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 46 MET CE :methyl -108:sc= -7.4! (180deg=-12!) USER MOD Set 1.2: A 81 MET CE :methyl 151:sc= -9.07! (180deg=-12.7!) USER MOD Set 1.3: A 85 GLN : amide:sc= -1.01 K(o=-17,f=-19) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.827 K(o=-0.83,f=-5.1!) USER MOD Single : A 7 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.14) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 169:sc= 0 (180deg=-0.0207) USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.898) USER MOD Single : A 28 MET CE :methyl 170:sc= -1.89 (180deg=-2.5) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -4.94! C(o=-5.5!,f=-4.9!) USER MOD Single : A 52 ASN : amide:sc= -1.9! C(o=-1.9!,f=-4.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -32:sc= 0.0463 USER MOD Single : A 82 MET CE :methyl -165:sc= -1.18 (180deg=-2.15) USER MOD Single : A 86 MET CE :methyl -162:sc= 0 (180deg=-0.357) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.182 -6.363 -10.521 1.00 0.00 N ATOM 25 CA MET A 3 64.144 -5.256 -9.527 1.00 0.00 C ATOM 26 C MET A 3 62.858 -4.443 -9.689 1.00 0.00 C ATOM 27 O MET A 3 62.167 -4.158 -8.731 1.00 0.00 O ATOM 28 CB MET A 3 65.367 -4.403 -9.855 1.00 0.00 C ATOM 29 CG MET A 3 66.576 -4.922 -9.075 1.00 0.00 C ATOM 30 SD MET A 3 67.883 -5.395 -10.236 1.00 0.00 S ATOM 31 CE MET A 3 68.124 -7.083 -9.627 1.00 0.00 C ATOM 0 HA MET A 3 64.158 -5.616 -8.498 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.570 -4.436 -10.925 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.176 -3.361 -9.599 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.940 -4.153 -8.394 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.289 -5.778 -8.465 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.903 -7.573 -10.212 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.422 -7.053 -8.579 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.193 -7.641 -9.723 1.00 0.00 H new ATOM 41 N THR A 4 62.531 -4.069 -10.895 1.00 0.00 N ATOM 42 CA THR A 4 61.288 -3.276 -11.117 1.00 0.00 C ATOM 43 C THR A 4 60.096 -3.969 -10.453 1.00 0.00 C ATOM 44 O THR A 4 59.143 -3.334 -10.046 1.00 0.00 O ATOM 45 CB THR A 4 61.109 -3.238 -12.636 1.00 0.00 C ATOM 46 OG1 THR A 4 60.102 -2.293 -12.970 1.00 0.00 O ATOM 47 CG2 THR A 4 60.699 -4.623 -13.137 1.00 0.00 C ATOM 0 H THR A 4 63.070 -4.278 -11.736 1.00 0.00 H new ATOM 0 HA THR A 4 61.353 -2.275 -10.690 1.00 0.00 H new ATOM 0 HB THR A 4 62.049 -2.948 -13.106 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.988 -2.267 -13.943 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.572 -4.595 -14.219 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.473 -5.346 -12.881 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.759 -4.916 -12.668 1.00 0.00 H new ATOM 55 N ASP A 5 60.145 -5.268 -10.338 1.00 0.00 N ATOM 56 CA ASP A 5 59.017 -6.004 -9.697 1.00 0.00 C ATOM 57 C ASP A 5 59.259 -6.128 -8.191 1.00 0.00 C ATOM 58 O ASP A 5 58.353 -5.985 -7.394 1.00 0.00 O ATOM 59 CB ASP A 5 59.018 -7.383 -10.357 1.00 0.00 C ATOM 60 CG ASP A 5 57.577 -7.818 -10.634 1.00 0.00 C ATOM 61 OD1 ASP A 5 56.763 -6.955 -10.919 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.313 -9.007 -10.557 1.00 0.00 O ATOM 0 H ASP A 5 60.917 -5.852 -10.660 1.00 0.00 H new ATOM 0 HA ASP A 5 58.063 -5.493 -9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.585 -7.352 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.510 -8.108 -9.708 1.00 0.00 H new ATOM 67 N GLN A 6 60.474 -6.394 -7.796 1.00 0.00 N ATOM 68 CA GLN A 6 60.773 -6.525 -6.340 1.00 0.00 C ATOM 69 C GLN A 6 60.551 -5.186 -5.635 1.00 0.00 C ATOM 70 O GLN A 6 60.428 -5.121 -4.427 1.00 0.00 O ATOM 71 CB GLN A 6 62.247 -6.931 -6.272 1.00 0.00 C ATOM 72 CG GLN A 6 62.581 -7.409 -4.857 1.00 0.00 C ATOM 73 CD GLN A 6 62.532 -8.937 -4.808 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.545 -9.583 -4.633 1.00 0.00 O ATOM 75 NE2 GLN A 6 61.388 -9.547 -4.957 1.00 0.00 N ATOM 0 H GLN A 6 61.272 -6.526 -8.417 1.00 0.00 H new ATOM 0 HA GLN A 6 60.128 -7.254 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.450 -7.723 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.881 -6.086 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.571 -7.057 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.872 -6.989 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 6 60.536 -9.005 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 6 61.345 -10.566 -4.926 1.00 0.00 H new ATOM 84 N GLN A 7 60.494 -4.116 -6.379 1.00 0.00 N ATOM 85 CA GLN A 7 60.277 -2.781 -5.752 1.00 0.00 C ATOM 86 C GLN A 7 58.912 -2.742 -5.060 1.00 0.00 C ATOM 87 O GLN A 7 58.786 -2.289 -3.940 1.00 0.00 O ATOM 88 CB GLN A 7 60.321 -1.786 -6.913 1.00 0.00 C ATOM 89 CG GLN A 7 61.702 -1.132 -6.974 1.00 0.00 C ATOM 90 CD GLN A 7 62.074 -0.857 -8.431 1.00 0.00 C ATOM 91 OE1 GLN A 7 61.388 -0.126 -9.118 1.00 0.00 O ATOM 92 NE2 GLN A 7 63.139 -1.415 -8.938 1.00 0.00 N ATOM 0 H GLN A 7 60.588 -4.108 -7.395 1.00 0.00 H new ATOM 0 HA GLN A 7 61.025 -2.552 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.107 -2.297 -7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.552 -1.025 -6.782 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.700 -0.201 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.445 -1.784 -6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 7 63.716 -2.029 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 7 63.395 -1.237 -9.909 1.00 0.00 H new ATOM 101 N ALA A 8 57.890 -3.217 -5.718 1.00 0.00 N ATOM 102 CA ALA A 8 56.535 -3.209 -5.096 1.00 0.00 C ATOM 103 C ALA A 8 56.501 -4.163 -3.899 1.00 0.00 C ATOM 104 O ALA A 8 56.281 -3.757 -2.775 1.00 0.00 O ATOM 105 CB ALA A 8 55.591 -3.694 -6.196 1.00 0.00 C ATOM 0 H ALA A 8 57.934 -3.610 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 8 56.255 -2.223 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.570 -3.716 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.646 -3.016 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.883 -4.696 -6.510 1.00 0.00 H new ATOM 111 N GLU A 9 56.724 -5.429 -4.130 1.00 0.00 N ATOM 112 CA GLU A 9 56.708 -6.405 -3.004 1.00 0.00 C ATOM 113 C GLU A 9 57.665 -5.947 -1.900 1.00 0.00 C ATOM 114 O GLU A 9 57.566 -6.372 -0.765 1.00 0.00 O ATOM 115 CB GLU A 9 57.188 -7.722 -3.618 1.00 0.00 C ATOM 116 CG GLU A 9 56.748 -8.888 -2.732 1.00 0.00 C ATOM 117 CD GLU A 9 57.210 -10.206 -3.357 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.347 -10.264 -3.795 1.00 0.00 O ATOM 119 OE2 GLU A 9 56.419 -11.135 -3.386 1.00 0.00 O ATOM 0 H GLU A 9 56.916 -5.828 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 9 55.721 -6.502 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.778 -7.839 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.274 -7.715 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 9 57.170 -8.779 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.664 -8.886 -2.622 1.00 0.00 H new ATOM 126 N ALA A 10 58.588 -5.084 -2.225 1.00 0.00 N ATOM 127 CA ALA A 10 59.550 -4.596 -1.196 1.00 0.00 C ATOM 128 C ALA A 10 58.869 -3.581 -0.275 1.00 0.00 C ATOM 129 O ALA A 10 58.683 -3.821 0.902 1.00 0.00 O ATOM 130 CB ALA A 10 60.672 -3.928 -1.992 1.00 0.00 C ATOM 0 H ALA A 10 58.718 -4.695 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 10 59.921 -5.401 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.424 -3.540 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.131 -4.659 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.262 -3.108 -2.581 1.00 0.00 H new ATOM 136 N ARG A 11 58.493 -2.448 -0.802 1.00 0.00 N ATOM 137 CA ARG A 11 57.821 -1.418 0.040 1.00 0.00 C ATOM 138 C ARG A 11 56.433 -1.905 0.466 1.00 0.00 C ATOM 139 O ARG A 11 55.893 -1.475 1.465 1.00 0.00 O ATOM 140 CB ARG A 11 57.702 -0.190 -0.862 1.00 0.00 C ATOM 141 CG ARG A 11 56.690 -0.472 -1.975 1.00 0.00 C ATOM 142 CD ARG A 11 57.230 0.059 -3.305 1.00 0.00 C ATOM 143 NE ARG A 11 56.611 1.404 -3.463 1.00 0.00 N ATOM 144 CZ ARG A 11 56.686 2.024 -4.608 1.00 0.00 C ATOM 145 NH1 ARG A 11 57.851 2.308 -5.123 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.595 2.362 -5.239 1.00 0.00 N ATOM 0 H ARG A 11 58.622 -2.191 -1.781 1.00 0.00 H new ATOM 0 HA ARG A 11 58.376 -1.204 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 11 57.385 0.674 -0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.673 0.054 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.504 -1.543 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 11 55.737 0.002 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.318 0.124 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.961 -0.599 -4.131 1.00 0.00 H new ATOM 0 HE ARG A 11 56.129 1.840 -2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 11 58.704 2.045 -4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 11 57.908 2.793 -6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.684 2.141 -4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.653 2.847 -6.134 1.00 0.00 H new ATOM 160 N ALA A 12 55.853 -2.799 -0.287 1.00 0.00 N ATOM 161 CA ALA A 12 54.501 -3.313 0.071 1.00 0.00 C ATOM 162 C ALA A 12 54.602 -4.313 1.228 1.00 0.00 C ATOM 163 O ALA A 12 53.619 -4.883 1.657 1.00 0.00 O ATOM 164 CB ALA A 12 53.995 -4.004 -1.195 1.00 0.00 C ATOM 0 H ALA A 12 56.257 -3.196 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 12 53.830 -2.519 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 12 53.000 -4.412 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.949 -3.282 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.675 -4.812 -1.465 1.00 0.00 H new ATOM 170 N PHE A 13 55.785 -4.530 1.734 1.00 0.00 N ATOM 171 CA PHE A 13 55.951 -5.491 2.862 1.00 0.00 C ATOM 172 C PHE A 13 55.522 -4.833 4.180 1.00 0.00 C ATOM 173 O PHE A 13 55.341 -5.493 5.184 1.00 0.00 O ATOM 174 CB PHE A 13 57.449 -5.827 2.869 1.00 0.00 C ATOM 175 CG PHE A 13 57.877 -6.268 4.249 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.515 -7.533 4.727 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.634 -5.405 5.051 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.910 -7.934 6.009 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.029 -5.807 6.330 1.00 0.00 C ATOM 180 CZ PHE A 13 58.667 -7.071 6.811 1.00 0.00 C ATOM 0 H PHE A 13 56.645 -4.083 1.415 1.00 0.00 H new ATOM 0 HA PHE A 13 55.339 -6.386 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.656 -6.616 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.026 -4.955 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.932 -8.199 4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.912 -4.429 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.631 -8.909 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.614 -5.142 6.948 1.00 0.00 H new ATOM 0 HZ PHE A 13 58.971 -7.380 7.800 1.00 0.00 H new ATOM 190 N LEU A 14 55.361 -3.538 4.185 1.00 0.00 N ATOM 191 CA LEU A 14 54.946 -2.845 5.439 1.00 0.00 C ATOM 192 C LEU A 14 53.766 -1.903 5.175 1.00 0.00 C ATOM 193 O LEU A 14 53.261 -1.819 4.072 1.00 0.00 O ATOM 194 CB LEU A 14 56.183 -2.065 5.925 1.00 0.00 C ATOM 195 CG LEU A 14 56.869 -1.298 4.777 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.647 -2.269 3.887 1.00 0.00 C ATOM 197 CD2 LEU A 14 55.835 -0.545 3.935 1.00 0.00 C ATOM 0 H LEU A 14 55.498 -2.930 3.377 1.00 0.00 H new ATOM 0 HA LEU A 14 54.609 -3.555 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 14 55.886 -1.363 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.895 -2.757 6.375 1.00 0.00 H new ATOM 0 HG LEU A 14 57.559 -0.576 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.128 -1.717 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.406 -2.778 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 14 56.962 -3.005 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 14 56.340 -0.011 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 14 55.126 -1.255 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 55.302 0.167 4.565 1.00 0.00 H new ATOM 209 N SER A 15 53.323 -1.195 6.178 1.00 0.00 N ATOM 210 CA SER A 15 52.176 -0.260 5.986 1.00 0.00 C ATOM 211 C SER A 15 52.681 1.118 5.549 1.00 0.00 C ATOM 212 O SER A 15 53.868 1.372 5.512 1.00 0.00 O ATOM 213 CB SER A 15 51.503 -0.174 7.355 1.00 0.00 C ATOM 214 OG SER A 15 50.159 -0.625 7.247 1.00 0.00 O ATOM 0 H SER A 15 53.706 -1.223 7.123 1.00 0.00 H new ATOM 0 HA SER A 15 51.488 -0.604 5.213 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.046 -0.782 8.079 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.526 0.853 7.720 1.00 0.00 H new ATOM 0 HG SER A 15 49.725 -0.573 8.124 1.00 0.00 H new ATOM 220 N GLU A 16 51.787 2.010 5.217 1.00 0.00 N ATOM 221 CA GLU A 16 52.215 3.370 4.782 1.00 0.00 C ATOM 222 C GLU A 16 53.026 4.050 5.887 1.00 0.00 C ATOM 223 O GLU A 16 53.859 4.897 5.626 1.00 0.00 O ATOM 224 CB GLU A 16 50.914 4.129 4.524 1.00 0.00 C ATOM 225 CG GLU A 16 51.236 5.557 4.082 1.00 0.00 C ATOM 226 CD GLU A 16 50.912 5.717 2.595 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.801 5.389 2.213 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.781 6.165 1.865 1.00 0.00 O ATOM 0 H GLU A 16 50.779 1.855 5.228 1.00 0.00 H new ATOM 0 HA GLU A 16 52.852 3.340 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.331 3.622 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.305 4.145 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.658 6.270 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.289 5.776 4.261 1.00 0.00 H new ATOM 235 N GLU A 17 52.793 3.690 7.118 1.00 0.00 N ATOM 236 CA GLU A 17 53.554 4.318 8.235 1.00 0.00 C ATOM 237 C GLU A 17 55.046 4.003 8.098 1.00 0.00 C ATOM 238 O GLU A 17 55.869 4.889 7.988 1.00 0.00 O ATOM 239 CB GLU A 17 52.986 3.689 9.507 1.00 0.00 C ATOM 240 CG GLU A 17 51.583 4.242 9.766 1.00 0.00 C ATOM 241 CD GLU A 17 51.279 4.185 11.264 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.953 4.874 12.011 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.378 3.453 11.639 1.00 0.00 O ATOM 0 H GLU A 17 52.109 2.988 7.400 1.00 0.00 H new ATOM 0 HA GLU A 17 53.458 5.404 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.948 2.605 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.636 3.906 10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.514 5.270 9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 17 50.844 3.662 9.212 1.00 0.00 H new ATOM 250 N MET A 18 55.400 2.747 8.102 1.00 0.00 N ATOM 251 CA MET A 18 56.838 2.379 7.970 1.00 0.00 C ATOM 252 C MET A 18 57.496 3.211 6.864 1.00 0.00 C ATOM 253 O MET A 18 58.471 3.898 7.089 1.00 0.00 O ATOM 254 CB MET A 18 56.837 0.896 7.599 1.00 0.00 C ATOM 255 CG MET A 18 58.262 0.347 7.687 1.00 0.00 C ATOM 256 SD MET A 18 58.254 -1.210 8.610 1.00 0.00 S ATOM 257 CE MET A 18 58.628 -0.512 10.237 1.00 0.00 C ATOM 0 H MET A 18 54.756 1.961 8.191 1.00 0.00 H new ATOM 0 HA MET A 18 57.399 2.567 8.886 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.181 0.343 8.271 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.446 0.763 6.590 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.664 0.187 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.912 1.070 8.179 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.481 -1.274 11.002 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.663 -0.172 10.258 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.966 0.331 10.432 1.00 0.00 H new ATOM 267 N ILE A 19 56.966 3.156 5.673 1.00 0.00 N ATOM 268 CA ILE A 19 57.560 3.947 4.558 1.00 0.00 C ATOM 269 C ILE A 19 57.904 5.357 5.045 1.00 0.00 C ATOM 270 O ILE A 19 58.945 5.899 4.725 1.00 0.00 O ATOM 271 CB ILE A 19 56.473 3.996 3.483 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.436 2.659 2.739 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.775 5.121 2.492 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.018 2.395 2.230 1.00 0.00 C ATOM 0 H ILE A 19 56.149 2.599 5.424 1.00 0.00 H new ATOM 0 HA ILE A 19 58.482 3.507 4.179 1.00 0.00 H new ATOM 0 HB ILE A 19 55.508 4.182 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.136 2.677 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.751 1.853 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.998 5.152 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.802 6.074 3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.741 4.940 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.993 1.443 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.329 2.359 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.720 3.195 1.552 1.00 0.00 H new ATOM 286 N ALA A 20 57.040 5.952 5.819 1.00 0.00 N ATOM 287 CA ALA A 20 57.319 7.324 6.331 1.00 0.00 C ATOM 288 C ALA A 20 58.430 7.275 7.383 1.00 0.00 C ATOM 289 O ALA A 20 59.176 8.218 7.557 1.00 0.00 O ATOM 290 CB ALA A 20 56.004 7.787 6.958 1.00 0.00 C ATOM 0 H ALA A 20 56.153 5.548 6.120 1.00 0.00 H new ATOM 0 HA ALA A 20 57.654 8.001 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.127 8.793 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.221 7.792 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.725 7.107 7.763 1.00 0.00 H new ATOM 296 N GLU A 21 58.547 6.179 8.084 1.00 0.00 N ATOM 297 CA GLU A 21 59.611 6.069 9.122 1.00 0.00 C ATOM 298 C GLU A 21 60.993 6.071 8.461 1.00 0.00 C ATOM 299 O GLU A 21 61.908 6.726 8.917 1.00 0.00 O ATOM 300 CB GLU A 21 59.351 4.732 9.819 1.00 0.00 C ATOM 301 CG GLU A 21 60.585 4.329 10.629 1.00 0.00 C ATOM 302 CD GLU A 21 60.145 3.756 11.978 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.823 2.581 12.022 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.141 4.502 12.943 1.00 0.00 O ATOM 0 H GLU A 21 57.952 5.357 7.982 1.00 0.00 H new ATOM 0 HA GLU A 21 59.592 6.903 9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.484 4.814 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.121 3.964 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.168 3.589 10.080 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.231 5.194 10.782 1.00 0.00 H new ATOM 311 N PHE A 22 61.149 5.343 7.388 1.00 0.00 N ATOM 312 CA PHE A 22 62.471 5.307 6.700 1.00 0.00 C ATOM 313 C PHE A 22 62.696 6.607 5.923 1.00 0.00 C ATOM 314 O PHE A 22 63.812 6.972 5.613 1.00 0.00 O ATOM 315 CB PHE A 22 62.391 4.115 5.743 1.00 0.00 C ATOM 316 CG PHE A 22 61.975 2.872 6.501 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.131 2.808 7.892 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.433 1.781 5.808 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.746 1.655 8.588 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.048 0.629 6.505 1.00 0.00 C ATOM 321 CZ PHE A 22 61.204 0.567 7.895 1.00 0.00 C ATOM 0 H PHE A 22 60.420 4.773 6.959 1.00 0.00 H new ATOM 0 HA PHE A 22 63.299 5.208 7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.675 4.323 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.358 3.954 5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.548 3.648 8.428 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.312 1.829 4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.868 1.606 9.660 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.631 -0.212 5.970 1.00 0.00 H new ATOM 0 HZ PHE A 22 60.906 -0.321 8.433 1.00 0.00 H new ATOM 331 N LYS A 23 61.642 7.311 5.608 1.00 0.00 N ATOM 332 CA LYS A 23 61.796 8.588 4.853 1.00 0.00 C ATOM 333 C LYS A 23 62.630 9.583 5.664 1.00 0.00 C ATOM 334 O LYS A 23 63.714 9.964 5.270 1.00 0.00 O ATOM 335 CB LYS A 23 60.372 9.111 4.665 1.00 0.00 C ATOM 336 CG LYS A 23 60.293 9.927 3.373 1.00 0.00 C ATOM 337 CD LYS A 23 60.654 9.037 2.183 1.00 0.00 C ATOM 338 CE LYS A 23 59.948 9.550 0.926 1.00 0.00 C ATOM 339 NZ LYS A 23 60.295 10.996 0.854 1.00 0.00 N ATOM 0 H LYS A 23 60.682 7.057 5.841 1.00 0.00 H new ATOM 0 HA LYS A 23 62.307 8.446 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.670 8.278 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.085 9.729 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.289 10.331 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.974 10.776 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.733 9.036 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.359 8.007 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 23 60.287 9.018 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.870 9.405 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 60.281 11.307 -0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.602 11.547 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 61.245 11.145 1.250 1.00 0.00 H new ATOM 353 N ALA A 24 62.134 10.006 6.795 1.00 0.00 N ATOM 354 CA ALA A 24 62.902 10.975 7.628 1.00 0.00 C ATOM 355 C ALA A 24 64.332 10.470 7.840 1.00 0.00 C ATOM 356 O ALA A 24 65.232 11.230 8.135 1.00 0.00 O ATOM 357 CB ALA A 24 62.154 11.036 8.960 1.00 0.00 C ATOM 0 H ALA A 24 61.232 9.723 7.178 1.00 0.00 H new ATOM 0 HA ALA A 24 62.976 11.955 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.660 11.731 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.133 11.376 8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.135 10.045 9.413 1.00 0.00 H new ATOM 363 N ALA A 25 64.546 9.192 7.689 1.00 0.00 N ATOM 364 CA ALA A 25 65.917 8.638 7.881 1.00 0.00 C ATOM 365 C ALA A 25 66.646 8.550 6.538 1.00 0.00 C ATOM 366 O ALA A 25 67.843 8.745 6.456 1.00 0.00 O ATOM 367 CB ALA A 25 65.703 7.242 8.467 1.00 0.00 C ATOM 0 H ALA A 25 63.832 8.507 7.441 1.00 0.00 H new ATOM 0 HA ALA A 25 66.527 9.264 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.669 6.767 8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.166 7.323 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.121 6.640 7.769 1.00 0.00 H new ATOM 373 N PHE A 26 65.934 8.259 5.482 1.00 0.00 N ATOM 374 CA PHE A 26 66.589 8.162 4.147 1.00 0.00 C ATOM 375 C PHE A 26 67.122 9.532 3.719 1.00 0.00 C ATOM 376 O PHE A 26 68.109 9.634 3.018 1.00 0.00 O ATOM 377 CB PHE A 26 65.487 7.693 3.196 1.00 0.00 C ATOM 378 CG PHE A 26 66.084 7.401 1.840 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.681 6.160 1.590 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.043 8.373 0.833 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.237 5.890 0.335 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.599 8.103 -0.423 1.00 0.00 C ATOM 383 CZ PHE A 26 67.197 6.862 -0.672 1.00 0.00 C ATOM 0 H PHE A 26 64.929 8.085 5.487 1.00 0.00 H new ATOM 0 HA PHE A 26 67.438 7.479 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.005 6.800 3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.717 8.459 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.712 5.410 2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.583 9.331 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.697 4.932 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.567 8.852 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.627 6.654 -1.641 1.00 0.00 H new ATOM 393 N ASP A 27 66.476 10.586 4.138 1.00 0.00 N ATOM 394 CA ASP A 27 66.945 11.949 3.757 1.00 0.00 C ATOM 395 C ASP A 27 68.253 12.280 4.482 1.00 0.00 C ATOM 396 O ASP A 27 68.852 13.313 4.262 1.00 0.00 O ATOM 397 CB ASP A 27 65.830 12.894 4.207 1.00 0.00 C ATOM 398 CG ASP A 27 64.534 12.536 3.480 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.615 11.894 2.447 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.480 12.910 3.970 1.00 0.00 O ATOM 0 H ASP A 27 65.644 10.562 4.728 1.00 0.00 H new ATOM 0 HA ASP A 27 67.143 12.033 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.688 12.818 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.106 13.927 3.994 1.00 0.00 H new ATOM 405 N MET A 28 68.696 11.411 5.349 1.00 0.00 N ATOM 406 CA MET A 28 69.962 11.676 6.089 1.00 0.00 C ATOM 407 C MET A 28 71.122 11.867 5.108 1.00 0.00 C ATOM 408 O MET A 28 72.115 12.495 5.421 1.00 0.00 O ATOM 409 CB MET A 28 70.187 10.432 6.948 1.00 0.00 C ATOM 410 CG MET A 28 69.241 10.464 8.150 1.00 0.00 C ATOM 411 SD MET A 28 70.168 10.929 9.633 1.00 0.00 S ATOM 412 CE MET A 28 70.756 12.534 9.040 1.00 0.00 C ATOM 0 H MET A 28 68.236 10.529 5.577 1.00 0.00 H new ATOM 0 HA MET A 28 69.904 12.583 6.691 1.00 0.00 H new ATOM 0 HB2 MET A 28 70.012 9.533 6.358 1.00 0.00 H new ATOM 0 HB3 MET A 28 71.222 10.394 7.287 1.00 0.00 H new ATOM 0 HG2 MET A 28 68.435 11.176 7.973 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.778 9.487 8.289 1.00 0.00 H new ATOM 0 HE1 MET A 28 71.209 13.083 9.865 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.497 12.383 8.255 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.917 13.105 8.642 1.00 0.00 H new ATOM 422 N PHE A 29 71.009 11.328 3.925 1.00 0.00 N ATOM 423 CA PHE A 29 72.108 11.478 2.930 1.00 0.00 C ATOM 424 C PHE A 29 71.554 12.078 1.636 1.00 0.00 C ATOM 425 O PHE A 29 72.173 12.014 0.593 1.00 0.00 O ATOM 426 CB PHE A 29 72.633 10.058 2.683 1.00 0.00 C ATOM 427 CG PHE A 29 72.627 9.276 3.977 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.470 8.597 4.375 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.775 9.234 4.777 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.460 7.875 5.572 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.765 8.510 5.975 1.00 0.00 C ATOM 432 CZ PHE A 29 72.607 7.831 6.373 1.00 0.00 C ATOM 0 H PHE A 29 70.203 10.790 3.605 1.00 0.00 H new ATOM 0 HA PHE A 29 72.898 12.140 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.013 9.555 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.644 10.100 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.585 8.631 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.667 9.760 4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.567 7.351 5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.651 8.475 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.599 7.273 7.298 1.00 0.00 H new ATOM 442 N ASP A 30 70.389 12.662 1.700 1.00 0.00 N ATOM 443 CA ASP A 30 69.787 13.268 0.479 1.00 0.00 C ATOM 444 C ASP A 30 70.646 14.441 -0.002 1.00 0.00 C ATOM 445 O ASP A 30 70.408 15.582 0.340 1.00 0.00 O ATOM 446 CB ASP A 30 68.405 13.750 0.918 1.00 0.00 C ATOM 447 CG ASP A 30 67.872 14.778 -0.082 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.402 14.367 -1.130 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.945 15.958 0.219 1.00 0.00 O ATOM 0 H ASP A 30 69.827 12.746 2.547 1.00 0.00 H new ATOM 0 HA ASP A 30 69.724 12.563 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.720 12.905 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.463 14.193 1.912 1.00 0.00 H new ATOM 490 N GLY A 35 65.100 11.838 -3.850 1.00 0.00 N ATOM 491 CA GLY A 35 64.710 10.555 -3.199 1.00 0.00 C ATOM 492 C GLY A 35 65.765 9.489 -3.499 1.00 0.00 C ATOM 493 O GLY A 35 65.448 8.366 -3.835 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.616 10.695 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 35 63.736 10.231 -3.565 1.00 0.00 H new ATOM 497 N ASP A 36 67.019 9.833 -3.380 1.00 0.00 N ATOM 498 CA ASP A 36 68.093 8.837 -3.659 1.00 0.00 C ATOM 499 C ASP A 36 69.433 9.331 -3.106 1.00 0.00 C ATOM 500 O ASP A 36 69.858 10.436 -3.380 1.00 0.00 O ATOM 501 CB ASP A 36 68.152 8.735 -5.184 1.00 0.00 C ATOM 502 CG ASP A 36 68.379 10.124 -5.781 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.508 10.585 -5.744 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.421 10.704 -6.264 1.00 0.00 O ATOM 0 H ASP A 36 67.346 10.759 -3.102 1.00 0.00 H new ATOM 0 HA ASP A 36 67.891 7.873 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.957 8.063 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.224 8.311 -5.567 1.00 0.00 H new ATOM 509 N ILE A 37 70.104 8.522 -2.333 1.00 0.00 N ATOM 510 CA ILE A 37 71.417 8.947 -1.769 1.00 0.00 C ATOM 511 C ILE A 37 72.560 8.301 -2.557 1.00 0.00 C ATOM 512 O ILE A 37 72.337 7.571 -3.502 1.00 0.00 O ATOM 513 CB ILE A 37 71.408 8.456 -0.322 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.472 6.927 -0.297 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.123 8.922 0.367 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.378 6.438 1.149 1.00 0.00 C ATOM 0 H ILE A 37 69.800 7.585 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 37 71.564 10.026 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 37 72.272 8.863 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.657 6.508 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.403 6.584 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.116 8.572 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.077 10.011 0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.260 8.515 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.423 5.349 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.208 6.846 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.436 6.770 1.585 1.00 0.00 H new ATOM 528 N SER A 38 73.781 8.564 -2.181 1.00 0.00 N ATOM 529 CA SER A 38 74.933 7.964 -2.917 1.00 0.00 C ATOM 530 C SER A 38 74.912 6.439 -2.787 1.00 0.00 C ATOM 531 O SER A 38 74.754 5.899 -1.711 1.00 0.00 O ATOM 532 CB SER A 38 76.178 8.544 -2.245 1.00 0.00 C ATOM 533 OG SER A 38 77.307 8.324 -3.081 1.00 0.00 O ATOM 0 H SER A 38 74.032 9.167 -1.398 1.00 0.00 H new ATOM 0 HA SER A 38 74.903 8.189 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.045 9.611 -2.066 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.333 8.075 -1.273 1.00 0.00 H new ATOM 0 HG SER A 38 78.107 8.696 -2.655 1.00 0.00 H new ATOM 539 N THR A 39 75.073 5.741 -3.878 1.00 0.00 N ATOM 540 CA THR A 39 75.064 4.251 -3.820 1.00 0.00 C ATOM 541 C THR A 39 75.992 3.758 -2.708 1.00 0.00 C ATOM 542 O THR A 39 75.776 2.716 -2.122 1.00 0.00 O ATOM 543 CB THR A 39 75.579 3.798 -5.188 1.00 0.00 C ATOM 544 OG1 THR A 39 76.625 4.663 -5.607 1.00 0.00 O ATOM 545 CG2 THR A 39 74.439 3.842 -6.206 1.00 0.00 C ATOM 0 H THR A 39 75.210 6.138 -4.807 1.00 0.00 H new ATOM 0 HA THR A 39 74.072 3.853 -3.605 1.00 0.00 H new ATOM 0 HB THR A 39 75.957 2.778 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.958 4.374 -6.482 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.808 3.519 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.637 3.178 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.058 4.860 -6.282 1.00 0.00 H new ATOM 553 N LYS A 40 77.023 4.501 -2.410 1.00 0.00 N ATOM 554 CA LYS A 40 77.962 4.074 -1.334 1.00 0.00 C ATOM 555 C LYS A 40 77.347 4.345 0.040 1.00 0.00 C ATOM 556 O LYS A 40 77.886 3.966 1.061 1.00 0.00 O ATOM 557 CB LYS A 40 79.215 4.925 -1.539 1.00 0.00 C ATOM 558 CG LYS A 40 80.432 4.185 -0.984 1.00 0.00 C ATOM 559 CD LYS A 40 81.679 5.057 -1.148 1.00 0.00 C ATOM 560 CE LYS A 40 81.797 6.006 0.048 1.00 0.00 C ATOM 561 NZ LYS A 40 82.660 7.121 -0.432 1.00 0.00 N ATOM 0 H LYS A 40 77.255 5.384 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 40 78.184 3.008 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.356 5.134 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.101 5.886 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.277 3.947 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.566 3.239 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.568 4.430 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.618 5.628 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 40 80.819 6.370 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.241 5.505 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.788 7.814 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.587 6.745 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.208 7.583 -1.247 1.00 0.00 H new ATOM 575 N GLU A 41 76.219 5.001 0.073 1.00 0.00 N ATOM 576 CA GLU A 41 75.567 5.298 1.379 1.00 0.00 C ATOM 577 C GLU A 41 74.304 4.446 1.540 1.00 0.00 C ATOM 578 O GLU A 41 73.579 4.571 2.507 1.00 0.00 O ATOM 579 CB GLU A 41 75.208 6.782 1.310 1.00 0.00 C ATOM 580 CG GLU A 41 74.704 7.248 2.676 1.00 0.00 C ATOM 581 CD GLU A 41 75.855 7.887 3.455 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.619 8.620 2.850 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.952 7.632 4.644 1.00 0.00 O ATOM 0 H GLU A 41 75.721 5.344 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 41 76.213 5.074 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.080 7.365 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.442 6.947 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.893 7.966 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.299 6.403 3.233 1.00 0.00 H new ATOM 590 N LEU A 42 74.037 3.582 0.600 1.00 0.00 N ATOM 591 CA LEU A 42 72.823 2.723 0.699 1.00 0.00 C ATOM 592 C LEU A 42 72.987 1.707 1.833 1.00 0.00 C ATOM 593 O LEU A 42 72.033 1.105 2.283 1.00 0.00 O ATOM 594 CB LEU A 42 72.729 2.015 -0.654 1.00 0.00 C ATOM 595 CG LEU A 42 71.786 0.816 -0.544 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.851 0.788 -1.754 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.609 -0.474 -0.507 1.00 0.00 C ATOM 0 H LEU A 42 74.607 3.433 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 42 71.924 3.298 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.365 2.707 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.718 1.684 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 42 71.196 0.900 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.179 -0.067 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.266 1.707 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.440 0.703 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.940 -1.331 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.198 -0.556 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.276 -0.455 0.355 1.00 0.00 H new ATOM 609 N GLY A 43 74.191 1.513 2.298 1.00 0.00 N ATOM 610 CA GLY A 43 74.418 0.537 3.402 1.00 0.00 C ATOM 611 C GLY A 43 74.098 1.198 4.744 1.00 0.00 C ATOM 612 O GLY A 43 73.516 0.592 5.621 1.00 0.00 O ATOM 0 H GLY A 43 75.028 1.989 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.790 -0.342 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.453 0.194 3.391 1.00 0.00 H new ATOM 616 N THR A 44 74.474 2.436 4.912 1.00 0.00 N ATOM 617 CA THR A 44 74.192 3.132 6.201 1.00 0.00 C ATOM 618 C THR A 44 72.691 3.399 6.345 1.00 0.00 C ATOM 619 O THR A 44 72.110 3.182 7.390 1.00 0.00 O ATOM 620 CB THR A 44 74.966 4.450 6.117 1.00 0.00 C ATOM 621 OG1 THR A 44 76.347 4.201 6.340 1.00 0.00 O ATOM 622 CG2 THR A 44 74.444 5.424 7.176 1.00 0.00 C ATOM 0 H THR A 44 74.964 2.996 4.214 1.00 0.00 H new ATOM 0 HA THR A 44 74.491 2.537 7.064 1.00 0.00 H new ATOM 0 HB THR A 44 74.829 4.888 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.844 5.044 6.285 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.997 6.361 7.113 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.385 5.616 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.577 4.990 8.167 1.00 0.00 H new ATOM 630 N VAL A 45 72.060 3.872 5.306 1.00 0.00 N ATOM 631 CA VAL A 45 70.599 4.156 5.390 1.00 0.00 C ATOM 632 C VAL A 45 69.838 2.913 5.863 1.00 0.00 C ATOM 633 O VAL A 45 68.992 2.987 6.731 1.00 0.00 O ATOM 634 CB VAL A 45 70.185 4.534 3.967 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.554 3.404 3.005 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.675 4.766 3.922 1.00 0.00 C ATOM 0 H VAL A 45 72.491 4.074 4.404 1.00 0.00 H new ATOM 0 HA VAL A 45 70.375 4.949 6.103 1.00 0.00 H new ATOM 0 HB VAL A 45 70.705 5.445 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.257 3.677 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.631 3.237 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.037 2.491 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.378 5.036 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.158 3.854 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.411 5.574 4.604 1.00 0.00 H new ATOM 646 N MET A 46 70.131 1.772 5.302 1.00 0.00 N ATOM 647 CA MET A 46 69.419 0.532 5.725 1.00 0.00 C ATOM 648 C MET A 46 70.031 -0.019 7.018 1.00 0.00 C ATOM 649 O MET A 46 69.394 -0.742 7.758 1.00 0.00 O ATOM 650 CB MET A 46 69.610 -0.453 4.568 1.00 0.00 C ATOM 651 CG MET A 46 71.034 -1.016 4.590 1.00 0.00 C ATOM 652 SD MET A 46 70.989 -2.746 5.123 1.00 0.00 S ATOM 653 CE MET A 46 69.794 -3.331 3.898 1.00 0.00 C ATOM 0 H MET A 46 70.831 1.644 4.571 1.00 0.00 H new ATOM 0 HA MET A 46 68.364 0.712 5.931 1.00 0.00 H new ATOM 0 HB2 MET A 46 68.888 -1.265 4.648 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.423 0.048 3.618 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.482 -0.941 3.599 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.657 -0.432 5.267 1.00 0.00 H new ATOM 0 HE1 MET A 46 68.841 -3.533 4.387 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.654 -2.568 3.133 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.165 -4.245 3.435 1.00 0.00 H new ATOM 663 N ARG A 47 71.262 0.316 7.295 1.00 0.00 N ATOM 664 CA ARG A 47 71.913 -0.192 8.537 1.00 0.00 C ATOM 665 C ARG A 47 71.530 0.679 9.738 1.00 0.00 C ATOM 666 O ARG A 47 71.202 0.182 10.797 1.00 0.00 O ATOM 667 CB ARG A 47 73.414 -0.100 8.261 1.00 0.00 C ATOM 668 CG ARG A 47 74.188 -0.745 9.412 1.00 0.00 C ATOM 669 CD ARG A 47 75.651 -0.297 9.358 1.00 0.00 C ATOM 670 NE ARG A 47 76.431 -1.549 9.155 1.00 0.00 N ATOM 671 CZ ARG A 47 77.689 -1.596 9.499 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.016 -1.738 10.754 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.619 -1.501 8.588 1.00 0.00 N ATOM 0 H ARG A 47 71.845 0.919 6.715 1.00 0.00 H new ATOM 0 HA ARG A 47 71.603 -1.209 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.653 -0.601 7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.710 0.943 8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.745 -0.461 10.366 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.126 -1.831 9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.818 0.408 8.544 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.944 0.205 10.280 1.00 0.00 H new ATOM 0 HE ARG A 47 75.982 -2.369 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.289 -1.812 11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.999 -1.775 11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.363 -1.390 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.602 -1.538 8.857 1.00 0.00 H new ATOM 687 N MET A 48 71.574 1.975 9.585 1.00 0.00 N ATOM 688 CA MET A 48 71.215 2.872 10.722 1.00 0.00 C ATOM 689 C MET A 48 69.697 2.902 10.919 1.00 0.00 C ATOM 690 O MET A 48 69.188 3.591 11.781 1.00 0.00 O ATOM 691 CB MET A 48 71.729 4.254 10.315 1.00 0.00 C ATOM 692 CG MET A 48 71.395 5.267 11.412 1.00 0.00 C ATOM 693 SD MET A 48 72.112 4.717 12.981 1.00 0.00 S ATOM 694 CE MET A 48 71.278 5.921 14.046 1.00 0.00 C ATOM 0 H MET A 48 71.842 2.451 8.724 1.00 0.00 H new ATOM 0 HA MET A 48 71.649 2.535 11.663 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.806 4.220 10.153 1.00 0.00 H new ATOM 0 HB3 MET A 48 71.274 4.560 9.373 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.786 6.249 11.146 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.314 5.370 11.510 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.580 5.762 15.081 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.552 6.930 13.739 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.199 5.797 13.960 1.00 0.00 H new ATOM 704 N LEU A 49 68.973 2.162 10.128 1.00 0.00 N ATOM 705 CA LEU A 49 67.488 2.149 10.272 1.00 0.00 C ATOM 706 C LEU A 49 67.059 1.048 11.244 1.00 0.00 C ATOM 707 O LEU A 49 65.954 1.047 11.748 1.00 0.00 O ATOM 708 CB LEU A 49 66.957 1.866 8.867 1.00 0.00 C ATOM 709 CG LEU A 49 66.730 3.187 8.131 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.411 2.904 6.662 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.556 3.932 8.771 1.00 0.00 C ATOM 0 H LEU A 49 69.343 1.565 9.388 1.00 0.00 H new ATOM 0 HA LEU A 49 67.103 3.088 10.671 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.666 1.248 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.024 1.305 8.926 1.00 0.00 H new ATOM 0 HG LEU A 49 67.630 3.799 8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.249 3.845 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.245 2.372 6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.511 2.293 6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.394 4.874 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.657 3.320 8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.781 4.134 9.818 1.00 0.00 H new ATOM 723 N GLY A 50 67.927 0.111 11.515 1.00 0.00 N ATOM 724 CA GLY A 50 67.564 -0.987 12.456 1.00 0.00 C ATOM 725 C GLY A 50 68.029 -2.331 11.890 1.00 0.00 C ATOM 726 O GLY A 50 67.889 -3.360 12.521 1.00 0.00 O ATOM 0 H GLY A 50 68.869 0.058 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.025 -0.812 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.485 -1.002 12.613 1.00 0.00 H new ATOM 730 N GLN A 51 68.579 -2.334 10.708 1.00 0.00 N ATOM 731 CA GLN A 51 69.049 -3.616 10.109 1.00 0.00 C ATOM 732 C GLN A 51 70.580 -3.676 10.121 1.00 0.00 C ATOM 733 O GLN A 51 71.236 -2.885 10.769 1.00 0.00 O ATOM 734 CB GLN A 51 68.525 -3.602 8.672 1.00 0.00 C ATOM 735 CG GLN A 51 67.050 -3.194 8.664 1.00 0.00 C ATOM 736 CD GLN A 51 66.853 -2.005 7.723 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.589 -0.829 8.222 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 66.940 -2.146 6.519 1.00 0.00 N flip ATOM 0 H GLN A 51 68.724 -1.506 10.131 1.00 0.00 H new ATOM 0 HA GLN A 51 68.692 -4.484 10.663 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.108 -2.906 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.642 -4.588 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.432 -4.032 8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.729 -2.930 9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.146 -3.065 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.807 -1.346 5.901 1.00 0.00 H new ATOM 747 N ASN A 52 71.152 -4.608 9.410 1.00 0.00 N ATOM 748 CA ASN A 52 72.640 -4.716 9.380 1.00 0.00 C ATOM 749 C ASN A 52 73.088 -5.512 8.151 1.00 0.00 C ATOM 750 O ASN A 52 73.093 -6.727 8.165 1.00 0.00 O ATOM 751 CB ASN A 52 73.010 -5.458 10.665 1.00 0.00 C ATOM 752 CG ASN A 52 72.348 -6.836 10.666 1.00 0.00 C ATOM 753 OD1 ASN A 52 71.144 -6.946 10.545 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.091 -7.902 10.798 1.00 0.00 N ATOM 0 H ASN A 52 70.655 -5.299 8.849 1.00 0.00 H new ATOM 0 HA ASN A 52 73.124 -3.741 9.320 1.00 0.00 H new ATOM 0 HB2 ASN A 52 74.092 -5.563 10.738 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.685 -4.886 11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 52 72.661 -8.827 10.799 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.102 -7.810 10.900 1.00 0.00 H new ATOM 761 N PRO A 53 73.449 -4.793 7.124 1.00 0.00 N ATOM 762 CA PRO A 53 73.903 -5.433 5.866 1.00 0.00 C ATOM 763 C PRO A 53 75.333 -5.961 6.023 1.00 0.00 C ATOM 764 O PRO A 53 76.148 -5.375 6.707 1.00 0.00 O ATOM 765 CB PRO A 53 73.861 -4.295 4.852 1.00 0.00 C ATOM 766 CG PRO A 53 74.008 -3.044 5.660 1.00 0.00 C ATOM 767 CD PRO A 53 73.465 -3.329 7.039 1.00 0.00 C ATOM 0 HA PRO A 53 73.290 -6.285 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.665 -4.389 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.923 -4.297 4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 53 75.054 -2.743 5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.464 -2.222 5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 53 74.095 -2.892 7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.466 -2.912 7.168 1.00 0.00 H new ATOM 775 N THR A 54 75.646 -7.057 5.389 1.00 0.00 N ATOM 776 CA THR A 54 77.026 -7.609 5.500 1.00 0.00 C ATOM 777 C THR A 54 77.954 -6.895 4.513 1.00 0.00 C ATOM 778 O THR A 54 77.579 -6.607 3.394 1.00 0.00 O ATOM 779 CB THR A 54 76.895 -9.090 5.140 1.00 0.00 C ATOM 780 OG1 THR A 54 76.476 -9.212 3.787 1.00 0.00 O ATOM 781 CG2 THR A 54 75.866 -9.753 6.056 1.00 0.00 C ATOM 0 H THR A 54 75.008 -7.593 4.800 1.00 0.00 H new ATOM 0 HA THR A 54 77.449 -7.472 6.495 1.00 0.00 H new ATOM 0 HB THR A 54 77.860 -9.581 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.393 -10.160 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.775 -10.808 5.797 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.189 -9.660 7.093 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.900 -9.264 5.932 1.00 0.00 H new ATOM 789 N LYS A 55 79.160 -6.602 4.918 1.00 0.00 N ATOM 790 CA LYS A 55 80.102 -5.903 3.998 1.00 0.00 C ATOM 791 C LYS A 55 80.025 -6.518 2.598 1.00 0.00 C ATOM 792 O LYS A 55 80.053 -5.822 1.602 1.00 0.00 O ATOM 793 CB LYS A 55 81.489 -6.118 4.603 1.00 0.00 C ATOM 794 CG LYS A 55 82.513 -5.279 3.837 1.00 0.00 C ATOM 795 CD LYS A 55 83.488 -4.633 4.824 1.00 0.00 C ATOM 796 CE LYS A 55 84.643 -5.597 5.108 1.00 0.00 C ATOM 797 NZ LYS A 55 85.840 -4.725 5.269 1.00 0.00 N ATOM 0 H LYS A 55 79.533 -6.816 5.843 1.00 0.00 H new ATOM 0 HA LYS A 55 79.866 -4.844 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.486 -5.836 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.759 -7.173 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 55 83.057 -5.906 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 55 82.006 -4.510 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.872 -3.699 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 55 82.972 -4.384 5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.457 -6.182 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.777 -6.305 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.674 -5.314 5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.996 -4.185 4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.686 -4.067 6.059 1.00 0.00 H new ATOM 811 N GLU A 56 79.926 -7.816 2.516 1.00 0.00 N ATOM 812 CA GLU A 56 79.844 -8.470 1.178 1.00 0.00 C ATOM 813 C GLU A 56 78.583 -8.009 0.446 1.00 0.00 C ATOM 814 O GLU A 56 78.651 -7.402 -0.605 1.00 0.00 O ATOM 815 CB GLU A 56 79.779 -9.968 1.469 1.00 0.00 C ATOM 816 CG GLU A 56 80.170 -10.749 0.213 1.00 0.00 C ATOM 817 CD GLU A 56 80.175 -12.247 0.523 1.00 0.00 C ATOM 818 OE1 GLU A 56 79.187 -12.725 1.056 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.167 -12.891 0.223 1.00 0.00 O ATOM 0 H GLU A 56 79.898 -8.451 3.314 1.00 0.00 H new ATOM 0 HA GLU A 56 80.693 -8.218 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.450 -10.219 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.773 -10.245 1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 56 79.468 -10.536 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.155 -10.435 -0.131 1.00 0.00 H new ATOM 826 N GLU A 57 77.431 -8.287 0.993 1.00 0.00 N ATOM 827 CA GLU A 57 76.170 -7.856 0.324 1.00 0.00 C ATOM 828 C GLU A 57 76.278 -6.386 -0.085 1.00 0.00 C ATOM 829 O GLU A 57 75.846 -5.993 -1.150 1.00 0.00 O ATOM 830 CB GLU A 57 75.075 -8.043 1.375 1.00 0.00 C ATOM 831 CG GLU A 57 74.404 -9.403 1.176 1.00 0.00 C ATOM 832 CD GLU A 57 73.366 -9.302 0.055 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.362 -8.295 -0.633 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.593 -10.234 -0.095 1.00 0.00 O ATOM 0 H GLU A 57 77.308 -8.792 1.871 1.00 0.00 H new ATOM 0 HA GLU A 57 75.962 -8.428 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.502 -7.979 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.337 -7.246 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.152 -10.156 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 57 73.925 -9.723 2.101 1.00 0.00 H new ATOM 841 N LEU A 58 76.858 -5.570 0.754 1.00 0.00 N ATOM 842 CA LEU A 58 77.002 -4.129 0.412 1.00 0.00 C ATOM 843 C LEU A 58 77.605 -3.985 -0.986 1.00 0.00 C ATOM 844 O LEU A 58 76.951 -3.553 -1.914 1.00 0.00 O ATOM 845 CB LEU A 58 77.956 -3.570 1.467 1.00 0.00 C ATOM 846 CG LEU A 58 77.300 -2.386 2.177 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.898 -1.331 1.144 1.00 0.00 C ATOM 848 CD2 LEU A 58 76.056 -2.867 2.927 1.00 0.00 C ATOM 0 H LEU A 58 77.238 -5.841 1.661 1.00 0.00 H new ATOM 0 HA LEU A 58 76.048 -3.603 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.209 -4.345 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.888 -3.255 0.998 1.00 0.00 H new ATOM 0 HG LEU A 58 78.005 -1.950 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.430 -0.486 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.784 -0.989 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.193 -1.766 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 58 75.588 -2.023 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.350 -3.303 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 58 76.343 -3.618 3.663 1.00 0.00 H new ATOM 860 N ASP A 59 78.848 -4.351 -1.145 1.00 0.00 N ATOM 861 CA ASP A 59 79.489 -4.241 -2.486 1.00 0.00 C ATOM 862 C ASP A 59 78.650 -4.987 -3.526 1.00 0.00 C ATOM 863 O ASP A 59 78.722 -4.716 -4.708 1.00 0.00 O ATOM 864 CB ASP A 59 80.858 -4.903 -2.328 1.00 0.00 C ATOM 865 CG ASP A 59 81.511 -5.059 -3.701 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.223 -4.250 -4.568 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.288 -5.986 -3.864 1.00 0.00 O ATOM 0 H ASP A 59 79.446 -4.721 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 59 79.575 -3.208 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 59 81.492 -4.300 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.750 -5.878 -1.852 1.00 0.00 H new ATOM 872 N ALA A 60 77.853 -5.925 -3.093 1.00 0.00 N ATOM 873 CA ALA A 60 77.007 -6.685 -4.055 1.00 0.00 C ATOM 874 C ALA A 60 75.776 -5.861 -4.438 1.00 0.00 C ATOM 875 O ALA A 60 75.462 -5.701 -5.600 1.00 0.00 O ATOM 876 CB ALA A 60 76.594 -7.953 -3.305 1.00 0.00 C ATOM 0 H ALA A 60 77.751 -6.198 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 60 77.536 -6.915 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.966 -8.568 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.484 -8.515 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.037 -7.680 -2.409 1.00 0.00 H new ATOM 882 N ILE A 61 75.079 -5.331 -3.470 1.00 0.00 N ATOM 883 CA ILE A 61 73.873 -4.512 -3.784 1.00 0.00 C ATOM 884 C ILE A 61 74.285 -3.245 -4.538 1.00 0.00 C ATOM 885 O ILE A 61 73.656 -2.851 -5.499 1.00 0.00 O ATOM 886 CB ILE A 61 73.267 -4.159 -2.426 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.655 -5.415 -1.801 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.178 -3.101 -2.613 1.00 0.00 C ATOM 889 CD1 ILE A 61 73.033 -5.488 -0.321 1.00 0.00 C ATOM 0 H ILE A 61 75.292 -5.429 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 61 73.162 -5.043 -4.417 1.00 0.00 H new ATOM 0 HB ILE A 61 74.045 -3.767 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.571 -5.396 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.012 -6.303 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.745 -2.849 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.612 -2.207 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.399 -3.492 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.596 -6.383 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.118 -5.527 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.654 -4.606 0.195 1.00 0.00 H new ATOM 901 N ILE A 62 75.341 -2.608 -4.111 1.00 0.00 N ATOM 902 CA ILE A 62 75.795 -1.371 -4.810 1.00 0.00 C ATOM 903 C ILE A 62 75.957 -1.648 -6.305 1.00 0.00 C ATOM 904 O ILE A 62 75.148 -1.237 -7.110 1.00 0.00 O ATOM 905 CB ILE A 62 77.143 -1.033 -4.177 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.923 -0.520 -2.752 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.839 0.049 -5.005 1.00 0.00 C ATOM 908 CD1 ILE A 62 78.269 -0.144 -2.130 1.00 0.00 C ATOM 0 H ILE A 62 75.908 -2.889 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 62 75.084 -0.551 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 62 77.766 -1.927 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.262 0.346 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 62 76.434 -1.286 -2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.801 0.290 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.996 -0.315 -6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 62 77.216 0.943 -5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 62 78.112 0.221 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.915 -1.021 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.741 0.636 -2.727 1.00 0.00 H new ATOM 920 N GLU A 63 76.993 -2.346 -6.682 1.00 0.00 N ATOM 921 CA GLU A 63 77.196 -2.650 -8.128 1.00 0.00 C ATOM 922 C GLU A 63 75.867 -3.066 -8.763 1.00 0.00 C ATOM 923 O GLU A 63 75.631 -2.850 -9.934 1.00 0.00 O ATOM 924 CB GLU A 63 78.192 -3.809 -8.154 1.00 0.00 C ATOM 925 CG GLU A 63 79.054 -3.715 -9.415 1.00 0.00 C ATOM 926 CD GLU A 63 79.660 -5.085 -9.723 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.012 -5.781 -8.784 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.762 -5.417 -10.893 1.00 0.00 O ATOM 0 H GLU A 63 77.706 -2.718 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 63 77.563 -1.790 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.824 -3.779 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.660 -4.760 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.450 -3.375 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.846 -2.979 -9.273 1.00 0.00 H new ATOM 935 N GLU A 64 74.994 -3.653 -7.991 1.00 0.00 N ATOM 936 CA GLU A 64 73.673 -4.075 -8.539 1.00 0.00 C ATOM 937 C GLU A 64 72.749 -2.859 -8.646 1.00 0.00 C ATOM 938 O GLU A 64 72.072 -2.665 -9.636 1.00 0.00 O ATOM 939 CB GLU A 64 73.131 -5.082 -7.519 1.00 0.00 C ATOM 940 CG GLU A 64 71.609 -5.190 -7.650 1.00 0.00 C ATOM 941 CD GLU A 64 71.093 -6.302 -6.735 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.637 -7.392 -6.795 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.162 -6.044 -5.989 1.00 0.00 O ATOM 0 H GLU A 64 75.138 -3.859 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 64 73.747 -4.510 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.589 -6.058 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.396 -4.768 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.143 -4.241 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.337 -5.401 -8.684 1.00 0.00 H new ATOM 950 N VAL A 65 72.720 -2.042 -7.630 1.00 0.00 N ATOM 951 CA VAL A 65 71.845 -0.837 -7.662 1.00 0.00 C ATOM 952 C VAL A 65 72.645 0.384 -8.123 1.00 0.00 C ATOM 953 O VAL A 65 72.175 1.504 -8.070 1.00 0.00 O ATOM 954 CB VAL A 65 71.374 -0.659 -6.219 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.709 -1.948 -5.736 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.578 -0.344 -5.327 1.00 0.00 C ATOM 0 H VAL A 65 73.266 -2.157 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 65 71.010 -0.946 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 65 70.657 0.161 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.373 -1.821 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.853 -2.176 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.426 -2.768 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.244 -0.217 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.293 -1.165 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.055 0.574 -5.670 1.00 0.00 H new ATOM 966 N ASP A 66 73.852 0.176 -8.576 1.00 0.00 N ATOM 967 CA ASP A 66 74.684 1.322 -9.040 1.00 0.00 C ATOM 968 C ASP A 66 74.131 1.876 -10.354 1.00 0.00 C ATOM 969 O ASP A 66 74.415 1.369 -11.422 1.00 0.00 O ATOM 970 CB ASP A 66 76.082 0.735 -9.248 1.00 0.00 C ATOM 971 CG ASP A 66 77.134 1.817 -9.002 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.175 2.335 -7.898 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.882 2.109 -9.921 1.00 0.00 O ATOM 0 H ASP A 66 74.298 -0.739 -8.645 1.00 0.00 H new ATOM 0 HA ASP A 66 74.691 2.146 -8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.241 -0.102 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.177 0.345 -10.261 1.00 0.00 H new ATOM 1030 N THR A 72 73.320 6.545 -7.757 1.00 0.00 N ATOM 1031 CA THR A 72 72.415 6.821 -6.604 1.00 0.00 C ATOM 1032 C THR A 72 71.326 5.748 -6.516 1.00 0.00 C ATOM 1033 O THR A 72 71.001 5.097 -7.489 1.00 0.00 O ATOM 1034 CB THR A 72 71.798 8.187 -6.904 1.00 0.00 C ATOM 1035 OG1 THR A 72 70.924 8.077 -8.019 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.907 9.192 -7.219 1.00 0.00 C ATOM 0 HA THR A 72 72.945 6.813 -5.652 1.00 0.00 H new ATOM 0 HB THR A 72 71.236 8.530 -6.035 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.261 7.392 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.466 10.166 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.575 9.277 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.471 8.851 -8.087 1.00 0.00 H new ATOM 1044 N ILE A 73 70.758 5.561 -5.356 1.00 0.00 N ATOM 1045 CA ILE A 73 69.688 4.532 -5.205 1.00 0.00 C ATOM 1046 C ILE A 73 68.314 5.208 -5.168 1.00 0.00 C ATOM 1047 O ILE A 73 68.141 6.245 -4.562 1.00 0.00 O ATOM 1048 CB ILE A 73 69.985 3.844 -3.872 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.047 2.647 -3.698 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.767 4.834 -2.727 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.465 1.527 -4.651 1.00 0.00 C ATOM 0 H ILE A 73 70.988 6.076 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 73 69.673 3.823 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 73 71.019 3.501 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.080 2.293 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.018 2.945 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.979 4.344 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.434 5.687 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.733 5.178 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.797 0.675 -4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.410 1.885 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.487 1.222 -4.428 1.00 0.00 H new ATOM 1063 N ASP A 74 67.338 4.629 -5.813 1.00 0.00 N ATOM 1064 CA ASP A 74 65.980 5.247 -5.813 1.00 0.00 C ATOM 1065 C ASP A 74 65.166 4.740 -4.620 1.00 0.00 C ATOM 1066 O ASP A 74 65.157 3.562 -4.318 1.00 0.00 O ATOM 1067 CB ASP A 74 65.340 4.795 -7.128 1.00 0.00 C ATOM 1068 CG ASP A 74 66.323 5.017 -8.278 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.821 6.124 -8.401 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.560 4.077 -9.019 1.00 0.00 O ATOM 0 H ASP A 74 67.421 3.758 -6.338 1.00 0.00 H new ATOM 0 HA ASP A 74 66.021 6.333 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.066 3.742 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.421 5.353 -7.308 1.00 0.00 H new ATOM 1075 N PHE A 75 64.482 5.618 -3.939 1.00 0.00 N ATOM 1076 CA PHE A 75 63.670 5.181 -2.768 1.00 0.00 C ATOM 1077 C PHE A 75 62.756 4.022 -3.169 1.00 0.00 C ATOM 1078 O PHE A 75 62.690 3.010 -2.500 1.00 0.00 O ATOM 1079 CB PHE A 75 62.844 6.405 -2.371 1.00 0.00 C ATOM 1080 CG PHE A 75 62.312 6.217 -0.971 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.165 5.442 -0.756 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.965 6.814 0.113 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.673 5.265 0.542 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.472 6.639 1.412 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.326 5.864 1.627 1.00 0.00 C ATOM 0 H PHE A 75 64.450 6.617 -4.142 1.00 0.00 H new ATOM 0 HA PHE A 75 64.290 4.830 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.458 7.304 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.019 6.543 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.660 4.981 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.850 7.410 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.789 4.666 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.976 7.102 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.946 5.728 2.629 1.00 0.00 H new ATOM 1095 N GLU A 76 62.054 4.158 -4.261 1.00 0.00 N ATOM 1096 CA GLU A 76 61.150 3.058 -4.702 1.00 0.00 C ATOM 1097 C GLU A 76 61.937 1.747 -4.786 1.00 0.00 C ATOM 1098 O GLU A 76 61.431 0.687 -4.476 1.00 0.00 O ATOM 1099 CB GLU A 76 60.658 3.479 -6.086 1.00 0.00 C ATOM 1100 CG GLU A 76 61.858 3.770 -6.990 1.00 0.00 C ATOM 1101 CD GLU A 76 61.373 4.024 -8.418 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.242 3.674 -8.709 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.142 4.564 -9.196 1.00 0.00 O ATOM 0 H GLU A 76 62.067 4.980 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 76 60.322 2.895 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.045 2.690 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.027 4.364 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.403 4.638 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.551 2.929 -6.974 1.00 0.00 H new ATOM 1110 N GLU A 77 63.174 1.815 -5.195 1.00 0.00 N ATOM 1111 CA GLU A 77 63.997 0.576 -5.291 1.00 0.00 C ATOM 1112 C GLU A 77 64.678 0.299 -3.949 1.00 0.00 C ATOM 1113 O GLU A 77 64.584 -0.784 -3.406 1.00 0.00 O ATOM 1114 CB GLU A 77 65.037 0.871 -6.372 1.00 0.00 C ATOM 1115 CG GLU A 77 66.021 -0.297 -6.466 1.00 0.00 C ATOM 1116 CD GLU A 77 66.616 -0.352 -7.874 1.00 0.00 C ATOM 1117 OE1 GLU A 77 67.374 0.544 -8.211 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.304 -1.287 -8.592 1.00 0.00 O ATOM 0 H GLU A 77 63.651 2.675 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 77 63.400 -0.303 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.545 1.024 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.571 1.792 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.815 -0.177 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.513 -1.234 -6.238 1.00 0.00 H new ATOM 1125 N PHE A 78 65.359 1.271 -3.405 1.00 0.00 N ATOM 1126 CA PHE A 78 66.036 1.060 -2.095 1.00 0.00 C ATOM 1127 C PHE A 78 65.068 0.397 -1.114 1.00 0.00 C ATOM 1128 O PHE A 78 65.460 -0.385 -0.270 1.00 0.00 O ATOM 1129 CB PHE A 78 66.418 2.463 -1.619 1.00 0.00 C ATOM 1130 CG PHE A 78 66.718 2.433 -0.140 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.809 1.699 0.338 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.904 3.140 0.752 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.087 1.671 1.710 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.181 3.113 2.124 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.272 2.378 2.603 1.00 0.00 C ATOM 0 H PHE A 78 65.475 2.200 -3.810 1.00 0.00 H new ATOM 0 HA PHE A 78 66.907 0.410 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.288 2.820 -2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.605 3.160 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.437 1.154 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.062 3.706 0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.929 1.105 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.553 3.659 2.813 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.485 2.356 3.662 1.00 0.00 H new ATOM 1145 N LEU A 79 63.803 0.703 -1.220 1.00 0.00 N ATOM 1146 CA LEU A 79 62.807 0.090 -0.297 1.00 0.00 C ATOM 1147 C LEU A 79 63.076 -1.410 -0.154 1.00 0.00 C ATOM 1148 O LEU A 79 62.866 -1.992 0.892 1.00 0.00 O ATOM 1149 CB LEU A 79 61.449 0.331 -0.957 1.00 0.00 C ATOM 1150 CG LEU A 79 60.789 1.560 -0.331 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.807 2.176 -1.329 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.036 1.144 0.934 1.00 0.00 C ATOM 0 H LEU A 79 63.417 1.351 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 79 62.853 0.519 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.575 0.479 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.810 -0.543 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 79 61.554 2.293 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.336 3.052 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.343 2.472 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.041 1.444 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.565 2.019 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.271 0.411 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.735 0.705 1.646 1.00 0.00 H new ATOM 1164 N VAL A 80 63.542 -2.041 -1.198 1.00 0.00 N ATOM 1165 CA VAL A 80 63.826 -3.501 -1.116 1.00 0.00 C ATOM 1166 C VAL A 80 64.937 -3.757 -0.095 1.00 0.00 C ATOM 1167 O VAL A 80 64.881 -4.694 0.679 1.00 0.00 O ATOM 1168 CB VAL A 80 64.283 -3.900 -2.521 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.341 -3.287 -3.560 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.705 -3.391 -2.763 1.00 0.00 C ATOM 0 H VAL A 80 63.738 -1.609 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 80 62.957 -4.076 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 80 64.266 -4.986 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.668 -3.572 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.327 -3.651 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.356 -2.201 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.028 -3.676 -3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.723 -2.305 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.378 -3.828 -2.026 1.00 0.00 H new ATOM 1180 N MET A 81 65.946 -2.928 -0.085 1.00 0.00 N ATOM 1181 CA MET A 81 67.058 -3.117 0.889 1.00 0.00 C ATOM 1182 C MET A 81 66.536 -2.955 2.319 1.00 0.00 C ATOM 1183 O MET A 81 67.048 -3.545 3.249 1.00 0.00 O ATOM 1184 CB MET A 81 68.066 -2.015 0.557 1.00 0.00 C ATOM 1185 CG MET A 81 69.090 -2.543 -0.448 1.00 0.00 C ATOM 1186 SD MET A 81 70.029 -3.895 0.303 1.00 0.00 S ATOM 1187 CE MET A 81 71.340 -2.884 1.034 1.00 0.00 C ATOM 0 H MET A 81 66.048 -2.128 -0.710 1.00 0.00 H new ATOM 0 HA MET A 81 67.504 -4.109 0.823 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.550 -1.148 0.144 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.570 -1.683 1.465 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.585 -2.893 -1.348 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.764 -1.742 -0.751 1.00 0.00 H new ATOM 0 HE1 MET A 81 71.723 -3.376 1.928 1.00 0.00 H new ATOM 0 HE2 MET A 81 72.149 -2.760 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 81 70.939 -1.906 1.301 1.00 0.00 H new ATOM 1197 N MET A 82 65.518 -2.158 2.498 1.00 0.00 N ATOM 1198 CA MET A 82 64.959 -1.955 3.866 1.00 0.00 C ATOM 1199 C MET A 82 64.256 -3.227 4.345 1.00 0.00 C ATOM 1200 O MET A 82 64.453 -3.675 5.458 1.00 0.00 O ATOM 1201 CB MET A 82 63.954 -0.814 3.715 1.00 0.00 C ATOM 1202 CG MET A 82 64.643 0.395 3.083 1.00 0.00 C ATOM 1203 SD MET A 82 64.220 1.887 4.016 1.00 0.00 S ATOM 1204 CE MET A 82 62.959 2.514 2.879 1.00 0.00 C ATOM 0 H MET A 82 65.049 -1.638 1.756 1.00 0.00 H new ATOM 0 HA MET A 82 65.733 -1.725 4.599 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.116 -1.133 3.095 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.545 -0.545 4.689 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.723 0.250 3.079 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.332 0.502 2.044 1.00 0.00 H new ATOM 0 HE1 MET A 82 62.745 3.557 3.112 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.323 2.438 1.854 1.00 0.00 H new ATOM 0 HE3 MET A 82 62.048 1.925 2.985 1.00 0.00 H new ATOM 1214 N VAL A 83 63.437 -3.811 3.515 1.00 0.00 N ATOM 1215 CA VAL A 83 62.720 -5.054 3.926 1.00 0.00 C ATOM 1216 C VAL A 83 63.617 -6.276 3.716 1.00 0.00 C ATOM 1217 O VAL A 83 63.683 -7.159 4.546 1.00 0.00 O ATOM 1218 CB VAL A 83 61.490 -5.123 3.017 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.839 -3.741 2.928 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.911 -5.577 1.617 1.00 0.00 C ATOM 0 H VAL A 83 63.232 -3.483 2.571 1.00 0.00 H new ATOM 0 HA VAL A 83 62.444 -5.043 4.980 1.00 0.00 H new ATOM 0 HB VAL A 83 60.776 -5.835 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 83 59.964 -3.792 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.536 -3.417 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.553 -3.028 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 83 61.034 -5.626 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 83 62.627 -4.866 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.372 -6.563 1.678 1.00 0.00 H new ATOM 1230 N ARG A 84 64.309 -6.334 2.611 1.00 0.00 N ATOM 1231 CA ARG A 84 65.198 -7.501 2.351 1.00 0.00 C ATOM 1232 C ARG A 84 66.075 -7.778 3.574 1.00 0.00 C ATOM 1233 O ARG A 84 66.174 -8.897 4.037 1.00 0.00 O ATOM 1234 CB ARG A 84 66.053 -7.088 1.153 1.00 0.00 C ATOM 1235 CG ARG A 84 65.203 -7.130 -0.117 1.00 0.00 C ATOM 1236 CD ARG A 84 65.324 -8.510 -0.768 1.00 0.00 C ATOM 1237 NE ARG A 84 64.978 -8.291 -2.199 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.919 -8.281 -3.103 1.00 0.00 C ATOM 1239 NH1 ARG A 84 66.624 -7.200 -3.298 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.154 -9.351 -3.813 1.00 0.00 N ATOM 0 H ARG A 84 64.297 -5.625 1.878 1.00 0.00 H new ATOM 0 HA ARG A 84 64.637 -8.414 2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.450 -6.084 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.907 -7.758 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.161 -6.920 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.532 -6.358 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 84 66.333 -8.909 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.647 -9.227 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 84 64.006 -8.149 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 84 66.439 -6.364 -2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 84 67.360 -7.191 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 84 65.602 -10.195 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 84 66.890 -9.343 -4.520 1.00 0.00 H new ATOM 1254 N GLN A 85 66.711 -6.768 4.104 1.00 0.00 N ATOM 1255 CA GLN A 85 67.575 -6.982 5.299 1.00 0.00 C ATOM 1256 C GLN A 85 66.707 -7.266 6.527 1.00 0.00 C ATOM 1257 O GLN A 85 66.796 -8.315 7.132 1.00 0.00 O ATOM 1258 CB GLN A 85 68.346 -5.674 5.475 1.00 0.00 C ATOM 1259 CG GLN A 85 69.470 -5.881 6.491 1.00 0.00 C ATOM 1260 CD GLN A 85 70.439 -6.945 5.973 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.908 -7.776 6.725 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.761 -6.956 4.708 1.00 0.00 N ATOM 0 H GLN A 85 66.670 -5.808 3.762 1.00 0.00 H new ATOM 0 HA GLN A 85 68.246 -7.832 5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.759 -5.351 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.674 -4.886 5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.999 -4.943 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.055 -6.189 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.368 -6.259 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.406 -7.662 4.352 1.00 0.00 H new ATOM 1271 N MET A 86 65.864 -6.341 6.899 1.00 0.00 N ATOM 1272 CA MET A 86 64.991 -6.568 8.086 1.00 0.00 C ATOM 1273 C MET A 86 64.206 -7.868 7.912 1.00 0.00 C ATOM 1274 O MET A 86 63.857 -8.526 8.873 1.00 0.00 O ATOM 1275 CB MET A 86 64.042 -5.372 8.122 1.00 0.00 C ATOM 1276 CG MET A 86 64.323 -4.538 9.373 1.00 0.00 C ATOM 1277 SD MET A 86 62.767 -4.195 10.230 1.00 0.00 S ATOM 1278 CE MET A 86 62.011 -3.184 8.932 1.00 0.00 C ATOM 0 H MET A 86 65.742 -5.441 6.434 1.00 0.00 H new ATOM 0 HA MET A 86 65.563 -6.656 9.009 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.173 -4.762 7.228 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.007 -5.715 8.125 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.005 -5.073 10.034 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.813 -3.604 9.098 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.192 -2.602 9.355 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.758 -2.509 8.515 1.00 0.00 H new ATOM 0 HE3 MET A 86 61.627 -3.832 8.144 1.00 0.00 H new ATOM 1288 N LYS A 87 63.932 -8.251 6.695 1.00 0.00 N ATOM 1289 CA LYS A 87 63.178 -9.515 6.470 1.00 0.00 C ATOM 1290 C LYS A 87 63.819 -10.632 7.293 1.00 0.00 C ATOM 1291 O LYS A 87 63.181 -11.600 7.656 1.00 0.00 O ATOM 1292 CB LYS A 87 63.311 -9.798 4.971 1.00 0.00 C ATOM 1293 CG LYS A 87 62.053 -9.316 4.247 1.00 0.00 C ATOM 1294 CD LYS A 87 61.295 -10.519 3.681 1.00 0.00 C ATOM 1295 CE LYS A 87 62.081 -11.114 2.510 1.00 0.00 C ATOM 1296 NZ LYS A 87 61.046 -11.520 1.518 1.00 0.00 N ATOM 0 H LYS A 87 64.197 -7.745 5.850 1.00 0.00 H new ATOM 0 HA LYS A 87 62.132 -9.446 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.190 -9.292 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.454 -10.865 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.415 -8.762 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.323 -8.632 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.154 -11.271 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.303 -10.213 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 87 62.770 -10.384 2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 87 62.679 -11.968 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 61.508 -11.938 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 60.409 -12.221 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.497 -10.686 1.227 1.00 0.00 H new ATOM 1310 N GLU A 88 65.078 -10.487 7.599 1.00 0.00 N ATOM 1311 CA GLU A 88 65.777 -11.519 8.414 1.00 0.00 C ATOM 1312 C GLU A 88 65.823 -11.067 9.874 1.00 0.00 C ATOM 1313 O GLU A 88 65.669 -11.855 10.786 1.00 0.00 O ATOM 1314 CB GLU A 88 67.187 -11.594 7.829 1.00 0.00 C ATOM 1315 CG GLU A 88 67.552 -13.056 7.557 1.00 0.00 C ATOM 1316 CD GLU A 88 69.020 -13.145 7.134 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.454 -12.284 6.388 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.684 -14.073 7.565 1.00 0.00 O ATOM 0 H GLU A 88 65.655 -9.694 7.318 1.00 0.00 H new ATOM 0 HA GLU A 88 65.279 -12.488 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.240 -11.017 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.903 -11.152 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.383 -13.657 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.912 -13.462 6.774 1.00 0.00 H new ATOM 1325 N ASP A 89 66.029 -9.797 10.100 1.00 0.00 N ATOM 1326 CA ASP A 89 66.077 -9.284 11.498 1.00 0.00 C ATOM 1327 C ASP A 89 64.665 -9.229 12.084 1.00 0.00 C ATOM 1328 O ASP A 89 64.465 -9.421 13.267 1.00 0.00 O ATOM 1329 CB ASP A 89 66.667 -7.878 11.385 1.00 0.00 C ATOM 1330 CG ASP A 89 67.469 -7.558 12.649 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.520 -8.148 12.825 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.015 -6.727 13.419 1.00 0.00 O ATOM 0 H ASP A 89 66.166 -9.093 9.375 1.00 0.00 H new ATOM 0 HA ASP A 89 66.670 -9.921 12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.310 -7.811 10.507 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.869 -7.147 11.253 1.00 0.00 H new ATOM 1337 N ALA A 90 63.683 -8.970 11.264 1.00 0.00 N ATOM 1338 CA ALA A 90 62.284 -8.906 11.775 1.00 0.00 C ATOM 1339 C ALA A 90 61.765 -10.315 12.071 1.00 0.00 C ATOM 1340 O ALA A 90 61.744 -10.686 13.234 1.00 0.00 O ATOM 1341 CB ALA A 90 61.477 -8.263 10.646 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.398 -11.000 11.131 1.00 0.00 O ATOM 0 H ALA A 90 63.789 -8.800 10.264 1.00 0.00 H new ATOM 0 HA ALA A 90 62.209 -8.338 12.703 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.432 -8.181 10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.873 -7.270 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.549 -8.880 9.750 1.00 0.00 H new