USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 18 MET CE :methyl -145:sc= -0.0134 (180deg=-1.55) USER MOD Set 1.2: A 86 MET CE :methyl 155:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -157:sc= -0.562 (180deg=-1.02) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= 0.104 F(o=-1.1,f=0.1) USER MOD Single : A 7 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.38) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 23 LYS NZ :NH3+ 152:sc=-0.00403 (180deg=-0.861) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 154:sc= 0.638 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 177:sc=0.000296 USER MOD Single : A 46 MET CE :methyl 135:sc= -8.05! (180deg=-12.3!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -4.21! C(o=-4.2!,f=-11!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -36:sc= 0.322 USER MOD Single : A 81 MET CE :methyl 156:sc= -4.03! (180deg=-5.71!) USER MOD Single : A 82 MET CE :methyl -169:sc= -10.5! (180deg=-10.8!) USER MOD Single : A 85 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.6) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.816 -5.888 -10.236 1.00 0.00 N ATOM 25 CA MET A 3 64.669 -4.802 -9.226 1.00 0.00 C ATOM 26 C MET A 3 63.304 -4.127 -9.371 1.00 0.00 C ATOM 27 O MET A 3 62.551 -4.017 -8.424 1.00 0.00 O ATOM 28 CB MET A 3 65.793 -3.819 -9.551 1.00 0.00 C ATOM 29 CG MET A 3 67.083 -4.278 -8.868 1.00 0.00 C ATOM 30 SD MET A 3 68.418 -4.355 -10.088 1.00 0.00 S ATOM 31 CE MET A 3 68.681 -6.146 -10.026 1.00 0.00 C ATOM 0 HA MET A 3 64.729 -5.172 -8.202 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.940 -3.761 -10.629 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.525 -2.818 -9.212 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.348 -3.588 -8.067 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.937 -5.257 -8.411 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.690 -6.378 -10.368 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.555 -6.497 -9.002 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.957 -6.643 -10.671 1.00 0.00 H new ATOM 41 N THR A 4 62.981 -3.675 -10.550 1.00 0.00 N ATOM 42 CA THR A 4 61.665 -3.008 -10.761 1.00 0.00 C ATOM 43 C THR A 4 60.535 -3.899 -10.239 1.00 0.00 C ATOM 44 O THR A 4 59.497 -3.422 -9.823 1.00 0.00 O ATOM 45 CB THR A 4 61.551 -2.830 -12.274 1.00 0.00 C ATOM 46 OG1 THR A 4 62.568 -1.946 -12.724 1.00 0.00 O ATOM 47 CG2 THR A 4 60.178 -2.252 -12.622 1.00 0.00 C ATOM 0 H THR A 4 63.572 -3.738 -11.379 1.00 0.00 H new ATOM 0 HA THR A 4 61.592 -2.058 -10.232 1.00 0.00 H new ATOM 0 HB THR A 4 61.668 -3.797 -12.762 1.00 0.00 H new ATOM 0 HG1 THR A 4 62.497 -1.833 -13.695 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.099 -2.126 -13.702 1.00 0.00 H new ATOM 0 HG22 THR A 4 59.399 -2.933 -12.278 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.056 -1.285 -12.134 1.00 0.00 H new ATOM 55 N ASP A 5 60.728 -5.189 -10.261 1.00 0.00 N ATOM 56 CA ASP A 5 59.666 -6.111 -9.769 1.00 0.00 C ATOM 57 C ASP A 5 59.755 -6.255 -8.247 1.00 0.00 C ATOM 58 O ASP A 5 58.769 -6.140 -7.546 1.00 0.00 O ATOM 59 CB ASP A 5 59.955 -7.449 -10.450 1.00 0.00 C ATOM 60 CG ASP A 5 58.636 -8.142 -10.797 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.096 -8.810 -9.932 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.189 -7.991 -11.922 1.00 0.00 O ATOM 0 H ASP A 5 61.576 -5.645 -10.599 1.00 0.00 H new ATOM 0 HA ASP A 5 58.665 -5.746 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.543 -7.289 -11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.549 -8.083 -9.792 1.00 0.00 H new ATOM 67 N GLN A 6 60.928 -6.502 -7.731 1.00 0.00 N ATOM 68 CA GLN A 6 61.076 -6.651 -6.255 1.00 0.00 C ATOM 69 C GLN A 6 60.722 -5.335 -5.558 1.00 0.00 C ATOM 70 O GLN A 6 60.575 -5.279 -4.353 1.00 0.00 O ATOM 71 CB GLN A 6 62.550 -6.997 -6.034 1.00 0.00 C ATOM 72 CG GLN A 6 62.706 -8.514 -5.904 1.00 0.00 C ATOM 73 CD GLN A 6 61.781 -9.034 -4.802 1.00 0.00 C ATOM 74 OE1 GLN A 6 61.984 -8.664 -3.567 1.00 0.00 O flip ATOM 75 NE2 GLN A 6 60.862 -9.784 -5.067 1.00 0.00 N flip ATOM 0 H GLN A 6 61.790 -6.607 -8.267 1.00 0.00 H new ATOM 0 HA GLN A 6 60.416 -7.417 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.149 -6.629 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.919 -6.505 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.466 -8.997 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 6 63.741 -8.764 -5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 6 60.702 -10.074 -6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 6 60.250 -10.123 -4.325 1.00 0.00 H new ATOM 84 N GLN A 7 60.581 -4.278 -6.307 1.00 0.00 N ATOM 85 CA GLN A 7 60.234 -2.966 -5.691 1.00 0.00 C ATOM 86 C GLN A 7 58.757 -2.947 -5.292 1.00 0.00 C ATOM 87 O GLN A 7 58.416 -2.748 -4.143 1.00 0.00 O ATOM 88 CB GLN A 7 60.510 -1.932 -6.781 1.00 0.00 C ATOM 89 CG GLN A 7 60.218 -0.530 -6.243 1.00 0.00 C ATOM 90 CD GLN A 7 59.396 0.252 -7.270 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.940 0.815 -8.199 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.099 0.312 -7.140 1.00 0.00 N ATOM 0 H GLN A 7 60.691 -4.265 -7.321 1.00 0.00 H new ATOM 0 HA GLN A 7 60.810 -2.767 -4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.548 -1.999 -7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.889 -2.134 -7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.674 -0.597 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.152 -0.007 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 7 57.642 -0.161 -6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 7 57.542 0.832 -7.818 1.00 0.00 H new ATOM 101 N ALA A 8 57.877 -3.151 -6.233 1.00 0.00 N ATOM 102 CA ALA A 8 56.419 -3.141 -5.914 1.00 0.00 C ATOM 103 C ALA A 8 56.132 -4.009 -4.685 1.00 0.00 C ATOM 104 O ALA A 8 55.414 -3.612 -3.789 1.00 0.00 O ATOM 105 CB ALA A 8 55.743 -3.727 -7.153 1.00 0.00 C ATOM 0 H ALA A 8 58.104 -3.325 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 8 56.056 -2.140 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.664 -3.755 -7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.971 -3.106 -8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.111 -4.738 -7.324 1.00 0.00 H new ATOM 111 N GLU A 9 56.682 -5.192 -4.636 1.00 0.00 N ATOM 112 CA GLU A 9 56.432 -6.080 -3.463 1.00 0.00 C ATOM 113 C GLU A 9 57.330 -5.679 -2.290 1.00 0.00 C ATOM 114 O GLU A 9 57.156 -6.137 -1.179 1.00 0.00 O ATOM 115 CB GLU A 9 56.783 -7.486 -3.948 1.00 0.00 C ATOM 116 CG GLU A 9 56.869 -8.432 -2.749 1.00 0.00 C ATOM 117 CD GLU A 9 58.336 -8.650 -2.375 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.983 -9.447 -3.034 1.00 0.00 O ATOM 119 OE2 GLU A 9 58.788 -8.015 -1.436 1.00 0.00 O ATOM 0 H GLU A 9 57.292 -5.582 -5.355 1.00 0.00 H new ATOM 0 HA GLU A 9 55.403 -6.014 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.028 -7.839 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.733 -7.471 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 9 56.325 -8.013 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.399 -9.385 -2.990 1.00 0.00 H new ATOM 126 N ALA A 10 58.288 -4.826 -2.528 1.00 0.00 N ATOM 127 CA ALA A 10 59.195 -4.399 -1.425 1.00 0.00 C ATOM 128 C ALA A 10 58.509 -3.344 -0.551 1.00 0.00 C ATOM 129 O ALA A 10 58.721 -3.283 0.643 1.00 0.00 O ATOM 130 CB ALA A 10 60.417 -3.807 -2.124 1.00 0.00 C ATOM 0 H ALA A 10 58.482 -4.407 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 10 59.463 -5.226 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.135 -3.468 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 10 60.880 -4.567 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.110 -2.963 -2.741 1.00 0.00 H new ATOM 136 N ARG A 11 57.687 -2.514 -1.136 1.00 0.00 N ATOM 137 CA ARG A 11 56.991 -1.467 -0.332 1.00 0.00 C ATOM 138 C ARG A 11 55.806 -2.085 0.415 1.00 0.00 C ATOM 139 O ARG A 11 55.616 -1.864 1.594 1.00 0.00 O ATOM 140 CB ARG A 11 56.495 -0.432 -1.346 1.00 0.00 C ATOM 141 CG ARG A 11 57.566 -0.184 -2.412 1.00 0.00 C ATOM 142 CD ARG A 11 57.033 -0.624 -3.776 1.00 0.00 C ATOM 143 NE ARG A 11 56.135 0.482 -4.212 1.00 0.00 N ATOM 144 CZ ARG A 11 54.934 0.582 -3.713 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.098 -0.415 -3.818 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.569 1.679 -3.109 1.00 0.00 N ATOM 0 H ARG A 11 57.468 -2.515 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 11 57.650 -1.019 0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.577 -0.784 -1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.255 0.501 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.833 0.872 -2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.473 -0.737 -2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.845 -0.777 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.491 -1.567 -3.703 1.00 0.00 H new ATOM 0 HE ARG A 11 56.459 1.161 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.384 -1.273 -4.290 1.00 0.00 H new ATOM 0 HH12 ARG A 11 53.159 -0.336 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 11 55.223 2.458 -3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.630 1.758 -2.719 1.00 0.00 H new ATOM 160 N ALA A 12 55.008 -2.858 -0.269 1.00 0.00 N ATOM 161 CA ALA A 12 53.832 -3.493 0.392 1.00 0.00 C ATOM 162 C ALA A 12 54.292 -4.443 1.501 1.00 0.00 C ATOM 163 O ALA A 12 53.525 -4.825 2.362 1.00 0.00 O ATOM 164 CB ALA A 12 53.130 -4.269 -0.723 1.00 0.00 C ATOM 0 H ALA A 12 55.119 -3.078 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 12 53.174 -2.760 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.249 -4.769 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.827 -3.580 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.813 -5.013 -1.134 1.00 0.00 H new ATOM 170 N PHE A 13 55.539 -4.829 1.487 1.00 0.00 N ATOM 171 CA PHE A 13 56.042 -5.754 2.543 1.00 0.00 C ATOM 172 C PHE A 13 55.587 -5.272 3.924 1.00 0.00 C ATOM 173 O PHE A 13 55.302 -6.060 4.804 1.00 0.00 O ATOM 174 CB PHE A 13 57.567 -5.695 2.424 1.00 0.00 C ATOM 175 CG PHE A 13 58.199 -6.240 3.685 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.256 -7.622 3.899 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.726 -5.361 4.638 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.841 -8.126 5.068 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.311 -5.864 5.806 1.00 0.00 C ATOM 180 CZ PHE A 13 59.369 -7.246 6.021 1.00 0.00 C ATOM 0 H PHE A 13 56.230 -4.545 0.792 1.00 0.00 H new ATOM 0 HA PHE A 13 55.665 -6.769 2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.897 -6.274 1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.889 -4.667 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.849 -8.300 3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.681 -4.295 4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.885 -9.192 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.718 -5.186 6.541 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.821 -7.634 6.922 1.00 0.00 H new ATOM 190 N LEU A 14 55.515 -3.985 4.118 1.00 0.00 N ATOM 191 CA LEU A 14 55.075 -3.454 5.442 1.00 0.00 C ATOM 192 C LEU A 14 53.986 -2.393 5.253 1.00 0.00 C ATOM 193 O LEU A 14 53.739 -1.933 4.155 1.00 0.00 O ATOM 194 CB LEU A 14 56.331 -2.841 6.068 1.00 0.00 C ATOM 195 CG LEU A 14 56.890 -1.749 5.153 1.00 0.00 C ATOM 196 CD1 LEU A 14 56.093 -0.459 5.350 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.358 -1.497 5.504 1.00 0.00 C ATOM 0 H LEU A 14 55.741 -3.277 3.419 1.00 0.00 H new ATOM 0 HA LEU A 14 54.649 -4.231 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.093 -2.422 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.083 -3.614 6.227 1.00 0.00 H new ATOM 0 HG LEU A 14 56.811 -2.069 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 14 56.492 0.318 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 14 55.046 -0.637 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 14 56.172 -0.137 6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.759 -0.720 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.434 -1.176 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.928 -2.416 5.366 1.00 0.00 H new ATOM 209 N SER A 15 53.332 -2.004 6.314 1.00 0.00 N ATOM 210 CA SER A 15 52.257 -0.977 6.194 1.00 0.00 C ATOM 211 C SER A 15 52.868 0.412 5.986 1.00 0.00 C ATOM 212 O SER A 15 53.951 0.700 6.454 1.00 0.00 O ATOM 213 CB SER A 15 51.504 -1.038 7.523 1.00 0.00 C ATOM 214 OG SER A 15 51.557 -2.365 8.031 1.00 0.00 O ATOM 0 H SER A 15 53.495 -2.353 7.259 1.00 0.00 H new ATOM 0 HA SER A 15 51.602 -1.163 5.343 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.947 -0.344 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.468 -0.731 7.382 1.00 0.00 H new ATOM 0 HG SER A 15 51.077 -2.408 8.884 1.00 0.00 H new ATOM 220 N GLU A 16 52.181 1.277 5.290 1.00 0.00 N ATOM 221 CA GLU A 16 52.723 2.645 5.056 1.00 0.00 C ATOM 222 C GLU A 16 53.306 3.212 6.353 1.00 0.00 C ATOM 223 O GLU A 16 54.184 4.050 6.336 1.00 0.00 O ATOM 224 CB GLU A 16 51.520 3.473 4.604 1.00 0.00 C ATOM 225 CG GLU A 16 51.917 4.948 4.530 1.00 0.00 C ATOM 226 CD GLU A 16 51.744 5.453 3.097 1.00 0.00 C ATOM 227 OE1 GLU A 16 51.879 4.652 2.187 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.479 6.633 2.933 1.00 0.00 O ATOM 0 H GLU A 16 51.268 1.095 4.874 1.00 0.00 H new ATOM 0 HA GLU A 16 53.525 2.651 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.173 3.129 3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.692 3.342 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.301 5.536 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.952 5.073 4.848 1.00 0.00 H new ATOM 235 N GLU A 17 52.823 2.760 7.477 1.00 0.00 N ATOM 236 CA GLU A 17 53.347 3.273 8.775 1.00 0.00 C ATOM 237 C GLU A 17 54.878 3.283 8.761 1.00 0.00 C ATOM 238 O GLU A 17 55.504 4.290 9.028 1.00 0.00 O ATOM 239 CB GLU A 17 52.827 2.292 9.827 1.00 0.00 C ATOM 240 CG GLU A 17 53.549 2.533 11.153 1.00 0.00 C ATOM 241 CD GLU A 17 52.686 2.016 12.304 1.00 0.00 C ATOM 242 OE1 GLU A 17 52.607 0.809 12.465 1.00 0.00 O ATOM 243 OE2 GLU A 17 52.118 2.837 13.008 1.00 0.00 O ATOM 0 H GLU A 17 52.088 2.057 7.553 1.00 0.00 H new ATOM 0 HA GLU A 17 53.025 4.295 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.752 2.419 9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.989 1.267 9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 17 54.514 2.026 11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.748 3.597 11.283 1.00 0.00 H new ATOM 250 N MET A 18 55.487 2.171 8.450 1.00 0.00 N ATOM 251 CA MET A 18 56.977 2.121 8.420 1.00 0.00 C ATOM 252 C MET A 18 57.512 2.948 7.248 1.00 0.00 C ATOM 253 O MET A 18 58.463 3.692 7.384 1.00 0.00 O ATOM 254 CB MET A 18 57.318 0.642 8.236 1.00 0.00 C ATOM 255 CG MET A 18 58.745 0.379 8.725 1.00 0.00 C ATOM 256 SD MET A 18 58.830 0.656 10.511 1.00 0.00 S ATOM 257 CE MET A 18 60.447 -0.110 10.782 1.00 0.00 C ATOM 0 H MET A 18 55.018 1.296 8.216 1.00 0.00 H new ATOM 0 HA MET A 18 57.423 2.533 9.325 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.613 0.024 8.792 1.00 0.00 H new ATOM 0 HB3 MET A 18 57.226 0.365 7.186 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.039 -0.644 8.490 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.445 1.037 8.210 1.00 0.00 H new ATOM 0 HE1 MET A 18 60.455 -0.609 11.751 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.640 -0.840 9.996 1.00 0.00 H new ATOM 0 HE3 MET A 18 61.221 0.657 10.762 1.00 0.00 H new ATOM 267 N ILE A 19 56.909 2.826 6.096 1.00 0.00 N ATOM 268 CA ILE A 19 57.388 3.608 4.920 1.00 0.00 C ATOM 269 C ILE A 19 57.673 5.055 5.331 1.00 0.00 C ATOM 270 O ILE A 19 58.590 5.682 4.839 1.00 0.00 O ATOM 271 CB ILE A 19 56.242 3.556 3.910 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.049 2.113 3.434 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.578 4.448 2.713 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.137 2.096 2.205 1.00 0.00 C ATOM 0 H ILE A 19 56.108 2.220 5.919 1.00 0.00 H new ATOM 0 HA ILE A 19 58.312 3.204 4.506 1.00 0.00 H new ATOM 0 HB ILE A 19 55.324 3.910 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.014 1.668 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.613 1.511 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.762 4.412 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.718 5.474 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.495 4.094 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.001 1.069 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.169 2.524 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.591 2.683 1.407 1.00 0.00 H new ATOM 286 N ALA A 20 56.895 5.590 6.233 1.00 0.00 N ATOM 287 CA ALA A 20 57.122 6.994 6.676 1.00 0.00 C ATOM 288 C ALA A 20 58.345 7.064 7.594 1.00 0.00 C ATOM 289 O ALA A 20 58.964 8.099 7.743 1.00 0.00 O ATOM 290 CB ALA A 20 55.855 7.380 7.440 1.00 0.00 C ATOM 0 H ALA A 20 56.112 5.115 6.682 1.00 0.00 H new ATOM 0 HA ALA A 20 57.312 7.666 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.945 8.405 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.993 7.303 6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.723 6.708 8.288 1.00 0.00 H new ATOM 296 N GLU A 21 58.696 5.970 8.211 1.00 0.00 N ATOM 297 CA GLU A 21 59.880 5.972 9.118 1.00 0.00 C ATOM 298 C GLU A 21 61.172 5.998 8.299 1.00 0.00 C ATOM 299 O GLU A 21 62.143 6.626 8.672 1.00 0.00 O ATOM 300 CB GLU A 21 59.774 4.665 9.906 1.00 0.00 C ATOM 301 CG GLU A 21 61.111 4.372 10.590 1.00 0.00 C ATOM 302 CD GLU A 21 60.857 3.891 12.019 1.00 0.00 C ATOM 303 OE1 GLU A 21 60.380 2.779 12.174 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.144 4.644 12.936 1.00 0.00 O ATOM 0 H GLU A 21 58.215 5.074 8.127 1.00 0.00 H new ATOM 0 HA GLU A 21 59.899 6.844 9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.981 4.740 10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.508 3.846 9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.659 3.613 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.730 5.269 10.601 1.00 0.00 H new ATOM 311 N PHE A 22 61.190 5.320 7.185 1.00 0.00 N ATOM 312 CA PHE A 22 62.418 5.303 6.342 1.00 0.00 C ATOM 313 C PHE A 22 62.495 6.578 5.496 1.00 0.00 C ATOM 314 O PHE A 22 63.532 6.919 4.962 1.00 0.00 O ATOM 315 CB PHE A 22 62.264 4.073 5.447 1.00 0.00 C ATOM 316 CG PHE A 22 62.246 2.828 6.300 1.00 0.00 C ATOM 317 CD1 PHE A 22 63.135 2.701 7.374 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.340 1.798 6.016 1.00 0.00 C ATOM 319 CE1 PHE A 22 63.118 1.545 8.164 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.323 0.642 6.806 1.00 0.00 C ATOM 321 CZ PHE A 22 62.212 0.516 7.880 1.00 0.00 C ATOM 0 H PHE A 22 60.407 4.777 6.822 1.00 0.00 H new ATOM 0 HA PHE A 22 63.330 5.262 6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.343 4.144 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.086 4.025 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 22 63.834 3.495 7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 22 60.654 1.896 5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 22 63.804 1.447 8.993 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.624 -0.152 6.587 1.00 0.00 H new ATOM 0 HZ PHE A 22 62.199 -0.375 8.490 1.00 0.00 H new ATOM 331 N LYS A 23 61.404 7.284 5.371 1.00 0.00 N ATOM 332 CA LYS A 23 61.416 8.537 4.561 1.00 0.00 C ATOM 333 C LYS A 23 62.283 9.600 5.241 1.00 0.00 C ATOM 334 O LYS A 23 63.261 10.063 4.690 1.00 0.00 O ATOM 335 CB LYS A 23 59.956 8.988 4.509 1.00 0.00 C ATOM 336 CG LYS A 23 59.744 9.892 3.293 1.00 0.00 C ATOM 337 CD LYS A 23 60.055 9.109 2.016 1.00 0.00 C ATOM 338 CE LYS A 23 59.208 9.655 0.864 1.00 0.00 C ATOM 339 NZ LYS A 23 59.460 11.123 0.866 1.00 0.00 N ATOM 0 H LYS A 23 60.506 7.048 5.794 1.00 0.00 H new ATOM 0 HA LYS A 23 61.831 8.381 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.298 8.121 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.697 9.523 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.716 10.253 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.388 10.768 3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.115 9.193 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.845 8.050 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.497 9.206 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.151 9.435 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 59.338 11.498 -0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.787 11.590 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 60.431 11.308 1.189 1.00 0.00 H new ATOM 353 N ALA A 24 61.930 9.989 6.436 1.00 0.00 N ATOM 354 CA ALA A 24 62.733 11.022 7.152 1.00 0.00 C ATOM 355 C ALA A 24 64.121 10.473 7.496 1.00 0.00 C ATOM 356 O ALA A 24 65.022 11.209 7.846 1.00 0.00 O ATOM 357 CB ALA A 24 61.945 11.321 8.427 1.00 0.00 C ATOM 0 H ALA A 24 61.121 9.637 6.947 1.00 0.00 H new ATOM 0 HA ALA A 24 62.887 11.916 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.472 12.075 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.955 11.692 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.846 10.409 9.016 1.00 0.00 H new ATOM 363 N ALA A 25 64.298 9.183 7.402 1.00 0.00 N ATOM 364 CA ALA A 25 65.627 8.587 7.726 1.00 0.00 C ATOM 365 C ALA A 25 66.464 8.433 6.453 1.00 0.00 C ATOM 366 O ALA A 25 67.654 8.680 6.446 1.00 0.00 O ATOM 367 CB ALA A 25 65.311 7.219 8.329 1.00 0.00 C ATOM 0 H ALA A 25 63.581 8.516 7.115 1.00 0.00 H new ATOM 0 HA ALA A 25 66.203 9.211 8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.240 6.715 8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.700 7.348 9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.767 6.617 7.601 1.00 0.00 H new ATOM 373 N PHE A 26 65.850 8.025 5.376 1.00 0.00 N ATOM 374 CA PHE A 26 66.609 7.854 4.106 1.00 0.00 C ATOM 375 C PHE A 26 67.048 9.217 3.563 1.00 0.00 C ATOM 376 O PHE A 26 68.105 9.353 2.981 1.00 0.00 O ATOM 377 CB PHE A 26 65.623 7.187 3.146 1.00 0.00 C ATOM 378 CG PHE A 26 66.234 7.113 1.768 1.00 0.00 C ATOM 379 CD1 PHE A 26 67.009 6.006 1.404 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.026 8.154 0.854 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.576 5.938 0.127 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.594 8.085 -0.423 1.00 0.00 C ATOM 383 CZ PHE A 26 67.369 6.977 -0.787 1.00 0.00 C ATOM 0 H PHE A 26 64.856 7.803 5.321 1.00 0.00 H new ATOM 0 HA PHE A 26 67.514 7.261 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.375 6.186 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.692 7.753 3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 26 67.169 5.204 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.428 9.009 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 26 68.174 5.083 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.435 8.887 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.807 6.924 -1.773 1.00 0.00 H new ATOM 393 N ASP A 27 66.243 10.227 3.749 1.00 0.00 N ATOM 394 CA ASP A 27 66.614 11.580 3.244 1.00 0.00 C ATOM 395 C ASP A 27 67.773 12.151 4.065 1.00 0.00 C ATOM 396 O ASP A 27 68.301 13.203 3.765 1.00 0.00 O ATOM 397 CB ASP A 27 65.357 12.431 3.426 1.00 0.00 C ATOM 398 CG ASP A 27 64.274 11.959 2.453 1.00 0.00 C ATOM 399 OD1 ASP A 27 63.929 10.791 2.504 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.810 12.775 1.674 1.00 0.00 O ATOM 0 H ASP A 27 65.344 10.174 4.229 1.00 0.00 H new ATOM 0 HA ASP A 27 66.942 11.557 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.998 12.353 4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.587 13.481 3.248 1.00 0.00 H new ATOM 405 N MET A 28 68.174 11.464 5.100 1.00 0.00 N ATOM 406 CA MET A 28 69.300 11.966 5.938 1.00 0.00 C ATOM 407 C MET A 28 70.583 12.050 5.109 1.00 0.00 C ATOM 408 O MET A 28 71.509 12.759 5.450 1.00 0.00 O ATOM 409 CB MET A 28 69.454 10.933 7.055 1.00 0.00 C ATOM 410 CG MET A 28 68.186 10.914 7.911 1.00 0.00 C ATOM 411 SD MET A 28 68.007 12.504 8.758 1.00 0.00 S ATOM 412 CE MET A 28 68.417 11.921 10.422 1.00 0.00 C ATOM 0 H MET A 28 67.771 10.577 5.401 1.00 0.00 H new ATOM 0 HA MET A 28 69.108 12.966 6.328 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.633 9.946 6.629 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.319 11.176 7.673 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.314 10.723 7.285 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.238 10.105 8.640 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.368 12.755 11.122 1.00 0.00 H new ATOM 0 HE2 MET A 28 67.706 11.152 10.723 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.424 11.505 10.424 1.00 0.00 H new ATOM 422 N PHE A 29 70.648 11.325 4.026 1.00 0.00 N ATOM 423 CA PHE A 29 71.879 11.358 3.182 1.00 0.00 C ATOM 424 C PHE A 29 71.532 11.814 1.762 1.00 0.00 C ATOM 425 O PHE A 29 72.220 11.498 0.811 1.00 0.00 O ATOM 426 CB PHE A 29 72.402 9.916 3.170 1.00 0.00 C ATOM 427 CG PHE A 29 72.201 9.292 4.533 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.190 9.417 5.516 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.018 8.599 4.812 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.994 8.847 6.779 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.823 8.028 6.076 1.00 0.00 C ATOM 432 CZ PHE A 29 71.810 8.152 7.060 1.00 0.00 C ATOM 0 H PHE A 29 69.905 10.713 3.689 1.00 0.00 H new ATOM 0 HA PHE A 29 72.623 12.054 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.877 9.335 2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.459 9.904 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.103 9.952 5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.256 8.504 4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.756 8.943 7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.911 7.492 6.291 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.660 7.713 8.035 1.00 0.00 H new ATOM 442 N ASP A 30 70.471 12.559 1.611 1.00 0.00 N ATOM 443 CA ASP A 30 70.082 13.037 0.254 1.00 0.00 C ATOM 444 C ASP A 30 71.140 14.004 -0.285 1.00 0.00 C ATOM 445 O ASP A 30 70.978 15.207 -0.236 1.00 0.00 O ATOM 446 CB ASP A 30 68.748 13.757 0.456 1.00 0.00 C ATOM 447 CG ASP A 30 67.601 12.827 0.054 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.727 11.634 0.276 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.617 13.324 -0.469 1.00 0.00 O ATOM 0 H ASP A 30 69.857 12.857 2.369 1.00 0.00 H new ATOM 0 HA ASP A 30 69.999 12.223 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.639 14.057 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.719 14.667 -0.143 1.00 0.00 H new ATOM 490 N GLY A 35 65.453 12.308 -3.634 1.00 0.00 N ATOM 491 CA GLY A 35 64.837 11.058 -3.105 1.00 0.00 C ATOM 492 C GLY A 35 65.822 9.899 -3.262 1.00 0.00 C ATOM 493 O GLY A 35 65.460 8.745 -3.154 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.573 11.186 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 35 63.913 10.840 -3.641 1.00 0.00 H new ATOM 497 N ASP A 36 67.067 10.198 -3.516 1.00 0.00 N ATOM 498 CA ASP A 36 68.076 9.112 -3.679 1.00 0.00 C ATOM 499 C ASP A 36 69.452 9.599 -3.215 1.00 0.00 C ATOM 500 O ASP A 36 69.859 10.707 -3.503 1.00 0.00 O ATOM 501 CB ASP A 36 68.090 8.807 -5.176 1.00 0.00 C ATOM 502 CG ASP A 36 68.202 10.115 -5.963 1.00 0.00 C ATOM 503 OD1 ASP A 36 67.276 10.906 -5.891 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.210 10.302 -6.623 1.00 0.00 O ATOM 0 H ASP A 36 67.429 11.146 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 36 67.835 8.229 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.928 8.153 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.180 8.277 -5.458 1.00 0.00 H new ATOM 509 N ILE A 37 70.170 8.778 -2.499 1.00 0.00 N ATOM 510 CA ILE A 37 71.519 9.194 -2.016 1.00 0.00 C ATOM 511 C ILE A 37 72.611 8.448 -2.789 1.00 0.00 C ATOM 512 O ILE A 37 72.331 7.642 -3.656 1.00 0.00 O ATOM 513 CB ILE A 37 71.546 8.802 -0.539 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.560 7.276 -0.417 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.304 9.357 0.160 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.341 6.878 1.043 1.00 0.00 C ATOM 0 H ILE A 37 69.882 7.838 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 37 71.700 10.259 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 37 72.440 9.213 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.780 6.843 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.511 6.881 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.324 9.077 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.293 10.443 0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.409 8.946 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.351 5.791 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.137 7.298 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.379 7.260 1.384 1.00 0.00 H new ATOM 528 N SER A 38 73.852 8.708 -2.482 1.00 0.00 N ATOM 529 CA SER A 38 74.959 8.014 -3.200 1.00 0.00 C ATOM 530 C SER A 38 74.913 6.510 -2.917 1.00 0.00 C ATOM 531 O SER A 38 74.774 6.085 -1.787 1.00 0.00 O ATOM 532 CB SER A 38 76.241 8.625 -2.635 1.00 0.00 C ATOM 533 OG SER A 38 77.361 7.890 -3.109 1.00 0.00 O ATOM 0 H SER A 38 74.148 9.371 -1.765 1.00 0.00 H new ATOM 0 HA SER A 38 74.890 8.136 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.323 9.669 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.216 8.609 -1.545 1.00 0.00 H new ATOM 0 HG SER A 38 78.185 8.281 -2.750 1.00 0.00 H new ATOM 539 N THR A 39 75.027 5.701 -3.935 1.00 0.00 N ATOM 540 CA THR A 39 74.990 4.226 -3.723 1.00 0.00 C ATOM 541 C THR A 39 75.983 3.822 -2.629 1.00 0.00 C ATOM 542 O THR A 39 75.798 2.837 -1.942 1.00 0.00 O ATOM 543 CB THR A 39 75.398 3.621 -5.067 1.00 0.00 C ATOM 544 OG1 THR A 39 76.466 4.378 -5.620 1.00 0.00 O ATOM 545 CG2 THR A 39 74.204 3.645 -6.023 1.00 0.00 C ATOM 0 H THR A 39 75.144 5.998 -4.904 1.00 0.00 H new ATOM 0 HA THR A 39 74.007 3.881 -3.402 1.00 0.00 H new ATOM 0 HB THR A 39 75.721 2.590 -4.919 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.993 3.810 -6.220 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.496 3.214 -6.981 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.386 3.064 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.879 4.674 -6.173 1.00 0.00 H new ATOM 553 N LYS A 40 77.033 4.578 -2.462 1.00 0.00 N ATOM 554 CA LYS A 40 78.038 4.238 -1.412 1.00 0.00 C ATOM 555 C LYS A 40 77.470 4.535 -0.022 1.00 0.00 C ATOM 556 O LYS A 40 77.982 4.076 0.980 1.00 0.00 O ATOM 557 CB LYS A 40 79.237 5.142 -1.704 1.00 0.00 C ATOM 558 CG LYS A 40 80.525 4.320 -1.630 1.00 0.00 C ATOM 559 CD LYS A 40 81.228 4.349 -2.989 1.00 0.00 C ATOM 560 CE LYS A 40 82.389 5.343 -2.944 1.00 0.00 C ATOM 561 NZ LYS A 40 82.756 5.570 -4.370 1.00 0.00 N ATOM 0 H LYS A 40 77.240 5.416 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 40 78.310 3.182 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.136 5.591 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.273 5.960 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.183 4.723 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.297 3.292 -1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.597 3.355 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.522 4.634 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.094 6.274 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.230 4.942 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.547 6.243 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.039 4.668 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.938 5.958 -4.881 1.00 0.00 H new ATOM 575 N GLU A 41 76.415 5.300 0.046 1.00 0.00 N ATOM 576 CA GLU A 41 75.815 5.628 1.372 1.00 0.00 C ATOM 577 C GLU A 41 74.679 4.653 1.696 1.00 0.00 C ATOM 578 O GLU A 41 74.256 4.533 2.828 1.00 0.00 O ATOM 579 CB GLU A 41 75.276 7.050 1.218 1.00 0.00 C ATOM 580 CG GLU A 41 74.606 7.488 2.523 1.00 0.00 C ATOM 581 CD GLU A 41 75.626 8.214 3.403 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.547 8.794 2.852 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.468 8.178 4.612 1.00 0.00 O ATOM 0 H GLU A 41 75.942 5.712 -0.758 1.00 0.00 H new ATOM 0 HA GLU A 41 76.538 5.551 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.088 7.733 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.560 7.092 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.763 8.144 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.209 6.620 3.049 1.00 0.00 H new ATOM 590 N LEU A 42 74.183 3.956 0.709 1.00 0.00 N ATOM 591 CA LEU A 42 73.074 2.991 0.961 1.00 0.00 C ATOM 592 C LEU A 42 73.337 2.208 2.250 1.00 0.00 C ATOM 593 O LEU A 42 72.455 2.021 3.064 1.00 0.00 O ATOM 594 CB LEU A 42 73.082 2.054 -0.248 1.00 0.00 C ATOM 595 CG LEU A 42 71.780 1.252 -0.281 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.008 1.583 -1.559 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.103 -0.244 -0.255 1.00 0.00 C ATOM 0 H LEU A 42 74.497 4.013 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 42 72.112 3.489 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.190 2.630 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.936 1.379 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 42 71.173 1.510 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.080 1.011 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.778 2.648 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.614 1.326 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.176 -0.817 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.710 -0.500 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.653 -0.482 0.655 1.00 0.00 H new ATOM 609 N GLY A 43 74.544 1.752 2.444 1.00 0.00 N ATOM 610 CA GLY A 43 74.861 0.985 3.683 1.00 0.00 C ATOM 611 C GLY A 43 74.450 1.804 4.907 1.00 0.00 C ATOM 612 O GLY A 43 73.745 1.329 5.776 1.00 0.00 O ATOM 0 H GLY A 43 75.324 1.877 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.335 0.030 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.927 0.761 3.723 1.00 0.00 H new ATOM 616 N THR A 44 74.882 3.033 4.981 1.00 0.00 N ATOM 617 CA THR A 44 74.515 3.884 6.150 1.00 0.00 C ATOM 618 C THR A 44 73.005 3.817 6.396 1.00 0.00 C ATOM 619 O THR A 44 72.554 3.376 7.434 1.00 0.00 O ATOM 620 CB THR A 44 74.935 5.302 5.751 1.00 0.00 C ATOM 621 OG1 THR A 44 76.339 5.440 5.912 1.00 0.00 O ATOM 622 CG2 THR A 44 74.215 6.324 6.633 1.00 0.00 C ATOM 0 H THR A 44 75.473 3.485 4.283 1.00 0.00 H new ATOM 0 HA THR A 44 75.000 3.559 7.070 1.00 0.00 H new ATOM 0 HB THR A 44 74.667 5.478 4.709 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.617 6.330 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.518 7.331 6.345 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.137 6.219 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.476 6.152 7.677 1.00 0.00 H new ATOM 630 N VAL A 45 72.223 4.254 5.450 1.00 0.00 N ATOM 631 CA VAL A 45 70.743 4.220 5.628 1.00 0.00 C ATOM 632 C VAL A 45 70.303 2.855 6.167 1.00 0.00 C ATOM 633 O VAL A 45 69.888 2.731 7.302 1.00 0.00 O ATOM 634 CB VAL A 45 70.174 4.454 4.229 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.687 4.100 4.216 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.350 5.926 3.850 1.00 0.00 C ATOM 0 H VAL A 45 72.544 4.634 4.560 1.00 0.00 H new ATOM 0 HA VAL A 45 70.395 4.967 6.341 1.00 0.00 H new ATOM 0 HB VAL A 45 70.702 3.826 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.282 4.267 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.560 3.052 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.157 4.728 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.945 6.096 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.821 6.552 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.410 6.180 3.859 1.00 0.00 H new ATOM 646 N MET A 46 70.389 1.833 5.360 1.00 0.00 N ATOM 647 CA MET A 46 69.974 0.476 5.825 1.00 0.00 C ATOM 648 C MET A 46 70.460 0.227 7.257 1.00 0.00 C ATOM 649 O MET A 46 69.743 -0.299 8.084 1.00 0.00 O ATOM 650 CB MET A 46 70.647 -0.495 4.856 1.00 0.00 C ATOM 651 CG MET A 46 69.932 -0.446 3.506 1.00 0.00 C ATOM 652 SD MET A 46 70.748 -1.573 2.349 1.00 0.00 S ATOM 653 CE MET A 46 69.630 -2.977 2.576 1.00 0.00 C ATOM 0 H MET A 46 70.728 1.877 4.399 1.00 0.00 H new ATOM 0 HA MET A 46 68.890 0.360 5.837 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.698 -0.233 4.733 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.617 -1.507 5.259 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.886 -0.726 3.626 1.00 0.00 H new ATOM 0 HG3 MET A 46 69.946 0.570 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.371 -3.397 1.604 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.121 -3.739 3.181 1.00 0.00 H new ATOM 0 HE3 MET A 46 68.723 -2.642 3.080 1.00 0.00 H new ATOM 663 N ARG A 47 71.676 0.601 7.556 1.00 0.00 N ATOM 664 CA ARG A 47 72.205 0.381 8.934 1.00 0.00 C ATOM 665 C ARG A 47 71.596 1.394 9.906 1.00 0.00 C ATOM 666 O ARG A 47 71.180 1.052 10.996 1.00 0.00 O ATOM 667 CB ARG A 47 73.717 0.592 8.820 1.00 0.00 C ATOM 668 CG ARG A 47 74.449 -0.556 9.518 1.00 0.00 C ATOM 669 CD ARG A 47 75.808 -0.066 10.028 1.00 0.00 C ATOM 670 NE ARG A 47 76.715 -0.150 8.850 1.00 0.00 N ATOM 671 CZ ARG A 47 77.834 0.524 8.836 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.723 0.333 9.773 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.064 1.387 7.885 1.00 0.00 N ATOM 0 H ARG A 47 72.324 1.048 6.908 1.00 0.00 H new ATOM 0 HA ARG A 47 71.959 -0.611 9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.010 0.639 7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.997 1.544 9.272 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.851 -0.930 10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.587 -1.387 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.744 0.955 10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.169 -0.686 10.849 1.00 0.00 H new ATOM 0 HE ARG A 47 76.462 -0.734 8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.544 -0.343 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 47 79.597 0.859 9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.370 1.536 7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.938 1.913 7.874 1.00 0.00 H new ATOM 687 N MET A 48 71.542 2.641 9.522 1.00 0.00 N ATOM 688 CA MET A 48 70.962 3.676 10.426 1.00 0.00 C ATOM 689 C MET A 48 69.477 3.396 10.671 1.00 0.00 C ATOM 690 O MET A 48 68.853 4.005 11.518 1.00 0.00 O ATOM 691 CB MET A 48 71.141 4.998 9.680 1.00 0.00 C ATOM 692 CG MET A 48 72.189 5.851 10.398 1.00 0.00 C ATOM 693 SD MET A 48 71.531 7.515 10.666 1.00 0.00 S ATOM 694 CE MET A 48 71.532 7.472 12.475 1.00 0.00 C ATOM 0 H MET A 48 71.874 2.988 8.622 1.00 0.00 H new ATOM 0 HA MET A 48 71.447 3.688 11.402 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.452 4.809 8.653 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.192 5.532 9.632 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.453 5.395 11.352 1.00 0.00 H new ATOM 0 HG3 MET A 48 73.102 5.901 9.805 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.155 8.419 12.862 1.00 0.00 H new ATOM 0 HE2 MET A 48 70.893 6.659 12.820 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.548 7.312 12.835 1.00 0.00 H new ATOM 704 N LEU A 49 68.907 2.482 9.937 1.00 0.00 N ATOM 705 CA LEU A 49 67.461 2.168 10.129 1.00 0.00 C ATOM 706 C LEU A 49 67.291 1.085 11.197 1.00 0.00 C ATOM 707 O LEU A 49 66.441 1.181 12.060 1.00 0.00 O ATOM 708 CB LEU A 49 66.984 1.661 8.767 1.00 0.00 C ATOM 709 CG LEU A 49 66.886 2.836 7.793 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.284 2.356 6.472 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.995 3.924 8.395 1.00 0.00 C ATOM 0 H LEU A 49 69.378 1.939 9.213 1.00 0.00 H new ATOM 0 HA LEU A 49 66.890 3.034 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.677 0.912 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.013 1.175 8.867 1.00 0.00 H new ATOM 0 HG LEU A 49 67.882 3.241 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.214 3.194 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.919 1.581 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.288 1.950 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.925 4.762 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.999 3.519 8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 49 66.425 4.267 9.336 1.00 0.00 H new ATOM 723 N GLY A 50 68.092 0.057 11.149 1.00 0.00 N ATOM 724 CA GLY A 50 67.974 -1.029 12.163 1.00 0.00 C ATOM 725 C GLY A 50 68.561 -2.324 11.600 1.00 0.00 C ATOM 726 O GLY A 50 68.940 -3.215 12.335 1.00 0.00 O ATOM 0 H GLY A 50 68.824 -0.078 10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.499 -0.747 13.076 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.928 -1.178 12.430 1.00 0.00 H new ATOM 730 N GLN A 51 68.641 -2.437 10.303 1.00 0.00 N ATOM 731 CA GLN A 51 69.204 -3.679 9.696 1.00 0.00 C ATOM 732 C GLN A 51 70.734 -3.615 9.692 1.00 0.00 C ATOM 733 O GLN A 51 71.327 -2.687 10.204 1.00 0.00 O ATOM 734 CB GLN A 51 68.669 -3.708 8.261 1.00 0.00 C ATOM 735 CG GLN A 51 67.199 -3.289 8.250 1.00 0.00 C ATOM 736 CD GLN A 51 67.054 -1.942 7.538 1.00 0.00 C ATOM 737 OE1 GLN A 51 68.010 -1.423 6.994 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.892 -1.351 7.517 1.00 0.00 N ATOM 0 H GLN A 51 68.342 -1.725 9.637 1.00 0.00 H new ATOM 0 HA GLN A 51 68.919 -4.572 10.252 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.253 -3.037 7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.775 -4.709 7.843 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.599 -4.045 7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.824 -3.214 9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.090 -1.786 7.973 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.785 -0.453 7.044 1.00 0.00 H new ATOM 747 N ASN A 52 71.375 -4.594 9.114 1.00 0.00 N ATOM 748 CA ASN A 52 72.865 -4.587 9.076 1.00 0.00 C ATOM 749 C ASN A 52 73.364 -5.240 7.785 1.00 0.00 C ATOM 750 O ASN A 52 73.691 -6.410 7.766 1.00 0.00 O ATOM 751 CB ASN A 52 73.298 -5.404 10.293 1.00 0.00 C ATOM 752 CG ASN A 52 73.792 -4.460 11.391 1.00 0.00 C ATOM 753 OD1 ASN A 52 74.720 -3.703 11.184 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.208 -4.473 12.557 1.00 0.00 N ATOM 0 H ASN A 52 70.932 -5.397 8.667 1.00 0.00 H new ATOM 0 HA ASN A 52 73.273 -3.577 9.099 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.463 -6.000 10.660 1.00 0.00 H new ATOM 0 HB3 ASN A 52 74.089 -6.100 10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 52 73.530 -3.848 13.296 1.00 0.00 H new ATOM 0 HD22 ASN A 52 72.429 -5.108 12.730 1.00 0.00 H new ATOM 761 N PRO A 53 73.407 -4.454 6.745 1.00 0.00 N ATOM 762 CA PRO A 53 73.872 -4.955 5.429 1.00 0.00 C ATOM 763 C PRO A 53 75.387 -5.181 5.451 1.00 0.00 C ATOM 764 O PRO A 53 76.164 -4.248 5.413 1.00 0.00 O ATOM 765 CB PRO A 53 73.503 -3.830 4.466 1.00 0.00 C ATOM 766 CG PRO A 53 73.445 -2.599 5.315 1.00 0.00 C ATOM 767 CD PRO A 53 73.030 -3.037 6.696 1.00 0.00 C ATOM 0 HA PRO A 53 73.426 -5.910 5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.245 -3.729 3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.545 -4.022 3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.415 -2.103 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.732 -1.882 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.540 -2.461 7.468 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.960 -2.903 6.853 1.00 0.00 H new ATOM 775 N THR A 54 75.811 -6.414 5.514 1.00 0.00 N ATOM 776 CA THR A 54 77.276 -6.696 5.540 1.00 0.00 C ATOM 777 C THR A 54 77.927 -6.233 4.234 1.00 0.00 C ATOM 778 O THR A 54 77.307 -6.227 3.189 1.00 0.00 O ATOM 779 CB THR A 54 77.384 -8.215 5.685 1.00 0.00 C ATOM 780 OG1 THR A 54 77.050 -8.831 4.449 1.00 0.00 O ATOM 781 CG2 THR A 54 76.424 -8.698 6.773 1.00 0.00 C ATOM 0 H THR A 54 75.209 -7.237 5.549 1.00 0.00 H new ATOM 0 HA THR A 54 77.784 -6.172 6.350 1.00 0.00 H new ATOM 0 HB THR A 54 78.404 -8.481 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 54 77.120 -9.804 4.539 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.503 -9.780 6.874 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.681 -8.225 7.721 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.402 -8.433 6.501 1.00 0.00 H new ATOM 789 N LYS A 55 79.172 -5.847 4.285 1.00 0.00 N ATOM 790 CA LYS A 55 79.861 -5.386 3.045 1.00 0.00 C ATOM 791 C LYS A 55 79.523 -6.320 1.880 1.00 0.00 C ATOM 792 O LYS A 55 78.931 -5.914 0.900 1.00 0.00 O ATOM 793 CB LYS A 55 81.353 -5.449 3.372 1.00 0.00 C ATOM 794 CG LYS A 55 82.140 -4.672 2.315 1.00 0.00 C ATOM 795 CD LYS A 55 83.346 -3.996 2.970 1.00 0.00 C ATOM 796 CE LYS A 55 84.613 -4.792 2.652 1.00 0.00 C ATOM 797 NZ LYS A 55 85.649 -3.764 2.353 1.00 0.00 N ATOM 0 H LYS A 55 79.742 -5.831 5.130 1.00 0.00 H new ATOM 0 HA LYS A 55 79.555 -4.383 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.538 -5.028 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.687 -6.486 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.472 -5.346 1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.500 -3.924 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.445 -2.973 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.202 -3.937 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.909 -5.417 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.459 -5.456 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.548 -4.234 2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.343 -3.189 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.779 -3.151 3.183 1.00 0.00 H new ATOM 811 N GLU A 56 79.894 -7.567 1.978 1.00 0.00 N ATOM 812 CA GLU A 56 79.590 -8.523 0.875 1.00 0.00 C ATOM 813 C GLU A 56 78.154 -8.319 0.387 1.00 0.00 C ATOM 814 O GLU A 56 77.906 -8.148 -0.790 1.00 0.00 O ATOM 815 CB GLU A 56 79.756 -9.911 1.495 1.00 0.00 C ATOM 816 CG GLU A 56 80.792 -10.707 0.700 1.00 0.00 C ATOM 817 CD GLU A 56 82.120 -10.716 1.457 1.00 0.00 C ATOM 818 OE1 GLU A 56 82.555 -9.651 1.864 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.682 -11.787 1.617 1.00 0.00 O ATOM 0 H GLU A 56 80.394 -7.965 2.773 1.00 0.00 H new ATOM 0 HA GLU A 56 80.243 -8.384 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.071 -9.821 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.801 -10.437 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.442 -11.728 0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.927 -10.264 -0.287 1.00 0.00 H new ATOM 826 N GLU A 57 77.208 -8.333 1.285 1.00 0.00 N ATOM 827 CA GLU A 57 75.788 -8.137 0.876 1.00 0.00 C ATOM 828 C GLU A 57 75.581 -6.706 0.375 1.00 0.00 C ATOM 829 O GLU A 57 75.038 -6.482 -0.689 1.00 0.00 O ATOM 830 CB GLU A 57 74.974 -8.382 2.146 1.00 0.00 C ATOM 831 CG GLU A 57 74.798 -9.887 2.356 1.00 0.00 C ATOM 832 CD GLU A 57 73.474 -10.338 1.737 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.443 -9.844 2.166 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.513 -11.167 0.843 1.00 0.00 O ATOM 0 H GLU A 57 77.357 -8.472 2.285 1.00 0.00 H new ATOM 0 HA GLU A 57 75.492 -8.806 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.479 -7.941 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.000 -7.899 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.627 -10.428 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.812 -10.120 3.421 1.00 0.00 H new ATOM 841 N LEU A 58 76.014 -5.736 1.132 1.00 0.00 N ATOM 842 CA LEU A 58 75.845 -4.321 0.701 1.00 0.00 C ATOM 843 C LEU A 58 76.518 -4.104 -0.657 1.00 0.00 C ATOM 844 O LEU A 58 75.969 -3.476 -1.540 1.00 0.00 O ATOM 845 CB LEU A 58 76.537 -3.496 1.788 1.00 0.00 C ATOM 846 CG LEU A 58 76.808 -2.086 1.265 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.480 -1.374 1.005 1.00 0.00 C ATOM 848 CD2 LEU A 58 77.612 -1.303 2.307 1.00 0.00 C ATOM 0 H LEU A 58 76.478 -5.863 2.031 1.00 0.00 H new ATOM 0 HA LEU A 58 74.798 -4.040 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 58 75.910 -3.450 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.473 -3.973 2.081 1.00 0.00 H new ATOM 0 HG LEU A 58 77.375 -2.145 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.673 -0.368 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 58 74.907 -1.932 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 58 74.912 -1.314 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 58 77.806 -0.297 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 58 77.044 -1.244 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.559 -1.810 2.493 1.00 0.00 H new ATOM 860 N ASP A 59 77.705 -4.621 -0.830 1.00 0.00 N ATOM 861 CA ASP A 59 78.411 -4.446 -2.131 1.00 0.00 C ATOM 862 C ASP A 59 77.591 -5.064 -3.266 1.00 0.00 C ATOM 863 O ASP A 59 77.454 -4.493 -4.329 1.00 0.00 O ATOM 864 CB ASP A 59 79.739 -5.185 -1.963 1.00 0.00 C ATOM 865 CG ASP A 59 80.654 -4.388 -1.030 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.135 -3.731 -0.143 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.858 -4.450 -1.219 1.00 0.00 O ATOM 0 H ASP A 59 78.215 -5.156 -0.127 1.00 0.00 H new ATOM 0 HA ASP A 59 78.558 -3.396 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 59 79.564 -6.180 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.218 -5.318 -2.933 1.00 0.00 H new ATOM 872 N ALA A 60 77.041 -6.229 -3.047 1.00 0.00 N ATOM 873 CA ALA A 60 76.229 -6.884 -4.112 1.00 0.00 C ATOM 874 C ALA A 60 75.028 -6.007 -4.479 1.00 0.00 C ATOM 875 O ALA A 60 74.710 -5.828 -5.639 1.00 0.00 O ATOM 876 CB ALA A 60 75.763 -8.204 -3.500 1.00 0.00 C ATOM 0 H ALA A 60 77.119 -6.755 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 60 76.799 -7.039 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.157 -8.747 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.631 -8.806 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.169 -8.002 -2.609 1.00 0.00 H new ATOM 882 N ILE A 61 74.360 -5.457 -3.503 1.00 0.00 N ATOM 883 CA ILE A 61 73.183 -4.591 -3.802 1.00 0.00 C ATOM 884 C ILE A 61 73.649 -3.280 -4.439 1.00 0.00 C ATOM 885 O ILE A 61 73.211 -2.907 -5.509 1.00 0.00 O ATOM 886 CB ILE A 61 72.523 -4.332 -2.445 1.00 0.00 C ATOM 887 CG1 ILE A 61 71.675 -5.545 -2.053 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.624 -3.096 -2.531 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.557 -6.586 -1.362 1.00 0.00 C ATOM 0 H ILE A 61 74.577 -5.569 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 61 72.490 -5.057 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 61 73.297 -4.164 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 61 70.868 -5.238 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 61 71.210 -5.978 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.157 -2.917 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.223 -2.229 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.851 -3.260 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.952 -7.449 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.348 -6.902 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 61 73.001 -6.150 -0.467 1.00 0.00 H new ATOM 901 N ILE A 62 74.536 -2.574 -3.793 1.00 0.00 N ATOM 902 CA ILE A 62 75.025 -1.291 -4.372 1.00 0.00 C ATOM 903 C ILE A 62 75.314 -1.476 -5.861 1.00 0.00 C ATOM 904 O ILE A 62 74.736 -0.817 -6.702 1.00 0.00 O ATOM 905 CB ILE A 62 76.309 -0.972 -3.606 1.00 0.00 C ATOM 906 CG1 ILE A 62 75.951 -0.434 -2.218 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.110 0.084 -4.368 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.234 -0.086 -1.461 1.00 0.00 C ATOM 0 H ILE A 62 74.942 -2.829 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 62 74.295 -0.486 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 62 76.907 -1.878 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.319 0.449 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.379 -1.178 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.025 0.311 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.363 -0.296 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.513 0.991 -4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 62 76.981 0.297 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.849 -0.980 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.788 0.673 -2.013 1.00 0.00 H new ATOM 920 N GLU A 63 76.197 -2.377 -6.196 1.00 0.00 N ATOM 921 CA GLU A 63 76.511 -2.609 -7.632 1.00 0.00 C ATOM 922 C GLU A 63 75.224 -2.925 -8.397 1.00 0.00 C ATOM 923 O GLU A 63 75.091 -2.617 -9.565 1.00 0.00 O ATOM 924 CB GLU A 63 77.454 -3.812 -7.641 1.00 0.00 C ATOM 925 CG GLU A 63 77.648 -4.298 -9.078 1.00 0.00 C ATOM 926 CD GLU A 63 78.608 -5.488 -9.091 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.316 -5.663 -8.113 1.00 0.00 O ATOM 928 OE2 GLU A 63 78.620 -6.204 -10.078 1.00 0.00 O ATOM 0 H GLU A 63 76.713 -2.961 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 63 76.963 -1.739 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.415 -3.537 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.044 -4.614 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 63 76.689 -4.587 -9.508 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.044 -3.492 -9.695 1.00 0.00 H new ATOM 935 N GLU A 64 74.271 -3.531 -7.742 1.00 0.00 N ATOM 936 CA GLU A 64 72.987 -3.860 -8.424 1.00 0.00 C ATOM 937 C GLU A 64 72.163 -2.581 -8.617 1.00 0.00 C ATOM 938 O GLU A 64 71.426 -2.443 -9.573 1.00 0.00 O ATOM 939 CB GLU A 64 72.283 -4.848 -7.479 1.00 0.00 C ATOM 940 CG GLU A 64 70.760 -4.696 -7.580 1.00 0.00 C ATOM 941 CD GLU A 64 70.082 -5.775 -6.734 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.679 -6.825 -6.557 1.00 0.00 O ATOM 943 OE2 GLU A 64 68.977 -5.534 -6.277 1.00 0.00 O ATOM 0 H GLU A 64 74.326 -3.813 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 64 73.127 -4.292 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.570 -5.869 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.605 -4.671 -6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.459 -3.707 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.444 -4.782 -8.620 1.00 0.00 H new ATOM 950 N VAL A 65 72.282 -1.647 -7.714 1.00 0.00 N ATOM 951 CA VAL A 65 71.506 -0.381 -7.843 1.00 0.00 C ATOM 952 C VAL A 65 72.422 0.759 -8.299 1.00 0.00 C ATOM 953 O VAL A 65 71.987 1.876 -8.496 1.00 0.00 O ATOM 954 CB VAL A 65 70.963 -0.105 -6.441 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.015 -1.233 -6.029 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.126 -0.031 -5.450 1.00 0.00 C ATOM 0 H VAL A 65 72.883 -1.706 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 65 70.708 -0.460 -8.581 1.00 0.00 H new ATOM 0 HB VAL A 65 70.423 0.842 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.628 -1.036 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.186 -1.288 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.555 -2.180 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.740 0.166 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.666 -0.978 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.803 0.772 -5.742 1.00 0.00 H new ATOM 966 N ASP A 66 73.688 0.487 -8.468 1.00 0.00 N ATOM 967 CA ASP A 66 74.628 1.556 -8.911 1.00 0.00 C ATOM 968 C ASP A 66 74.717 1.586 -10.439 1.00 0.00 C ATOM 969 O ASP A 66 75.348 2.449 -11.016 1.00 0.00 O ATOM 970 CB ASP A 66 75.978 1.176 -8.302 1.00 0.00 C ATOM 971 CG ASP A 66 76.915 2.384 -8.341 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.783 3.183 -9.255 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.747 2.492 -7.456 1.00 0.00 O ATOM 0 H ASP A 66 74.112 -0.429 -8.318 1.00 0.00 H new ATOM 0 HA ASP A 66 74.303 2.547 -8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.843 0.840 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.417 0.345 -8.854 1.00 0.00 H new ATOM 1030 N THR A 72 73.148 6.346 -7.638 1.00 0.00 N ATOM 1031 CA THR A 72 72.117 6.870 -6.698 1.00 0.00 C ATOM 1032 C THR A 72 70.991 5.847 -6.526 1.00 0.00 C ATOM 1033 O THR A 72 70.545 5.235 -7.477 1.00 0.00 O ATOM 1034 CB THR A 72 71.587 8.142 -7.359 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.135 7.839 -8.672 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.702 9.186 -7.430 1.00 0.00 C ATOM 0 HA THR A 72 72.524 7.066 -5.706 1.00 0.00 H new ATOM 0 HB THR A 72 70.759 8.538 -6.771 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.723 7.165 -9.073 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.322 10.092 -7.902 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.047 9.418 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.532 8.792 -8.016 1.00 0.00 H new ATOM 1044 N ILE A 73 70.528 5.656 -5.321 1.00 0.00 N ATOM 1045 CA ILE A 73 69.431 4.674 -5.093 1.00 0.00 C ATOM 1046 C ILE A 73 68.091 5.400 -4.959 1.00 0.00 C ATOM 1047 O ILE A 73 67.980 6.397 -4.272 1.00 0.00 O ATOM 1048 CB ILE A 73 69.792 3.973 -3.783 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.646 3.048 -3.370 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.021 5.020 -2.691 1.00 0.00 C ATOM 1051 CD1 ILE A 73 68.565 1.869 -4.341 1.00 0.00 C ATOM 0 H ILE A 73 70.862 6.137 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 73 69.330 3.970 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 73 70.701 3.388 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.805 2.686 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.704 3.597 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.278 4.521 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.836 5.681 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.112 5.605 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 73 67.748 1.210 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 73 68.386 2.240 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.504 1.315 -4.320 1.00 0.00 H new ATOM 1063 N ASP A 74 67.072 4.910 -5.609 1.00 0.00 N ATOM 1064 CA ASP A 74 65.741 5.574 -5.517 1.00 0.00 C ATOM 1065 C ASP A 74 64.959 5.026 -4.320 1.00 0.00 C ATOM 1066 O ASP A 74 65.085 3.872 -3.960 1.00 0.00 O ATOM 1067 CB ASP A 74 65.034 5.225 -6.826 1.00 0.00 C ATOM 1068 CG ASP A 74 65.299 6.323 -7.858 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.071 7.478 -7.538 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.728 5.990 -8.951 1.00 0.00 O ATOM 0 H ASP A 74 67.103 4.079 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 74 65.825 6.651 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.392 4.266 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 74 63.962 5.122 -6.656 1.00 0.00 H new ATOM 1075 N PHE A 75 64.152 5.844 -3.701 1.00 0.00 N ATOM 1076 CA PHE A 75 63.364 5.368 -2.529 1.00 0.00 C ATOM 1077 C PHE A 75 62.524 4.148 -2.916 1.00 0.00 C ATOM 1078 O PHE A 75 62.540 3.133 -2.246 1.00 0.00 O ATOM 1079 CB PHE A 75 62.461 6.543 -2.153 1.00 0.00 C ATOM 1080 CG PHE A 75 62.091 6.447 -0.693 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.034 5.623 -0.291 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.807 7.182 0.259 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.692 5.533 1.064 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.465 7.092 1.614 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.408 6.269 2.016 1.00 0.00 C ATOM 0 H PHE A 75 64.004 6.821 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 75 64.002 5.064 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 75 62.973 7.485 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.561 6.535 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.482 5.056 -1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.623 7.818 -0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.877 4.896 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.018 7.658 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.144 6.201 3.061 1.00 0.00 H new ATOM 1095 N GLU A 76 61.792 4.236 -3.992 1.00 0.00 N ATOM 1096 CA GLU A 76 60.953 3.081 -4.419 1.00 0.00 C ATOM 1097 C GLU A 76 61.813 1.819 -4.528 1.00 0.00 C ATOM 1098 O GLU A 76 61.427 0.753 -4.089 1.00 0.00 O ATOM 1099 CB GLU A 76 60.403 3.476 -5.790 1.00 0.00 C ATOM 1100 CG GLU A 76 61.564 3.785 -6.737 1.00 0.00 C ATOM 1101 CD GLU A 76 61.033 4.504 -7.978 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.770 5.692 -7.885 1.00 0.00 O ATOM 1103 OE2 GLU A 76 60.898 3.855 -9.003 1.00 0.00 O ATOM 0 H GLU A 76 61.738 5.058 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 76 60.155 2.863 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.794 2.668 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.755 4.347 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.303 4.407 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.067 2.862 -7.026 1.00 0.00 H new ATOM 1110 N GLU A 77 62.977 1.931 -5.105 1.00 0.00 N ATOM 1111 CA GLU A 77 63.862 0.739 -5.236 1.00 0.00 C ATOM 1112 C GLU A 77 64.571 0.464 -3.906 1.00 0.00 C ATOM 1113 O GLU A 77 64.806 -0.669 -3.537 1.00 0.00 O ATOM 1114 CB GLU A 77 64.876 1.115 -6.317 1.00 0.00 C ATOM 1115 CG GLU A 77 65.671 -0.126 -6.726 1.00 0.00 C ATOM 1116 CD GLU A 77 64.860 -0.945 -7.732 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.987 -0.685 -8.917 1.00 0.00 O ATOM 1118 OE2 GLU A 77 64.123 -1.816 -7.299 1.00 0.00 O ATOM 0 H GLU A 77 63.354 2.796 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 77 63.308 -0.163 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.362 1.532 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.551 1.886 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.624 0.168 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.898 -0.731 -5.848 1.00 0.00 H new ATOM 1125 N PHE A 78 64.909 1.498 -3.183 1.00 0.00 N ATOM 1126 CA PHE A 78 65.599 1.304 -1.876 1.00 0.00 C ATOM 1127 C PHE A 78 64.704 0.510 -0.920 1.00 0.00 C ATOM 1128 O PHE A 78 65.163 -0.349 -0.193 1.00 0.00 O ATOM 1129 CB PHE A 78 65.836 2.721 -1.345 1.00 0.00 C ATOM 1130 CG PHE A 78 66.116 2.672 0.139 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.274 2.046 0.614 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.215 3.254 1.039 1.00 0.00 C ATOM 1133 CE1 PHE A 78 67.532 2.002 1.989 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.472 3.210 2.414 1.00 0.00 C ATOM 1135 CZ PHE A 78 66.631 2.584 2.889 1.00 0.00 C ATOM 0 H PHE A 78 64.737 2.469 -3.442 1.00 0.00 H new ATOM 0 HA PHE A 78 66.529 0.744 -1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.676 3.179 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 78 64.962 3.343 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 78 67.969 1.597 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.321 3.737 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.426 1.519 2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 78 64.777 3.659 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 78 66.830 2.550 3.950 1.00 0.00 H new ATOM 1145 N LEU A 79 63.430 0.790 -0.915 1.00 0.00 N ATOM 1146 CA LEU A 79 62.510 0.050 -0.005 1.00 0.00 C ATOM 1147 C LEU A 79 62.843 -1.443 -0.018 1.00 0.00 C ATOM 1148 O LEU A 79 62.687 -2.132 0.968 1.00 0.00 O ATOM 1149 CB LEU A 79 61.111 0.297 -0.571 1.00 0.00 C ATOM 1150 CG LEU A 79 60.618 1.677 -0.133 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.283 1.983 -0.816 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.427 1.693 1.386 1.00 0.00 C ATOM 0 H LEU A 79 62.986 1.498 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 79 62.594 0.383 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.132 0.235 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.424 -0.474 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 79 61.353 2.431 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 79 58.932 2.966 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 79 59.417 1.972 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.548 1.229 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.076 2.676 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.692 0.939 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.377 1.475 1.874 1.00 0.00 H new ATOM 1164 N VAL A 80 63.306 -1.947 -1.128 1.00 0.00 N ATOM 1165 CA VAL A 80 63.651 -3.395 -1.198 1.00 0.00 C ATOM 1166 C VAL A 80 64.888 -3.682 -0.345 1.00 0.00 C ATOM 1167 O VAL A 80 64.942 -4.652 0.383 1.00 0.00 O ATOM 1168 CB VAL A 80 63.945 -3.658 -2.674 1.00 0.00 C ATOM 1169 CG1 VAL A 80 64.124 -5.160 -2.901 1.00 0.00 C ATOM 1170 CG2 VAL A 80 62.779 -3.149 -3.525 1.00 0.00 C ATOM 0 H VAL A 80 63.460 -1.421 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 80 62.850 -4.032 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 80 64.859 -3.137 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 80 64.334 -5.346 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 80 64.955 -5.523 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.211 -5.683 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 62.988 -3.336 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 80 61.865 -3.669 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.652 -2.078 -3.365 1.00 0.00 H new ATOM 1180 N MET A 81 65.883 -2.844 -0.430 1.00 0.00 N ATOM 1181 CA MET A 81 67.119 -3.067 0.373 1.00 0.00 C ATOM 1182 C MET A 81 66.794 -3.087 1.869 1.00 0.00 C ATOM 1183 O MET A 81 66.775 -4.128 2.495 1.00 0.00 O ATOM 1184 CB MET A 81 68.023 -1.882 0.038 1.00 0.00 C ATOM 1185 CG MET A 81 69.072 -2.317 -0.986 1.00 0.00 C ATOM 1186 SD MET A 81 68.244 -2.955 -2.464 1.00 0.00 S ATOM 1187 CE MET A 81 67.981 -1.361 -3.279 1.00 0.00 C ATOM 0 H MET A 81 65.894 -2.013 -1.021 1.00 0.00 H new ATOM 0 HA MET A 81 67.590 -4.023 0.143 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.430 -1.059 -0.360 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.511 -1.516 0.941 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.710 -1.474 -1.249 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.717 -3.084 -0.558 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.882 -1.514 -4.354 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.072 -0.901 -2.893 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.831 -0.707 -3.082 1.00 0.00 H new ATOM 1197 N MET A 82 66.544 -1.944 2.450 1.00 0.00 N ATOM 1198 CA MET A 82 66.227 -1.903 3.909 1.00 0.00 C ATOM 1199 C MET A 82 65.241 -3.016 4.273 1.00 0.00 C ATOM 1200 O MET A 82 65.249 -3.525 5.377 1.00 0.00 O ATOM 1201 CB MET A 82 65.596 -0.528 4.163 1.00 0.00 C ATOM 1202 CG MET A 82 64.730 -0.113 2.972 1.00 0.00 C ATOM 1203 SD MET A 82 63.538 1.145 3.500 1.00 0.00 S ATOM 1204 CE MET A 82 62.107 0.049 3.668 1.00 0.00 C ATOM 0 H MET A 82 66.545 -1.039 1.980 1.00 0.00 H new ATOM 0 HA MET A 82 67.120 -2.053 4.516 1.00 0.00 H new ATOM 0 HB2 MET A 82 64.990 -0.560 5.068 1.00 0.00 H new ATOM 0 HB3 MET A 82 66.378 0.213 4.329 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.358 0.279 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.206 -0.980 2.570 1.00 0.00 H new ATOM 0 HE1 MET A 82 61.205 0.646 3.799 1.00 0.00 H new ATOM 0 HE2 MET A 82 62.010 -0.563 2.771 1.00 0.00 H new ATOM 0 HE3 MET A 82 62.243 -0.597 4.535 1.00 0.00 H new ATOM 1214 N VAL A 83 64.392 -3.396 3.359 1.00 0.00 N ATOM 1215 CA VAL A 83 63.408 -4.474 3.664 1.00 0.00 C ATOM 1216 C VAL A 83 64.048 -5.849 3.462 1.00 0.00 C ATOM 1217 O VAL A 83 64.192 -6.619 4.391 1.00 0.00 O ATOM 1218 CB VAL A 83 62.267 -4.258 2.673 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.335 -5.470 2.698 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.485 -3.003 3.067 1.00 0.00 C ATOM 0 H VAL A 83 64.336 -3.009 2.417 1.00 0.00 H new ATOM 0 HA VAL A 83 63.061 -4.438 4.697 1.00 0.00 H new ATOM 0 HB VAL A 83 62.673 -4.134 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.520 -5.317 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.893 -6.364 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.927 -5.594 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.669 -2.846 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.078 -3.128 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.150 -2.140 3.051 1.00 0.00 H new ATOM 1230 N ARG A 84 64.434 -6.165 2.256 1.00 0.00 N ATOM 1231 CA ARG A 84 65.064 -7.492 2.001 1.00 0.00 C ATOM 1232 C ARG A 84 66.067 -7.819 3.110 1.00 0.00 C ATOM 1233 O ARG A 84 66.327 -8.967 3.408 1.00 0.00 O ATOM 1234 CB ARG A 84 65.774 -7.341 0.656 1.00 0.00 C ATOM 1235 CG ARG A 84 64.740 -7.071 -0.438 1.00 0.00 C ATOM 1236 CD ARG A 84 64.521 -8.344 -1.259 1.00 0.00 C ATOM 1237 NE ARG A 84 65.394 -8.182 -2.454 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.691 -8.256 -2.330 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.221 -9.151 -1.543 1.00 0.00 N ATOM 1240 NH2 ARG A 84 67.457 -7.434 -2.992 1.00 0.00 N ATOM 0 H ARG A 84 64.341 -5.563 1.438 1.00 0.00 H new ATOM 0 HA ARG A 84 64.335 -8.302 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.493 -6.523 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.336 -8.246 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.800 -6.747 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.082 -6.263 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.791 -9.233 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.475 -8.455 -1.545 1.00 0.00 H new ATOM 0 HE ARG A 84 64.978 -8.013 -3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 84 66.622 -9.793 -1.024 1.00 0.00 H new ATOM 0 HH12 ARG A 84 68.235 -9.209 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 84 67.042 -6.733 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 84 68.471 -7.492 -2.895 1.00 0.00 H new ATOM 1254 N GLN A 85 66.629 -6.815 3.728 1.00 0.00 N ATOM 1255 CA GLN A 85 67.610 -7.067 4.822 1.00 0.00 C ATOM 1256 C GLN A 85 66.876 -7.283 6.146 1.00 0.00 C ATOM 1257 O GLN A 85 67.171 -8.196 6.891 1.00 0.00 O ATOM 1258 CB GLN A 85 68.467 -5.803 4.886 1.00 0.00 C ATOM 1259 CG GLN A 85 69.651 -6.034 5.826 1.00 0.00 C ATOM 1260 CD GLN A 85 70.465 -7.235 5.338 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.721 -7.372 4.159 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.884 -8.118 6.204 1.00 0.00 N ATOM 0 H GLN A 85 66.451 -5.832 3.522 1.00 0.00 H new ATOM 0 HA GLN A 85 68.212 -7.958 4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.826 -5.544 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.868 -4.963 5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.280 -5.145 5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.294 -6.211 6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.669 -8.003 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.426 -8.923 5.890 1.00 0.00 H new ATOM 1271 N MET A 86 65.918 -6.448 6.446 1.00 0.00 N ATOM 1272 CA MET A 86 65.164 -6.607 7.721 1.00 0.00 C ATOM 1273 C MET A 86 64.295 -7.865 7.669 1.00 0.00 C ATOM 1274 O MET A 86 63.901 -8.400 8.687 1.00 0.00 O ATOM 1275 CB MET A 86 64.291 -5.358 7.828 1.00 0.00 C ATOM 1276 CG MET A 86 64.731 -4.534 9.038 1.00 0.00 C ATOM 1277 SD MET A 86 63.407 -4.522 10.272 1.00 0.00 S ATOM 1278 CE MET A 86 62.571 -3.027 9.686 1.00 0.00 C ATOM 0 H MET A 86 65.626 -5.663 5.863 1.00 0.00 H new ATOM 0 HA MET A 86 65.827 -6.714 8.579 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.375 -4.763 6.919 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.243 -5.641 7.928 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.640 -4.956 9.468 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.966 -3.515 8.731 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.522 -3.057 9.982 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.047 -2.149 10.123 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.640 -2.974 8.599 1.00 0.00 H new ATOM 1288 N LYS A 87 63.994 -8.346 6.493 1.00 0.00 N ATOM 1289 CA LYS A 87 63.153 -9.571 6.391 1.00 0.00 C ATOM 1290 C LYS A 87 63.711 -10.651 7.320 1.00 0.00 C ATOM 1291 O LYS A 87 62.988 -11.486 7.825 1.00 0.00 O ATOM 1292 CB LYS A 87 63.258 -10.008 4.929 1.00 0.00 C ATOM 1293 CG LYS A 87 62.066 -9.455 4.145 1.00 0.00 C ATOM 1294 CD LYS A 87 61.167 -10.609 3.697 1.00 0.00 C ATOM 1295 CE LYS A 87 61.532 -11.019 2.269 1.00 0.00 C ATOM 1296 NZ LYS A 87 60.354 -10.631 1.444 1.00 0.00 N ATOM 0 H LYS A 87 64.293 -7.946 5.604 1.00 0.00 H new ATOM 0 HA LYS A 87 62.117 -9.395 6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.191 -9.647 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.277 -11.096 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.501 -8.760 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.416 -8.896 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.284 -11.458 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.121 -10.307 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 87 62.435 -10.511 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 87 61.725 -12.090 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 60.529 -10.881 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.511 -11.135 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.199 -9.606 1.521 1.00 0.00 H new ATOM 1310 N GLU A 88 64.994 -10.627 7.555 1.00 0.00 N ATOM 1311 CA GLU A 88 65.607 -11.640 8.460 1.00 0.00 C ATOM 1312 C GLU A 88 65.799 -11.040 9.855 1.00 0.00 C ATOM 1313 O GLU A 88 65.660 -11.714 10.857 1.00 0.00 O ATOM 1314 CB GLU A 88 66.957 -11.973 7.827 1.00 0.00 C ATOM 1315 CG GLU A 88 67.220 -13.476 7.947 1.00 0.00 C ATOM 1316 CD GLU A 88 68.361 -13.716 8.938 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.198 -13.364 10.096 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.378 -14.248 8.524 1.00 0.00 O ATOM 0 H GLU A 88 65.645 -9.949 7.159 1.00 0.00 H new ATOM 0 HA GLU A 88 64.985 -12.528 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 88 66.963 -11.675 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.751 -11.413 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 88 66.318 -13.988 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.477 -13.890 6.972 1.00 0.00 H new ATOM 1325 N ASP A 89 66.116 -9.774 9.928 1.00 0.00 N ATOM 1326 CA ASP A 89 66.313 -9.130 11.259 1.00 0.00 C ATOM 1327 C ASP A 89 64.959 -8.833 11.906 1.00 0.00 C ATOM 1328 O ASP A 89 64.838 -8.764 13.114 1.00 0.00 O ATOM 1329 CB ASP A 89 67.065 -7.831 10.964 1.00 0.00 C ATOM 1330 CG ASP A 89 67.121 -6.976 12.231 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.066 -6.628 12.735 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.219 -6.684 12.678 1.00 0.00 O ATOM 0 H ASP A 89 66.247 -9.159 9.125 1.00 0.00 H new ATOM 0 HA ASP A 89 66.862 -9.769 11.951 1.00 0.00 H new ATOM 0 HB2 ASP A 89 68.074 -8.053 10.617 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.567 -7.283 10.164 1.00 0.00 H new ATOM 1337 N ALA A 90 63.937 -8.659 11.114 1.00 0.00 N ATOM 1338 CA ALA A 90 62.591 -8.368 11.685 1.00 0.00 C ATOM 1339 C ALA A 90 61.902 -9.672 12.096 1.00 0.00 C ATOM 1340 O ALA A 90 61.693 -9.860 13.283 1.00 0.00 O ATOM 1341 CB ALA A 90 61.819 -7.688 10.555 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.596 -10.461 11.217 1.00 0.00 O ATOM 0 H ALA A 90 63.975 -8.706 10.096 1.00 0.00 H new ATOM 0 HA ALA A 90 62.646 -7.741 12.575 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.814 -7.441 10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.336 -6.775 10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.756 -8.362 9.701 1.00 0.00 H new