USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 437 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 27 HIS : no HD1:sc= -0.184 K(o=0.22,f=1.9) USER MOD Set 1.2: A 59 SER OG : rot -26:sc= 0.355 USER MOD Set 1.3: A 61 THR OG1 : rot 135:sc= 0.0531 USER MOD Set 2.1: A 32 THR OG1 : rot -170:sc= -0.406 USER MOD Set 2.2: A 35 HIS : no HD1:sc= 0.00388 X(o=-0.4,f=-0.41) USER MOD Set 2.3: A 36 CYS SG : rot 19:sc= 0.00402 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0545 USER MOD Single : A 31 MET CE :methyl -178:sc= -0.224 (180deg=-0.232) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0166 USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 0.65 (180deg=0.509) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc=-0.00776 (180deg=-0.114) USER MOD Single : A 47 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.209 K(o=0.21,f=-0.75) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 33:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 3.716 11.591 7.952 1.00 0.00 N ATOM 2 CA ALA A 22 3.522 10.577 6.890 1.00 0.00 C ATOM 3 C ALA A 22 3.961 9.197 7.384 1.00 0.00 C ATOM 4 O ALA A 22 4.901 9.089 8.177 1.00 0.00 O ATOM 5 CB ALA A 22 4.277 10.975 5.608 1.00 0.00 C ATOM 0 HA ALA A 22 2.460 10.529 6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.120 10.215 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.904 11.934 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.342 11.057 5.824 1.00 0.00 H new ATOM 11 N GLY A 23 3.252 8.150 6.917 1.00 0.00 N ATOM 12 CA GLY A 23 3.628 6.761 7.175 1.00 0.00 C ATOM 13 C GLY A 23 4.660 6.259 6.168 1.00 0.00 C ATOM 14 O GLY A 23 5.380 7.067 5.568 1.00 0.00 O ATOM 0 H GLY A 23 2.408 8.251 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.032 6.675 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.740 6.130 7.132 1.00 0.00 H new ATOM 18 N LEU A 24 4.729 4.934 5.965 1.00 0.00 N ATOM 19 CA LEU A 24 5.683 4.324 5.019 1.00 0.00 C ATOM 20 C LEU A 24 5.073 4.417 3.599 1.00 0.00 C ATOM 21 O LEU A 24 4.087 3.745 3.290 1.00 0.00 O ATOM 22 CB LEU A 24 6.011 2.845 5.430 1.00 0.00 C ATOM 23 CG LEU A 24 7.468 2.338 5.122 1.00 0.00 C ATOM 24 CD1 LEU A 24 7.842 2.470 3.626 1.00 0.00 C ATOM 25 CD2 LEU A 24 8.506 3.061 6.017 1.00 0.00 C ATOM 0 H LEU A 24 4.133 4.260 6.445 1.00 0.00 H new ATOM 0 HA LEU A 24 6.632 4.859 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.833 2.741 6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.306 2.186 4.923 1.00 0.00 H new ATOM 0 HG LEU A 24 7.486 1.274 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.858 2.106 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.150 1.881 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.783 3.517 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.505 2.693 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.462 4.134 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.282 2.865 7.065 1.00 0.00 H new ATOM 37 N SER A 25 5.666 5.276 2.763 1.00 0.00 N ATOM 38 CA SER A 25 5.143 5.614 1.432 1.00 0.00 C ATOM 39 C SER A 25 5.757 4.696 0.354 1.00 0.00 C ATOM 40 O SER A 25 6.980 4.686 0.174 1.00 0.00 O ATOM 41 CB SER A 25 5.469 7.096 1.143 1.00 0.00 C ATOM 42 OG SER A 25 4.993 7.941 2.184 1.00 0.00 O ATOM 0 H SER A 25 6.533 5.762 2.993 1.00 0.00 H new ATOM 0 HA SER A 25 4.064 5.463 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.547 7.219 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.018 7.392 0.196 1.00 0.00 H new ATOM 0 HG SER A 25 5.214 8.873 1.976 1.00 0.00 H new ATOM 48 N PHE A 26 4.903 3.921 -0.337 1.00 0.00 N ATOM 49 CA PHE A 26 5.318 3.003 -1.422 1.00 0.00 C ATOM 50 C PHE A 26 4.907 3.581 -2.782 1.00 0.00 C ATOM 51 O PHE A 26 3.713 3.645 -3.089 1.00 0.00 O ATOM 52 CB PHE A 26 4.677 1.600 -1.225 1.00 0.00 C ATOM 53 CG PHE A 26 5.181 0.857 0.015 1.00 0.00 C ATOM 54 CD1 PHE A 26 4.611 1.080 1.270 1.00 0.00 C ATOM 55 CD2 PHE A 26 6.238 -0.056 -0.076 1.00 0.00 C ATOM 56 CE1 PHE A 26 5.074 0.412 2.384 1.00 0.00 C ATOM 57 CE2 PHE A 26 6.698 -0.724 1.042 1.00 0.00 C ATOM 58 CZ PHE A 26 6.116 -0.491 2.270 1.00 0.00 C ATOM 0 H PHE A 26 3.898 3.911 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 26 6.402 2.896 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.595 1.712 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.878 0.992 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.798 1.784 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.701 -0.241 -1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.622 0.594 3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.512 -1.428 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.474 -1.014 3.144 1.00 0.00 H new ATOM 68 N HIS A 27 5.894 4.003 -3.590 1.00 0.00 N ATOM 69 CA HIS A 27 5.650 4.522 -4.949 1.00 0.00 C ATOM 70 C HIS A 27 5.498 3.339 -5.914 1.00 0.00 C ATOM 71 O HIS A 27 6.491 2.766 -6.369 1.00 0.00 O ATOM 72 CB HIS A 27 6.801 5.450 -5.419 1.00 0.00 C ATOM 73 CG HIS A 27 6.990 6.690 -4.582 1.00 0.00 C ATOM 74 ND1 HIS A 27 8.079 6.892 -3.763 1.00 0.00 N ATOM 75 CD2 HIS A 27 6.233 7.810 -4.463 1.00 0.00 C ATOM 76 CE1 HIS A 27 7.979 8.070 -3.181 1.00 0.00 C ATOM 77 NE2 HIS A 27 6.870 8.644 -3.590 1.00 0.00 N ATOM 0 H HIS A 27 6.878 3.995 -3.323 1.00 0.00 H new ATOM 0 HA HIS A 27 4.736 5.116 -4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.731 4.882 -5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.611 5.749 -6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.298 8.006 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.689 8.492 -2.485 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.538 9.565 -3.302 1.00 0.00 H new ATOM 86 N VAL A 28 4.244 2.938 -6.139 1.00 0.00 N ATOM 87 CA VAL A 28 3.873 1.847 -7.052 1.00 0.00 C ATOM 88 C VAL A 28 3.555 2.455 -8.433 1.00 0.00 C ATOM 89 O VAL A 28 2.447 2.892 -8.667 1.00 0.00 O ATOM 90 CB VAL A 28 2.614 1.060 -6.490 1.00 0.00 C ATOM 91 CG1 VAL A 28 2.319 -0.229 -7.300 1.00 0.00 C ATOM 92 CG2 VAL A 28 2.748 0.759 -4.975 1.00 0.00 C ATOM 0 H VAL A 28 3.440 3.370 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 28 4.698 1.140 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 28 1.755 1.720 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.449 -0.733 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.118 0.032 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.182 -0.894 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.865 0.220 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.635 0.150 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.838 1.695 -4.425 1.00 0.00 H new ATOM 102 N GLU A 29 4.539 2.498 -9.341 1.00 0.00 N ATOM 103 CA GLU A 29 4.386 3.156 -10.665 1.00 0.00 C ATOM 104 C GLU A 29 3.466 2.364 -11.620 1.00 0.00 C ATOM 105 O GLU A 29 3.047 2.885 -12.659 1.00 0.00 O ATOM 106 CB GLU A 29 5.782 3.391 -11.291 1.00 0.00 C ATOM 107 CG GLU A 29 6.708 4.302 -10.449 1.00 0.00 C ATOM 108 CD GLU A 29 6.220 5.766 -10.335 1.00 0.00 C ATOM 109 OE1 GLU A 29 5.270 6.050 -9.570 1.00 0.00 O ATOM 110 OE2 GLU A 29 6.785 6.651 -11.024 1.00 0.00 O ATOM 0 H GLU A 29 5.459 2.085 -9.190 1.00 0.00 H new ATOM 0 HA GLU A 29 3.897 4.117 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.271 2.427 -11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.655 3.834 -12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.800 3.882 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.705 4.296 -10.890 1.00 0.00 H new ATOM 117 N ASP A 30 3.159 1.109 -11.250 1.00 0.00 N ATOM 118 CA ASP A 30 2.204 0.249 -11.976 1.00 0.00 C ATOM 119 C ASP A 30 0.756 0.513 -11.507 1.00 0.00 C ATOM 120 O ASP A 30 -0.201 0.181 -12.219 1.00 0.00 O ATOM 121 CB ASP A 30 2.579 -1.244 -11.773 1.00 0.00 C ATOM 122 CG ASP A 30 1.675 -2.224 -12.545 1.00 0.00 C ATOM 123 OD1 ASP A 30 1.861 -2.385 -13.770 1.00 0.00 O ATOM 124 OD2 ASP A 30 0.769 -2.832 -11.931 1.00 0.00 O ATOM 0 H ASP A 30 3.569 0.658 -10.432 1.00 0.00 H new ATOM 0 HA ASP A 30 2.260 0.488 -13.038 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.612 -1.395 -12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.530 -1.480 -10.710 1.00 0.00 H new ATOM 129 N MET A 31 0.618 1.127 -10.312 1.00 0.00 N ATOM 130 CA MET A 31 -0.682 1.386 -9.651 1.00 0.00 C ATOM 131 C MET A 31 -1.648 2.176 -10.553 1.00 0.00 C ATOM 132 O MET A 31 -1.289 3.216 -11.113 1.00 0.00 O ATOM 133 CB MET A 31 -0.453 2.160 -8.328 1.00 0.00 C ATOM 134 CG MET A 31 -1.704 2.651 -7.605 1.00 0.00 C ATOM 135 SD MET A 31 -1.313 3.502 -6.065 1.00 0.00 S ATOM 136 CE MET A 31 -2.945 4.004 -5.548 1.00 0.00 C ATOM 0 H MET A 31 1.416 1.461 -9.771 1.00 0.00 H new ATOM 0 HA MET A 31 -1.141 0.419 -9.445 1.00 0.00 H new ATOM 0 HB2 MET A 31 0.105 1.516 -7.648 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.179 3.022 -8.541 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.259 3.324 -8.259 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.356 1.803 -7.394 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.874 4.577 -4.623 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.398 4.621 -6.323 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.561 3.121 -5.381 1.00 0.00 H new ATOM 146 N THR A 32 -2.862 1.647 -10.691 1.00 0.00 N ATOM 147 CA THR A 32 -3.978 2.304 -11.370 1.00 0.00 C ATOM 148 C THR A 32 -4.770 3.182 -10.366 1.00 0.00 C ATOM 149 O THR A 32 -4.631 3.017 -9.146 1.00 0.00 O ATOM 150 CB THR A 32 -4.882 1.221 -12.046 1.00 0.00 C ATOM 151 OG1 THR A 32 -5.062 0.126 -11.148 1.00 0.00 O ATOM 152 CG2 THR A 32 -4.276 0.695 -13.364 1.00 0.00 C ATOM 0 H THR A 32 -3.103 0.726 -10.325 1.00 0.00 H new ATOM 0 HA THR A 32 -3.604 2.966 -12.151 1.00 0.00 H new ATOM 0 HB THR A 32 -5.837 1.691 -12.280 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.491 -0.617 -11.621 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.939 -0.054 -13.796 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.157 1.521 -14.065 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.303 0.246 -13.164 1.00 0.00 H new ATOM 160 N CYS A 33 -5.574 4.117 -10.905 1.00 0.00 N ATOM 161 CA CYS A 33 -6.250 5.200 -10.145 1.00 0.00 C ATOM 162 C CYS A 33 -7.342 4.692 -9.147 1.00 0.00 C ATOM 163 O CYS A 33 -7.375 3.508 -8.799 1.00 0.00 O ATOM 164 CB CYS A 33 -6.827 6.186 -11.188 1.00 0.00 C ATOM 165 SG CYS A 33 -5.602 6.805 -12.373 1.00 0.00 S ATOM 0 H CYS A 33 -5.780 4.147 -11.903 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.523 5.691 -9.499 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.630 5.692 -11.735 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.272 7.033 -10.665 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.178 7.620 -13.206 1.00 0.00 H new ATOM 171 N GLY A 34 -8.232 5.624 -8.701 1.00 0.00 N ATOM 172 CA GLY A 34 -9.215 5.370 -7.628 1.00 0.00 C ATOM 173 C GLY A 34 -10.165 4.191 -7.862 1.00 0.00 C ATOM 174 O GLY A 34 -10.697 3.626 -6.899 1.00 0.00 O ATOM 0 H GLY A 34 -8.281 6.569 -9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.673 5.197 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.812 6.271 -7.487 1.00 0.00 H new ATOM 178 N HIS A 35 -10.356 3.808 -9.142 1.00 0.00 N ATOM 179 CA HIS A 35 -11.196 2.654 -9.540 1.00 0.00 C ATOM 180 C HIS A 35 -10.616 1.311 -9.023 1.00 0.00 C ATOM 181 O HIS A 35 -11.366 0.357 -8.777 1.00 0.00 O ATOM 182 CB HIS A 35 -11.345 2.616 -11.085 1.00 0.00 C ATOM 183 CG HIS A 35 -12.193 1.477 -11.608 1.00 0.00 C ATOM 184 ND1 HIS A 35 -11.676 0.376 -12.268 1.00 0.00 N ATOM 185 CD2 HIS A 35 -13.532 1.276 -11.558 1.00 0.00 C ATOM 186 CE1 HIS A 35 -12.659 -0.436 -12.597 1.00 0.00 C ATOM 187 NE2 HIS A 35 -13.790 0.088 -12.178 1.00 0.00 N ATOM 0 H HIS A 35 -9.931 4.291 -9.933 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.177 2.783 -9.083 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -11.780 3.558 -11.418 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.353 2.548 -11.531 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.261 1.935 -11.110 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.554 -1.374 -13.122 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -14.714 -0.328 -12.297 1.00 0.00 H new ATOM 196 N CYS A 36 -9.283 1.256 -8.865 1.00 0.00 N ATOM 197 CA CYS A 36 -8.557 0.065 -8.370 1.00 0.00 C ATOM 198 C CYS A 36 -7.797 0.376 -7.062 1.00 0.00 C ATOM 199 O CYS A 36 -6.879 -0.362 -6.680 1.00 0.00 O ATOM 200 CB CYS A 36 -7.579 -0.418 -9.458 1.00 0.00 C ATOM 201 SG CYS A 36 -8.359 -0.779 -11.046 1.00 0.00 S ATOM 0 H CYS A 36 -8.669 2.042 -9.078 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.279 -0.721 -8.150 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.813 0.343 -9.607 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.072 -1.315 -9.103 1.00 0.00 H new ATOM 0 HG CYS A 36 -9.520 -0.197 -11.102 1.00 0.00 H new ATOM 207 N ALA A 37 -8.192 1.456 -6.369 1.00 0.00 N ATOM 208 CA ALA A 37 -7.582 1.841 -5.082 1.00 0.00 C ATOM 209 C ALA A 37 -7.989 0.862 -3.961 1.00 0.00 C ATOM 210 O ALA A 37 -7.184 0.567 -3.076 1.00 0.00 O ATOM 211 CB ALA A 37 -7.975 3.276 -4.713 1.00 0.00 C ATOM 0 H ALA A 37 -8.935 2.082 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.499 1.794 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.517 3.545 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.628 3.959 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.059 3.345 -4.627 1.00 0.00 H new ATOM 217 N GLY A 38 -9.235 0.352 -4.046 1.00 0.00 N ATOM 218 CA GLY A 38 -9.845 -0.481 -2.998 1.00 0.00 C ATOM 219 C GLY A 38 -9.178 -1.840 -2.791 1.00 0.00 C ATOM 220 O GLY A 38 -9.101 -2.319 -1.656 1.00 0.00 O ATOM 0 H GLY A 38 -9.846 0.509 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.820 0.068 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.894 -0.641 -3.245 1.00 0.00 H new ATOM 224 N VAL A 39 -8.705 -2.458 -3.889 1.00 0.00 N ATOM 225 CA VAL A 39 -8.022 -3.775 -3.847 1.00 0.00 C ATOM 226 C VAL A 39 -6.634 -3.659 -3.175 1.00 0.00 C ATOM 227 O VAL A 39 -6.231 -4.539 -2.400 1.00 0.00 O ATOM 228 CB VAL A 39 -7.894 -4.415 -5.293 1.00 0.00 C ATOM 229 CG1 VAL A 39 -7.153 -3.488 -6.283 1.00 0.00 C ATOM 230 CG2 VAL A 39 -7.234 -5.817 -5.252 1.00 0.00 C ATOM 0 H VAL A 39 -8.782 -2.066 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.640 -4.441 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.913 -4.537 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.092 -3.972 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.697 -2.548 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.147 -3.290 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.167 -6.217 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.234 -5.736 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.837 -6.485 -4.637 1.00 0.00 H new ATOM 240 N ILE A 40 -5.932 -2.547 -3.465 1.00 0.00 N ATOM 241 CA ILE A 40 -4.576 -2.283 -2.947 1.00 0.00 C ATOM 242 C ILE A 40 -4.638 -1.922 -1.448 1.00 0.00 C ATOM 243 O ILE A 40 -3.808 -2.381 -0.644 1.00 0.00 O ATOM 244 CB ILE A 40 -3.881 -1.121 -3.751 1.00 0.00 C ATOM 245 CG1 ILE A 40 -3.989 -1.360 -5.292 1.00 0.00 C ATOM 246 CG2 ILE A 40 -2.405 -0.972 -3.319 1.00 0.00 C ATOM 247 CD1 ILE A 40 -3.440 -0.233 -6.152 1.00 0.00 C ATOM 0 H ILE A 40 -6.290 -1.805 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.984 -3.190 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.402 -0.191 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.459 -2.279 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.037 -1.517 -5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.940 -0.165 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.359 -0.743 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.873 -1.904 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.558 -0.488 -7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.985 0.686 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.383 -0.088 -5.930 1.00 0.00 H new ATOM 259 N LYS A 41 -5.640 -1.088 -1.111 1.00 0.00 N ATOM 260 CA LYS A 41 -6.009 -0.756 0.272 1.00 0.00 C ATOM 261 C LYS A 41 -6.302 -2.036 1.061 1.00 0.00 C ATOM 262 O LYS A 41 -5.673 -2.301 2.087 1.00 0.00 O ATOM 263 CB LYS A 41 -7.270 0.160 0.295 1.00 0.00 C ATOM 264 CG LYS A 41 -7.025 1.660 0.002 1.00 0.00 C ATOM 265 CD LYS A 41 -8.363 2.436 -0.148 1.00 0.00 C ATOM 266 CE LYS A 41 -8.212 3.957 -0.027 1.00 0.00 C ATOM 267 NZ LYS A 41 -7.853 4.366 1.358 1.00 0.00 N ATOM 0 H LYS A 41 -6.223 -0.620 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.173 -0.227 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.984 -0.220 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.739 0.074 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.437 2.098 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.439 1.763 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.803 2.200 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.062 2.088 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.444 4.303 -0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.145 4.440 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.958 5.396 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.483 3.890 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.867 4.098 1.555 1.00 0.00 H new ATOM 281 N GLY A 42 -7.220 -2.839 0.495 1.00 0.00 N ATOM 282 CA GLY A 42 -7.766 -4.022 1.153 1.00 0.00 C ATOM 283 C GLY A 42 -6.735 -5.103 1.422 1.00 0.00 C ATOM 284 O GLY A 42 -6.851 -5.835 2.410 1.00 0.00 O ATOM 0 H GLY A 42 -7.601 -2.678 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.221 -3.724 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.561 -4.437 0.533 1.00 0.00 H new ATOM 288 N ALA A 43 -5.709 -5.183 0.545 1.00 0.00 N ATOM 289 CA ALA A 43 -4.610 -6.146 0.689 1.00 0.00 C ATOM 290 C ALA A 43 -3.890 -5.948 2.029 1.00 0.00 C ATOM 291 O ALA A 43 -3.858 -6.853 2.867 1.00 0.00 O ATOM 292 CB ALA A 43 -3.616 -5.993 -0.478 1.00 0.00 C ATOM 0 H ALA A 43 -5.626 -4.583 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.027 -7.153 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.805 -6.712 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.131 -6.177 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.208 -4.982 -0.478 1.00 0.00 H new ATOM 298 N ILE A 44 -3.403 -4.721 2.241 1.00 0.00 N ATOM 299 CA ILE A 44 -2.584 -4.357 3.409 1.00 0.00 C ATOM 300 C ILE A 44 -3.442 -4.205 4.682 1.00 0.00 C ATOM 301 O ILE A 44 -3.054 -4.671 5.759 1.00 0.00 O ATOM 302 CB ILE A 44 -1.781 -3.043 3.122 1.00 0.00 C ATOM 303 CG1 ILE A 44 -0.957 -3.171 1.797 1.00 0.00 C ATOM 304 CG2 ILE A 44 -0.869 -2.672 4.324 1.00 0.00 C ATOM 305 CD1 ILE A 44 -0.274 -1.891 1.340 1.00 0.00 C ATOM 0 H ILE A 44 -3.566 -3.943 1.602 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.879 -5.169 3.587 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.496 -2.231 2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.198 -3.942 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.622 -3.513 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.323 -1.756 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.482 -2.519 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.161 -3.480 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.271 -2.080 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.025 -1.120 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.422 -1.555 2.109 1.00 0.00 H new ATOM 317 N GLU A 45 -4.609 -3.560 4.520 1.00 0.00 N ATOM 318 CA GLU A 45 -5.516 -3.197 5.629 1.00 0.00 C ATOM 319 C GLU A 45 -6.048 -4.434 6.376 1.00 0.00 C ATOM 320 O GLU A 45 -6.015 -4.486 7.612 1.00 0.00 O ATOM 321 CB GLU A 45 -6.697 -2.351 5.078 1.00 0.00 C ATOM 322 CG GLU A 45 -7.718 -1.883 6.135 1.00 0.00 C ATOM 323 CD GLU A 45 -8.878 -1.079 5.535 1.00 0.00 C ATOM 324 OE1 GLU A 45 -8.732 0.148 5.346 1.00 0.00 O ATOM 325 OE2 GLU A 45 -9.932 -1.673 5.225 1.00 0.00 O ATOM 0 H GLU A 45 -4.956 -3.271 3.605 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.945 -2.611 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.291 -1.474 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.222 -2.937 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.118 -2.753 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.207 -1.273 6.880 1.00 0.00 H new ATOM 332 N LYS A 46 -6.533 -5.417 5.609 1.00 0.00 N ATOM 333 CA LYS A 46 -7.159 -6.638 6.165 1.00 0.00 C ATOM 334 C LYS A 46 -6.101 -7.587 6.778 1.00 0.00 C ATOM 335 O LYS A 46 -6.423 -8.372 7.673 1.00 0.00 O ATOM 336 CB LYS A 46 -8.018 -7.372 5.085 1.00 0.00 C ATOM 337 CG LYS A 46 -9.431 -6.769 4.816 1.00 0.00 C ATOM 338 CD LYS A 46 -9.413 -5.299 4.327 1.00 0.00 C ATOM 339 CE LYS A 46 -10.809 -4.756 3.983 1.00 0.00 C ATOM 340 NZ LYS A 46 -11.458 -5.516 2.887 1.00 0.00 N ATOM 0 H LYS A 46 -6.507 -5.396 4.590 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.827 -6.329 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.462 -7.377 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.139 -8.412 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.939 -7.381 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.019 -6.828 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.967 -4.672 5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.774 -5.224 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.440 -4.795 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.727 -3.708 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.324 -5.024 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.805 -5.588 2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.700 -6.470 3.222 1.00 0.00 H new ATOM 354 N THR A 47 -4.845 -7.504 6.294 1.00 0.00 N ATOM 355 CA THR A 47 -3.726 -8.310 6.819 1.00 0.00 C ATOM 356 C THR A 47 -3.164 -7.681 8.111 1.00 0.00 C ATOM 357 O THR A 47 -2.867 -8.388 9.081 1.00 0.00 O ATOM 358 CB THR A 47 -2.596 -8.461 5.746 1.00 0.00 C ATOM 359 OG1 THR A 47 -3.148 -8.994 4.531 1.00 0.00 O ATOM 360 CG2 THR A 47 -1.449 -9.376 6.222 1.00 0.00 C ATOM 0 H THR A 47 -4.580 -6.880 5.532 1.00 0.00 H new ATOM 0 HA THR A 47 -4.106 -9.304 7.055 1.00 0.00 H new ATOM 0 HB THR A 47 -2.181 -7.467 5.576 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.418 -8.257 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.692 -9.447 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.002 -8.959 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.842 -10.370 6.438 1.00 0.00 H new ATOM 368 N VAL A 48 -3.033 -6.343 8.118 1.00 0.00 N ATOM 369 CA VAL A 48 -2.490 -5.580 9.263 1.00 0.00 C ATOM 370 C VAL A 48 -3.523 -4.529 9.713 1.00 0.00 C ATOM 371 O VAL A 48 -3.602 -3.442 9.117 1.00 0.00 O ATOM 372 CB VAL A 48 -1.118 -4.874 8.917 1.00 0.00 C ATOM 373 CG1 VAL A 48 -0.554 -4.077 10.124 1.00 0.00 C ATOM 374 CG2 VAL A 48 -0.077 -5.892 8.404 1.00 0.00 C ATOM 0 H VAL A 48 -3.301 -5.755 7.328 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.294 -6.286 10.070 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.323 -4.161 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.389 -3.608 9.842 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.268 -3.308 10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.386 -4.755 10.961 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.855 -5.375 8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.105 -6.645 9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.454 -6.376 7.503 1.00 0.00 H new ATOM 384 N PRO A 49 -4.377 -4.855 10.738 1.00 0.00 N ATOM 385 CA PRO A 49 -5.286 -3.870 11.360 1.00 0.00 C ATOM 386 C PRO A 49 -4.487 -2.791 12.131 1.00 0.00 C ATOM 387 O PRO A 49 -3.754 -3.110 13.072 1.00 0.00 O ATOM 388 CB PRO A 49 -6.174 -4.738 12.298 1.00 0.00 C ATOM 389 CG PRO A 49 -5.328 -5.941 12.606 1.00 0.00 C ATOM 390 CD PRO A 49 -4.541 -6.211 11.342 1.00 0.00 C ATOM 0 HA PRO A 49 -5.881 -3.310 10.638 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.440 -4.197 13.206 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.107 -5.022 11.811 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.664 -5.749 13.449 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.946 -6.798 12.875 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.578 -6.673 11.560 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.075 -6.887 10.673 1.00 0.00 H new ATOM 398 N GLY A 50 -4.624 -1.522 11.702 1.00 0.00 N ATOM 399 CA GLY A 50 -3.841 -0.406 12.250 1.00 0.00 C ATOM 400 C GLY A 50 -3.010 0.304 11.184 1.00 0.00 C ATOM 401 O GLY A 50 -2.679 1.484 11.348 1.00 0.00 O ATOM 0 H GLY A 50 -5.278 -1.246 10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.515 0.311 12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.180 -0.780 13.032 1.00 0.00 H new ATOM 405 N ALA A 51 -2.661 -0.416 10.092 1.00 0.00 N ATOM 406 CA ALA A 51 -1.954 0.186 8.943 1.00 0.00 C ATOM 407 C ALA A 51 -2.943 1.058 8.145 1.00 0.00 C ATOM 408 O ALA A 51 -3.820 0.532 7.445 1.00 0.00 O ATOM 409 CB ALA A 51 -1.343 -0.908 8.050 1.00 0.00 C ATOM 0 H ALA A 51 -2.858 -1.411 9.985 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.137 0.810 9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.827 -0.445 7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.634 -1.498 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.135 -1.557 7.676 1.00 0.00 H new ATOM 415 N ALA A 52 -2.802 2.391 8.271 1.00 0.00 N ATOM 416 CA ALA A 52 -3.699 3.359 7.629 1.00 0.00 C ATOM 417 C ALA A 52 -3.297 3.516 6.160 1.00 0.00 C ATOM 418 O ALA A 52 -2.351 4.235 5.845 1.00 0.00 O ATOM 419 CB ALA A 52 -3.656 4.705 8.376 1.00 0.00 C ATOM 0 H ALA A 52 -2.061 2.823 8.822 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.727 2.998 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.326 5.413 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.972 4.558 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.639 5.098 8.360 1.00 0.00 H new ATOM 425 N VAL A 53 -4.032 2.835 5.278 1.00 0.00 N ATOM 426 CA VAL A 53 -3.666 2.691 3.859 1.00 0.00 C ATOM 427 C VAL A 53 -4.192 3.884 3.022 1.00 0.00 C ATOM 428 O VAL A 53 -5.409 4.070 2.848 1.00 0.00 O ATOM 429 CB VAL A 53 -4.179 1.304 3.298 1.00 0.00 C ATOM 430 CG1 VAL A 53 -3.386 0.135 3.927 1.00 0.00 C ATOM 431 CG2 VAL A 53 -5.698 1.105 3.539 1.00 0.00 C ATOM 0 H VAL A 53 -4.903 2.364 5.525 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.579 2.702 3.777 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.012 1.313 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.754 -0.810 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.328 0.243 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.516 0.148 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.007 0.140 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.904 1.136 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.253 1.899 3.040 1.00 0.00 H new ATOM 441 N HIS A 54 -3.256 4.710 2.524 1.00 0.00 N ATOM 442 CA HIS A 54 -3.570 5.899 1.731 1.00 0.00 C ATOM 443 C HIS A 54 -3.157 5.639 0.289 1.00 0.00 C ATOM 444 O HIS A 54 -1.983 5.748 -0.051 1.00 0.00 O ATOM 445 CB HIS A 54 -2.841 7.141 2.312 1.00 0.00 C ATOM 446 CG HIS A 54 -3.070 8.425 1.546 1.00 0.00 C ATOM 447 ND1 HIS A 54 -4.117 9.282 1.809 1.00 0.00 N ATOM 448 CD2 HIS A 54 -2.375 8.995 0.524 1.00 0.00 C ATOM 449 CE1 HIS A 54 -4.056 10.311 0.988 1.00 0.00 C ATOM 450 NE2 HIS A 54 -3.010 10.159 0.198 1.00 0.00 N ATOM 0 H HIS A 54 -2.256 4.566 2.664 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.640 6.105 1.766 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.165 7.286 3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.771 6.937 2.340 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.485 8.599 0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.747 11.141 0.965 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.723 10.806 -0.537 1.00 0.00 H new ATOM 459 N ALA A 55 -4.131 5.279 -0.542 1.00 0.00 N ATOM 460 CA ALA A 55 -3.921 5.080 -1.973 1.00 0.00 C ATOM 461 C ALA A 55 -4.010 6.448 -2.669 1.00 0.00 C ATOM 462 O ALA A 55 -5.067 7.088 -2.630 1.00 0.00 O ATOM 463 CB ALA A 55 -4.983 4.106 -2.510 1.00 0.00 C ATOM 0 H ALA A 55 -5.092 5.116 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.940 4.648 -2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.830 3.954 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.896 3.151 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.976 4.521 -2.341 1.00 0.00 H new ATOM 469 N ASP A 56 -2.899 6.914 -3.266 1.00 0.00 N ATOM 470 CA ASP A 56 -2.848 8.211 -3.964 1.00 0.00 C ATOM 471 C ASP A 56 -2.801 7.927 -5.476 1.00 0.00 C ATOM 472 O ASP A 56 -1.761 7.509 -5.958 1.00 0.00 O ATOM 473 CB ASP A 56 -1.592 9.018 -3.514 1.00 0.00 C ATOM 474 CG ASP A 56 -1.682 10.522 -3.843 1.00 0.00 C ATOM 475 OD1 ASP A 56 -1.628 10.898 -5.031 1.00 0.00 O ATOM 476 OD2 ASP A 56 -1.814 11.344 -2.907 1.00 0.00 O ATOM 0 H ASP A 56 -2.015 6.405 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.726 8.810 -3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.456 8.896 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.708 8.600 -3.996 1.00 0.00 H new ATOM 481 N PRO A 57 -3.935 8.083 -6.234 1.00 0.00 N ATOM 482 CA PRO A 57 -3.967 7.855 -7.709 1.00 0.00 C ATOM 483 C PRO A 57 -2.940 8.705 -8.493 1.00 0.00 C ATOM 484 O PRO A 57 -2.292 8.208 -9.424 1.00 0.00 O ATOM 485 CB PRO A 57 -5.418 8.246 -8.094 1.00 0.00 C ATOM 486 CG PRO A 57 -6.206 8.022 -6.841 1.00 0.00 C ATOM 487 CD PRO A 57 -5.283 8.432 -5.717 1.00 0.00 C ATOM 0 HA PRO A 57 -3.698 6.829 -7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.477 9.284 -8.421 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.791 7.632 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.119 8.617 -6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.505 6.978 -6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.366 9.496 -5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.511 7.897 -4.795 1.00 0.00 H new ATOM 495 N ALA A 58 -2.781 9.971 -8.072 1.00 0.00 N ATOM 496 CA ALA A 58 -1.978 10.975 -8.800 1.00 0.00 C ATOM 497 C ALA A 58 -0.465 10.686 -8.702 1.00 0.00 C ATOM 498 O ALA A 58 0.258 10.759 -9.700 1.00 0.00 O ATOM 499 CB ALA A 58 -2.304 12.379 -8.269 1.00 0.00 C ATOM 0 H ALA A 58 -3.205 10.330 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.241 10.920 -9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.711 13.118 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.364 12.587 -8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.069 12.429 -7.206 1.00 0.00 H new ATOM 505 N SER A 59 -0.009 10.355 -7.485 1.00 0.00 N ATOM 506 CA SER A 59 1.414 10.076 -7.185 1.00 0.00 C ATOM 507 C SER A 59 1.695 8.557 -7.245 1.00 0.00 C ATOM 508 O SER A 59 2.860 8.135 -7.213 1.00 0.00 O ATOM 509 CB SER A 59 1.769 10.654 -5.791 1.00 0.00 C ATOM 510 OG SER A 59 3.163 10.586 -5.527 1.00 0.00 O ATOM 0 H SER A 59 -0.618 10.271 -6.671 1.00 0.00 H new ATOM 0 HA SER A 59 2.042 10.557 -7.935 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.439 11.691 -5.734 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.227 10.104 -5.022 1.00 0.00 H new ATOM 0 HG SER A 59 3.558 9.851 -6.041 1.00 0.00 H new ATOM 516 N ARG A 60 0.601 7.756 -7.341 1.00 0.00 N ATOM 517 CA ARG A 60 0.627 6.273 -7.398 1.00 0.00 C ATOM 518 C ARG A 60 1.273 5.702 -6.116 1.00 0.00 C ATOM 519 O ARG A 60 2.036 4.734 -6.165 1.00 0.00 O ATOM 520 CB ARG A 60 1.332 5.719 -8.681 1.00 0.00 C ATOM 521 CG ARG A 60 0.724 6.120 -10.054 1.00 0.00 C ATOM 522 CD ARG A 60 1.165 7.513 -10.530 1.00 0.00 C ATOM 523 NE ARG A 60 2.639 7.645 -10.566 1.00 0.00 N ATOM 524 CZ ARG A 60 3.314 8.717 -11.010 1.00 0.00 C ATOM 525 NH1 ARG A 60 2.673 9.803 -11.441 1.00 0.00 N ATOM 526 NH2 ARG A 60 4.636 8.706 -11.003 1.00 0.00 N ATOM 0 H ARG A 60 -0.345 8.134 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.408 5.938 -7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.372 6.046 -8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.339 4.631 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.012 5.380 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.363 6.095 -9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.760 7.702 -11.524 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.749 8.271 -9.867 1.00 0.00 H new ATOM 0 HE ARG A 60 3.187 6.856 -10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.653 9.829 -11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.202 10.609 -11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.137 7.886 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.155 9.517 -11.339 1.00 0.00 H new ATOM 540 N THR A 61 0.930 6.291 -4.952 1.00 0.00 N ATOM 541 CA THR A 61 1.655 6.046 -3.694 1.00 0.00 C ATOM 542 C THR A 61 0.711 5.528 -2.598 1.00 0.00 C ATOM 543 O THR A 61 -0.257 6.202 -2.229 1.00 0.00 O ATOM 544 CB THR A 61 2.369 7.350 -3.218 1.00 0.00 C ATOM 545 OG1 THR A 61 3.148 7.889 -4.295 1.00 0.00 O ATOM 546 CG2 THR A 61 3.301 7.102 -2.016 1.00 0.00 C ATOM 0 H THR A 61 0.151 6.943 -4.860 1.00 0.00 H new ATOM 0 HA THR A 61 2.405 5.278 -3.883 1.00 0.00 H new ATOM 0 HB THR A 61 1.592 8.048 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.000 8.856 -4.354 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.774 8.039 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.721 6.711 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.069 6.380 -2.294 1.00 0.00 H new ATOM 554 N VAL A 62 1.008 4.324 -2.088 1.00 0.00 N ATOM 555 CA VAL A 62 0.270 3.712 -0.977 1.00 0.00 C ATOM 556 C VAL A 62 1.059 3.945 0.324 1.00 0.00 C ATOM 557 O VAL A 62 2.101 3.324 0.546 1.00 0.00 O ATOM 558 CB VAL A 62 0.034 2.179 -1.226 1.00 0.00 C ATOM 559 CG1 VAL A 62 -0.912 1.567 -0.159 1.00 0.00 C ATOM 560 CG2 VAL A 62 -0.498 1.947 -2.660 1.00 0.00 C ATOM 0 H VAL A 62 1.772 3.745 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.713 4.175 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 62 0.990 1.665 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.052 0.506 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.473 1.691 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.876 2.074 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.658 0.881 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.441 2.479 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.229 2.318 -3.382 1.00 0.00 H new ATOM 570 N VAL A 63 0.564 4.875 1.157 1.00 0.00 N ATOM 571 CA VAL A 63 1.232 5.302 2.394 1.00 0.00 C ATOM 572 C VAL A 63 0.529 4.632 3.580 1.00 0.00 C ATOM 573 O VAL A 63 -0.663 4.854 3.783 1.00 0.00 O ATOM 574 CB VAL A 63 1.165 6.871 2.556 1.00 0.00 C ATOM 575 CG1 VAL A 63 2.049 7.355 3.723 1.00 0.00 C ATOM 576 CG2 VAL A 63 1.534 7.592 1.235 1.00 0.00 C ATOM 0 H VAL A 63 -0.320 5.355 0.988 1.00 0.00 H new ATOM 0 HA VAL A 63 2.281 5.010 2.356 1.00 0.00 H new ATOM 0 HB VAL A 63 0.134 7.130 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.980 8.440 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.708 6.897 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.085 7.071 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.478 8.671 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.547 7.318 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.837 7.295 0.452 1.00 0.00 H new ATOM 586 N VAL A 64 1.260 3.809 4.348 1.00 0.00 N ATOM 587 CA VAL A 64 0.695 3.071 5.495 1.00 0.00 C ATOM 588 C VAL A 64 1.116 3.733 6.835 1.00 0.00 C ATOM 589 O VAL A 64 2.289 3.705 7.232 1.00 0.00 O ATOM 590 CB VAL A 64 1.087 1.540 5.430 1.00 0.00 C ATOM 591 CG1 VAL A 64 0.368 0.844 4.247 1.00 0.00 C ATOM 592 CG2 VAL A 64 2.619 1.325 5.327 1.00 0.00 C ATOM 0 H VAL A 64 2.253 3.635 4.195 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.392 3.121 5.441 1.00 0.00 H new ATOM 0 HB VAL A 64 0.759 1.089 6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.650 -0.209 4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.711 0.927 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.659 1.323 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.835 0.257 5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.994 1.806 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.107 1.760 6.199 1.00 0.00 H new ATOM 602 N GLY A 65 0.132 4.372 7.502 1.00 0.00 N ATOM 603 CA GLY A 65 0.348 5.057 8.779 1.00 0.00 C ATOM 604 C GLY A 65 0.234 4.113 9.972 1.00 0.00 C ATOM 605 O GLY A 65 -0.492 3.118 9.916 1.00 0.00 O ATOM 0 H GLY A 65 -0.830 4.423 7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.335 5.519 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.380 5.861 8.885 1.00 0.00 H new ATOM 609 N GLY A 66 0.986 4.412 11.043 1.00 0.00 N ATOM 610 CA GLY A 66 0.979 3.608 12.276 1.00 0.00 C ATOM 611 C GLY A 66 2.051 2.520 12.268 1.00 0.00 C ATOM 612 O GLY A 66 2.523 2.092 13.328 1.00 0.00 O ATOM 0 H GLY A 66 1.614 5.215 11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.135 4.262 13.134 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.001 3.148 12.401 1.00 0.00 H new ATOM 616 N VAL A 67 2.443 2.083 11.056 1.00 0.00 N ATOM 617 CA VAL A 67 3.432 1.008 10.837 1.00 0.00 C ATOM 618 C VAL A 67 4.606 1.545 9.984 1.00 0.00 C ATOM 619 O VAL A 67 4.410 2.372 9.083 1.00 0.00 O ATOM 620 CB VAL A 67 2.772 -0.255 10.145 1.00 0.00 C ATOM 621 CG1 VAL A 67 1.652 -0.868 11.026 1.00 0.00 C ATOM 622 CG2 VAL A 67 2.228 0.080 8.738 1.00 0.00 C ATOM 0 H VAL A 67 2.076 2.472 10.188 1.00 0.00 H new ATOM 0 HA VAL A 67 3.810 0.687 11.808 1.00 0.00 H new ATOM 0 HB VAL A 67 3.561 -0.998 10.032 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.222 -1.732 10.519 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.071 -1.180 11.983 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.874 -0.123 11.196 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.784 -0.813 8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.472 0.861 8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.045 0.428 8.106 1.00 0.00 H new ATOM 632 N SER A 68 5.825 1.088 10.297 1.00 0.00 N ATOM 633 CA SER A 68 7.058 1.501 9.592 1.00 0.00 C ATOM 634 C SER A 68 7.828 0.284 9.045 1.00 0.00 C ATOM 635 O SER A 68 8.867 0.456 8.404 1.00 0.00 O ATOM 636 CB SER A 68 7.946 2.337 10.546 1.00 0.00 C ATOM 637 OG SER A 68 7.287 3.529 10.954 1.00 0.00 O ATOM 0 H SER A 68 5.991 0.419 11.048 1.00 0.00 H new ATOM 0 HA SER A 68 6.780 2.115 8.736 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.202 1.742 11.423 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.882 2.589 10.048 1.00 0.00 H new ATOM 0 HG SER A 68 7.871 4.036 11.557 1.00 0.00 H new ATOM 643 N ASP A 69 7.305 -0.939 9.281 1.00 0.00 N ATOM 644 CA ASP A 69 7.942 -2.200 8.840 1.00 0.00 C ATOM 645 C ASP A 69 7.680 -2.442 7.333 1.00 0.00 C ATOM 646 O ASP A 69 6.751 -3.159 6.921 1.00 0.00 O ATOM 647 CB ASP A 69 7.497 -3.393 9.745 1.00 0.00 C ATOM 648 CG ASP A 69 5.974 -3.659 9.788 1.00 0.00 C ATOM 649 OD1 ASP A 69 5.195 -2.720 10.069 1.00 0.00 O ATOM 650 OD2 ASP A 69 5.552 -4.813 9.590 1.00 0.00 O ATOM 0 H ASP A 69 6.428 -1.080 9.783 1.00 0.00 H new ATOM 0 HA ASP A 69 9.023 -2.117 8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.997 -4.297 9.398 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.845 -3.206 10.761 1.00 0.00 H new ATOM 655 N ALA A 70 8.544 -1.802 6.529 1.00 0.00 N ATOM 656 CA ALA A 70 8.412 -1.692 5.069 1.00 0.00 C ATOM 657 C ALA A 70 8.432 -3.050 4.356 1.00 0.00 C ATOM 658 O ALA A 70 7.650 -3.271 3.432 1.00 0.00 O ATOM 659 CB ALA A 70 9.538 -0.795 4.530 1.00 0.00 C ATOM 0 H ALA A 70 9.376 -1.334 6.887 1.00 0.00 H new ATOM 0 HA ALA A 70 7.436 -1.252 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.447 -0.708 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.462 0.194 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.504 -1.234 4.779 1.00 0.00 H new ATOM 665 N ALA A 71 9.327 -3.946 4.814 1.00 0.00 N ATOM 666 CA ALA A 71 9.569 -5.260 4.186 1.00 0.00 C ATOM 667 C ALA A 71 8.318 -6.150 4.234 1.00 0.00 C ATOM 668 O ALA A 71 7.950 -6.767 3.225 1.00 0.00 O ATOM 669 CB ALA A 71 10.769 -5.951 4.859 1.00 0.00 C ATOM 0 H ALA A 71 9.907 -3.778 5.636 1.00 0.00 H new ATOM 0 HA ALA A 71 9.803 -5.097 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.941 -6.920 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.657 -5.330 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.559 -6.093 5.919 1.00 0.00 H new ATOM 675 N HIS A 72 7.652 -6.176 5.408 1.00 0.00 N ATOM 676 CA HIS A 72 6.425 -6.967 5.616 1.00 0.00 C ATOM 677 C HIS A 72 5.274 -6.426 4.760 1.00 0.00 C ATOM 678 O HIS A 72 4.602 -7.204 4.076 1.00 0.00 O ATOM 679 CB HIS A 72 6.009 -6.990 7.105 1.00 0.00 C ATOM 680 CG HIS A 72 6.926 -7.758 8.018 1.00 0.00 C ATOM 681 ND1 HIS A 72 7.237 -7.340 9.295 1.00 0.00 N ATOM 682 CD2 HIS A 72 7.549 -8.946 7.855 1.00 0.00 C ATOM 683 CE1 HIS A 72 8.012 -8.234 9.868 1.00 0.00 C ATOM 684 NE2 HIS A 72 8.216 -9.218 9.017 1.00 0.00 N ATOM 0 H HIS A 72 7.949 -5.653 6.232 1.00 0.00 H new ATOM 0 HA HIS A 72 6.644 -7.989 5.308 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.944 -5.962 7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.009 -7.417 7.179 1.00 0.00 H new ATOM 0 HD1 HIS A 72 6.916 -6.473 9.727 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.525 -9.566 6.971 1.00 0.00 H new ATOM 0 HE1 HIS A 72 8.414 -8.172 10.869 1.00 0.00 H new ATOM 693 N ILE A 73 5.076 -5.087 4.791 1.00 0.00 N ATOM 694 CA ILE A 73 4.017 -4.410 4.000 1.00 0.00 C ATOM 695 C ILE A 73 4.214 -4.687 2.487 1.00 0.00 C ATOM 696 O ILE A 73 3.240 -4.929 1.761 1.00 0.00 O ATOM 697 CB ILE A 73 3.988 -2.850 4.254 1.00 0.00 C ATOM 698 CG1 ILE A 73 3.737 -2.502 5.764 1.00 0.00 C ATOM 699 CG2 ILE A 73 2.931 -2.152 3.351 1.00 0.00 C ATOM 700 CD1 ILE A 73 2.342 -2.830 6.285 1.00 0.00 C ATOM 0 H ILE A 73 5.637 -4.451 5.357 1.00 0.00 H new ATOM 0 HA ILE A 73 3.062 -4.820 4.328 1.00 0.00 H new ATOM 0 HB ILE A 73 4.974 -2.470 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.468 -3.037 6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.920 -1.437 5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.935 -1.080 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.174 -2.329 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.943 -2.557 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.272 -2.552 7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.600 -2.274 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.156 -3.899 6.179 1.00 0.00 H new ATOM 712 N ALA A 74 5.495 -4.686 2.054 1.00 0.00 N ATOM 713 CA ALA A 74 5.897 -4.923 0.652 1.00 0.00 C ATOM 714 C ALA A 74 5.499 -6.332 0.187 1.00 0.00 C ATOM 715 O ALA A 74 5.060 -6.502 -0.955 1.00 0.00 O ATOM 716 CB ALA A 74 7.414 -4.695 0.473 1.00 0.00 C ATOM 0 H ALA A 74 6.286 -4.519 2.676 1.00 0.00 H new ATOM 0 HA ALA A 74 5.365 -4.205 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.689 -4.875 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.662 -3.668 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.964 -5.381 1.117 1.00 0.00 H new ATOM 722 N GLU A 75 5.629 -7.325 1.094 1.00 0.00 N ATOM 723 CA GLU A 75 5.222 -8.725 0.826 1.00 0.00 C ATOM 724 C GLU A 75 3.701 -8.827 0.597 1.00 0.00 C ATOM 725 O GLU A 75 3.251 -9.580 -0.273 1.00 0.00 O ATOM 726 CB GLU A 75 5.616 -9.656 1.998 1.00 0.00 C ATOM 727 CG GLU A 75 7.126 -9.763 2.269 1.00 0.00 C ATOM 728 CD GLU A 75 7.444 -10.680 3.464 1.00 0.00 C ATOM 729 OE1 GLU A 75 7.462 -10.196 4.617 1.00 0.00 O ATOM 730 OE2 GLU A 75 7.652 -11.901 3.258 1.00 0.00 O ATOM 0 H GLU A 75 6.016 -7.182 2.027 1.00 0.00 H new ATOM 0 HA GLU A 75 5.745 -9.041 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.125 -9.301 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.228 -10.654 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.626 -10.144 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.530 -8.769 2.460 1.00 0.00 H new ATOM 737 N ILE A 76 2.935 -8.057 1.388 1.00 0.00 N ATOM 738 CA ILE A 76 1.457 -8.092 1.374 1.00 0.00 C ATOM 739 C ILE A 76 0.895 -7.530 0.047 1.00 0.00 C ATOM 740 O ILE A 76 0.067 -8.168 -0.614 1.00 0.00 O ATOM 741 CB ILE A 76 0.862 -7.265 2.571 1.00 0.00 C ATOM 742 CG1 ILE A 76 1.458 -7.721 3.935 1.00 0.00 C ATOM 743 CG2 ILE A 76 -0.678 -7.364 2.596 1.00 0.00 C ATOM 744 CD1 ILE A 76 1.094 -6.822 5.107 1.00 0.00 C ATOM 0 H ILE A 76 3.321 -7.391 2.057 1.00 0.00 H new ATOM 0 HA ILE A 76 1.162 -9.137 1.473 1.00 0.00 H new ATOM 0 HB ILE A 76 1.141 -6.223 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.115 -8.733 4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.544 -7.764 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.066 -6.784 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.083 -6.971 1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.974 -8.407 2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.549 -7.210 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.461 -5.813 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.011 -6.798 5.224 1.00 0.00 H new ATOM 756 N ILE A 77 1.362 -6.327 -0.322 1.00 0.00 N ATOM 757 CA ILE A 77 0.862 -5.597 -1.507 1.00 0.00 C ATOM 758 C ILE A 77 1.270 -6.306 -2.823 1.00 0.00 C ATOM 759 O ILE A 77 0.480 -6.353 -3.782 1.00 0.00 O ATOM 760 CB ILE A 77 1.328 -4.087 -1.482 1.00 0.00 C ATOM 761 CG1 ILE A 77 0.785 -3.282 -2.711 1.00 0.00 C ATOM 762 CG2 ILE A 77 2.864 -3.966 -1.363 1.00 0.00 C ATOM 763 CD1 ILE A 77 1.189 -1.814 -2.739 1.00 0.00 C ATOM 0 H ILE A 77 2.094 -5.831 0.187 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.227 -5.602 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 77 0.893 -3.639 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.138 -3.759 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.303 -3.346 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.146 -2.913 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.196 -4.443 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.335 -4.456 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.768 -1.338 -3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.813 -1.316 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.276 -1.736 -2.767 1.00 0.00 H new ATOM 775 N THR A 78 2.487 -6.897 -2.847 1.00 0.00 N ATOM 776 CA THR A 78 2.983 -7.654 -4.015 1.00 0.00 C ATOM 777 C THR A 78 2.228 -9.001 -4.143 1.00 0.00 C ATOM 778 O THR A 78 2.107 -9.544 -5.244 1.00 0.00 O ATOM 779 CB THR A 78 4.542 -7.869 -3.994 1.00 0.00 C ATOM 780 OG1 THR A 78 5.005 -8.266 -5.294 1.00 0.00 O ATOM 781 CG2 THR A 78 5.000 -8.922 -2.977 1.00 0.00 C ATOM 0 H THR A 78 3.144 -6.863 -2.067 1.00 0.00 H new ATOM 0 HA THR A 78 2.778 -7.049 -4.898 1.00 0.00 H new ATOM 0 HB THR A 78 4.970 -6.911 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.976 -8.395 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.085 -9.018 -3.017 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.699 -8.615 -1.975 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.541 -9.882 -3.215 1.00 0.00 H new ATOM 789 N ALA A 79 1.739 -9.531 -2.991 1.00 0.00 N ATOM 790 CA ALA A 79 0.891 -10.747 -2.943 1.00 0.00 C ATOM 791 C ALA A 79 -0.477 -10.505 -3.609 1.00 0.00 C ATOM 792 O ALA A 79 -1.077 -11.434 -4.160 1.00 0.00 O ATOM 793 CB ALA A 79 0.713 -11.217 -1.488 1.00 0.00 C ATOM 0 H ALA A 79 1.922 -9.127 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 79 1.396 -11.533 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.089 -12.110 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.688 -11.446 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.236 -10.428 -0.906 1.00 0.00 H new ATOM 799 N ALA A 80 -0.950 -9.243 -3.550 1.00 0.00 N ATOM 800 CA ALA A 80 -2.169 -8.795 -4.260 1.00 0.00 C ATOM 801 C ALA A 80 -1.896 -8.553 -5.764 1.00 0.00 C ATOM 802 O ALA A 80 -2.814 -8.216 -6.517 1.00 0.00 O ATOM 803 CB ALA A 80 -2.719 -7.524 -3.602 1.00 0.00 C ATOM 0 H ALA A 80 -0.499 -8.505 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.914 -9.588 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.616 -7.200 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.965 -7.731 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.967 -6.736 -3.647 1.00 0.00 H new ATOM 809 N GLY A 81 -0.628 -8.713 -6.178 1.00 0.00 N ATOM 810 CA GLY A 81 -0.219 -8.597 -7.578 1.00 0.00 C ATOM 811 C GLY A 81 0.399 -7.247 -7.911 1.00 0.00 C ATOM 812 O GLY A 81 0.937 -7.075 -9.006 1.00 0.00 O ATOM 0 H GLY A 81 0.142 -8.927 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.499 -9.385 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.086 -8.760 -8.218 1.00 0.00 H new ATOM 816 N TYR A 82 0.318 -6.277 -6.974 1.00 0.00 N ATOM 817 CA TYR A 82 0.859 -4.919 -7.181 1.00 0.00 C ATOM 818 C TYR A 82 2.259 -4.819 -6.560 1.00 0.00 C ATOM 819 O TYR A 82 2.404 -4.713 -5.343 1.00 0.00 O ATOM 820 CB TYR A 82 -0.094 -3.856 -6.573 1.00 0.00 C ATOM 821 CG TYR A 82 -1.449 -3.757 -7.295 1.00 0.00 C ATOM 822 CD1 TYR A 82 -2.511 -4.618 -6.982 1.00 0.00 C ATOM 823 CD2 TYR A 82 -1.657 -2.815 -8.310 1.00 0.00 C ATOM 824 CE1 TYR A 82 -3.721 -4.529 -7.641 1.00 0.00 C ATOM 825 CE2 TYR A 82 -2.868 -2.725 -8.967 1.00 0.00 C ATOM 826 CZ TYR A 82 -3.892 -3.586 -8.635 1.00 0.00 C ATOM 827 OH TYR A 82 -5.097 -3.493 -9.292 1.00 0.00 O ATOM 0 H TYR A 82 -0.120 -6.412 -6.063 1.00 0.00 H new ATOM 0 HA TYR A 82 0.937 -4.725 -8.251 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.268 -4.094 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.396 -2.883 -6.602 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.380 -5.364 -6.212 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.855 -2.146 -8.584 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.531 -5.194 -7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.012 -1.983 -9.738 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.051 -2.778 -9.961 1.00 0.00 H new ATOM 837 N THR A 83 3.281 -4.863 -7.423 1.00 0.00 N ATOM 838 CA THR A 83 4.690 -4.773 -7.041 1.00 0.00 C ATOM 839 C THR A 83 5.070 -3.292 -6.771 1.00 0.00 C ATOM 840 O THR A 83 5.050 -2.477 -7.701 1.00 0.00 O ATOM 841 CB THR A 83 5.593 -5.386 -8.173 1.00 0.00 C ATOM 842 OG1 THR A 83 5.260 -4.795 -9.439 1.00 0.00 O ATOM 843 CG2 THR A 83 5.430 -6.917 -8.283 1.00 0.00 C ATOM 0 H THR A 83 3.145 -4.965 -8.429 1.00 0.00 H new ATOM 0 HA THR A 83 4.854 -5.343 -6.126 1.00 0.00 H new ATOM 0 HB THR A 83 6.628 -5.170 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.982 -3.865 -9.303 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.073 -7.295 -9.078 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.710 -7.382 -7.338 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.392 -7.157 -8.511 1.00 0.00 H new ATOM 851 N PRO A 84 5.389 -2.910 -5.486 1.00 0.00 N ATOM 852 CA PRO A 84 5.782 -1.519 -5.134 1.00 0.00 C ATOM 853 C PRO A 84 7.233 -1.171 -5.534 1.00 0.00 C ATOM 854 O PRO A 84 7.678 -0.037 -5.321 1.00 0.00 O ATOM 855 CB PRO A 84 5.581 -1.486 -3.599 1.00 0.00 C ATOM 856 CG PRO A 84 5.880 -2.888 -3.163 1.00 0.00 C ATOM 857 CD PRO A 84 5.367 -3.786 -4.277 1.00 0.00 C ATOM 0 HA PRO A 84 5.193 -0.775 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.251 -0.769 -3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.564 -1.195 -3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.950 -3.030 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.388 -3.117 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.002 -4.662 -4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.361 -4.149 -4.066 1.00 0.00 H new ATOM 865 N GLU A 85 7.956 -2.159 -6.097 1.00 0.00 N ATOM 866 CA GLU A 85 9.311 -1.983 -6.631 1.00 0.00 C ATOM 867 C GLU A 85 9.269 -1.084 -7.893 1.00 0.00 C ATOM 868 O GLU A 85 8.625 -1.481 -8.895 1.00 0.00 O ATOM 869 CB GLU A 85 9.934 -3.361 -6.974 1.00 0.00 C ATOM 870 CG GLU A 85 11.399 -3.293 -7.461 1.00 0.00 C ATOM 871 CD GLU A 85 11.924 -4.658 -7.929 1.00 0.00 C ATOM 872 OE1 GLU A 85 12.407 -5.441 -7.088 1.00 0.00 O ATOM 873 OE2 GLU A 85 11.812 -4.967 -9.132 1.00 0.00 O ATOM 874 OXT GLU A 85 9.861 0.014 -7.879 1.00 0.00 O ATOM 0 H GLU A 85 7.606 -3.112 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 85 9.930 -1.500 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.886 -3.998 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.329 -3.838 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.474 -2.578 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.030 -2.921 -6.654 1.00 0.00 H new TER 881 GLU A 85