 -1.610 1.00 0.00 CA HETATM 1693 OAA SXK A 91 59.771 11.305 -1.320 1.00 20.00 O HETATM 1694 OAB SXK A 91 60.015 9.423 -0.167 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.225 1.156 -0.455 1.00 20.00 C HETATM 1696 CAF SXK A 91 57.095 6.568 -2.986 1.00 20.00 C HETATM 1697 CAG SXK A 91 58.165 6.556 -0.764 1.00 20.00 C HETATM 1698 CAH SXK A 91 56.889 5.173 -2.899 1.00 20.00 C HETATM 1699 CAI SXK A 91 57.965 5.163 -0.669 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.411 2.558 -0.551 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.452 0.817 -2.546 1.00 20.00 C HETATM 1702 CAL SXK A 91 59.162 9.231 -2.376 1.00 20.00 C HETATM 1703 OAM SXK A 91 57.879 8.607 -2.127 1.00 20.00 O HETATM 1704 CAN SXK A 91 59.692 10.057 -1.192 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.745 0.308 -1.450 1.00 20.00 C HETATM 1706 CAP SXK A 91 57.733 7.257 -1.915 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.644 2.216 -2.651 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.327 4.469 -1.738 1.00 20.00 C HETATM 1709 CAS SXK A 91 57.124 3.080 -1.649 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.558 -1.035 -1.341 1.00 20.00 F HETATM 1711 FDD SXK A 91 58.337 2.690 -3.732 1.00 20.00 F HETATM 0 HOAB SXK A 91 59.253 9.387 0.449 1.00 20.00 H new HETATM 0 HALA SXK A 91 59.890 8.458 -2.622 1.00 20.00 H new HETATM 0 HAL SXK A 91 59.077 9.878 -3.249 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.849 0.146 -3.308 1.00 20.00 H new HETATM 0 HAJ SXK A 91 56.008 3.223 0.213 1.00 20.00 H new HETATM 0 HAI SXK A 91 58.296 4.621 0.217 1.00 20.00 H new HETATM 0 HAH SXK A 91 56.399 4.639 -3.713 1.00 20.00 H new HETATM 0 HAG SXK A 91 58.653 7.093 0.050 1.00 20.00 H new HETATM 0 HAF SXK A 91 56.767 7.115 -3.870 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.679 0.735 0.389 1.00 20.00 H new