USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 ASN : amide:sc= -13.5! C(o=-24!,f=-24!) USER MOD Set 1.2: A 68 SER OG : rot 160:sc= -2 USER MOD Set 1.3: A 86 THR OG1 : rot -78:sc= -8.02! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.488 F(o=-1.8!,f=-0.49) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -80:sc= 0.801 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00792 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -104:sc= 1.1 USER MOD Single : A 29 CYS SG : rot 98:sc= -0.236 USER MOD Single : A 33 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-5.9!) USER MOD Single : A 38 THR OG1 : rot -94:sc= -7.01! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00428 K(o=-0.0043,f=-1.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 2:sc= -1.03 USER MOD Single : A 79 ASN :FLIP amide:sc= -9.41! C(o=-13!,f=-9.4!) USER MOD Single : A 88 TYR OH : rot -150:sc= -2! USER MOD Single : A 90 SER OG : rot -76:sc= 0.831 USER MOD Single : A 91 LYS NZ :NH3+ 140:sc= -2.04 (180deg=-3.27!) USER MOD Single : A 95 THR OG1 : rot -116:sc= -0.925! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 104 THR OG1 : rot -12:sc= 1.08 USER MOD Single : A 105 LYS NZ :NH3+ 144:sc= -9.95! (180deg=-13.4!) USER MOD Single : A 110 SER OG : rot 180:sc= -2.81! USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= -6.61! USER MOD Single : A 121 LYS NZ :NH3+ 136:sc= -0.89 (180deg=-2.73!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.149 5.227 4.814 1.00 0.00 N ATOM 2 CA GLY A 1 21.633 6.610 5.021 1.00 0.00 C ATOM 3 C GLY A 1 20.595 6.938 3.947 1.00 0.00 C ATOM 4 O GLY A 1 20.773 7.840 3.153 1.00 0.00 O ATOM 0 H1 GLY A 1 22.855 5.007 5.546 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.362 4.550 4.877 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.591 5.158 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.186 6.698 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.454 7.325 4.978 1.00 0.00 H new ATOM 10 N SER A 2 19.510 6.214 3.914 1.00 0.00 N ATOM 11 CA SER A 2 18.464 6.490 2.887 1.00 0.00 C ATOM 12 C SER A 2 17.656 7.732 3.274 1.00 0.00 C ATOM 13 O SER A 2 16.451 7.681 3.415 1.00 0.00 O ATOM 14 CB SER A 2 17.574 5.251 2.886 1.00 0.00 C ATOM 15 OG SER A 2 17.587 4.667 1.589 1.00 0.00 O ATOM 0 H SER A 2 19.302 5.445 4.551 1.00 0.00 H new ATOM 0 HA SER A 2 18.892 6.685 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.929 4.533 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.556 5.520 3.167 1.00 0.00 H new ATOM 0 HG SER A 2 17.018 3.869 1.584 1.00 0.00 H new ATOM 21 N HIS A 3 18.311 8.847 3.443 1.00 0.00 N ATOM 22 CA HIS A 3 17.581 10.091 3.817 1.00 0.00 C ATOM 23 C HIS A 3 16.813 10.634 2.606 1.00 0.00 C ATOM 24 O HIS A 3 15.733 10.175 2.293 1.00 0.00 O ATOM 25 CB HIS A 3 18.668 11.071 4.256 1.00 0.00 C ATOM 26 CG HIS A 3 19.346 10.551 5.494 1.00 0.00 C ATOM 27 ND1 HIS A 3 19.547 9.276 5.967 1.00 0.00 N flip ATOM 28 CD2 HIS A 3 19.923 11.396 6.429 1.00 0.00 C flip ATOM 29 CE1 HIS A 3 20.236 9.328 7.175 1.00 0.00 C flip ATOM 30 NE2 HIS A 3 20.438 10.628 7.407 1.00 0.00 N flip ATOM 0 H HIS A 3 19.320 8.951 3.338 1.00 0.00 H new ATOM 0 HA HIS A 3 16.848 9.923 4.606 1.00 0.00 H new ATOM 0 HB2 HIS A 3 19.398 11.202 3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 3 18.231 12.050 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 3 19.954 12.475 6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 3 20.542 8.496 7.792 1.00 0.00 H new ATOM 0 HE2 HIS A 3 20.924 10.994 8.226 1.00 0.00 H new ATOM 38 N MET A 4 17.357 11.608 1.923 1.00 0.00 N ATOM 39 CA MET A 4 16.653 12.174 0.737 1.00 0.00 C ATOM 40 C MET A 4 15.161 12.349 1.035 1.00 0.00 C ATOM 41 O MET A 4 14.341 12.370 0.139 1.00 0.00 O ATOM 42 CB MET A 4 16.860 11.144 -0.377 1.00 0.00 C ATOM 43 CG MET A 4 16.390 11.729 -1.711 1.00 0.00 C ATOM 44 SD MET A 4 17.783 12.531 -2.544 1.00 0.00 S ATOM 45 CE MET A 4 17.214 12.273 -4.243 1.00 0.00 C ATOM 0 H MET A 4 18.258 12.035 2.136 1.00 0.00 H new ATOM 0 HA MET A 4 17.037 13.156 0.462 1.00 0.00 H new ATOM 0 HB2 MET A 4 17.913 10.868 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 4 16.305 10.233 -0.152 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.981 10.940 -2.342 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.590 12.450 -1.542 1.00 0.00 H new ATOM 0 HE1 MET A 4 17.938 12.699 -4.938 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.112 11.205 -4.434 1.00 0.00 H new ATOM 0 HE3 MET A 4 16.249 12.760 -4.381 1.00 0.00 H new ATOM 55 N THR A 5 14.797 12.481 2.282 1.00 0.00 N ATOM 56 CA THR A 5 13.357 12.660 2.607 1.00 0.00 C ATOM 57 C THR A 5 13.153 13.828 3.556 1.00 0.00 C ATOM 58 O THR A 5 13.974 14.132 4.398 1.00 0.00 O ATOM 59 CB THR A 5 12.899 11.369 3.289 1.00 0.00 C ATOM 60 OG1 THR A 5 13.896 10.943 4.208 1.00 0.00 O ATOM 61 CG2 THR A 5 12.671 10.284 2.235 1.00 0.00 C ATOM 0 H THR A 5 15.430 12.473 3.082 1.00 0.00 H new ATOM 0 HA THR A 5 12.788 12.867 1.701 1.00 0.00 H new ATOM 0 HB THR A 5 11.966 11.550 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.613 10.484 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.345 9.366 2.723 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.905 10.614 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.601 10.099 1.697 1.00 0.00 H new ATOM 69 N GLU A 6 12.026 14.439 3.439 1.00 0.00 N ATOM 70 CA GLU A 6 11.654 15.561 4.329 1.00 0.00 C ATOM 71 C GLU A 6 10.176 15.368 4.652 1.00 0.00 C ATOM 72 O GLU A 6 9.450 16.288 4.970 1.00 0.00 O ATOM 73 CB GLU A 6 11.898 16.821 3.502 1.00 0.00 C ATOM 74 CG GLU A 6 11.077 16.755 2.211 1.00 0.00 C ATOM 75 CD GLU A 6 9.986 17.827 2.240 1.00 0.00 C ATOM 76 OE1 GLU A 6 9.295 17.915 3.241 1.00 0.00 O ATOM 77 OE2 GLU A 6 9.860 18.543 1.259 1.00 0.00 O ATOM 0 H GLU A 6 11.320 14.203 2.741 1.00 0.00 H new ATOM 0 HA GLU A 6 12.213 15.621 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.621 17.705 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.958 16.914 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.725 16.905 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.628 15.768 2.104 1.00 0.00 H new ATOM 84 N ARG A 7 9.743 14.136 4.525 1.00 0.00 N ATOM 85 CA ARG A 7 8.324 13.767 4.763 1.00 0.00 C ATOM 86 C ARG A 7 8.254 12.228 4.858 1.00 0.00 C ATOM 87 O ARG A 7 8.601 11.528 3.927 1.00 0.00 O ATOM 88 CB ARG A 7 7.543 14.301 3.531 1.00 0.00 C ATOM 89 CG ARG A 7 8.499 14.884 2.475 1.00 0.00 C ATOM 90 CD ARG A 7 7.781 15.022 1.129 1.00 0.00 C ATOM 91 NE ARG A 7 6.715 16.036 1.360 1.00 0.00 N ATOM 92 CZ ARG A 7 6.672 17.114 0.626 1.00 0.00 C ATOM 93 NH1 ARG A 7 6.729 17.021 -0.675 1.00 0.00 N ATOM 94 NH2 ARG A 7 6.575 18.285 1.192 1.00 0.00 N ATOM 0 H ARG A 7 10.339 13.352 4.258 1.00 0.00 H new ATOM 0 HA ARG A 7 7.906 14.183 5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.959 13.494 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.837 15.068 3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.864 15.858 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.370 14.238 2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.468 15.344 0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.357 14.070 0.809 1.00 0.00 H new ATOM 0 HE ARG A 7 6.019 15.888 2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.807 16.106 -1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.695 17.864 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.533 18.358 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.541 19.128 0.618 1.00 0.00 H new ATOM 108 N ARG A 8 7.861 11.701 5.990 1.00 0.00 N ATOM 109 CA ARG A 8 7.821 10.204 6.173 1.00 0.00 C ATOM 110 C ARG A 8 6.426 9.572 5.909 1.00 0.00 C ATOM 111 O ARG A 8 6.331 8.530 5.291 1.00 0.00 O ATOM 112 CB ARG A 8 8.208 9.949 7.642 1.00 0.00 C ATOM 113 CG ARG A 8 9.078 11.083 8.204 1.00 0.00 C ATOM 114 CD ARG A 8 10.261 11.344 7.270 1.00 0.00 C ATOM 115 NE ARG A 8 11.461 11.006 8.082 1.00 0.00 N ATOM 116 CZ ARG A 8 12.262 11.953 8.485 1.00 0.00 C ATOM 117 NH1 ARG A 8 11.780 12.991 9.114 1.00 0.00 N ATOM 118 NH2 ARG A 8 13.543 11.865 8.255 1.00 0.00 N ATOM 0 H ARG A 8 7.563 12.240 6.803 1.00 0.00 H new ATOM 0 HA ARG A 8 8.497 9.746 5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.305 9.850 8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.747 9.005 7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.483 11.990 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.440 10.817 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.202 10.727 6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.285 12.383 6.941 1.00 0.00 H new ATOM 0 HE ARG A 8 11.657 10.035 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.778 13.061 9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.406 13.732 9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.918 11.056 7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.170 12.605 8.570 1.00 0.00 H new ATOM 132 N LEU A 9 5.356 10.151 6.405 1.00 0.00 N ATOM 133 CA LEU A 9 3.991 9.530 6.215 1.00 0.00 C ATOM 134 C LEU A 9 3.658 9.319 4.730 1.00 0.00 C ATOM 135 O LEU A 9 3.441 10.256 3.994 1.00 0.00 O ATOM 136 CB LEU A 9 3.017 10.538 6.829 1.00 0.00 C ATOM 137 CG LEU A 9 2.901 10.290 8.332 1.00 0.00 C ATOM 138 CD1 LEU A 9 3.843 11.236 9.078 1.00 0.00 C ATOM 139 CD2 LEU A 9 1.458 10.547 8.778 1.00 0.00 C ATOM 0 H LEU A 9 5.362 11.024 6.932 1.00 0.00 H new ATOM 0 HA LEU A 9 3.938 8.545 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.365 11.554 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.038 10.446 6.359 1.00 0.00 H new ATOM 0 HG LEU A 9 3.173 9.258 8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.761 11.060 10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.869 11.055 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.571 12.268 8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.372 10.371 9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.187 11.579 8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.787 9.874 8.245 1.00 0.00 H new ATOM 151 N ARG A 10 3.609 8.091 4.275 1.00 0.00 N ATOM 152 CA ARG A 10 3.301 7.863 2.833 1.00 0.00 C ATOM 153 C ARG A 10 2.749 6.455 2.578 1.00 0.00 C ATOM 154 O ARG A 10 2.705 5.614 3.450 1.00 0.00 O ATOM 155 CB ARG A 10 4.645 8.013 2.146 1.00 0.00 C ATOM 156 CG ARG A 10 4.455 8.021 0.624 1.00 0.00 C ATOM 157 CD ARG A 10 3.334 8.960 0.221 1.00 0.00 C ATOM 158 NE ARG A 10 3.285 8.857 -1.262 1.00 0.00 N ATOM 159 CZ ARG A 10 4.367 9.074 -1.959 1.00 0.00 C ATOM 160 NH1 ARG A 10 5.075 10.148 -1.744 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.744 8.215 -2.865 1.00 0.00 N ATOM 0 H ARG A 10 3.766 7.250 4.831 1.00 0.00 H new ATOM 0 HA ARG A 10 2.540 8.555 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.126 8.937 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.304 7.194 2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.382 8.327 0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.232 7.012 0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.386 8.665 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.536 9.982 0.543 1.00 0.00 H new ATOM 0 HE ARG A 10 2.411 8.618 -1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.783 10.817 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.921 10.319 -2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.193 7.372 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.590 8.386 -3.409 1.00 0.00 H new ATOM 175 N VAL A 11 2.354 6.187 1.368 1.00 0.00 N ATOM 176 CA VAL A 11 1.834 4.838 1.033 1.00 0.00 C ATOM 177 C VAL A 11 2.992 3.928 0.612 1.00 0.00 C ATOM 178 O VAL A 11 3.553 4.065 -0.460 1.00 0.00 O ATOM 179 CB VAL A 11 0.877 5.081 -0.131 1.00 0.00 C ATOM 180 CG1 VAL A 11 -0.098 6.195 0.250 1.00 0.00 C ATOM 181 CG2 VAL A 11 1.673 5.511 -1.367 1.00 0.00 C ATOM 0 H VAL A 11 2.369 6.849 0.592 1.00 0.00 H new ATOM 0 HA VAL A 11 1.339 4.348 1.871 1.00 0.00 H new ATOM 0 HB VAL A 11 0.329 4.165 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.786 6.375 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.663 5.898 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.458 7.108 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.989 5.684 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.218 6.429 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.379 4.726 -1.636 1.00 0.00 H new ATOM 191 N LEU A 12 3.373 3.006 1.446 1.00 0.00 N ATOM 192 CA LEU A 12 4.498 2.113 1.072 1.00 0.00 C ATOM 193 C LEU A 12 3.963 0.891 0.316 1.00 0.00 C ATOM 194 O LEU A 12 3.559 -0.092 0.902 1.00 0.00 O ATOM 195 CB LEU A 12 5.147 1.695 2.393 1.00 0.00 C ATOM 196 CG LEU A 12 5.843 2.890 3.068 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.913 3.462 2.143 1.00 0.00 C ATOM 198 CD2 LEU A 12 4.825 3.987 3.395 1.00 0.00 C ATOM 0 H LEU A 12 2.959 2.833 2.362 1.00 0.00 H new ATOM 0 HA LEU A 12 5.216 2.606 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.389 1.286 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.873 0.902 2.211 1.00 0.00 H new ATOM 0 HG LEU A 12 6.305 2.541 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.400 4.307 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.654 2.693 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.451 3.795 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.334 4.825 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.349 4.327 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.067 3.590 4.071 1.00 0.00 H new ATOM 210 N VAL A 13 3.985 0.936 -0.985 1.00 0.00 N ATOM 211 CA VAL A 13 3.499 -0.223 -1.789 1.00 0.00 C ATOM 212 C VAL A 13 4.673 -1.143 -2.036 1.00 0.00 C ATOM 213 O VAL A 13 5.811 -0.731 -1.956 1.00 0.00 O ATOM 214 CB VAL A 13 2.973 0.362 -3.092 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.226 -0.723 -3.870 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.019 1.517 -2.780 1.00 0.00 C ATOM 0 H VAL A 13 4.320 1.729 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 13 2.716 -0.795 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 13 3.806 0.730 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.848 -0.306 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.905 -1.547 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.391 -1.090 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.641 1.938 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.185 1.149 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.551 2.288 -2.223 1.00 0.00 H new ATOM 226 N VAL A 14 4.445 -2.391 -2.265 1.00 0.00 N ATOM 227 CA VAL A 14 5.621 -3.267 -2.428 1.00 0.00 C ATOM 228 C VAL A 14 5.236 -4.651 -2.980 1.00 0.00 C ATOM 229 O VAL A 14 4.512 -5.410 -2.373 1.00 0.00 O ATOM 230 CB VAL A 14 6.207 -3.297 -0.993 1.00 0.00 C ATOM 231 CG1 VAL A 14 5.086 -3.244 0.050 1.00 0.00 C ATOM 232 CG2 VAL A 14 7.033 -4.546 -0.743 1.00 0.00 C ATOM 0 H VAL A 14 3.530 -2.834 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 14 6.346 -2.915 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 14 6.851 -2.422 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.518 -3.266 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.513 -2.325 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.427 -4.103 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.424 -4.526 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.407 -5.429 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.862 -4.582 -1.450 1.00 0.00 H new ATOM 242 N GLU A 15 5.735 -4.970 -4.149 1.00 0.00 N ATOM 243 CA GLU A 15 5.451 -6.297 -4.775 1.00 0.00 C ATOM 244 C GLU A 15 6.495 -6.591 -5.868 1.00 0.00 C ATOM 245 O GLU A 15 6.964 -5.705 -6.550 1.00 0.00 O ATOM 246 CB GLU A 15 4.048 -6.216 -5.373 1.00 0.00 C ATOM 247 CG GLU A 15 3.835 -7.425 -6.274 1.00 0.00 C ATOM 248 CD GLU A 15 4.400 -7.149 -7.660 1.00 0.00 C ATOM 249 OE1 GLU A 15 4.121 -6.087 -8.192 1.00 0.00 O ATOM 250 OE2 GLU A 15 5.098 -8.009 -8.170 1.00 0.00 O ATOM 0 H GLU A 15 6.335 -4.358 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 15 5.505 -7.102 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.299 -6.198 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.932 -5.294 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.320 -8.300 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.771 -7.653 -6.345 1.00 0.00 H new ATOM 257 N ASP A 16 6.869 -7.835 -6.003 1.00 0.00 N ATOM 258 CA ASP A 16 7.900 -8.246 -7.005 1.00 0.00 C ATOM 259 C ASP A 16 7.618 -7.689 -8.402 1.00 0.00 C ATOM 260 O ASP A 16 7.141 -8.384 -9.278 1.00 0.00 O ATOM 261 CB ASP A 16 7.814 -9.768 -7.027 1.00 0.00 C ATOM 262 CG ASP A 16 6.461 -10.188 -7.608 1.00 0.00 C ATOM 263 OD1 ASP A 16 5.470 -10.037 -6.916 1.00 0.00 O ATOM 264 OD2 ASP A 16 6.437 -10.639 -8.741 1.00 0.00 O ATOM 0 H ASP A 16 6.494 -8.604 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 16 8.884 -7.866 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.625 -10.181 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.929 -10.165 -6.019 1.00 0.00 H new ATOM 269 N GLU A 17 7.932 -6.453 -8.624 1.00 0.00 N ATOM 270 CA GLU A 17 7.709 -5.862 -9.979 1.00 0.00 C ATOM 271 C GLU A 17 8.086 -4.382 -9.996 1.00 0.00 C ATOM 272 O GLU A 17 8.054 -3.708 -8.986 1.00 0.00 O ATOM 273 CB GLU A 17 6.217 -6.029 -10.259 1.00 0.00 C ATOM 274 CG GLU A 17 6.021 -6.882 -11.514 1.00 0.00 C ATOM 275 CD GLU A 17 4.903 -7.900 -11.275 1.00 0.00 C ATOM 276 OE1 GLU A 17 5.195 -8.955 -10.736 1.00 0.00 O ATOM 277 OE2 GLU A 17 3.775 -7.608 -11.636 1.00 0.00 O ATOM 0 H GLU A 17 8.333 -5.819 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 17 8.324 -6.354 -10.733 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.728 -6.501 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.751 -5.053 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.771 -6.246 -12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.948 -7.397 -11.764 1.00 0.00 H new ATOM 284 N SER A 18 8.429 -3.870 -11.144 1.00 0.00 N ATOM 285 CA SER A 18 8.790 -2.429 -11.241 1.00 0.00 C ATOM 286 C SER A 18 7.570 -1.641 -11.714 1.00 0.00 C ATOM 287 O SER A 18 7.462 -0.449 -11.504 1.00 0.00 O ATOM 288 CB SER A 18 9.917 -2.361 -12.272 1.00 0.00 C ATOM 289 OG SER A 18 9.451 -2.872 -13.514 1.00 0.00 O ATOM 0 H SER A 18 8.475 -4.388 -12.021 1.00 0.00 H new ATOM 0 HA SER A 18 9.106 -2.006 -10.287 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.253 -1.331 -12.393 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.775 -2.938 -11.928 1.00 0.00 H new ATOM 0 HG SER A 18 10.171 -2.828 -14.177 1.00 0.00 H new ATOM 295 N MET A 19 6.642 -2.307 -12.345 1.00 0.00 N ATOM 296 CA MET A 19 5.418 -1.611 -12.826 1.00 0.00 C ATOM 297 C MET A 19 4.690 -0.967 -11.641 1.00 0.00 C ATOM 298 O MET A 19 3.927 -0.035 -11.802 1.00 0.00 O ATOM 299 CB MET A 19 4.566 -2.713 -13.460 1.00 0.00 C ATOM 300 CG MET A 19 3.585 -2.097 -14.461 1.00 0.00 C ATOM 301 SD MET A 19 2.110 -3.143 -14.585 1.00 0.00 S ATOM 302 CE MET A 19 2.653 -4.149 -15.989 1.00 0.00 C ATOM 0 H MET A 19 6.680 -3.306 -12.548 1.00 0.00 H new ATOM 0 HA MET A 19 5.635 -0.813 -13.536 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.207 -3.437 -13.963 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.020 -3.254 -12.687 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.306 -1.093 -14.142 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.059 -2.001 -15.438 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.879 -4.875 -16.238 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.836 -3.505 -16.849 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.571 -4.674 -15.727 1.00 0.00 H new ATOM 312 N ILE A 20 4.930 -1.447 -10.449 1.00 0.00 N ATOM 313 CA ILE A 20 4.259 -0.844 -9.260 1.00 0.00 C ATOM 314 C ILE A 20 4.986 0.438 -8.865 1.00 0.00 C ATOM 315 O ILE A 20 4.411 1.346 -8.297 1.00 0.00 O ATOM 316 CB ILE A 20 4.364 -1.889 -8.146 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.687 -1.345 -6.884 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.833 -2.195 -7.841 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.205 -2.509 -6.019 1.00 0.00 C ATOM 0 H ILE A 20 5.558 -2.226 -10.248 1.00 0.00 H new ATOM 0 HA ILE A 20 3.219 -0.586 -9.459 1.00 0.00 H new ATOM 0 HB ILE A 20 3.872 -2.807 -8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.386 -0.726 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.845 -0.708 -7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.892 -2.939 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.318 -2.581 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.336 -1.282 -7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.724 -2.120 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.491 -3.110 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.056 -3.128 -5.735 1.00 0.00 H new ATOM 331 N ALA A 21 6.250 0.519 -9.171 1.00 0.00 N ATOM 332 CA ALA A 21 7.024 1.740 -8.826 1.00 0.00 C ATOM 333 C ALA A 21 6.398 2.961 -9.496 1.00 0.00 C ATOM 334 O ALA A 21 6.049 3.927 -8.846 1.00 0.00 O ATOM 335 CB ALA A 21 8.421 1.484 -9.381 1.00 0.00 C ATOM 0 H ALA A 21 6.781 -0.211 -9.647 1.00 0.00 H new ATOM 0 HA ALA A 21 7.039 1.937 -7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.060 2.341 -9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.841 0.594 -8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.362 1.334 -10.459 1.00 0.00 H new ATOM 341 N MET A 22 6.250 2.928 -10.790 1.00 0.00 N ATOM 342 CA MET A 22 5.641 4.093 -11.487 1.00 0.00 C ATOM 343 C MET A 22 4.208 4.286 -11.000 1.00 0.00 C ATOM 344 O MET A 22 3.690 5.385 -10.973 1.00 0.00 O ATOM 345 CB MET A 22 5.673 3.739 -12.975 1.00 0.00 C ATOM 346 CG MET A 22 6.052 4.978 -13.788 1.00 0.00 C ATOM 347 SD MET A 22 6.983 4.475 -15.256 1.00 0.00 S ATOM 348 CE MET A 22 6.958 6.076 -16.100 1.00 0.00 C ATOM 0 H MET A 22 6.522 2.151 -11.392 1.00 0.00 H new ATOM 0 HA MET A 22 6.174 5.024 -11.293 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.392 2.940 -13.154 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.699 3.367 -13.292 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.154 5.522 -14.082 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.650 5.656 -13.180 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.488 5.995 -17.049 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.926 6.374 -16.284 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.446 6.824 -15.475 1.00 0.00 H new ATOM 358 N LEU A 23 3.573 3.226 -10.587 1.00 0.00 N ATOM 359 CA LEU A 23 2.183 3.343 -10.069 1.00 0.00 C ATOM 360 C LEU A 23 2.208 4.109 -8.743 1.00 0.00 C ATOM 361 O LEU A 23 1.183 4.425 -8.174 1.00 0.00 O ATOM 362 CB LEU A 23 1.728 1.887 -9.876 1.00 0.00 C ATOM 363 CG LEU A 23 0.534 1.788 -8.910 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.012 1.965 -7.465 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.521 2.852 -9.244 1.00 0.00 C ATOM 0 H LEU A 23 3.958 2.281 -10.586 1.00 0.00 H new ATOM 0 HA LEU A 23 1.508 3.885 -10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.452 1.461 -10.841 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.558 1.294 -9.491 1.00 0.00 H new ATOM 0 HG LEU A 23 0.082 0.802 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.160 1.893 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.734 1.185 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.482 2.942 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.357 2.766 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.078 3.844 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.878 2.703 -10.263 1.00 0.00 H new ATOM 377 N ILE A 24 3.379 4.402 -8.240 1.00 0.00 N ATOM 378 CA ILE A 24 3.470 5.136 -6.949 1.00 0.00 C ATOM 379 C ILE A 24 3.758 6.624 -7.186 1.00 0.00 C ATOM 380 O ILE A 24 3.212 7.483 -6.523 1.00 0.00 O ATOM 381 CB ILE A 24 4.619 4.445 -6.195 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.241 4.334 -4.717 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.924 5.241 -6.323 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.757 3.012 -4.142 1.00 0.00 C ATOM 0 H ILE A 24 4.273 4.164 -8.669 1.00 0.00 H new ATOM 0 HA ILE A 24 2.539 5.107 -6.382 1.00 0.00 H new ATOM 0 HB ILE A 24 4.777 3.457 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.663 5.171 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.158 4.391 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.718 4.728 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.198 5.323 -7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.784 6.238 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.483 2.942 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.314 2.180 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.842 2.972 -4.238 1.00 0.00 H new ATOM 396 N GLU A 25 4.619 6.934 -8.115 1.00 0.00 N ATOM 397 CA GLU A 25 4.942 8.365 -8.375 1.00 0.00 C ATOM 398 C GLU A 25 3.777 9.051 -9.091 1.00 0.00 C ATOM 399 O GLU A 25 3.728 10.260 -9.194 1.00 0.00 O ATOM 400 CB GLU A 25 6.190 8.336 -9.257 1.00 0.00 C ATOM 401 CG GLU A 25 7.337 7.676 -8.486 1.00 0.00 C ATOM 402 CD GLU A 25 8.669 8.274 -8.942 1.00 0.00 C ATOM 403 OE1 GLU A 25 8.660 9.395 -9.425 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.677 7.600 -8.804 1.00 0.00 O ATOM 0 H GLU A 25 5.111 6.262 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 25 5.113 8.926 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.988 7.784 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.467 9.349 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.205 7.829 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.332 6.599 -8.657 1.00 0.00 H new ATOM 411 N ASP A 26 2.830 8.294 -9.577 1.00 0.00 N ATOM 412 CA ASP A 26 1.668 8.920 -10.270 1.00 0.00 C ATOM 413 C ASP A 26 0.648 9.401 -9.235 1.00 0.00 C ATOM 414 O ASP A 26 0.161 10.513 -9.303 1.00 0.00 O ATOM 415 CB ASP A 26 1.082 7.819 -11.160 1.00 0.00 C ATOM 416 CG ASP A 26 0.271 6.841 -10.309 1.00 0.00 C ATOM 417 OD1 ASP A 26 0.774 6.426 -9.278 1.00 0.00 O ATOM 418 OD2 ASP A 26 -0.840 6.525 -10.700 1.00 0.00 O ATOM 0 H ASP A 26 2.811 7.276 -9.525 1.00 0.00 H new ATOM 0 HA ASP A 26 1.952 9.790 -10.861 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.447 8.260 -11.929 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.884 7.289 -11.674 1.00 0.00 H new ATOM 423 N THR A 27 0.337 8.584 -8.263 1.00 0.00 N ATOM 424 CA THR A 27 -0.629 9.011 -7.217 1.00 0.00 C ATOM 425 C THR A 27 0.008 10.116 -6.381 1.00 0.00 C ATOM 426 O THR A 27 -0.540 11.188 -6.219 1.00 0.00 O ATOM 427 CB THR A 27 -0.868 7.774 -6.365 1.00 0.00 C ATOM 428 OG1 THR A 27 -0.979 6.631 -7.203 1.00 0.00 O ATOM 429 CG2 THR A 27 -2.152 7.948 -5.550 1.00 0.00 C ATOM 0 H THR A 27 0.711 7.642 -8.151 1.00 0.00 H new ATOM 0 HA THR A 27 -1.561 9.396 -7.631 1.00 0.00 H new ATOM 0 HB THR A 27 -0.029 7.638 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.921 6.373 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.320 7.060 -4.941 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.056 8.819 -4.902 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.996 8.089 -6.226 1.00 0.00 H new ATOM 437 N LEU A 28 1.182 9.864 -5.871 1.00 0.00 N ATOM 438 CA LEU A 28 1.885 10.897 -5.068 1.00 0.00 C ATOM 439 C LEU A 28 2.024 12.157 -5.923 1.00 0.00 C ATOM 440 O LEU A 28 2.073 13.262 -5.420 1.00 0.00 O ATOM 441 CB LEU A 28 3.238 10.248 -4.733 1.00 0.00 C ATOM 442 CG LEU A 28 4.368 11.287 -4.661 1.00 0.00 C ATOM 443 CD1 LEU A 28 4.742 11.763 -6.068 1.00 0.00 C ATOM 444 CD2 LEU A 28 3.924 12.481 -3.813 1.00 0.00 C ATOM 0 H LEU A 28 1.684 8.983 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 28 1.371 11.200 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.164 9.725 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.479 9.500 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 28 5.241 10.823 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.544 12.499 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.077 10.913 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.871 12.216 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.730 13.214 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.043 12.939 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.683 12.142 -2.806 1.00 0.00 H new ATOM 456 N CYS A 29 2.054 11.993 -7.222 1.00 0.00 N ATOM 457 CA CYS A 29 2.152 13.177 -8.117 1.00 0.00 C ATOM 458 C CYS A 29 0.916 14.050 -7.902 1.00 0.00 C ATOM 459 O CYS A 29 0.951 15.255 -8.054 1.00 0.00 O ATOM 460 CB CYS A 29 2.173 12.613 -9.541 1.00 0.00 C ATOM 461 SG CYS A 29 3.729 13.071 -10.344 1.00 0.00 S ATOM 0 H CYS A 29 2.015 11.091 -7.697 1.00 0.00 H new ATOM 0 HA CYS A 29 3.036 13.786 -7.925 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.069 11.528 -9.516 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.329 13.001 -10.111 1.00 0.00 H new ATOM 0 HG CYS A 29 4.566 12.079 -10.267 1.00 0.00 H new ATOM 467 N GLU A 30 -0.177 13.433 -7.538 1.00 0.00 N ATOM 468 CA GLU A 30 -1.432 14.188 -7.293 1.00 0.00 C ATOM 469 C GLU A 30 -1.549 14.549 -5.811 1.00 0.00 C ATOM 470 O GLU A 30 -1.732 15.695 -5.450 1.00 0.00 O ATOM 471 CB GLU A 30 -2.553 13.225 -7.683 1.00 0.00 C ATOM 472 CG GLU A 30 -3.890 13.768 -7.175 1.00 0.00 C ATOM 473 CD GLU A 30 -4.997 12.756 -7.477 1.00 0.00 C ATOM 474 OE1 GLU A 30 -4.747 11.849 -8.252 1.00 0.00 O ATOM 475 OE2 GLU A 30 -6.076 12.906 -6.927 1.00 0.00 O ATOM 0 H GLU A 30 -0.250 12.425 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.468 15.119 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.584 13.106 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.364 12.239 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.835 13.955 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.113 14.722 -7.654 1.00 0.00 H new ATOM 482 N LEU A 31 -1.448 13.571 -4.952 1.00 0.00 N ATOM 483 CA LEU A 31 -1.556 13.845 -3.490 1.00 0.00 C ATOM 484 C LEU A 31 -0.308 14.572 -2.998 1.00 0.00 C ATOM 485 O LEU A 31 -0.361 15.367 -2.080 1.00 0.00 O ATOM 486 CB LEU A 31 -1.651 12.468 -2.820 1.00 0.00 C ATOM 487 CG LEU A 31 -2.949 11.749 -3.216 1.00 0.00 C ATOM 488 CD1 LEU A 31 -4.086 12.759 -3.390 1.00 0.00 C ATOM 489 CD2 LEU A 31 -2.732 10.987 -4.527 1.00 0.00 C ATOM 0 H LEU A 31 -1.295 12.593 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.417 14.473 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.793 11.860 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.612 12.584 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.220 11.049 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.999 12.234 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.247 13.291 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.823 13.472 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.653 10.477 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.451 11.688 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.937 10.253 -4.394 1.00 0.00 H new ATOM 501 N GLY A 32 0.821 14.295 -3.587 1.00 0.00 N ATOM 502 CA GLY A 32 2.067 14.960 -3.131 1.00 0.00 C ATOM 503 C GLY A 32 2.370 14.496 -1.707 1.00 0.00 C ATOM 504 O GLY A 32 2.958 15.214 -0.923 1.00 0.00 O ATOM 0 H GLY A 32 0.932 13.640 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.895 14.710 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.951 16.043 -3.160 1.00 0.00 H new ATOM 508 N HIS A 33 1.966 13.298 -1.366 1.00 0.00 N ATOM 509 CA HIS A 33 2.226 12.787 0.010 1.00 0.00 C ATOM 510 C HIS A 33 3.732 12.798 0.304 1.00 0.00 C ATOM 511 O HIS A 33 4.469 13.596 -0.238 1.00 0.00 O ATOM 512 CB HIS A 33 1.644 11.375 0.034 1.00 0.00 C ATOM 513 CG HIS A 33 0.182 11.453 0.365 1.00 0.00 C ATOM 514 ND1 HIS A 33 -0.804 11.015 -0.503 1.00 0.00 N ATOM 515 CD2 HIS A 33 -0.472 11.906 1.481 1.00 0.00 C ATOM 516 CE1 HIS A 33 -1.991 11.211 0.102 1.00 0.00 C ATOM 517 NE2 HIS A 33 -1.845 11.753 1.314 1.00 0.00 N ATOM 0 H HIS A 33 1.468 12.654 -1.981 1.00 0.00 H new ATOM 0 HA HIS A 33 1.767 13.406 0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.785 10.893 -0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.165 10.766 0.773 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.006 12.319 2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.945 10.961 -0.339 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.581 12.001 1.975 1.00 0.00 H new ATOM 525 N GLU A 34 4.191 11.965 1.196 1.00 0.00 N ATOM 526 CA GLU A 34 5.634 11.991 1.559 1.00 0.00 C ATOM 527 C GLU A 34 6.496 10.994 0.744 1.00 0.00 C ATOM 528 O GLU A 34 6.776 11.229 -0.413 1.00 0.00 O ATOM 529 CB GLU A 34 5.596 11.673 3.046 1.00 0.00 C ATOM 530 CG GLU A 34 4.655 12.694 3.718 1.00 0.00 C ATOM 531 CD GLU A 34 5.270 13.242 5.008 1.00 0.00 C ATOM 532 OE1 GLU A 34 5.603 12.451 5.866 1.00 0.00 O ATOM 533 OE2 GLU A 34 5.374 14.451 5.123 1.00 0.00 O ATOM 0 H GLU A 34 3.630 11.269 1.688 1.00 0.00 H new ATOM 0 HA GLU A 34 6.114 12.943 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.239 10.657 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.596 11.733 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.453 13.515 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.698 12.221 3.940 1.00 0.00 H new ATOM 540 N VAL A 35 6.955 9.910 1.331 1.00 0.00 N ATOM 541 CA VAL A 35 7.832 8.956 0.557 1.00 0.00 C ATOM 542 C VAL A 35 7.274 7.526 0.602 1.00 0.00 C ATOM 543 O VAL A 35 7.187 6.913 1.647 1.00 0.00 O ATOM 544 CB VAL A 35 9.198 9.019 1.243 1.00 0.00 C ATOM 545 CG1 VAL A 35 9.138 8.284 2.583 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.247 8.353 0.347 1.00 0.00 C ATOM 0 H VAL A 35 6.766 9.644 2.297 1.00 0.00 H new ATOM 0 HA VAL A 35 7.887 9.230 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 35 9.468 10.061 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.113 8.331 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.391 8.754 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.867 7.242 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.221 8.397 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.972 7.312 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.295 8.876 -0.608 1.00 0.00 H new ATOM 556 N ALA A 36 6.861 7.008 -0.531 1.00 0.00 N ATOM 557 CA ALA A 36 6.267 5.645 -0.562 1.00 0.00 C ATOM 558 C ALA A 36 7.320 4.571 -0.844 1.00 0.00 C ATOM 559 O ALA A 36 8.509 4.821 -0.820 1.00 0.00 O ATOM 560 CB ALA A 36 5.247 5.693 -1.701 1.00 0.00 C ATOM 0 H ALA A 36 6.913 7.477 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 36 5.822 5.385 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.759 4.723 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.499 6.456 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.755 5.935 -2.635 1.00 0.00 H new ATOM 566 N ALA A 37 6.875 3.373 -1.118 1.00 0.00 N ATOM 567 CA ALA A 37 7.826 2.261 -1.413 1.00 0.00 C ATOM 568 C ALA A 37 7.355 1.500 -2.652 1.00 0.00 C ATOM 569 O ALA A 37 6.176 1.326 -2.871 1.00 0.00 O ATOM 570 CB ALA A 37 7.787 1.363 -0.178 1.00 0.00 C ATOM 0 H ALA A 37 5.889 3.116 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 37 8.836 2.616 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.463 0.520 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.097 1.934 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.772 0.993 -0.029 1.00 0.00 H new ATOM 576 N THR A 38 8.265 1.062 -3.471 1.00 0.00 N ATOM 577 CA THR A 38 7.867 0.329 -4.711 1.00 0.00 C ATOM 578 C THR A 38 8.546 -1.043 -4.802 1.00 0.00 C ATOM 579 O THR A 38 9.613 -1.264 -4.264 1.00 0.00 O ATOM 580 CB THR A 38 8.333 1.221 -5.865 1.00 0.00 C ATOM 581 OG1 THR A 38 8.405 0.441 -7.050 1.00 0.00 O ATOM 582 CG2 THR A 38 9.715 1.805 -5.558 1.00 0.00 C ATOM 0 H THR A 38 9.270 1.178 -3.339 1.00 0.00 H new ATOM 0 HA THR A 38 6.794 0.140 -4.729 1.00 0.00 H new ATOM 0 HB THR A 38 7.625 2.040 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.318 0.105 -7.165 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.035 2.437 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.664 2.400 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.431 0.994 -5.423 1.00 0.00 H new ATOM 590 N ALA A 39 7.923 -1.962 -5.493 1.00 0.00 N ATOM 591 CA ALA A 39 8.502 -3.331 -5.648 1.00 0.00 C ATOM 592 C ALA A 39 8.479 -4.062 -4.316 1.00 0.00 C ATOM 593 O ALA A 39 8.334 -3.459 -3.275 1.00 0.00 O ATOM 594 CB ALA A 39 9.940 -3.128 -6.104 1.00 0.00 C ATOM 0 H ALA A 39 7.028 -1.821 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 39 7.933 -3.927 -6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.420 -4.098 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.949 -2.587 -7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.482 -2.554 -5.353 1.00 0.00 H new ATOM 600 N SER A 40 8.601 -5.357 -4.329 1.00 0.00 N ATOM 601 CA SER A 40 8.569 -6.080 -3.036 1.00 0.00 C ATOM 602 C SER A 40 9.933 -6.007 -2.350 1.00 0.00 C ATOM 603 O SER A 40 10.966 -6.084 -2.986 1.00 0.00 O ATOM 604 CB SER A 40 8.166 -7.514 -3.338 1.00 0.00 C ATOM 605 OG SER A 40 9.187 -8.157 -4.089 1.00 0.00 O ATOM 0 H SER A 40 8.719 -5.935 -5.161 1.00 0.00 H new ATOM 0 HA SER A 40 7.853 -5.630 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.991 -8.055 -2.408 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.229 -7.528 -3.895 1.00 0.00 H new ATOM 0 HG SER A 40 8.921 -9.081 -4.278 1.00 0.00 H new ATOM 611 N ARG A 41 9.943 -5.837 -1.055 1.00 0.00 N ATOM 612 CA ARG A 41 11.234 -5.735 -0.326 1.00 0.00 C ATOM 613 C ARG A 41 11.022 -6.000 1.166 1.00 0.00 C ATOM 614 O ARG A 41 10.302 -5.289 1.833 1.00 0.00 O ATOM 615 CB ARG A 41 11.687 -4.295 -0.552 1.00 0.00 C ATOM 616 CG ARG A 41 13.216 -4.239 -0.569 1.00 0.00 C ATOM 617 CD ARG A 41 13.721 -4.410 -2.003 1.00 0.00 C ATOM 618 NE ARG A 41 15.142 -4.830 -1.860 1.00 0.00 N ATOM 619 CZ ARG A 41 15.460 -6.091 -1.952 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.891 -6.841 -2.856 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.344 -6.603 -1.141 1.00 0.00 N ATOM 0 H ARG A 41 9.109 -5.765 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 41 11.969 -6.461 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.288 -3.921 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.297 -3.652 0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.559 -3.288 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.626 -5.023 0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.140 -5.159 -2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.638 -3.480 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 41 15.866 -4.132 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.199 -6.440 -3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.139 -7.828 -2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.787 -6.017 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.592 -7.590 -1.214 1.00 0.00 H new ATOM 635 N MET A 42 11.641 -7.018 1.693 1.00 0.00 N ATOM 636 CA MET A 42 11.467 -7.331 3.140 1.00 0.00 C ATOM 637 C MET A 42 12.036 -6.208 4.018 1.00 0.00 C ATOM 638 O MET A 42 11.588 -5.991 5.126 1.00 0.00 O ATOM 639 CB MET A 42 12.243 -8.632 3.351 1.00 0.00 C ATOM 640 CG MET A 42 11.499 -9.783 2.668 1.00 0.00 C ATOM 641 SD MET A 42 12.637 -11.163 2.396 1.00 0.00 S ATOM 642 CE MET A 42 12.409 -11.300 0.604 1.00 0.00 C ATOM 0 H MET A 42 12.261 -7.648 1.185 1.00 0.00 H new ATOM 0 HA MET A 42 10.417 -7.427 3.415 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.248 -8.540 2.940 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.351 -8.835 4.416 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.661 -10.106 3.286 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.084 -9.448 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.031 -12.108 0.219 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.362 -11.512 0.386 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.696 -10.362 0.128 1.00 0.00 H new ATOM 652 N GLN A 43 13.020 -5.496 3.540 1.00 0.00 N ATOM 653 CA GLN A 43 13.609 -4.396 4.359 1.00 0.00 C ATOM 654 C GLN A 43 12.637 -3.217 4.451 1.00 0.00 C ATOM 655 O GLN A 43 12.100 -2.924 5.502 1.00 0.00 O ATOM 656 CB GLN A 43 14.883 -3.981 3.620 1.00 0.00 C ATOM 657 CG GLN A 43 15.776 -3.171 4.563 1.00 0.00 C ATOM 658 CD GLN A 43 16.829 -2.414 3.752 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.021 -2.683 2.583 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.526 -1.473 4.328 1.00 0.00 N ATOM 0 H GLN A 43 13.441 -5.627 2.620 1.00 0.00 H new ATOM 0 HA GLN A 43 13.816 -4.716 5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.415 -4.864 3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.630 -3.388 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.172 -2.469 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.262 -3.834 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.365 -1.247 5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.232 -0.963 3.797 1.00 0.00 H new ATOM 669 N GLU A 44 12.410 -2.534 3.363 1.00 0.00 N ATOM 670 CA GLU A 44 11.479 -1.371 3.393 1.00 0.00 C ATOM 671 C GLU A 44 10.071 -1.820 3.800 1.00 0.00 C ATOM 672 O GLU A 44 9.441 -1.221 4.651 1.00 0.00 O ATOM 673 CB GLU A 44 11.477 -0.826 1.964 1.00 0.00 C ATOM 674 CG GLU A 44 12.356 0.426 1.890 1.00 0.00 C ATOM 675 CD GLU A 44 11.685 1.570 2.652 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.753 1.565 3.869 1.00 0.00 O ATOM 677 OE2 GLU A 44 11.113 2.432 2.004 1.00 0.00 O ATOM 0 H GLU A 44 12.829 -2.731 2.454 1.00 0.00 H new ATOM 0 HA GLU A 44 11.789 -0.617 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.848 -1.584 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.459 -0.587 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.338 0.219 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.513 0.711 0.850 1.00 0.00 H new ATOM 684 N ALA A 45 9.572 -2.870 3.203 1.00 0.00 N ATOM 685 CA ALA A 45 8.205 -3.346 3.567 1.00 0.00 C ATOM 686 C ALA A 45 8.049 -3.328 5.088 1.00 0.00 C ATOM 687 O ALA A 45 7.195 -2.660 5.628 1.00 0.00 O ATOM 688 CB ALA A 45 8.119 -4.775 3.033 1.00 0.00 C ATOM 0 H ALA A 45 10.048 -3.415 2.484 1.00 0.00 H new ATOM 0 HA ALA A 45 7.418 -2.718 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.139 -5.191 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.265 -4.769 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.892 -5.385 3.500 1.00 0.00 H new ATOM 694 N LEU A 46 8.884 -4.042 5.783 1.00 0.00 N ATOM 695 CA LEU A 46 8.797 -4.046 7.265 1.00 0.00 C ATOM 696 C LEU A 46 8.621 -2.613 7.759 1.00 0.00 C ATOM 697 O LEU A 46 7.878 -2.342 8.682 1.00 0.00 O ATOM 698 CB LEU A 46 10.141 -4.605 7.723 1.00 0.00 C ATOM 699 CG LEU A 46 10.275 -4.434 9.232 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.663 -5.771 9.861 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.358 -3.393 9.529 1.00 0.00 C ATOM 0 H LEU A 46 9.623 -4.623 5.389 1.00 0.00 H new ATOM 0 HA LEU A 46 7.960 -4.631 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.218 -5.659 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.954 -4.088 7.214 1.00 0.00 H new ATOM 0 HG LEU A 46 9.325 -4.100 9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.759 -5.651 10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.893 -6.512 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.614 -6.106 9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.457 -3.268 10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.309 -3.728 9.114 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.081 -2.441 9.077 1.00 0.00 H new ATOM 713 N ASP A 47 9.308 -1.696 7.140 1.00 0.00 N ATOM 714 CA ASP A 47 9.204 -0.268 7.548 1.00 0.00 C ATOM 715 C ASP A 47 7.777 0.254 7.344 1.00 0.00 C ATOM 716 O ASP A 47 7.382 1.239 7.930 1.00 0.00 O ATOM 717 CB ASP A 47 10.178 0.478 6.637 1.00 0.00 C ATOM 718 CG ASP A 47 10.899 1.561 7.439 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.012 1.402 8.643 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.326 2.533 6.836 1.00 0.00 O ATOM 0 H ASP A 47 9.943 -1.876 6.362 1.00 0.00 H new ATOM 0 HA ASP A 47 9.439 -0.131 8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.902 -0.218 6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.640 0.927 5.802 1.00 0.00 H new ATOM 725 N ILE A 48 6.998 -0.394 6.521 1.00 0.00 N ATOM 726 CA ILE A 48 5.603 0.085 6.302 1.00 0.00 C ATOM 727 C ILE A 48 4.697 -0.453 7.409 1.00 0.00 C ATOM 728 O ILE A 48 3.722 0.164 7.778 1.00 0.00 O ATOM 729 CB ILE A 48 5.161 -0.447 4.928 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.598 -1.875 5.060 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.343 -0.426 3.957 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.684 -2.611 3.713 1.00 0.00 C ATOM 0 H ILE A 48 7.263 -1.227 5.995 1.00 0.00 H new ATOM 0 HA ILE A 48 5.544 1.173 6.326 1.00 0.00 H new ATOM 0 HB ILE A 48 4.373 0.197 4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.156 -2.424 5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.561 -1.835 5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.023 -0.804 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.705 0.596 3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.144 -1.055 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.282 -3.618 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.106 -2.069 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.725 -2.668 3.395 1.00 0.00 H new ATOM 744 N ALA A 49 5.007 -1.607 7.931 1.00 0.00 N ATOM 745 CA ALA A 49 4.154 -2.187 9.000 1.00 0.00 C ATOM 746 C ALA A 49 4.587 -1.685 10.383 1.00 0.00 C ATOM 747 O ALA A 49 3.869 -0.963 11.045 1.00 0.00 O ATOM 748 CB ALA A 49 4.360 -3.698 8.893 1.00 0.00 C ATOM 0 H ALA A 49 5.813 -2.171 7.663 1.00 0.00 H new ATOM 0 HA ALA A 49 3.109 -1.902 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.761 -4.201 9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.053 -4.038 7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.413 -3.933 9.046 1.00 0.00 H new ATOM 754 N ARG A 50 5.746 -2.082 10.831 1.00 0.00 N ATOM 755 CA ARG A 50 6.220 -1.652 12.181 1.00 0.00 C ATOM 756 C ARG A 50 6.193 -0.127 12.329 1.00 0.00 C ATOM 757 O ARG A 50 5.947 0.392 13.400 1.00 0.00 O ATOM 758 CB ARG A 50 7.657 -2.164 12.276 1.00 0.00 C ATOM 759 CG ARG A 50 7.646 -3.654 12.625 1.00 0.00 C ATOM 760 CD ARG A 50 8.790 -4.357 11.889 1.00 0.00 C ATOM 761 NE ARG A 50 9.499 -5.146 12.934 1.00 0.00 N ATOM 762 CZ ARG A 50 9.953 -4.554 14.004 1.00 0.00 C ATOM 763 NH1 ARG A 50 10.470 -3.358 13.917 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.887 -5.157 15.159 1.00 0.00 N ATOM 0 H ARG A 50 6.389 -2.688 10.320 1.00 0.00 H new ATOM 0 HA ARG A 50 5.579 -2.046 12.970 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.174 -2.005 11.330 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.204 -1.606 13.036 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.755 -3.788 13.701 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.691 -4.098 12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.411 -5.003 11.097 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.458 -3.635 11.419 1.00 0.00 H new ATOM 0 HE ARG A 50 9.630 -6.150 12.813 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.518 -2.888 13.013 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.825 -2.894 14.753 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.481 -6.090 15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.242 -4.695 15.996 1.00 0.00 H new ATOM 778 N LYS A 51 6.461 0.600 11.279 1.00 0.00 N ATOM 779 CA LYS A 51 6.464 2.088 11.397 1.00 0.00 C ATOM 780 C LYS A 51 5.117 2.593 11.924 1.00 0.00 C ATOM 781 O LYS A 51 5.061 3.388 12.841 1.00 0.00 O ATOM 782 CB LYS A 51 6.711 2.597 9.977 1.00 0.00 C ATOM 783 CG LYS A 51 6.466 4.105 9.920 1.00 0.00 C ATOM 784 CD LYS A 51 7.611 4.841 10.618 1.00 0.00 C ATOM 785 CE LYS A 51 8.545 5.454 9.573 1.00 0.00 C ATOM 786 NZ LYS A 51 9.914 5.047 9.998 1.00 0.00 N ATOM 0 H LYS A 51 6.676 0.233 10.352 1.00 0.00 H new ATOM 0 HA LYS A 51 7.222 2.440 12.097 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.734 2.373 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.051 2.085 9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.390 4.432 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.518 4.348 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.212 5.622 11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.165 4.151 11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.316 5.085 8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.447 6.539 9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.613 5.430 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.106 5.418 10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.979 4.009 10.011 1.00 0.00 H new ATOM 800 N GLY A 52 4.032 2.134 11.362 1.00 0.00 N ATOM 801 CA GLY A 52 2.691 2.589 11.842 1.00 0.00 C ATOM 802 C GLY A 52 2.364 3.989 11.297 1.00 0.00 C ATOM 803 O GLY A 52 1.245 4.263 10.910 1.00 0.00 O ATOM 0 H GLY A 52 4.014 1.465 10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.926 1.881 11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.676 2.605 12.932 1.00 0.00 H new ATOM 807 N GLN A 53 3.320 4.879 11.277 1.00 0.00 N ATOM 808 CA GLN A 53 3.054 6.264 10.771 1.00 0.00 C ATOM 809 C GLN A 53 3.021 6.269 9.249 1.00 0.00 C ATOM 810 O GLN A 53 2.351 7.078 8.636 1.00 0.00 O ATOM 811 CB GLN A 53 4.223 7.138 11.256 1.00 0.00 C ATOM 812 CG GLN A 53 4.741 6.644 12.607 1.00 0.00 C ATOM 813 CD GLN A 53 4.793 7.807 13.596 1.00 0.00 C ATOM 814 OE1 GLN A 53 5.859 8.279 13.940 1.00 0.00 O ATOM 815 NE2 GLN A 53 3.680 8.292 14.071 1.00 0.00 N ATOM 0 H GLN A 53 4.276 4.710 11.589 1.00 0.00 H new ATOM 0 HA GLN A 53 2.095 6.633 11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.029 7.117 10.522 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.897 8.175 11.342 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.092 5.857 12.990 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.734 6.209 12.490 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.786 7.895 13.782 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.703 9.068 14.732 1.00 0.00 H new ATOM 824 N PHE A 54 3.750 5.381 8.635 1.00 0.00 N ATOM 825 CA PHE A 54 3.772 5.339 7.152 1.00 0.00 C ATOM 826 C PHE A 54 2.354 5.523 6.619 1.00 0.00 C ATOM 827 O PHE A 54 2.151 6.058 5.555 1.00 0.00 O ATOM 828 CB PHE A 54 4.320 3.954 6.806 1.00 0.00 C ATOM 829 CG PHE A 54 3.260 2.907 7.058 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.821 2.646 8.362 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.717 2.195 5.986 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.841 1.673 8.590 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.737 1.226 6.217 1.00 0.00 C ATOM 834 CZ PHE A 54 1.299 0.964 7.514 1.00 0.00 C ATOM 0 H PHE A 54 4.331 4.683 9.099 1.00 0.00 H new ATOM 0 HA PHE A 54 4.382 6.127 6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.631 3.926 5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.204 3.742 7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.239 3.196 9.192 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.054 2.393 4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.504 1.470 9.596 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.317 0.678 5.387 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.542 0.214 7.688 1.00 0.00 H new ATOM 844 N ASP A 55 1.377 5.102 7.383 1.00 0.00 N ATOM 845 CA ASP A 55 -0.060 5.253 6.982 1.00 0.00 C ATOM 846 C ASP A 55 -0.539 4.090 6.105 1.00 0.00 C ATOM 847 O ASP A 55 -1.433 3.368 6.486 1.00 0.00 O ATOM 848 CB ASP A 55 -0.171 6.578 6.219 1.00 0.00 C ATOM 849 CG ASP A 55 -1.615 7.080 6.264 1.00 0.00 C ATOM 850 OD1 ASP A 55 -2.197 7.057 7.335 1.00 0.00 O ATOM 851 OD2 ASP A 55 -2.114 7.480 5.224 1.00 0.00 O ATOM 0 H ASP A 55 1.516 4.650 8.287 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.694 5.247 7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.496 7.319 6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.144 6.441 5.185 1.00 0.00 H new ATOM 856 N ILE A 56 0.002 3.912 4.924 1.00 0.00 N ATOM 857 CA ILE A 56 -0.516 2.800 4.058 1.00 0.00 C ATOM 858 C ILE A 56 0.593 1.873 3.560 1.00 0.00 C ATOM 859 O ILE A 56 1.732 2.267 3.425 1.00 0.00 O ATOM 860 CB ILE A 56 -1.169 3.498 2.867 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.892 4.767 3.341 1.00 0.00 C ATOM 862 CG2 ILE A 56 -2.160 2.535 2.220 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.890 5.230 2.277 1.00 0.00 C ATOM 0 H ILE A 56 0.759 4.470 4.528 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.202 2.169 4.623 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.410 3.785 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.412 4.570 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.167 5.556 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.635 3.020 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.633 1.643 1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.921 2.253 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.398 6.131 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.359 5.445 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.624 4.444 2.101 1.00 0.00 H new ATOM 875 N ALA A 57 0.260 0.634 3.260 1.00 0.00 N ATOM 876 CA ALA A 57 1.314 -0.301 2.756 1.00 0.00 C ATOM 877 C ALA A 57 0.698 -1.367 1.862 1.00 0.00 C ATOM 878 O ALA A 57 -0.414 -1.800 2.086 1.00 0.00 O ATOM 879 CB ALA A 57 1.910 -0.954 3.998 1.00 0.00 C ATOM 0 H ALA A 57 -0.677 0.240 3.341 1.00 0.00 H new ATOM 0 HA ALA A 57 2.065 0.226 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.692 -1.654 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.336 -0.186 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.129 -1.490 4.538 1.00 0.00 H new ATOM 885 N ILE A 58 1.394 -1.811 0.849 1.00 0.00 N ATOM 886 CA ILE A 58 0.775 -2.850 -0.005 1.00 0.00 C ATOM 887 C ILE A 58 1.771 -3.914 -0.487 1.00 0.00 C ATOM 888 O ILE A 58 2.354 -3.804 -1.548 1.00 0.00 O ATOM 889 CB ILE A 58 0.199 -2.079 -1.194 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.053 -1.322 -0.746 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.177 -3.057 -2.310 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.676 0.103 -0.340 1.00 0.00 C ATOM 0 H ILE A 58 2.332 -1.509 0.586 1.00 0.00 H new ATOM 0 HA ILE A 58 0.024 -3.408 0.555 1.00 0.00 H new ATOM 0 HB ILE A 58 0.945 -1.376 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.784 -1.299 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.521 -1.838 0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.587 -2.504 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.711 -3.603 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.923 -3.761 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.570 0.639 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.039 0.070 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.228 0.617 -1.190 1.00 0.00 H new ATOM 904 N ILE A 59 1.880 -4.994 0.244 1.00 0.00 N ATOM 905 CA ILE A 59 2.732 -6.129 -0.211 1.00 0.00 C ATOM 906 C ILE A 59 1.843 -6.923 -1.166 1.00 0.00 C ATOM 907 O ILE A 59 1.439 -8.038 -0.901 1.00 0.00 O ATOM 908 CB ILE A 59 3.052 -6.952 1.040 1.00 0.00 C ATOM 909 CG1 ILE A 59 4.223 -6.315 1.781 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.432 -8.379 0.635 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.691 -5.278 2.762 1.00 0.00 C ATOM 0 H ILE A 59 1.413 -5.137 1.139 1.00 0.00 H new ATOM 0 HA ILE A 59 3.662 -5.838 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 59 2.175 -6.977 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.791 -7.078 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.905 -5.846 1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.659 -8.962 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.600 -8.840 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.308 -8.352 -0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.524 -4.820 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.142 -4.510 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.026 -5.761 3.477 1.00 0.00 H new ATOM 923 N ASP A 60 1.482 -6.298 -2.249 1.00 0.00 N ATOM 924 CA ASP A 60 0.550 -6.933 -3.227 1.00 0.00 C ATOM 925 C ASP A 60 1.140 -8.223 -3.807 1.00 0.00 C ATOM 926 O ASP A 60 2.336 -8.396 -3.876 1.00 0.00 O ATOM 927 CB ASP A 60 0.335 -5.841 -4.297 1.00 0.00 C ATOM 928 CG ASP A 60 1.044 -6.184 -5.616 1.00 0.00 C ATOM 929 OD1 ASP A 60 0.822 -7.269 -6.115 1.00 0.00 O ATOM 930 OD2 ASP A 60 1.776 -5.344 -6.112 1.00 0.00 O ATOM 0 H ASP A 60 1.796 -5.362 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.391 -7.248 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.732 -5.717 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.707 -4.887 -3.922 1.00 0.00 H new ATOM 935 N VAL A 61 0.272 -9.108 -4.231 1.00 0.00 N ATOM 936 CA VAL A 61 0.678 -10.414 -4.837 1.00 0.00 C ATOM 937 C VAL A 61 0.903 -11.491 -3.753 1.00 0.00 C ATOM 938 O VAL A 61 2.003 -11.872 -3.417 1.00 0.00 O ATOM 939 CB VAL A 61 1.918 -10.130 -5.704 1.00 0.00 C ATOM 940 CG1 VAL A 61 3.219 -10.511 -4.987 1.00 0.00 C ATOM 941 CG2 VAL A 61 1.813 -10.946 -6.994 1.00 0.00 C ATOM 0 H VAL A 61 -0.738 -8.973 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.108 -10.831 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 61 1.947 -9.060 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.068 -10.294 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.309 -9.935 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.206 -11.575 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.686 -10.754 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.767 -12.007 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.911 -10.659 -7.534 1.00 0.00 H new ATOM 951 N ASN A 62 -0.168 -12.007 -3.221 1.00 0.00 N ATOM 952 CA ASN A 62 -0.060 -13.075 -2.189 1.00 0.00 C ATOM 953 C ASN A 62 -0.750 -14.332 -2.719 1.00 0.00 C ATOM 954 O ASN A 62 -1.643 -14.878 -2.101 1.00 0.00 O ATOM 955 CB ASN A 62 -0.786 -12.530 -0.958 1.00 0.00 C ATOM 956 CG ASN A 62 -0.192 -11.177 -0.567 1.00 0.00 C ATOM 957 OD1 ASN A 62 -0.840 -10.382 0.080 1.00 0.00 O ATOM 958 ND2 ASN A 62 1.027 -10.886 -0.925 1.00 0.00 N ATOM 0 H ASN A 62 -1.121 -11.733 -3.458 1.00 0.00 H new ATOM 0 HA ASN A 62 0.971 -13.334 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.850 -12.424 -1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.694 -13.232 -0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.436 -9.990 -0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.572 -11.555 -1.469 1.00 0.00 H new ATOM 965 N LEU A 63 -0.344 -14.778 -3.877 1.00 0.00 N ATOM 966 CA LEU A 63 -0.965 -15.985 -4.493 1.00 0.00 C ATOM 967 C LEU A 63 0.126 -16.987 -4.876 1.00 0.00 C ATOM 968 O LEU A 63 1.300 -16.676 -4.851 1.00 0.00 O ATOM 969 CB LEU A 63 -1.665 -15.457 -5.751 1.00 0.00 C ATOM 970 CG LEU A 63 -3.144 -15.855 -5.747 1.00 0.00 C ATOM 971 CD1 LEU A 63 -3.759 -15.560 -4.379 1.00 0.00 C ATOM 972 CD2 LEU A 63 -3.886 -15.049 -6.819 1.00 0.00 C ATOM 0 H LEU A 63 0.401 -14.352 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.654 -16.496 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.574 -14.372 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.177 -15.856 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.230 -16.921 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.811 -15.846 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.232 -16.129 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.673 -14.495 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.940 -15.329 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.793 -13.985 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.453 -15.260 -7.797 1.00 0.00 H new ATOM 984 N ASP A 64 -0.245 -18.185 -5.233 1.00 0.00 N ATOM 985 CA ASP A 64 0.784 -19.191 -5.618 1.00 0.00 C ATOM 986 C ASP A 64 1.851 -19.303 -4.527 1.00 0.00 C ATOM 987 O ASP A 64 2.941 -19.785 -4.761 1.00 0.00 O ATOM 988 CB ASP A 64 1.402 -18.645 -6.904 1.00 0.00 C ATOM 989 CG ASP A 64 1.549 -19.776 -7.922 1.00 0.00 C ATOM 990 OD1 ASP A 64 0.965 -20.825 -7.701 1.00 0.00 O ATOM 991 OD2 ASP A 64 2.242 -19.577 -8.906 1.00 0.00 O ATOM 0 H ASP A 64 -1.211 -18.510 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 64 0.358 -20.185 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.775 -17.853 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.376 -18.203 -6.693 1.00 0.00 H new ATOM 996 N GLY A 65 1.550 -18.859 -3.337 1.00 0.00 N ATOM 997 CA GLY A 65 2.555 -18.938 -2.243 1.00 0.00 C ATOM 998 C GLY A 65 2.204 -17.936 -1.147 1.00 0.00 C ATOM 999 O GLY A 65 2.512 -18.136 0.013 1.00 0.00 O ATOM 0 H GLY A 65 0.654 -18.446 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.580 -19.947 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.550 -18.729 -2.635 1.00 0.00 H new ATOM 1003 N GLU A 66 1.567 -16.858 -1.502 1.00 0.00 N ATOM 1004 CA GLU A 66 1.201 -15.838 -0.480 1.00 0.00 C ATOM 1005 C GLU A 66 2.464 -15.155 0.053 1.00 0.00 C ATOM 1006 O GLU A 66 2.650 -15.037 1.247 1.00 0.00 O ATOM 1007 CB GLU A 66 0.498 -16.617 0.633 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.599 -15.750 1.256 1.00 0.00 C ATOM 1009 CD GLU A 66 -0.109 -15.188 2.591 1.00 0.00 C ATOM 1010 OE1 GLU A 66 1.022 -15.468 2.950 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -0.876 -14.488 3.232 1.00 0.00 O ATOM 0 H GLU A 66 1.283 -16.638 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 66 0.562 -15.055 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.066 -17.534 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.219 -16.911 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.861 -14.935 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.502 -16.341 1.408 1.00 0.00 H new ATOM 1018 N PRO A 67 3.293 -14.729 -0.862 1.00 0.00 N ATOM 1019 CA PRO A 67 4.560 -14.047 -0.492 1.00 0.00 C ATOM 1020 C PRO A 67 4.288 -12.689 0.164 1.00 0.00 C ATOM 1021 O PRO A 67 4.530 -11.648 -0.414 1.00 0.00 O ATOM 1022 CB PRO A 67 5.278 -13.880 -1.830 1.00 0.00 C ATOM 1023 CG PRO A 67 4.190 -13.911 -2.853 1.00 0.00 C ATOM 1024 CD PRO A 67 3.132 -14.836 -2.316 1.00 0.00 C ATOM 0 HA PRO A 67 5.146 -14.608 0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.830 -12.941 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.999 -14.681 -1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.785 -12.913 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.568 -14.267 -3.812 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.134 -14.532 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.279 -15.859 -2.662 1.00 0.00 H new ATOM 1032 N SER A 68 3.800 -12.697 1.375 1.00 0.00 N ATOM 1033 CA SER A 68 3.525 -11.413 2.087 1.00 0.00 C ATOM 1034 C SER A 68 4.358 -11.345 3.375 1.00 0.00 C ATOM 1035 O SER A 68 4.273 -10.400 4.134 1.00 0.00 O ATOM 1036 CB SER A 68 2.031 -11.453 2.412 1.00 0.00 C ATOM 1037 OG SER A 68 1.353 -12.204 1.413 1.00 0.00 O ATOM 0 H SER A 68 3.579 -13.540 1.905 1.00 0.00 H new ATOM 0 HA SER A 68 3.785 -10.539 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.872 -11.903 3.392 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.630 -10.441 2.457 1.00 0.00 H new ATOM 0 HG SER A 68 0.488 -12.505 1.761 1.00 0.00 H new ATOM 1043 N TYR A 69 5.169 -12.350 3.611 1.00 0.00 N ATOM 1044 CA TYR A 69 6.029 -12.397 4.832 1.00 0.00 C ATOM 1045 C TYR A 69 5.208 -12.054 6.078 1.00 0.00 C ATOM 1046 O TYR A 69 4.049 -11.703 5.987 1.00 0.00 O ATOM 1047 CB TYR A 69 7.197 -11.399 4.640 1.00 0.00 C ATOM 1048 CG TYR A 69 6.992 -10.473 3.452 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.843 -10.984 2.154 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.961 -9.092 3.663 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.661 -10.108 1.075 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.780 -8.218 2.586 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.628 -8.726 1.292 1.00 0.00 C ATOM 1054 OH TYR A 69 6.450 -7.864 0.229 1.00 0.00 O ATOM 0 H TYR A 69 5.271 -13.155 2.994 1.00 0.00 H new ATOM 0 HA TYR A 69 6.428 -13.401 4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.311 -10.802 5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.125 -11.955 4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.868 -12.051 1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.077 -8.698 4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.546 -10.500 0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.758 -7.151 2.754 1.00 0.00 H new ATOM 0 HH TYR A 69 6.333 -8.381 -0.595 1.00 0.00 H new ATOM 1064 N PRO A 70 5.835 -12.192 7.211 1.00 0.00 N ATOM 1065 CA PRO A 70 5.149 -11.915 8.492 1.00 0.00 C ATOM 1066 C PRO A 70 4.933 -10.412 8.688 1.00 0.00 C ATOM 1067 O PRO A 70 4.341 -9.996 9.657 1.00 0.00 O ATOM 1068 CB PRO A 70 6.108 -12.469 9.541 1.00 0.00 C ATOM 1069 CG PRO A 70 7.453 -12.445 8.886 1.00 0.00 C ATOM 1070 CD PRO A 70 7.225 -12.620 7.406 1.00 0.00 C ATOM 0 HA PRO A 70 4.157 -12.365 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.098 -11.861 10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.830 -13.481 9.835 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.964 -11.504 9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.086 -13.242 9.276 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.916 -12.013 6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.371 -13.656 7.099 1.00 0.00 H new ATOM 1078 N VAL A 71 5.392 -9.589 7.783 1.00 0.00 N ATOM 1079 CA VAL A 71 5.177 -8.124 7.968 1.00 0.00 C ATOM 1080 C VAL A 71 3.854 -7.717 7.317 1.00 0.00 C ATOM 1081 O VAL A 71 3.103 -6.932 7.853 1.00 0.00 O ATOM 1082 CB VAL A 71 6.383 -7.404 7.324 1.00 0.00 C ATOM 1083 CG1 VAL A 71 7.625 -8.302 7.364 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.073 -7.025 5.870 1.00 0.00 C ATOM 0 H VAL A 71 5.897 -9.860 6.939 1.00 0.00 H new ATOM 0 HA VAL A 71 5.112 -7.852 9.021 1.00 0.00 H new ATOM 0 HB VAL A 71 6.578 -6.496 7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.466 -7.781 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.867 -8.543 8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.426 -9.222 6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.935 -6.519 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.854 -7.926 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.210 -6.360 5.843 1.00 0.00 H new ATOM 1094 N ALA A 72 3.557 -8.269 6.175 1.00 0.00 N ATOM 1095 CA ALA A 72 2.278 -7.946 5.492 1.00 0.00 C ATOM 1096 C ALA A 72 1.152 -8.721 6.157 1.00 0.00 C ATOM 1097 O ALA A 72 0.137 -8.172 6.537 1.00 0.00 O ATOM 1098 CB ALA A 72 2.473 -8.435 4.069 1.00 0.00 C ATOM 0 H ALA A 72 4.152 -8.936 5.683 1.00 0.00 H new ATOM 0 HA ALA A 72 2.027 -6.886 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.572 -8.236 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.317 -7.914 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.670 -9.507 4.076 1.00 0.00 H new ATOM 1104 N ASP A 73 1.333 -10.002 6.308 1.00 0.00 N ATOM 1105 CA ASP A 73 0.287 -10.822 6.960 1.00 0.00 C ATOM 1106 C ASP A 73 -0.018 -10.248 8.340 1.00 0.00 C ATOM 1107 O ASP A 73 -1.150 -9.949 8.667 1.00 0.00 O ATOM 1108 CB ASP A 73 0.894 -12.211 7.085 1.00 0.00 C ATOM 1109 CG ASP A 73 0.532 -13.049 5.857 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.514 -12.801 5.282 1.00 0.00 O ATOM 1111 OD2 ASP A 73 1.308 -13.927 5.514 1.00 0.00 O ATOM 0 H ASP A 73 2.162 -10.514 6.006 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.646 -10.839 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.977 -12.137 7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.528 -12.698 7.989 1.00 0.00 H new ATOM 1116 N ILE A 74 0.993 -10.076 9.146 1.00 0.00 N ATOM 1117 CA ILE A 74 0.766 -9.500 10.500 1.00 0.00 C ATOM 1118 C ILE A 74 0.001 -8.193 10.347 1.00 0.00 C ATOM 1119 O ILE A 74 -0.962 -7.929 11.039 1.00 0.00 O ATOM 1120 CB ILE A 74 2.162 -9.242 11.060 1.00 0.00 C ATOM 1121 CG1 ILE A 74 2.752 -10.557 11.577 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.087 -8.236 12.210 1.00 0.00 C ATOM 1123 CD1 ILE A 74 4.115 -10.294 12.219 1.00 0.00 C ATOM 0 H ILE A 74 1.962 -10.308 8.927 1.00 0.00 H new ATOM 0 HA ILE A 74 0.190 -10.153 11.156 1.00 0.00 H new ATOM 0 HB ILE A 74 2.795 -8.837 10.270 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.077 -11.008 12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.857 -11.267 10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.088 -8.058 12.604 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.668 -7.298 11.846 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.452 -8.634 13.001 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.532 -11.232 12.586 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.789 -9.863 11.479 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.997 -9.600 13.051 1.00 0.00 H new ATOM 1135 N LEU A 75 0.422 -7.383 9.418 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.270 -6.097 9.173 1.00 0.00 C ATOM 1137 C LEU A 75 -1.703 -6.381 8.705 1.00 0.00 C ATOM 1138 O LEU A 75 -2.542 -5.504 8.660 1.00 0.00 O ATOM 1139 CB LEU A 75 0.566 -5.434 8.078 1.00 0.00 C ATOM 1140 CG LEU A 75 0.299 -3.932 8.050 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.108 -3.251 9.157 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.732 -3.378 6.693 1.00 0.00 C ATOM 0 H LEU A 75 1.224 -7.562 8.814 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.352 -5.459 10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.625 -5.619 8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.324 -5.872 7.110 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.763 -3.741 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.918 -2.178 9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.812 -3.655 10.125 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.170 -3.435 8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.546 -2.305 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.796 -3.566 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.164 -3.868 5.902 1.00 0.00 H new ATOM 1154 N ALA A 76 -1.982 -7.615 8.366 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.347 -7.989 7.911 1.00 0.00 C ATOM 1156 C ALA A 76 -4.190 -8.481 9.095 1.00 0.00 C ATOM 1157 O ALA A 76 -5.295 -8.025 9.312 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.126 -9.116 6.901 1.00 0.00 C ATOM 0 H ALA A 76 -1.312 -8.384 8.387 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.884 -7.146 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.088 -9.452 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.511 -8.752 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.621 -9.949 7.390 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.677 -9.407 9.863 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.452 -9.923 11.034 1.00 0.00 C ATOM 1166 C GLU A 77 -4.885 -8.749 11.918 1.00 0.00 C ATOM 1167 O GLU A 77 -5.840 -8.832 12.666 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.485 -10.838 11.791 1.00 0.00 C ATOM 1169 CG GLU A 77 -2.763 -11.761 10.804 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.619 -13.156 11.414 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.073 -13.252 12.501 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -3.052 -14.105 10.782 1.00 0.00 O ATOM 0 H GLU A 77 -2.757 -9.828 9.732 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.353 -10.457 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.759 -10.239 12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.031 -11.431 12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.321 -11.818 9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.780 -11.355 10.564 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.189 -7.652 11.814 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.531 -6.445 12.610 1.00 0.00 C ATOM 1181 C ARG A 78 -4.328 -5.214 11.727 1.00 0.00 C ATOM 1182 O ARG A 78 -3.241 -4.683 11.619 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.558 -6.441 13.791 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.123 -6.523 13.271 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.537 -7.897 13.605 1.00 0.00 C ATOM 1186 NE ARG A 78 -1.725 -8.054 15.074 1.00 0.00 N ATOM 1187 CZ ARG A 78 -1.988 -9.231 15.577 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -1.207 -10.242 15.314 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -3.033 -9.397 16.340 1.00 0.00 N ATOM 0 H ARG A 78 -3.383 -7.541 11.199 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.562 -6.440 12.963 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.691 -5.535 14.382 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.766 -7.284 14.450 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.106 -6.361 12.193 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.516 -5.738 13.722 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.048 -8.687 13.056 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.482 -7.952 13.335 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.648 -7.243 15.688 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.391 -10.114 14.716 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.412 -11.161 15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.646 -8.608 16.544 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.237 -10.316 16.732 1.00 0.00 H new ATOM 1203 N ASN A 79 -5.360 -4.790 11.055 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.228 -3.634 10.131 1.00 0.00 C ATOM 1205 C ASN A 79 -5.432 -2.288 10.828 1.00 0.00 C ATOM 1206 O ASN A 79 -6.489 -1.989 11.348 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.322 -3.848 9.087 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.868 -4.895 8.067 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -4.650 -4.852 7.601 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 -6.631 -5.764 7.693 1.00 0.00 N flip ATOM 0 H ASN A 79 -6.294 -5.197 11.107 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.224 -3.593 9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.242 -4.175 9.572 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.545 -2.908 8.582 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.583 -5.798 8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.319 -6.459 7.015 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.432 -1.456 10.781 1.00 0.00 N ATOM 1218 CA VAL A 80 -4.546 -0.091 11.369 1.00 0.00 C ATOM 1219 C VAL A 80 -4.888 0.850 10.200 1.00 0.00 C ATOM 1220 O VAL A 80 -5.306 0.364 9.167 1.00 0.00 O ATOM 1221 CB VAL A 80 -3.160 0.189 11.978 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.622 -1.080 12.644 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.181 0.632 10.882 1.00 0.00 C ATOM 0 H VAL A 80 -3.529 -1.665 10.355 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.310 0.033 12.137 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.258 0.982 12.719 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.641 -0.877 13.074 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.306 -1.395 13.433 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.536 -1.873 11.901 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.204 0.827 11.324 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.090 -0.156 10.135 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.553 1.540 10.408 1.00 0.00 H new ATOM 1233 N PRO A 81 -4.702 2.144 10.330 1.00 0.00 N ATOM 1234 CA PRO A 81 -5.013 3.020 9.176 1.00 0.00 C ATOM 1235 C PRO A 81 -4.077 2.647 8.029 1.00 0.00 C ATOM 1236 O PRO A 81 -2.871 2.680 8.169 1.00 0.00 O ATOM 1237 CB PRO A 81 -4.766 4.428 9.705 1.00 0.00 C ATOM 1238 CG PRO A 81 -3.828 4.237 10.851 1.00 0.00 C ATOM 1239 CD PRO A 81 -4.199 2.917 11.476 1.00 0.00 C ATOM 0 HA PRO A 81 -6.028 2.929 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.331 5.069 8.939 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.694 4.900 10.026 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.793 4.230 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.921 5.050 11.571 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.340 2.435 11.943 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.958 3.035 12.249 1.00 0.00 H new ATOM 1247 N PHE A 82 -4.623 2.238 6.913 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.752 1.801 5.783 1.00 0.00 C ATOM 1249 C PHE A 82 -4.590 1.362 4.575 1.00 0.00 C ATOM 1250 O PHE A 82 -5.687 1.828 4.341 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.997 0.586 6.352 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.876 -0.650 6.260 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -5.217 -0.586 6.660 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -3.356 -1.847 5.758 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -6.036 -1.716 6.561 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -4.175 -2.979 5.661 1.00 0.00 C ATOM 1257 CZ PHE A 82 -5.515 -2.913 6.060 1.00 0.00 C ATOM 0 H PHE A 82 -5.626 2.188 6.736 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.098 2.601 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.072 0.428 5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.720 0.771 7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.620 0.339 7.046 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.324 -1.899 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.069 -1.664 6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.772 -3.905 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.146 -3.786 5.981 1.00 0.00 H new ATOM 1267 N ILE A 83 -4.059 0.427 3.843 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.754 -0.146 2.662 1.00 0.00 C ATOM 1269 C ILE A 83 -3.880 -1.280 2.136 1.00 0.00 C ATOM 1270 O ILE A 83 -2.670 -1.291 2.350 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.910 0.993 1.652 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -6.381 1.415 1.603 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.466 0.549 0.250 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.497 2.818 1.003 1.00 0.00 C ATOM 0 H ILE A 83 -3.140 0.023 4.022 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.741 -0.552 2.882 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.283 1.827 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.953 0.705 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.806 1.402 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.587 1.377 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.419 0.248 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.077 -0.293 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.545 3.114 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.940 3.524 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.089 2.816 -0.008 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.481 -2.241 1.490 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.703 -3.403 0.989 1.00 0.00 C ATOM 1288 C PHE A 84 -4.425 -4.069 -0.194 1.00 0.00 C ATOM 1289 O PHE A 84 -5.638 -3.967 -0.365 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.678 -4.324 2.209 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.518 -5.302 2.179 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.604 -5.315 1.120 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.372 -6.218 3.233 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.554 -6.243 1.115 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.319 -7.144 3.224 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.414 -7.157 2.164 1.00 0.00 C ATOM 0 H PHE A 84 -5.480 -2.269 1.288 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.711 -3.146 0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.616 -3.720 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.615 -4.879 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.707 -4.611 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.074 -6.209 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.151 -6.252 0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.209 -7.846 4.037 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.395 -7.873 2.153 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.704 -4.766 -1.016 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.363 -5.433 -2.146 1.00 0.00 C ATOM 1308 C ALA A 85 -3.491 -6.561 -2.700 1.00 0.00 C ATOM 1309 O ALA A 85 -2.337 -6.372 -3.026 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.578 -4.342 -3.194 1.00 0.00 C ATOM 0 H ALA A 85 -2.695 -4.899 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.304 -5.895 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.068 -4.769 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.205 -3.554 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.615 -3.923 -3.486 1.00 0.00 H new ATOM 1316 N THR A 86 -4.049 -7.731 -2.810 1.00 0.00 N ATOM 1317 CA THR A 86 -3.285 -8.889 -3.344 1.00 0.00 C ATOM 1318 C THR A 86 -4.238 -10.061 -3.575 1.00 0.00 C ATOM 1319 O THR A 86 -5.437 -9.929 -3.442 1.00 0.00 O ATOM 1320 CB THR A 86 -2.226 -9.253 -2.286 1.00 0.00 C ATOM 1321 OG1 THR A 86 -1.964 -10.641 -2.357 1.00 0.00 O ATOM 1322 CG2 THR A 86 -2.685 -8.914 -0.865 1.00 0.00 C ATOM 0 H THR A 86 -5.013 -7.937 -2.550 1.00 0.00 H new ATOM 0 HA THR A 86 -2.807 -8.651 -4.294 1.00 0.00 H new ATOM 0 HB THR A 86 -1.331 -8.668 -2.499 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.685 -11.133 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.905 -9.189 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.882 -7.844 -0.792 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.596 -9.467 -0.635 1.00 0.00 H new ATOM 1330 N GLY A 87 -3.718 -11.201 -3.925 1.00 0.00 N ATOM 1331 CA GLY A 87 -4.591 -12.382 -4.166 1.00 0.00 C ATOM 1332 C GLY A 87 -5.686 -12.449 -3.098 1.00 0.00 C ATOM 1333 O GLY A 87 -6.828 -12.739 -3.393 1.00 0.00 O ATOM 0 H GLY A 87 -2.720 -11.368 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.041 -12.316 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.996 -13.295 -4.146 1.00 0.00 H new ATOM 1337 N TYR A 88 -5.359 -12.186 -1.857 1.00 0.00 N ATOM 1338 CA TYR A 88 -6.410 -12.245 -0.801 1.00 0.00 C ATOM 1339 C TYR A 88 -7.552 -11.287 -1.169 1.00 0.00 C ATOM 1340 O TYR A 88 -8.703 -11.532 -0.866 1.00 0.00 O ATOM 1341 CB TYR A 88 -5.696 -11.888 0.515 1.00 0.00 C ATOM 1342 CG TYR A 88 -5.797 -10.416 0.842 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -5.311 -9.452 -0.048 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -6.349 -10.021 2.066 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -5.387 -8.090 0.286 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -6.420 -8.666 2.400 1.00 0.00 C ATOM 1347 CZ TYR A 88 -5.941 -7.700 1.510 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.012 -6.362 1.839 1.00 0.00 O ATOM 0 H TYR A 88 -4.424 -11.937 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.875 -13.225 -0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.128 -12.469 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.646 -12.171 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.878 -9.755 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.721 -10.765 2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.018 -7.344 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.845 -8.365 3.346 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.953 -6.261 2.812 1.00 0.00 H new ATOM 1358 N GLY A 89 -7.247 -10.226 -1.871 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.319 -9.282 -2.319 1.00 0.00 C ATOM 1360 C GLY A 89 -9.111 -8.749 -1.127 1.00 0.00 C ATOM 1361 O GLY A 89 -10.295 -8.497 -1.220 1.00 0.00 O ATOM 0 H GLY A 89 -6.301 -9.971 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.872 -8.451 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.992 -9.791 -3.009 1.00 0.00 H new ATOM 1365 N SER A 90 -8.455 -8.563 -0.020 1.00 0.00 N ATOM 1366 CA SER A 90 -9.122 -8.026 1.202 1.00 0.00 C ATOM 1367 C SER A 90 -9.933 -9.113 1.912 1.00 0.00 C ATOM 1368 O SER A 90 -10.076 -10.219 1.429 1.00 0.00 O ATOM 1369 CB SER A 90 -10.037 -6.897 0.723 1.00 0.00 C ATOM 1370 OG SER A 90 -11.365 -7.391 0.603 1.00 0.00 O ATOM 0 H SER A 90 -7.462 -8.764 0.095 1.00 0.00 H new ATOM 0 HA SER A 90 -8.387 -7.668 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.008 -6.065 1.427 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.690 -6.514 -0.237 1.00 0.00 H new ATOM 0 HG SER A 90 -11.438 -7.940 -0.205 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.464 -8.795 3.060 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.274 -9.779 3.829 1.00 0.00 C ATOM 1378 C LYS A 91 -11.893 -9.075 5.041 1.00 0.00 C ATOM 1379 O LYS A 91 -12.970 -8.520 4.962 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.291 -10.880 4.257 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.931 -10.272 4.626 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.456 -10.869 5.955 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.392 -9.964 6.586 1.00 0.00 C ATOM 1384 NZ LYS A 91 -6.278 -9.922 5.597 1.00 0.00 N ATOM 0 H LYS A 91 -10.369 -7.881 3.504 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.093 -10.203 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.695 -11.426 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.167 -11.600 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.203 -10.476 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.014 -9.188 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.300 -10.980 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.046 -11.865 5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.787 -8.966 6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.054 -10.362 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.894 -8.957 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.527 -10.578 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.634 -10.202 4.661 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.205 -9.051 6.148 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.736 -8.337 7.338 1.00 0.00 C ATOM 1400 C GLY A 92 -11.086 -6.953 7.370 1.00 0.00 C ATOM 1401 O GLY A 92 -11.150 -6.238 8.351 1.00 0.00 O ATOM 0 H GLY A 92 -10.297 -9.496 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.821 -8.250 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.508 -8.889 8.250 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.451 -6.583 6.285 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.774 -5.261 6.201 1.00 0.00 C ATOM 1407 C LEU A 93 -10.624 -4.182 6.867 1.00 0.00 C ATOM 1408 O LEU A 93 -11.522 -3.632 6.271 1.00 0.00 O ATOM 1409 CB LEU A 93 -9.623 -5.022 4.689 1.00 0.00 C ATOM 1410 CG LEU A 93 -9.333 -3.546 4.351 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -10.639 -2.843 3.985 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.676 -2.815 5.528 1.00 0.00 C ATOM 0 H LEU A 93 -10.375 -7.154 5.443 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.814 -5.233 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.815 -5.645 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.536 -5.335 4.182 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.641 -3.523 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.436 -1.799 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.086 -3.333 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.328 -2.894 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.487 -1.778 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.340 -2.845 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.733 -3.302 5.778 1.00 0.00 H new ATOM 1424 N ASP A 94 -10.322 -3.867 8.097 1.00 0.00 N ATOM 1425 CA ASP A 94 -11.084 -2.804 8.814 1.00 0.00 C ATOM 1426 C ASP A 94 -10.193 -1.577 9.007 1.00 0.00 C ATOM 1427 O ASP A 94 -8.998 -1.691 9.192 1.00 0.00 O ATOM 1428 CB ASP A 94 -11.467 -3.418 10.162 1.00 0.00 C ATOM 1429 CG ASP A 94 -10.227 -4.031 10.814 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.830 -5.105 10.394 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.695 -3.415 11.723 1.00 0.00 O ATOM 0 H ASP A 94 -9.576 -4.303 8.639 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.966 -2.478 8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.894 -2.655 10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.232 -4.181 10.022 1.00 0.00 H new ATOM 1436 N THR A 95 -10.761 -0.404 8.958 1.00 0.00 N ATOM 1437 CA THR A 95 -9.942 0.831 9.132 1.00 0.00 C ATOM 1438 C THR A 95 -10.814 2.063 8.824 1.00 0.00 C ATOM 1439 O THR A 95 -11.900 1.946 8.292 1.00 0.00 O ATOM 1440 CB THR A 95 -8.771 0.652 8.134 1.00 0.00 C ATOM 1441 OG1 THR A 95 -7.609 0.232 8.839 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.449 1.950 7.398 1.00 0.00 C ATOM 0 H THR A 95 -11.757 -0.246 8.805 1.00 0.00 H new ATOM 0 HA THR A 95 -9.564 0.982 10.143 1.00 0.00 H new ATOM 0 HB THR A 95 -9.074 -0.096 7.401 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.914 0.919 8.763 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.622 1.781 6.708 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.326 2.279 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.169 2.717 8.119 1.00 0.00 H new ATOM 1450 N ARG A 96 -10.354 3.238 9.168 1.00 0.00 N ATOM 1451 CA ARG A 96 -11.154 4.482 8.914 1.00 0.00 C ATOM 1452 C ARG A 96 -11.293 4.787 7.415 1.00 0.00 C ATOM 1453 O ARG A 96 -11.736 5.853 7.034 1.00 0.00 O ATOM 1454 CB ARG A 96 -10.348 5.588 9.588 1.00 0.00 C ATOM 1455 CG ARG A 96 -10.568 5.528 11.102 1.00 0.00 C ATOM 1456 CD ARG A 96 -11.992 5.993 11.431 1.00 0.00 C ATOM 1457 NE ARG A 96 -11.827 7.353 12.017 1.00 0.00 N ATOM 1458 CZ ARG A 96 -12.827 7.932 12.629 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -13.716 8.601 11.944 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -12.937 7.846 13.927 1.00 0.00 N ATOM 0 H ARG A 96 -9.452 3.394 9.618 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.170 4.383 9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.289 5.472 9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.653 6.561 9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.414 4.511 11.463 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.841 6.160 11.611 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.615 6.021 10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.476 5.316 12.135 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.931 7.834 11.940 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.631 8.672 10.930 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.495 9.052 12.423 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.243 7.327 14.464 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.717 8.298 14.404 1.00 0.00 H new ATOM 1474 N TYR A 97 -10.905 3.884 6.562 1.00 0.00 N ATOM 1475 CA TYR A 97 -10.999 4.146 5.104 1.00 0.00 C ATOM 1476 C TYR A 97 -12.356 3.684 4.562 1.00 0.00 C ATOM 1477 O TYR A 97 -12.578 3.688 3.374 1.00 0.00 O ATOM 1478 CB TYR A 97 -9.864 3.320 4.494 1.00 0.00 C ATOM 1479 CG TYR A 97 -8.522 3.969 4.791 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -8.195 4.387 6.094 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -7.597 4.152 3.755 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -6.956 4.981 6.352 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -6.357 4.747 4.018 1.00 0.00 C ATOM 1484 CZ TYR A 97 -6.036 5.161 5.315 1.00 0.00 C ATOM 1485 OH TYR A 97 -4.812 5.746 5.570 1.00 0.00 O ATOM 0 H TYR A 97 -10.525 2.972 6.814 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.915 5.206 4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.884 2.308 4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.005 3.236 3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.903 4.249 6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.841 3.834 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.709 5.301 7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.646 4.887 3.217 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.293 5.794 4.740 1.00 0.00 H new ATOM 1495 N SER A 98 -13.257 3.290 5.429 1.00 0.00 N ATOM 1496 CA SER A 98 -14.611 2.823 4.978 1.00 0.00 C ATOM 1497 C SER A 98 -14.508 1.463 4.274 1.00 0.00 C ATOM 1498 O SER A 98 -15.460 0.977 3.696 1.00 0.00 O ATOM 1499 CB SER A 98 -15.126 3.899 4.016 1.00 0.00 C ATOM 1500 OG SER A 98 -16.249 4.550 4.598 1.00 0.00 O ATOM 0 H SER A 98 -13.113 3.271 6.439 1.00 0.00 H new ATOM 0 HA SER A 98 -15.289 2.687 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.339 4.623 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.405 3.448 3.064 1.00 0.00 H new ATOM 0 HG SER A 98 -16.580 5.240 3.986 1.00 0.00 H new ATOM 1506 N ASN A 99 -13.366 0.836 4.339 1.00 0.00 N ATOM 1507 CA ASN A 99 -13.194 -0.501 3.694 1.00 0.00 C ATOM 1508 C ASN A 99 -13.863 -0.576 2.311 1.00 0.00 C ATOM 1509 O ASN A 99 -14.911 -1.171 2.153 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.864 -1.478 4.655 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.033 -1.612 5.930 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.387 -2.373 6.807 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.944 -0.900 6.081 1.00 0.00 N ATOM 0 H ASN A 99 -12.537 1.193 4.814 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.140 -0.720 3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.867 -1.129 4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.973 -2.452 4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.393 -0.985 6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.646 -0.261 5.344 1.00 0.00 H new ATOM 1520 N ILE A 100 -13.244 -0.016 1.302 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.834 -0.107 -0.078 1.00 0.00 C ATOM 1522 C ILE A 100 -12.776 -0.193 -1.211 1.00 0.00 C ATOM 1523 O ILE A 100 -13.043 -0.838 -2.205 1.00 0.00 O ATOM 1524 CB ILE A 100 -14.759 1.106 -0.300 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -14.073 2.428 0.044 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -16.025 0.956 0.544 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -13.894 2.547 1.555 1.00 0.00 C ATOM 0 H ILE A 100 -12.364 0.496 1.368 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.393 -1.041 -0.130 1.00 0.00 H new ATOM 0 HB ILE A 100 -15.013 1.129 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.103 2.483 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.668 3.263 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.674 1.817 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.550 0.046 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.755 0.898 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.404 3.492 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.869 2.513 2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.280 1.721 1.915 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.619 0.439 -1.084 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.623 0.365 -2.168 1.00 0.00 C ATOM 1541 C PRO A 101 -9.603 -0.746 -1.885 1.00 0.00 C ATOM 1542 O PRO A 101 -8.410 -0.518 -1.914 1.00 0.00 O ATOM 1543 CB PRO A 101 -9.947 1.722 -2.093 1.00 0.00 C ATOM 1544 CG PRO A 101 -10.111 2.182 -0.670 1.00 0.00 C ATOM 1545 CD PRO A 101 -11.101 1.264 0.008 1.00 0.00 C ATOM 0 HA PRO A 101 -11.059 0.144 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.893 1.650 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.405 2.426 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.153 2.160 -0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.466 3.212 -0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.622 0.656 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.897 1.826 0.497 1.00 0.00 H new ATOM 1553 N LEU A 102 -10.051 -1.943 -1.619 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.080 -3.046 -1.348 1.00 0.00 C ATOM 1555 C LEU A 102 -9.282 -4.173 -2.363 1.00 0.00 C ATOM 1556 O LEU A 102 -10.386 -4.443 -2.783 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.317 -3.520 0.108 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.812 -3.610 0.482 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.424 -2.215 0.623 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.581 -4.402 -0.576 1.00 0.00 C ATOM 0 H LEU A 102 -11.036 -2.205 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.048 -2.710 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.855 -4.498 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.818 -2.834 0.792 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.887 -4.124 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.478 -2.305 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.900 -1.665 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.331 -1.680 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.633 -4.456 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.487 -3.906 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.172 -5.410 -0.645 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.219 -4.817 -2.786 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.383 -5.909 -3.811 1.00 0.00 C ATOM 1574 C LEU A 103 -7.029 -6.496 -4.223 1.00 0.00 C ATOM 1575 O LEU A 103 -6.160 -6.685 -3.411 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.064 -5.243 -5.025 1.00 0.00 C ATOM 1577 CG LEU A 103 -8.114 -4.259 -5.728 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -8.879 -3.553 -6.848 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -7.598 -3.210 -4.739 1.00 0.00 C ATOM 0 H LEU A 103 -7.263 -4.642 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.971 -6.734 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.385 -6.009 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.960 -4.716 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.264 -4.810 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.216 -2.852 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.241 -4.292 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.725 -3.012 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.927 -2.523 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.440 -2.654 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.059 -3.705 -3.931 1.00 0.00 H new ATOM 1591 N THR A 104 -6.844 -6.790 -5.484 1.00 0.00 N ATOM 1592 CA THR A 104 -5.543 -7.351 -5.935 1.00 0.00 C ATOM 1593 C THR A 104 -4.777 -6.287 -6.729 1.00 0.00 C ATOM 1594 O THR A 104 -4.177 -5.408 -6.150 1.00 0.00 O ATOM 1595 CB THR A 104 -5.890 -8.574 -6.803 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.304 -9.642 -5.964 1.00 0.00 O ATOM 1597 CG2 THR A 104 -4.664 -9.012 -7.612 1.00 0.00 C ATOM 0 H THR A 104 -7.540 -6.664 -6.219 1.00 0.00 H new ATOM 0 HA THR A 104 -4.902 -7.647 -5.104 1.00 0.00 H new ATOM 0 HB THR A 104 -6.693 -8.307 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.099 -9.423 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 104 -4.921 -9.878 -8.222 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.344 -8.195 -8.258 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.854 -9.275 -6.932 1.00 0.00 H new ATOM 1605 N LYS A 105 -4.788 -6.350 -8.039 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.045 -5.332 -8.841 1.00 0.00 C ATOM 1607 C LYS A 105 -4.633 -5.220 -10.251 1.00 0.00 C ATOM 1608 O LYS A 105 -3.902 -5.126 -11.215 1.00 0.00 O ATOM 1609 CB LYS A 105 -2.609 -5.856 -8.918 1.00 0.00 C ATOM 1610 CG LYS A 105 -1.891 -5.604 -7.596 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.748 -6.932 -6.847 1.00 0.00 C ATOM 1612 CE LYS A 105 -1.088 -7.961 -7.776 1.00 0.00 C ATOM 1613 NZ LYS A 105 -0.577 -9.028 -6.885 1.00 0.00 N ATOM 0 H LYS A 105 -5.278 -7.060 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.104 -4.342 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.614 -6.923 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.076 -5.363 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.909 -5.166 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.452 -4.890 -6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.146 -6.795 -5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.726 -7.289 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.806 -8.359 -8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.280 -7.509 -8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.681 -9.951 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.428 -8.856 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.118 -9.028 -5.997 1.00 0.00 H new ATOM 1627 N PRO A 106 -5.937 -5.209 -10.332 1.00 0.00 N ATOM 1628 CA PRO A 106 -6.600 -5.080 -11.650 1.00 0.00 C ATOM 1629 C PRO A 106 -6.364 -3.668 -12.187 1.00 0.00 C ATOM 1630 O PRO A 106 -6.676 -3.356 -13.319 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.076 -5.315 -11.338 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.217 -4.958 -9.894 1.00 0.00 C ATOM 1633 CD PRO A 106 -6.908 -5.304 -9.235 1.00 0.00 C ATOM 0 HA PRO A 106 -6.229 -5.773 -12.405 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.717 -4.695 -11.964 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.360 -6.352 -11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.441 -3.898 -9.777 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.039 -5.510 -9.437 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.670 -4.612 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -6.928 -6.304 -8.802 1.00 0.00 H new ATOM 1641 N PHE A 107 -5.805 -2.818 -11.368 1.00 0.00 N ATOM 1642 CA PHE A 107 -5.529 -1.419 -11.803 1.00 0.00 C ATOM 1643 C PHE A 107 -6.773 -0.808 -12.450 1.00 0.00 C ATOM 1644 O PHE A 107 -7.810 -1.437 -12.534 1.00 0.00 O ATOM 1645 CB PHE A 107 -4.381 -1.533 -12.804 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.070 -1.476 -12.056 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -2.974 -2.024 -10.771 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.953 -0.870 -12.641 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.764 -1.968 -10.071 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.741 -0.814 -11.942 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.647 -1.362 -10.657 1.00 0.00 C ATOM 0 H PHE A 107 -5.526 -3.034 -10.411 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.267 -0.768 -10.969 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.457 -2.468 -13.360 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.435 -0.724 -13.532 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.836 -2.491 -10.319 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.025 -0.446 -13.631 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.692 -2.392 -9.080 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.122 -0.348 -12.394 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.288 -1.317 -10.118 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.687 0.425 -12.881 1.00 0.00 N ATOM 1662 CA LEU A 108 -7.868 1.107 -13.504 1.00 0.00 C ATOM 1663 C LEU A 108 -8.861 1.555 -12.410 1.00 0.00 C ATOM 1664 O LEU A 108 -9.448 2.615 -12.494 1.00 0.00 O ATOM 1665 CB LEU A 108 -8.482 0.075 -14.477 1.00 0.00 C ATOM 1666 CG LEU A 108 -9.887 -0.348 -14.028 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -10.889 0.752 -14.382 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -10.283 -1.643 -14.740 1.00 0.00 C ATOM 0 H LEU A 108 -5.843 0.995 -12.829 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.593 2.014 -14.043 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.531 0.501 -15.479 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.837 -0.802 -14.535 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.889 -0.510 -12.950 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.887 0.451 -14.063 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.609 1.676 -13.876 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.886 0.914 -15.460 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.281 -1.943 -14.421 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.280 -1.481 -15.818 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.570 -2.429 -14.489 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.051 0.755 -11.393 1.00 0.00 N ATOM 1681 CA ASP A 109 -9.993 1.124 -10.297 1.00 0.00 C ATOM 1682 C ASP A 109 -9.465 0.586 -8.958 1.00 0.00 C ATOM 1683 O ASP A 109 -10.163 0.567 -7.964 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.317 0.457 -10.663 1.00 0.00 C ATOM 1685 CG ASP A 109 -11.171 -1.062 -10.560 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -10.184 -1.576 -11.059 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -12.048 -1.684 -9.983 1.00 0.00 O ATOM 0 H ASP A 109 -8.589 -0.147 -11.275 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.106 2.203 -10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.107 0.803 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.609 0.737 -11.675 1.00 0.00 H new ATOM 1692 N SER A 110 -8.242 0.114 -8.947 1.00 0.00 N ATOM 1693 CA SER A 110 -7.656 -0.470 -7.700 1.00 0.00 C ATOM 1694 C SER A 110 -6.919 0.578 -6.841 1.00 0.00 C ATOM 1695 O SER A 110 -7.530 1.326 -6.104 1.00 0.00 O ATOM 1696 CB SER A 110 -6.676 -1.518 -8.215 1.00 0.00 C ATOM 1697 OG SER A 110 -6.116 -2.223 -7.113 1.00 0.00 O ATOM 0 H SER A 110 -7.620 0.108 -9.755 1.00 0.00 H new ATOM 0 HA SER A 110 -8.430 -0.876 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.186 -2.212 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.886 -1.040 -8.794 1.00 0.00 H new ATOM 0 HG SER A 110 -5.487 -2.898 -7.442 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.607 0.608 -6.907 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.819 1.567 -6.077 1.00 0.00 C ATOM 1705 C GLU A 111 -5.518 2.920 -5.968 1.00 0.00 C ATOM 1706 O GLU A 111 -5.756 3.418 -4.886 1.00 0.00 O ATOM 1707 CB GLU A 111 -3.485 1.714 -6.810 1.00 0.00 C ATOM 1708 CG GLU A 111 -2.726 2.920 -6.254 1.00 0.00 C ATOM 1709 CD GLU A 111 -2.899 4.111 -7.198 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.942 3.890 -8.397 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -2.984 5.225 -6.705 1.00 0.00 O ATOM 0 H GLU A 111 -5.047 0.002 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.699 1.207 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.890 0.809 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.657 1.841 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.099 3.172 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.669 2.679 -6.145 1.00 0.00 H new ATOM 1718 N LEU A 112 -5.835 3.527 -7.074 1.00 0.00 N ATOM 1719 CA LEU A 112 -6.506 4.861 -7.018 1.00 0.00 C ATOM 1720 C LEU A 112 -7.587 4.865 -5.936 1.00 0.00 C ATOM 1721 O LEU A 112 -7.490 5.572 -4.952 1.00 0.00 O ATOM 1722 CB LEU A 112 -7.124 5.091 -8.399 1.00 0.00 C ATOM 1723 CG LEU A 112 -7.534 3.779 -9.060 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -8.872 3.995 -9.759 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -6.478 3.376 -10.093 1.00 0.00 C ATOM 0 H LEU A 112 -5.662 3.164 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.799 5.652 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.996 5.739 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.408 5.611 -9.036 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.621 2.990 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.185 3.068 -10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.621 4.295 -9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.767 4.777 -10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.771 2.438 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.395 4.154 -10.852 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.515 3.248 -9.598 1.00 0.00 H new ATOM 1737 N GLU A 113 -8.608 4.078 -6.107 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.692 4.021 -5.089 1.00 0.00 C ATOM 1739 C GLU A 113 -9.098 4.041 -3.680 1.00 0.00 C ATOM 1740 O GLU A 113 -9.635 4.650 -2.775 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.392 2.698 -5.370 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.261 2.852 -6.615 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.251 1.689 -6.700 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.915 0.616 -6.227 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.327 1.892 -7.236 1.00 0.00 O ATOM 0 H GLU A 113 -8.740 3.467 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.374 4.869 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.657 1.907 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.005 2.407 -4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.800 3.799 -6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.635 2.875 -7.507 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.991 3.381 -3.492 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.349 3.357 -2.147 1.00 0.00 C ATOM 1754 C ALA A 114 -6.965 4.778 -1.722 1.00 0.00 C ATOM 1755 O ALA A 114 -6.966 5.108 -0.552 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.107 2.482 -2.335 1.00 0.00 C ATOM 0 H ALA A 114 -7.500 2.854 -4.214 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.006 2.970 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.568 2.407 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.409 1.486 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.458 2.928 -3.088 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.641 5.621 -2.662 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.261 7.021 -2.311 1.00 0.00 C ATOM 1764 C VAL A 115 -7.386 7.993 -2.680 1.00 0.00 C ATOM 1765 O VAL A 115 -7.386 9.139 -2.276 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.011 7.310 -3.141 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -3.953 6.245 -2.851 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.367 7.280 -4.630 1.00 0.00 C ATOM 0 H VAL A 115 -6.622 5.403 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.082 7.141 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.621 8.294 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.060 6.449 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.699 6.264 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.345 5.262 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.475 7.486 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.756 6.296 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.124 8.036 -4.839 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.328 7.552 -3.466 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.436 8.459 -3.889 1.00 0.00 C ATOM 1780 C LEU A 116 -10.611 8.421 -2.902 1.00 0.00 C ATOM 1781 O LEU A 116 -11.409 9.335 -2.849 1.00 0.00 O ATOM 1782 CB LEU A 116 -9.866 7.914 -5.248 1.00 0.00 C ATOM 1783 CG LEU A 116 -10.937 8.822 -5.849 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -10.385 9.492 -7.108 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.163 7.981 -6.211 1.00 0.00 C ATOM 0 H LEU A 116 -8.380 6.603 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.115 9.500 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.007 7.857 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.253 6.901 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.220 9.588 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.148 10.141 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.508 10.085 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.106 8.728 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.931 8.624 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.880 7.219 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.552 7.500 -5.314 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.739 7.375 -2.132 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.880 7.298 -1.172 1.00 0.00 C ATOM 1799 C VAL A 117 -11.692 8.291 -0.015 1.00 0.00 C ATOM 1800 O VAL A 117 -12.591 8.513 0.772 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.861 5.859 -0.655 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.530 5.592 0.048 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.011 5.658 0.334 1.00 0.00 C ATOM 0 H VAL A 117 -10.108 6.574 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.828 7.554 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.977 5.168 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.513 4.567 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.711 5.737 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.416 6.281 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.998 4.632 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.895 6.346 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.960 5.852 -0.167 1.00 0.00 H new ATOM 1813 N GLN A 118 -10.536 8.889 0.101 1.00 0.00 N ATOM 1814 CA GLN A 118 -10.305 9.858 1.217 1.00 0.00 C ATOM 1815 C GLN A 118 -11.124 11.141 1.016 1.00 0.00 C ATOM 1816 O GLN A 118 -11.092 12.038 1.835 1.00 0.00 O ATOM 1817 CB GLN A 118 -8.809 10.161 1.164 1.00 0.00 C ATOM 1818 CG GLN A 118 -8.039 8.849 1.013 1.00 0.00 C ATOM 1819 CD GLN A 118 -6.751 8.916 1.831 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -6.779 8.836 3.044 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -5.614 9.056 1.212 1.00 0.00 N ATOM 0 H GLN A 118 -9.743 8.750 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 118 -10.613 9.450 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -8.589 10.825 0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -8.497 10.678 2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.653 8.014 1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.807 8.670 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.592 9.123 0.194 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -4.745 9.099 1.745 1.00 0.00 H new ATOM 1830 N ILE A 119 -11.858 11.236 -0.060 1.00 0.00 N ATOM 1831 CA ILE A 119 -12.678 12.466 -0.297 1.00 0.00 C ATOM 1832 C ILE A 119 -14.099 12.095 -0.753 1.00 0.00 C ATOM 1833 O ILE A 119 -15.015 12.889 -0.657 1.00 0.00 O ATOM 1834 CB ILE A 119 -11.932 13.264 -1.375 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -11.522 12.352 -2.539 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -10.678 13.887 -0.761 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -12.668 12.261 -3.545 1.00 0.00 C ATOM 0 H ILE A 119 -11.927 10.521 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 119 -12.797 13.054 0.613 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.594 14.042 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -10.628 12.744 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.272 11.359 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -10.144 14.455 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -10.964 14.552 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -10.031 13.099 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.376 11.613 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.550 11.849 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.897 13.256 -3.927 1.00 0.00 H new ATOM 1849 N SER A 120 -14.293 10.892 -1.230 1.00 0.00 N ATOM 1850 CA SER A 120 -15.653 10.452 -1.674 1.00 0.00 C ATOM 1851 C SER A 120 -15.534 9.188 -2.525 1.00 0.00 C ATOM 1852 O SER A 120 -14.460 8.817 -2.952 1.00 0.00 O ATOM 1853 CB SER A 120 -16.226 11.598 -2.506 1.00 0.00 C ATOM 1854 OG SER A 120 -15.194 12.190 -3.278 1.00 0.00 O ATOM 0 H SER A 120 -13.562 10.189 -1.332 1.00 0.00 H new ATOM 0 HA SER A 120 -16.298 10.223 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.015 11.227 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.678 12.344 -1.853 1.00 0.00 H new ATOM 0 HG SER A 120 -15.565 12.924 -3.812 1.00 0.00 H new ATOM 1860 N LYS A 121 -16.625 8.519 -2.773 1.00 0.00 N ATOM 1861 CA LYS A 121 -16.556 7.279 -3.593 1.00 0.00 C ATOM 1862 C LYS A 121 -17.957 6.826 -3.994 1.00 0.00 C ATOM 1863 O LYS A 121 -18.949 7.312 -3.489 1.00 0.00 O ATOM 1864 CB LYS A 121 -15.910 6.242 -2.675 1.00 0.00 C ATOM 1865 CG LYS A 121 -14.656 5.671 -3.337 1.00 0.00 C ATOM 1866 CD LYS A 121 -14.376 4.278 -2.767 1.00 0.00 C ATOM 1867 CE LYS A 121 -14.157 3.289 -3.914 1.00 0.00 C ATOM 1868 NZ LYS A 121 -15.189 2.232 -3.719 1.00 0.00 N ATOM 0 H LYS A 121 -17.556 8.776 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 121 -15.994 7.427 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -15.651 6.700 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -16.617 5.440 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -14.794 5.614 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -13.805 6.328 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -13.496 4.307 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -15.212 3.953 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -14.271 3.777 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -13.152 2.868 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -15.627 2.002 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -14.743 1.379 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.918 2.576 -3.062 1.00 0.00 H new ATOM 1882 N GLU A 122 -18.043 5.880 -4.886 1.00 0.00 N ATOM 1883 CA GLU A 122 -19.375 5.374 -5.303 1.00 0.00 C ATOM 1884 C GLU A 122 -20.147 4.984 -4.051 1.00 0.00 C ATOM 1885 O GLU A 122 -21.341 5.177 -3.951 1.00 0.00 O ATOM 1886 CB GLU A 122 -19.083 4.148 -6.169 1.00 0.00 C ATOM 1887 CG GLU A 122 -18.144 3.201 -5.415 1.00 0.00 C ATOM 1888 CD GLU A 122 -17.226 2.488 -6.409 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -16.836 3.113 -7.381 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -16.927 1.328 -6.179 1.00 0.00 O ATOM 0 H GLU A 122 -17.247 5.436 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 122 -19.968 6.106 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -20.012 3.635 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -18.628 4.455 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -17.550 3.761 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -18.724 2.470 -4.852 1.00 0.00 H new ATOM 1897 N VAL A 123 -19.451 4.459 -3.084 1.00 0.00 N ATOM 1898 CA VAL A 123 -20.107 4.075 -1.810 1.00 0.00 C ATOM 1899 C VAL A 123 -19.097 3.391 -0.885 1.00 0.00 C ATOM 1900 O VAL A 123 -18.204 4.072 -0.409 1.00 0.00 O ATOM 1901 CB VAL A 123 -21.231 3.109 -2.189 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -20.679 2.005 -3.090 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -21.804 2.481 -0.916 1.00 0.00 C ATOM 0 H VAL A 123 -18.448 4.279 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 123 -20.496 4.943 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 123 -22.013 3.652 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -21.482 1.319 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -20.263 2.448 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -19.898 1.460 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -22.606 1.791 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -21.017 1.939 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -22.198 3.265 -0.269 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 3.722 -9.269 -8.880 1.00 0.00 CA HETATM 1915 BE BEF A 202 1.835 -7.171 -7.755 1.00 0.00 BE HETATM 1916 F1 BEF A 202 2.334 -8.191 -9.215 1.00 0.00 F HETATM 1917 F2 BEF A 202 1.293 -6.666 -9.024 1.00 0.00 F HETATM 1918 F3 BEF A 202 1.464 -8.520 -7.592 1.00 0.00 F