USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 795 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 Single : A 0 HIS : no HD1:sc= -0.0485 X(o=-0.048,f=-0.23) USER MOD Single : A 1 MET CE :methyl -174:sc= -6! (180deg=-6.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -130:sc= 0.0385 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -5.57! USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.29! C(o=-2!,f=-1.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -13.1! C(o=-15!,f=-13!) USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= -0.142 (180deg=-0.654) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 87 GLN : amide:sc= -0.0777 K(o=-0.078,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 20.859 10.481 -6.533 1.00 0.00 N ATOM 2 CA GLY A -2 19.922 11.455 -7.066 1.00 0.00 C ATOM 3 C GLY A -2 18.543 10.827 -7.281 1.00 0.00 C ATOM 4 O GLY A -2 18.152 9.916 -6.553 1.00 0.00 O ATOM 0 H1 GLY A -2 21.338 10.880 -5.701 1.00 0.00 H new ATOM 0 H2 GLY A -2 20.345 9.620 -6.257 1.00 0.00 H new ATOM 0 H3 GLY A -2 21.565 10.245 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A -2 19.839 12.298 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.298 11.848 -8.011 1.00 0.00 H new ATOM 8 N SER A -1 17.844 11.340 -8.282 1.00 0.00 N ATOM 9 CA SER A -1 16.517 10.842 -8.601 1.00 0.00 C ATOM 10 C SER A -1 16.546 9.317 -8.726 1.00 0.00 C ATOM 11 O SER A -1 17.489 8.754 -9.279 1.00 0.00 O ATOM 12 CB SER A -1 15.988 11.469 -9.893 1.00 0.00 C ATOM 13 OG SER A -1 15.947 12.892 -9.817 1.00 0.00 O ATOM 0 H SER A -1 18.172 12.096 -8.883 1.00 0.00 H new ATOM 0 HA SER A -1 15.844 11.122 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A -1 16.621 11.168 -10.728 1.00 0.00 H new ATOM 0 HB3 SER A -1 14.988 11.088 -10.098 1.00 0.00 H new ATOM 0 HG SER A -1 15.606 13.255 -10.661 1.00 0.00 H new ATOM 19 N HIS A 0 15.502 8.692 -8.201 1.00 0.00 N ATOM 20 CA HIS A 0 15.397 7.244 -8.247 1.00 0.00 C ATOM 21 C HIS A 0 13.928 6.832 -8.126 1.00 0.00 C ATOM 22 O HIS A 0 13.032 7.645 -8.346 1.00 0.00 O ATOM 23 CB HIS A 0 16.283 6.601 -7.178 1.00 0.00 C ATOM 24 CG HIS A 0 17.400 5.752 -7.735 1.00 0.00 C ATOM 25 ND1 HIS A 0 17.187 4.752 -8.669 1.00 0.00 N ATOM 26 CD2 HIS A 0 18.740 5.763 -7.482 1.00 0.00 C ATOM 27 CE1 HIS A 0 18.354 4.194 -8.957 1.00 0.00 C ATOM 28 NE2 HIS A 0 19.315 4.822 -8.220 1.00 0.00 N ATOM 0 H HIS A 0 14.722 9.162 -7.742 1.00 0.00 H new ATOM 0 HA HIS A 0 15.763 6.879 -9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 0 16.713 7.387 -6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 0 15.662 5.985 -6.528 1.00 0.00 H new ATOM 0 HD2 HIS A 0 19.248 6.426 -6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 0 18.516 3.384 -9.653 1.00 0.00 H new ATOM 0 HE2 HIS A 0 20.311 4.604 -8.234 1.00 0.00 H new ATOM 36 N MET A 1 13.728 5.570 -7.776 1.00 0.00 N ATOM 37 CA MET A 1 12.383 5.040 -7.623 1.00 0.00 C ATOM 38 C MET A 1 11.556 5.271 -8.890 1.00 0.00 C ATOM 39 O MET A 1 11.004 6.352 -9.087 1.00 0.00 O ATOM 40 CB MET A 1 11.699 5.720 -6.436 1.00 0.00 C ATOM 41 CG MET A 1 10.205 5.390 -6.402 1.00 0.00 C ATOM 42 SD MET A 1 9.742 4.819 -4.775 1.00 0.00 S ATOM 43 CE MET A 1 10.839 3.420 -4.614 1.00 0.00 C ATOM 0 H MET A 1 14.474 4.899 -7.594 1.00 0.00 H new ATOM 0 HA MET A 1 12.453 3.966 -7.448 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.168 5.396 -5.507 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.835 6.799 -6.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.623 6.273 -6.666 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.976 4.625 -7.144 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.608 2.880 -3.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.709 2.755 -5.468 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.871 3.769 -4.580 1.00 0.00 H new ATOM 53 N ASP A 2 11.496 4.236 -9.715 1.00 0.00 N ATOM 54 CA ASP A 2 10.745 4.312 -10.957 1.00 0.00 C ATOM 55 C ASP A 2 9.470 3.476 -10.829 1.00 0.00 C ATOM 56 O ASP A 2 9.336 2.680 -9.901 1.00 0.00 O ATOM 57 CB ASP A 2 11.559 3.756 -12.127 1.00 0.00 C ATOM 58 CG ASP A 2 12.960 4.352 -12.282 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.885 3.799 -11.649 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.073 5.348 -13.028 1.00 0.00 O ATOM 0 H ASP A 2 11.955 3.341 -9.548 1.00 0.00 H new ATOM 0 HA ASP A 2 10.510 5.360 -11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.651 2.677 -12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.004 3.926 -13.050 1.00 0.00 H new ATOM 65 N LEU A 3 8.566 3.686 -11.775 1.00 0.00 N ATOM 66 CA LEU A 3 7.306 2.962 -11.779 1.00 0.00 C ATOM 67 C LEU A 3 7.568 1.493 -12.120 1.00 0.00 C ATOM 68 O LEU A 3 7.030 0.596 -11.473 1.00 0.00 O ATOM 69 CB LEU A 3 6.302 3.640 -12.713 1.00 0.00 C ATOM 70 CG LEU A 3 5.442 4.740 -12.088 1.00 0.00 C ATOM 71 CD1 LEU A 3 6.075 6.117 -12.298 1.00 0.00 C ATOM 72 CD2 LEU A 3 4.007 4.682 -12.616 1.00 0.00 C ATOM 0 H LEU A 3 8.681 4.347 -12.543 1.00 0.00 H new ATOM 0 HA LEU A 3 6.851 2.984 -10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.849 4.067 -13.553 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.640 2.875 -13.119 1.00 0.00 H new ATOM 0 HG LEU A 3 5.396 4.567 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.444 6.881 -11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.061 6.139 -11.834 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.172 6.314 -13.366 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.418 5.475 -12.155 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.012 4.815 -13.698 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.568 3.715 -12.371 1.00 0.00 H new ATOM 84 N GLU A 4 8.394 1.293 -13.137 1.00 0.00 N ATOM 85 CA GLU A 4 8.734 -0.051 -13.572 1.00 0.00 C ATOM 86 C GLU A 4 9.215 -0.887 -12.384 1.00 0.00 C ATOM 87 O GLU A 4 8.822 -2.043 -12.235 1.00 0.00 O ATOM 88 CB GLU A 4 9.787 -0.018 -14.681 1.00 0.00 C ATOM 89 CG GLU A 4 9.141 -0.209 -16.055 1.00 0.00 C ATOM 90 CD GLU A 4 9.670 -1.471 -16.739 1.00 0.00 C ATOM 91 OE1 GLU A 4 10.706 -1.352 -17.428 1.00 0.00 O ATOM 92 OE2 GLU A 4 9.025 -2.527 -16.559 1.00 0.00 O ATOM 0 H GLU A 4 8.838 2.039 -13.672 1.00 0.00 H new ATOM 0 HA GLU A 4 7.838 -0.518 -13.981 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.319 0.933 -14.654 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.525 -0.801 -14.510 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.059 -0.277 -15.946 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.344 0.660 -16.680 1.00 0.00 H new ATOM 99 N THR A 5 10.059 -0.270 -11.570 1.00 0.00 N ATOM 100 CA THR A 5 10.597 -0.944 -10.400 1.00 0.00 C ATOM 101 C THR A 5 9.521 -1.084 -9.323 1.00 0.00 C ATOM 102 O THR A 5 9.508 -2.062 -8.577 1.00 0.00 O ATOM 103 CB THR A 5 11.828 -0.165 -9.932 1.00 0.00 C ATOM 104 OG1 THR A 5 12.900 -0.722 -10.688 1.00 0.00 O ATOM 105 CG2 THR A 5 12.197 -0.473 -8.479 1.00 0.00 C ATOM 0 H THR A 5 10.383 0.689 -11.697 1.00 0.00 H new ATOM 0 HA THR A 5 10.908 -1.961 -10.637 1.00 0.00 H new ATOM 0 HB THR A 5 11.645 0.904 -10.042 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.737 -0.273 -10.448 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.077 0.105 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.364 -0.208 -7.828 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.413 -1.536 -8.376 1.00 0.00 H new ATOM 113 N LEU A 6 8.643 -0.093 -9.275 1.00 0.00 N ATOM 114 CA LEU A 6 7.565 -0.093 -8.302 1.00 0.00 C ATOM 115 C LEU A 6 6.681 -1.322 -8.526 1.00 0.00 C ATOM 116 O LEU A 6 6.155 -1.895 -7.573 1.00 0.00 O ATOM 117 CB LEU A 6 6.799 1.231 -8.349 1.00 0.00 C ATOM 118 CG LEU A 6 7.241 2.297 -7.343 1.00 0.00 C ATOM 119 CD1 LEU A 6 8.596 1.942 -6.727 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.249 3.686 -7.985 1.00 0.00 C ATOM 0 H LEU A 6 8.657 0.716 -9.895 1.00 0.00 H new ATOM 0 HA LEU A 6 7.966 -0.167 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.891 1.646 -9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.742 1.022 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 6 6.515 2.322 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.886 2.716 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.522 0.985 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.347 1.872 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.567 4.425 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.940 3.693 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.246 3.931 -8.336 1.00 0.00 H new ATOM 132 N ARG A 7 6.547 -1.691 -9.791 1.00 0.00 N ATOM 133 CA ARG A 7 5.736 -2.842 -10.153 1.00 0.00 C ATOM 134 C ARG A 7 6.438 -4.137 -9.738 1.00 0.00 C ATOM 135 O ARG A 7 5.798 -5.062 -9.240 1.00 0.00 O ATOM 136 CB ARG A 7 5.468 -2.875 -11.659 1.00 0.00 C ATOM 137 CG ARG A 7 5.455 -1.462 -12.245 1.00 0.00 C ATOM 138 CD ARG A 7 4.315 -1.296 -13.252 1.00 0.00 C ATOM 139 NE ARG A 7 4.863 -1.191 -14.623 1.00 0.00 N ATOM 140 CZ ARG A 7 4.127 -1.306 -15.737 1.00 0.00 C ATOM 141 NH1 ARG A 7 2.809 -1.531 -15.649 1.00 0.00 N ATOM 142 NH2 ARG A 7 4.709 -1.196 -16.939 1.00 0.00 N ATOM 0 H ARG A 7 6.986 -1.214 -10.578 1.00 0.00 H new ATOM 0 HA ARG A 7 4.785 -2.756 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.234 -3.471 -12.155 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.511 -3.361 -11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.345 -0.733 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.408 -1.258 -12.733 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.635 -2.145 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.735 -0.404 -13.014 1.00 0.00 H new ATOM 0 HE ARG A 7 5.863 -1.020 -14.726 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.366 -1.615 -14.734 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.249 -1.619 -16.497 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.712 -1.025 -17.006 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.149 -1.284 -17.787 1.00 0.00 H new ATOM 156 N ALA A 8 7.744 -4.161 -9.959 1.00 0.00 N ATOM 157 CA ALA A 8 8.539 -5.327 -9.614 1.00 0.00 C ATOM 158 C ALA A 8 8.454 -5.570 -8.106 1.00 0.00 C ATOM 159 O ALA A 8 8.141 -6.677 -7.669 1.00 0.00 O ATOM 160 CB ALA A 8 9.979 -5.123 -10.091 1.00 0.00 C ATOM 0 H ALA A 8 8.271 -3.392 -10.373 1.00 0.00 H new ATOM 0 HA ALA A 8 8.152 -6.216 -10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.575 -5.998 -9.832 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.988 -4.985 -11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.400 -4.241 -9.609 1.00 0.00 H new ATOM 166 N ARG A 9 8.737 -4.518 -7.353 1.00 0.00 N ATOM 167 CA ARG A 9 8.696 -4.604 -5.903 1.00 0.00 C ATOM 168 C ARG A 9 7.266 -4.870 -5.427 1.00 0.00 C ATOM 169 O ARG A 9 7.059 -5.550 -4.424 1.00 0.00 O ATOM 170 CB ARG A 9 9.208 -3.313 -5.260 1.00 0.00 C ATOM 171 CG ARG A 9 8.623 -2.083 -5.958 1.00 0.00 C ATOM 172 CD ARG A 9 7.854 -1.206 -4.969 1.00 0.00 C ATOM 173 NE ARG A 9 6.914 -2.035 -4.182 1.00 0.00 N ATOM 174 CZ ARG A 9 5.774 -1.576 -3.647 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.425 -0.293 -3.812 1.00 0.00 N ATOM 176 NH2 ARG A 9 4.982 -2.401 -2.948 1.00 0.00 N ATOM 0 H ARG A 9 8.996 -3.602 -7.719 1.00 0.00 H new ATOM 0 HA ARG A 9 9.342 -5.428 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.940 -3.298 -4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.296 -3.283 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.425 -1.504 -6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.959 -2.398 -6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.551 -0.699 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.307 -0.432 -5.506 1.00 0.00 H new ATOM 0 HE ARG A 9 7.148 -3.017 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.027 0.335 -4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.557 0.056 -3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.247 -3.378 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.114 -2.052 -2.541 1.00 0.00 H new ATOM 190 N ARG A 10 6.317 -4.318 -6.170 1.00 0.00 N ATOM 191 CA ARG A 10 4.913 -4.487 -5.836 1.00 0.00 C ATOM 192 C ARG A 10 4.530 -5.968 -5.890 1.00 0.00 C ATOM 193 O ARG A 10 3.709 -6.429 -5.098 1.00 0.00 O ATOM 194 CB ARG A 10 4.020 -3.701 -6.798 1.00 0.00 C ATOM 195 CG ARG A 10 3.217 -2.634 -6.052 1.00 0.00 C ATOM 196 CD ARG A 10 3.957 -1.295 -6.045 1.00 0.00 C ATOM 197 NE ARG A 10 3.798 -0.622 -7.354 1.00 0.00 N ATOM 198 CZ ARG A 10 2.632 -0.157 -7.822 1.00 0.00 C ATOM 199 NH1 ARG A 10 1.516 -0.288 -7.092 1.00 0.00 N ATOM 200 NH2 ARG A 10 2.582 0.440 -9.021 1.00 0.00 N ATOM 0 H ARG A 10 6.493 -3.754 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 10 4.763 -4.106 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.633 -3.229 -7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.340 -4.383 -7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.242 -2.512 -6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.037 -2.959 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.567 -0.659 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.015 -1.456 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 10 4.628 -0.505 -7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.554 -0.742 -6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.629 0.066 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.431 0.540 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.694 0.794 -9.378 1.00 0.00 H new ATOM 214 N GLU A 11 5.142 -6.671 -6.831 1.00 0.00 N ATOM 215 CA GLU A 11 4.875 -8.090 -6.998 1.00 0.00 C ATOM 216 C GLU A 11 5.462 -8.882 -5.827 1.00 0.00 C ATOM 217 O GLU A 11 4.786 -9.728 -5.245 1.00 0.00 O ATOM 218 CB GLU A 11 5.422 -8.597 -8.333 1.00 0.00 C ATOM 219 CG GLU A 11 5.748 -10.090 -8.260 1.00 0.00 C ATOM 220 CD GLU A 11 4.498 -10.909 -7.931 1.00 0.00 C ATOM 221 OE1 GLU A 11 3.481 -10.695 -8.625 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.588 -11.730 -6.993 1.00 0.00 O ATOM 0 H GLU A 11 5.822 -6.285 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 11 3.795 -8.239 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.690 -8.419 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.319 -8.038 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.165 -10.422 -9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.511 -10.263 -7.500 1.00 0.00 H new ATOM 229 N ALA A 12 6.714 -8.578 -5.518 1.00 0.00 N ATOM 230 CA ALA A 12 7.400 -9.251 -4.428 1.00 0.00 C ATOM 231 C ALA A 12 6.803 -8.794 -3.096 1.00 0.00 C ATOM 232 O ALA A 12 6.695 -9.581 -2.157 1.00 0.00 O ATOM 233 CB ALA A 12 8.902 -8.973 -4.521 1.00 0.00 C ATOM 0 H ALA A 12 7.271 -7.875 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 12 7.264 -10.330 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.417 -9.478 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.282 -9.343 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.078 -7.899 -4.453 1.00 0.00 H new ATOM 239 N VAL A 13 6.431 -7.523 -3.056 1.00 0.00 N ATOM 240 CA VAL A 13 5.848 -6.951 -1.855 1.00 0.00 C ATOM 241 C VAL A 13 4.477 -7.583 -1.608 1.00 0.00 C ATOM 242 O VAL A 13 4.093 -7.814 -0.462 1.00 0.00 O ATOM 243 CB VAL A 13 5.791 -5.427 -1.975 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.789 -4.835 -0.981 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.178 -4.810 -1.787 1.00 0.00 C ATOM 0 H VAL A 13 6.522 -6.873 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 13 6.469 -7.172 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 13 5.449 -5.183 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.768 -3.750 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.796 -5.238 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.088 -5.094 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.109 -3.726 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.560 -5.069 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.854 -5.195 -2.550 1.00 0.00 H new ATOM 255 N LEU A 14 3.776 -7.844 -2.701 1.00 0.00 N ATOM 256 CA LEU A 14 2.455 -8.445 -2.618 1.00 0.00 C ATOM 257 C LEU A 14 2.558 -9.795 -1.907 1.00 0.00 C ATOM 258 O LEU A 14 1.731 -10.117 -1.055 1.00 0.00 O ATOM 259 CB LEU A 14 1.816 -8.527 -4.006 1.00 0.00 C ATOM 260 CG LEU A 14 1.030 -7.294 -4.457 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.476 -7.556 -4.407 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.426 -6.063 -3.640 1.00 0.00 C ATOM 0 H LEU A 14 4.098 -7.650 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 14 1.789 -7.821 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.603 -8.719 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.147 -9.387 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 14 1.286 -7.086 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.011 -6.664 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.723 -8.388 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.769 -7.803 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.853 -5.201 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.218 -6.244 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.490 -5.866 -3.771 1.00 0.00 H new ATOM 274 N SER A 15 3.580 -10.550 -2.283 1.00 0.00 N ATOM 275 CA SER A 15 3.801 -11.859 -1.692 1.00 0.00 C ATOM 276 C SER A 15 4.201 -11.708 -0.223 1.00 0.00 C ATOM 277 O SER A 15 3.830 -12.531 0.612 1.00 0.00 O ATOM 278 CB SER A 15 4.875 -12.634 -2.458 1.00 0.00 C ATOM 279 OG SER A 15 4.853 -14.025 -2.147 1.00 0.00 O ATOM 0 H SER A 15 4.264 -10.280 -2.990 1.00 0.00 H new ATOM 0 HA SER A 15 2.871 -12.424 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.725 -12.499 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.857 -12.225 -2.220 1.00 0.00 H new ATOM 0 HG SER A 15 5.552 -14.485 -2.657 1.00 0.00 H new ATOM 285 N LEU A 16 4.954 -10.652 0.047 1.00 0.00 N ATOM 286 CA LEU A 16 5.408 -10.383 1.401 1.00 0.00 C ATOM 287 C LEU A 16 4.248 -9.814 2.220 1.00 0.00 C ATOM 288 O LEU A 16 4.068 -10.174 3.383 1.00 0.00 O ATOM 289 CB LEU A 16 6.646 -9.485 1.382 1.00 0.00 C ATOM 290 CG LEU A 16 6.730 -8.434 2.491 1.00 0.00 C ATOM 291 CD1 LEU A 16 8.111 -7.777 2.521 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.607 -7.403 2.355 1.00 0.00 C ATOM 0 H LEU A 16 5.261 -9.972 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 16 5.720 -11.307 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.531 -10.119 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.684 -8.973 0.420 1.00 0.00 H new ATOM 0 HG LEU A 16 6.592 -8.936 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.143 -7.034 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.871 -8.537 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.304 -7.291 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.689 -6.667 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.689 -6.901 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.642 -7.905 2.422 1.00 0.00 H new ATOM 304 N CYS A 17 3.490 -8.934 1.581 1.00 0.00 N ATOM 305 CA CYS A 17 2.352 -8.312 2.236 1.00 0.00 C ATOM 306 C CYS A 17 1.397 -9.417 2.693 1.00 0.00 C ATOM 307 O CYS A 17 0.704 -9.266 3.699 1.00 0.00 O ATOM 308 CB CYS A 17 1.658 -7.299 1.323 1.00 0.00 C ATOM 309 SG CYS A 17 2.134 -5.598 1.799 1.00 0.00 S ATOM 0 H CYS A 17 3.642 -8.637 0.617 1.00 0.00 H new ATOM 0 HA CYS A 17 2.693 -7.747 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.933 -7.485 0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.576 -7.416 1.393 1.00 0.00 H new ATOM 0 HG CYS A 17 1.541 -4.746 1.016 1.00 0.00 H new ATOM 315 N ALA A 18 1.391 -10.502 1.933 1.00 0.00 N ATOM 316 CA ALA A 18 0.533 -11.631 2.247 1.00 0.00 C ATOM 317 C ALA A 18 1.064 -12.337 3.497 1.00 0.00 C ATOM 318 O ALA A 18 0.289 -12.867 4.292 1.00 0.00 O ATOM 319 CB ALA A 18 0.455 -12.565 1.038 1.00 0.00 C ATOM 0 H ALA A 18 1.967 -10.623 1.100 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.481 -11.294 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.189 -13.412 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.045 -12.023 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.454 -12.926 0.792 1.00 0.00 H new ATOM 325 N ARG A 19 2.382 -12.323 3.631 1.00 0.00 N ATOM 326 CA ARG A 19 3.026 -12.955 4.769 1.00 0.00 C ATOM 327 C ARG A 19 2.808 -12.121 6.033 1.00 0.00 C ATOM 328 O ARG A 19 2.959 -12.622 7.146 1.00 0.00 O ATOM 329 CB ARG A 19 4.527 -13.124 4.530 1.00 0.00 C ATOM 330 CG ARG A 19 4.872 -14.580 4.210 1.00 0.00 C ATOM 331 CD ARG A 19 4.907 -14.815 2.698 1.00 0.00 C ATOM 332 NE ARG A 19 5.253 -16.225 2.413 1.00 0.00 N ATOM 333 CZ ARG A 19 6.508 -16.690 2.332 1.00 0.00 C ATOM 334 NH1 ARG A 19 7.543 -15.858 2.513 1.00 0.00 N ATOM 335 NH2 ARG A 19 6.727 -17.985 2.069 1.00 0.00 N ATOM 0 H ARG A 19 3.022 -11.883 2.969 1.00 0.00 H new ATOM 0 HA ARG A 19 2.578 -13.940 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.842 -12.483 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.078 -12.802 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.840 -14.832 4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.136 -15.241 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.937 -14.575 2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.638 -14.152 2.235 1.00 0.00 H new ATOM 0 HE ARG A 19 4.489 -16.885 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.376 -14.872 2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.498 -16.211 2.452 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.939 -18.618 1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.682 -18.339 2.007 1.00 0.00 H new ATOM 349 N HIS A 20 2.457 -10.861 5.819 1.00 0.00 N ATOM 350 CA HIS A 20 2.217 -9.952 6.927 1.00 0.00 C ATOM 351 C HIS A 20 0.714 -9.860 7.198 1.00 0.00 C ATOM 352 O HIS A 20 0.295 -9.720 8.346 1.00 0.00 O ATOM 353 CB HIS A 20 2.856 -8.589 6.659 1.00 0.00 C ATOM 354 CG HIS A 20 4.358 -8.571 6.821 1.00 0.00 C ATOM 355 ND1 HIS A 20 5.354 -8.812 5.922 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.978 -8.281 8.024 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 6.520 -8.675 6.541 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 6.289 -8.347 7.844 1.00 0.00 N flip ATOM 0 H HIS A 20 2.333 -10.448 4.894 1.00 0.00 H new ATOM 0 HA HIS A 20 2.691 -10.339 7.829 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.607 -8.275 5.645 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.419 -7.855 7.336 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.478 -8.042 8.951 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.492 -8.802 6.087 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.001 -8.181 8.556 1.00 0.00 H new ATOM 366 N GLY A 21 -0.055 -9.941 6.123 1.00 0.00 N ATOM 367 CA GLY A 21 -1.502 -9.868 6.231 1.00 0.00 C ATOM 368 C GLY A 21 -2.061 -8.739 5.362 1.00 0.00 C ATOM 369 O GLY A 21 -2.436 -7.685 5.874 1.00 0.00 O ATOM 0 H GLY A 21 0.297 -10.057 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.941 -10.818 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.785 -9.705 7.271 1.00 0.00 H new ATOM 373 N ALA A 22 -2.097 -8.997 4.063 1.00 0.00 N ATOM 374 CA ALA A 22 -2.603 -8.015 3.119 1.00 0.00 C ATOM 375 C ALA A 22 -3.315 -8.737 1.973 1.00 0.00 C ATOM 376 O ALA A 22 -2.668 -9.290 1.085 1.00 0.00 O ATOM 377 CB ALA A 22 -1.450 -7.137 2.628 1.00 0.00 C ATOM 0 H ALA A 22 -1.784 -9.872 3.642 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.330 -7.360 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.830 -6.400 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.996 -6.625 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.702 -7.760 2.138 1.00 0.00 H new ATOM 383 N VAL A 23 -4.639 -8.707 2.030 1.00 0.00 N ATOM 384 CA VAL A 23 -5.446 -9.352 1.008 1.00 0.00 C ATOM 385 C VAL A 23 -5.981 -8.291 0.043 1.00 0.00 C ATOM 386 O VAL A 23 -6.077 -8.532 -1.159 1.00 0.00 O ATOM 387 CB VAL A 23 -6.555 -10.179 1.661 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.025 -11.539 2.122 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.195 -9.418 2.823 1.00 0.00 C ATOM 0 H VAL A 23 -5.172 -8.246 2.767 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.841 -10.047 0.426 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.326 -10.356 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.833 -12.107 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.638 -12.089 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.226 -11.391 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.980 -10.028 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.437 -9.196 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.625 -8.486 2.455 1.00 0.00 H new ATOM 399 N ARG A 24 -6.316 -7.140 0.607 1.00 0.00 N ATOM 400 CA ARG A 24 -6.839 -6.042 -0.188 1.00 0.00 C ATOM 401 C ARG A 24 -5.692 -5.249 -0.818 1.00 0.00 C ATOM 402 O ARG A 24 -5.654 -4.023 -0.722 1.00 0.00 O ATOM 403 CB ARG A 24 -7.692 -5.101 0.665 1.00 0.00 C ATOM 404 CG ARG A 24 -9.050 -5.730 0.984 1.00 0.00 C ATOM 405 CD ARG A 24 -9.890 -5.892 -0.284 1.00 0.00 C ATOM 406 NE ARG A 24 -11.315 -6.076 0.072 1.00 0.00 N ATOM 407 CZ ARG A 24 -12.239 -6.573 -0.760 1.00 0.00 C ATOM 408 NH1 ARG A 24 -11.895 -6.940 -2.002 1.00 0.00 N ATOM 409 NH2 ARG A 24 -13.509 -6.704 -0.351 1.00 0.00 N ATOM 0 H ARG A 24 -6.235 -6.944 1.605 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.464 -6.469 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.168 -4.869 1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.839 -4.159 0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.903 -6.702 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.584 -5.107 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.776 -5.014 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.536 -6.749 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.612 -5.807 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.929 -6.841 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.599 -7.319 -2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.772 -6.425 0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.213 -7.083 -0.985 1.00 0.00 H new ATOM 423 N VAL A 25 -4.785 -5.981 -1.448 1.00 0.00 N ATOM 424 CA VAL A 25 -3.640 -5.361 -2.093 1.00 0.00 C ATOM 425 C VAL A 25 -4.121 -4.519 -3.277 1.00 0.00 C ATOM 426 O VAL A 25 -4.416 -5.054 -4.344 1.00 0.00 O ATOM 427 CB VAL A 25 -2.623 -6.431 -2.495 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.816 -6.903 -1.284 1.00 0.00 C ATOM 429 CG2 VAL A 25 -3.312 -7.609 -3.188 1.00 0.00 C ATOM 0 H VAL A 25 -4.820 -6.997 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.130 -4.690 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.929 -5.983 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.101 -7.663 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.281 -6.058 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.491 -7.325 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.567 -8.355 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.039 -8.055 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.821 -7.256 -4.085 1.00 0.00 H new ATOM 439 N ARG A 26 -4.185 -3.216 -3.047 1.00 0.00 N ATOM 440 CA ARG A 26 -4.625 -2.294 -4.081 1.00 0.00 C ATOM 441 C ARG A 26 -3.992 -0.917 -3.870 1.00 0.00 C ATOM 442 O ARG A 26 -3.620 -0.566 -2.751 1.00 0.00 O ATOM 443 CB ARG A 26 -6.148 -2.153 -4.081 1.00 0.00 C ATOM 444 CG ARG A 26 -6.777 -2.995 -5.193 1.00 0.00 C ATOM 445 CD ARG A 26 -8.148 -2.444 -5.590 1.00 0.00 C ATOM 446 NE ARG A 26 -9.133 -2.720 -4.520 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.719 -3.910 -4.327 1.00 0.00 C ATOM 448 NH1 ARG A 26 -9.423 -4.940 -5.130 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.601 -4.068 -3.331 1.00 0.00 N ATOM 0 H ARG A 26 -3.940 -2.776 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.309 -2.699 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.546 -2.465 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.420 -1.106 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.120 -3.005 -6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.879 -4.027 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.081 -1.370 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.476 -2.900 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.381 -1.957 -3.890 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.752 -4.819 -5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.869 -5.846 -4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.826 -3.283 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.047 -4.973 -3.184 1.00 0.00 H new ATOM 463 N VAL A 27 -3.889 -0.175 -4.962 1.00 0.00 N ATOM 464 CA VAL A 27 -3.308 1.156 -4.910 1.00 0.00 C ATOM 465 C VAL A 27 -4.399 2.195 -5.174 1.00 0.00 C ATOM 466 O VAL A 27 -5.093 2.129 -6.188 1.00 0.00 O ATOM 467 CB VAL A 27 -2.138 1.255 -5.891 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.242 2.449 -5.557 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.333 -0.046 -5.917 1.00 0.00 C ATOM 0 H VAL A 27 -4.198 -0.470 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.901 1.357 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.549 1.414 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.418 2.496 -6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.825 3.368 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.844 2.334 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.507 0.051 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.938 -0.249 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.979 -0.868 -6.226 1.00 0.00 H new ATOM 479 N PHE A 28 -4.518 3.132 -4.244 1.00 0.00 N ATOM 480 CA PHE A 28 -5.513 4.183 -4.364 1.00 0.00 C ATOM 481 C PHE A 28 -4.862 5.566 -4.284 1.00 0.00 C ATOM 482 O PHE A 28 -3.986 5.796 -3.451 1.00 0.00 O ATOM 483 CB PHE A 28 -6.481 4.020 -3.190 1.00 0.00 C ATOM 484 CG PHE A 28 -6.040 4.742 -1.915 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.263 4.099 -1.003 1.00 0.00 C ATOM 486 CD2 PHE A 28 -6.426 6.027 -1.694 1.00 0.00 C ATOM 487 CE1 PHE A 28 -4.854 4.769 0.180 1.00 0.00 C ATOM 488 CE2 PHE A 28 -6.017 6.698 -0.511 1.00 0.00 C ATOM 489 CZ PHE A 28 -5.240 6.054 0.401 1.00 0.00 C ATOM 0 H PHE A 28 -3.941 3.185 -3.404 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.022 4.105 -5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.461 4.393 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.597 2.958 -2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.957 3.078 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.044 6.537 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.237 4.258 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.323 7.719 -0.336 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.929 6.564 1.301 1.00 0.00 H new ATOM 499 N GLY A 29 -5.316 6.450 -5.161 1.00 0.00 N ATOM 500 CA GLY A 29 -4.788 7.803 -5.200 1.00 0.00 C ATOM 501 C GLY A 29 -4.030 8.059 -6.504 1.00 0.00 C ATOM 502 O GLY A 29 -4.194 7.323 -7.476 1.00 0.00 O ATOM 0 H GLY A 29 -6.043 6.256 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.605 8.519 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.123 7.962 -4.351 1.00 0.00 H new ATOM 506 N SER A 30 -3.215 9.103 -6.482 1.00 0.00 N ATOM 507 CA SER A 30 -2.430 9.465 -7.650 1.00 0.00 C ATOM 508 C SER A 30 -1.311 8.444 -7.866 1.00 0.00 C ATOM 509 O SER A 30 -0.910 8.188 -9.000 1.00 0.00 O ATOM 510 CB SER A 30 -1.845 10.871 -7.507 1.00 0.00 C ATOM 511 OG SER A 30 -2.275 11.737 -8.554 1.00 0.00 O ATOM 0 H SER A 30 -3.081 9.710 -5.673 1.00 0.00 H new ATOM 0 HA SER A 30 -3.089 9.462 -8.518 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.140 11.290 -6.545 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.757 10.813 -7.509 1.00 0.00 H new ATOM 0 HG SER A 30 -1.881 12.625 -8.426 1.00 0.00 H new ATOM 517 N VAL A 31 -0.840 7.888 -6.759 1.00 0.00 N ATOM 518 CA VAL A 31 0.225 6.901 -6.813 1.00 0.00 C ATOM 519 C VAL A 31 -0.219 5.725 -7.686 1.00 0.00 C ATOM 520 O VAL A 31 0.543 5.248 -8.525 1.00 0.00 O ATOM 521 CB VAL A 31 0.619 6.478 -5.396 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.279 7.635 -4.643 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.591 5.943 -4.627 1.00 0.00 C ATOM 0 H VAL A 31 -1.176 8.102 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 31 1.118 7.327 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 31 1.348 5.671 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.549 7.308 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.176 7.951 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.582 8.471 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.283 5.649 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.352 6.720 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.000 5.078 -5.149 1.00 0.00 H new ATOM 533 N ALA A 32 -1.450 5.292 -7.457 1.00 0.00 N ATOM 534 CA ALA A 32 -2.005 4.181 -8.212 1.00 0.00 C ATOM 535 C ALA A 32 -1.864 4.467 -9.709 1.00 0.00 C ATOM 536 O ALA A 32 -1.688 3.547 -10.506 1.00 0.00 O ATOM 537 CB ALA A 32 -3.460 3.956 -7.796 1.00 0.00 C ATOM 0 H ALA A 32 -2.079 5.690 -6.760 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.460 3.262 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.876 3.123 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.503 3.728 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.040 4.857 -7.998 1.00 0.00 H new ATOM 543 N ARG A 33 -1.947 5.746 -10.045 1.00 0.00 N ATOM 544 CA ARG A 33 -1.832 6.164 -11.432 1.00 0.00 C ATOM 545 C ARG A 33 -0.359 6.298 -11.825 1.00 0.00 C ATOM 546 O ARG A 33 -0.027 6.306 -13.009 1.00 0.00 O ATOM 547 CB ARG A 33 -2.538 7.501 -11.665 1.00 0.00 C ATOM 548 CG ARG A 33 -3.838 7.305 -12.447 1.00 0.00 C ATOM 549 CD ARG A 33 -3.567 7.230 -13.951 1.00 0.00 C ATOM 550 NE ARG A 33 -4.206 8.375 -14.638 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.413 8.437 -15.961 1.00 0.00 C ATOM 552 NH1 ARG A 33 -4.033 7.420 -16.747 1.00 0.00 N ATOM 553 NH2 ARG A 33 -5.000 9.515 -16.497 1.00 0.00 N ATOM 0 H ARG A 33 -2.092 6.506 -9.381 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.309 5.402 -12.049 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.753 7.974 -10.707 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.878 8.174 -12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.331 6.391 -12.117 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.520 8.129 -12.237 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.493 7.238 -14.136 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.953 6.293 -14.352 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.508 9.166 -14.069 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.586 6.599 -16.338 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.190 7.467 -17.754 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.289 10.289 -15.899 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.158 9.562 -17.504 1.00 0.00 H new ATOM 567 N GLY A 34 0.485 6.400 -10.809 1.00 0.00 N ATOM 568 CA GLY A 34 1.914 6.533 -11.033 1.00 0.00 C ATOM 569 C GLY A 34 2.386 7.957 -10.733 1.00 0.00 C ATOM 570 O GLY A 34 3.329 8.446 -11.354 1.00 0.00 O ATOM 0 H GLY A 34 0.206 6.393 -9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.452 5.827 -10.401 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.149 6.278 -12.066 1.00 0.00 H new ATOM 574 N GLU A 35 1.708 8.583 -9.782 1.00 0.00 N ATOM 575 CA GLU A 35 2.047 9.941 -9.392 1.00 0.00 C ATOM 576 C GLU A 35 2.350 10.003 -7.894 1.00 0.00 C ATOM 577 O GLU A 35 1.541 9.571 -7.074 1.00 0.00 O ATOM 578 CB GLU A 35 0.926 10.914 -9.765 1.00 0.00 C ATOM 579 CG GLU A 35 0.912 11.182 -11.271 1.00 0.00 C ATOM 580 CD GLU A 35 -0.500 11.520 -11.755 1.00 0.00 C ATOM 581 OE1 GLU A 35 -1.259 10.559 -12.005 1.00 0.00 O ATOM 582 OE2 GLU A 35 -0.788 12.732 -11.863 1.00 0.00 O ATOM 0 H GLU A 35 0.926 8.175 -9.270 1.00 0.00 H new ATOM 0 HA GLU A 35 2.942 10.242 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.035 10.503 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.059 11.852 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.587 12.006 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.283 10.306 -11.803 1.00 0.00 H new ATOM 589 N ALA A 36 3.519 10.545 -7.581 1.00 0.00 N ATOM 590 CA ALA A 36 3.939 10.669 -6.196 1.00 0.00 C ATOM 591 C ALA A 36 5.269 11.424 -6.137 1.00 0.00 C ATOM 592 O ALA A 36 6.300 10.907 -6.566 1.00 0.00 O ATOM 593 CB ALA A 36 4.029 9.279 -5.563 1.00 0.00 C ATOM 0 H ALA A 36 4.188 10.903 -8.263 1.00 0.00 H new ATOM 0 HA ALA A 36 3.209 11.241 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.344 9.372 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.052 8.797 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.755 8.677 -6.110 1.00 0.00 H new ATOM 599 N ARG A 37 5.203 12.634 -5.603 1.00 0.00 N ATOM 600 CA ARG A 37 6.389 13.465 -5.483 1.00 0.00 C ATOM 601 C ARG A 37 7.588 12.619 -5.049 1.00 0.00 C ATOM 602 O ARG A 37 7.419 11.522 -4.519 1.00 0.00 O ATOM 603 CB ARG A 37 6.173 14.589 -4.467 1.00 0.00 C ATOM 604 CG ARG A 37 6.546 15.947 -5.066 1.00 0.00 C ATOM 605 CD ARG A 37 5.359 16.911 -5.018 1.00 0.00 C ATOM 606 NE ARG A 37 5.384 17.683 -3.756 1.00 0.00 N ATOM 607 CZ ARG A 37 4.333 18.353 -3.263 1.00 0.00 C ATOM 608 NH1 ARG A 37 3.168 18.350 -3.924 1.00 0.00 N ATOM 609 NH2 ARG A 37 4.448 19.027 -2.110 1.00 0.00 N ATOM 0 H ARG A 37 4.347 13.059 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 37 6.585 13.906 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.131 14.602 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.775 14.402 -3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.387 16.372 -4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.872 15.816 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.397 17.590 -5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.425 16.355 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 37 6.256 17.707 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.081 17.838 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.368 18.860 -3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.336 19.030 -1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.648 19.537 -1.735 1.00 0.00 H new ATOM 623 N GLU A 38 8.772 13.161 -5.291 1.00 0.00 N ATOM 624 CA GLU A 38 9.999 12.469 -4.932 1.00 0.00 C ATOM 625 C GLU A 38 10.295 12.652 -3.443 1.00 0.00 C ATOM 626 O GLU A 38 11.257 12.088 -2.923 1.00 0.00 O ATOM 627 CB GLU A 38 11.171 12.953 -5.788 1.00 0.00 C ATOM 628 CG GLU A 38 10.846 12.840 -7.279 1.00 0.00 C ATOM 629 CD GLU A 38 11.261 11.474 -7.829 1.00 0.00 C ATOM 630 OE1 GLU A 38 12.478 11.296 -8.047 1.00 0.00 O ATOM 631 OE2 GLU A 38 10.350 10.638 -8.018 1.00 0.00 O ATOM 0 H GLU A 38 8.908 14.071 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 38 9.864 11.405 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.403 13.989 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.060 12.364 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.777 12.989 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.361 13.629 -7.828 1.00 0.00 H new ATOM 638 N ASP A 39 9.451 13.443 -2.797 1.00 0.00 N ATOM 639 CA ASP A 39 9.610 13.707 -1.377 1.00 0.00 C ATOM 640 C ASP A 39 8.290 13.422 -0.658 1.00 0.00 C ATOM 641 O ASP A 39 8.153 13.705 0.531 1.00 0.00 O ATOM 642 CB ASP A 39 9.979 15.171 -1.127 1.00 0.00 C ATOM 643 CG ASP A 39 10.809 15.423 0.133 1.00 0.00 C ATOM 644 OD1 ASP A 39 10.199 15.430 1.223 1.00 0.00 O ATOM 645 OD2 ASP A 39 12.037 15.603 -0.023 1.00 0.00 O ATOM 0 H ASP A 39 8.655 13.910 -3.231 1.00 0.00 H new ATOM 0 HA ASP A 39 10.407 13.065 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.533 15.543 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.061 15.755 -1.062 1.00 0.00 H new ATOM 650 N SER A 40 7.352 12.866 -1.410 1.00 0.00 N ATOM 651 CA SER A 40 6.047 12.540 -0.860 1.00 0.00 C ATOM 652 C SER A 40 6.017 11.076 -0.417 1.00 0.00 C ATOM 653 O SER A 40 7.043 10.398 -0.432 1.00 0.00 O ATOM 654 CB SER A 40 4.937 12.810 -1.877 1.00 0.00 C ATOM 655 OG SER A 40 4.321 14.079 -1.671 1.00 0.00 O ATOM 0 H SER A 40 7.470 12.633 -2.396 1.00 0.00 H new ATOM 0 HA SER A 40 5.872 13.179 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.350 12.767 -2.885 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.183 12.026 -1.808 1.00 0.00 H new ATOM 0 HG SER A 40 3.619 14.215 -2.341 1.00 0.00 H new ATOM 661 N ASP A 41 4.829 10.631 -0.035 1.00 0.00 N ATOM 662 CA ASP A 41 4.652 9.259 0.411 1.00 0.00 C ATOM 663 C ASP A 41 3.796 8.503 -0.607 1.00 0.00 C ATOM 664 O ASP A 41 3.183 9.113 -1.482 1.00 0.00 O ATOM 665 CB ASP A 41 3.936 9.207 1.762 1.00 0.00 C ATOM 666 CG ASP A 41 2.697 10.099 1.872 1.00 0.00 C ATOM 667 OD1 ASP A 41 2.876 11.332 1.775 1.00 0.00 O ATOM 668 OD2 ASP A 41 1.600 9.527 2.050 1.00 0.00 O ATOM 0 H ASP A 41 3.980 11.196 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 41 5.639 8.806 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.642 8.176 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.642 9.493 2.542 1.00 0.00 H new ATOM 673 N LEU A 42 3.783 7.187 -0.460 1.00 0.00 N ATOM 674 CA LEU A 42 3.012 6.341 -1.356 1.00 0.00 C ATOM 675 C LEU A 42 1.801 5.782 -0.607 1.00 0.00 C ATOM 676 O LEU A 42 1.954 5.062 0.378 1.00 0.00 O ATOM 677 CB LEU A 42 3.904 5.263 -1.974 1.00 0.00 C ATOM 678 CG LEU A 42 3.179 4.073 -2.605 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.873 2.999 -1.558 1.00 0.00 C ATOM 680 CD2 LEU A 42 1.919 4.528 -3.344 1.00 0.00 C ATOM 0 H LEU A 42 4.294 6.685 0.266 1.00 0.00 H new ATOM 0 HA LEU A 42 2.628 6.923 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.528 5.729 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.574 4.887 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 42 3.841 3.623 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.357 2.164 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.805 2.646 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.239 3.421 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.422 3.663 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.243 5.017 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.193 5.228 -4.133 1.00 0.00 H new ATOM 692 N ASP A 43 0.624 6.136 -1.103 1.00 0.00 N ATOM 693 CA ASP A 43 -0.613 5.679 -0.493 1.00 0.00 C ATOM 694 C ASP A 43 -0.954 4.286 -1.025 1.00 0.00 C ATOM 695 O ASP A 43 -1.082 4.093 -2.233 1.00 0.00 O ATOM 696 CB ASP A 43 -1.775 6.614 -0.836 1.00 0.00 C ATOM 697 CG ASP A 43 -1.625 8.047 -0.323 1.00 0.00 C ATOM 698 OD1 ASP A 43 -0.478 8.544 -0.352 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.660 8.615 0.087 1.00 0.00 O ATOM 0 H ASP A 43 0.501 6.734 -1.920 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.470 5.663 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.891 6.642 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.694 6.192 -0.428 1.00 0.00 H new ATOM 704 N LEU A 44 -1.092 3.351 -0.096 1.00 0.00 N ATOM 705 CA LEU A 44 -1.416 1.981 -0.456 1.00 0.00 C ATOM 706 C LEU A 44 -2.549 1.476 0.440 1.00 0.00 C ATOM 707 O LEU A 44 -2.444 1.524 1.665 1.00 0.00 O ATOM 708 CB LEU A 44 -0.162 1.105 -0.415 1.00 0.00 C ATOM 709 CG LEU A 44 0.028 0.149 -1.595 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.322 0.920 -2.883 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.108 -0.890 -1.289 1.00 0.00 C ATOM 0 H LEU A 44 -0.985 3.515 0.905 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.777 1.933 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.710 1.756 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.183 0.518 0.503 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.905 -0.393 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.453 0.217 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.510 1.588 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.233 1.505 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.224 -1.557 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.054 -0.385 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.817 -1.470 -0.413 1.00 0.00 H new ATOM 723 N LEU A 45 -3.606 1.004 -0.205 1.00 0.00 N ATOM 724 CA LEU A 45 -4.756 0.492 0.519 1.00 0.00 C ATOM 725 C LEU A 45 -4.642 -1.029 0.639 1.00 0.00 C ATOM 726 O LEU A 45 -4.648 -1.737 -0.367 1.00 0.00 O ATOM 727 CB LEU A 45 -6.056 0.961 -0.139 1.00 0.00 C ATOM 728 CG LEU A 45 -7.334 0.258 0.325 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.413 0.216 1.852 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.572 0.908 -0.296 1.00 0.00 C ATOM 0 H LEU A 45 -3.690 0.966 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.776 0.892 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.167 2.030 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.963 0.828 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.303 -0.774 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.330 -0.289 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.553 -0.326 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.412 1.233 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.467 0.390 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.621 1.955 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.511 0.842 -1.382 1.00 0.00 H new ATOM 742 N VAL A 46 -4.541 -1.487 1.878 1.00 0.00 N ATOM 743 CA VAL A 46 -4.425 -2.911 2.142 1.00 0.00 C ATOM 744 C VAL A 46 -5.351 -3.288 3.301 1.00 0.00 C ATOM 745 O VAL A 46 -5.704 -2.439 4.119 1.00 0.00 O ATOM 746 CB VAL A 46 -2.963 -3.278 2.403 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.212 -3.505 1.089 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.272 -2.209 3.251 1.00 0.00 C ATOM 0 H VAL A 46 -4.537 -0.897 2.710 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.741 -3.487 1.272 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.947 -4.212 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.175 -3.764 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.683 -4.318 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.242 -2.594 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.234 -2.495 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.304 -1.253 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.785 -2.116 4.208 1.00 0.00 H new ATOM 758 N ALA A 47 -5.719 -4.560 3.333 1.00 0.00 N ATOM 759 CA ALA A 47 -6.597 -5.059 4.378 1.00 0.00 C ATOM 760 C ALA A 47 -5.920 -6.232 5.090 1.00 0.00 C ATOM 761 O ALA A 47 -5.565 -7.225 4.458 1.00 0.00 O ATOM 762 CB ALA A 47 -7.946 -5.447 3.769 1.00 0.00 C ATOM 0 H ALA A 47 -5.425 -5.260 2.652 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.786 -4.286 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.605 -5.821 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.399 -4.573 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.797 -6.224 3.019 1.00 0.00 H new ATOM 768 N PHE A 48 -5.762 -6.077 6.397 1.00 0.00 N ATOM 769 CA PHE A 48 -5.134 -7.111 7.202 1.00 0.00 C ATOM 770 C PHE A 48 -6.180 -8.060 7.789 1.00 0.00 C ATOM 771 O PHE A 48 -7.091 -7.627 8.493 1.00 0.00 O ATOM 772 CB PHE A 48 -4.404 -6.405 8.346 1.00 0.00 C ATOM 773 CG PHE A 48 -3.214 -5.556 7.895 1.00 0.00 C ATOM 774 CD1 PHE A 48 -1.977 -6.113 7.802 1.00 0.00 C ATOM 775 CD2 PHE A 48 -3.393 -4.243 7.587 1.00 0.00 C ATOM 776 CE1 PHE A 48 -0.872 -5.325 7.383 1.00 0.00 C ATOM 777 CE2 PHE A 48 -2.288 -3.455 7.168 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.051 -4.013 7.075 1.00 0.00 C ATOM 0 H PHE A 48 -6.058 -5.251 6.918 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.454 -7.700 6.587 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.112 -5.768 8.876 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.054 -7.154 9.057 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.835 -7.155 8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.375 -3.800 7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.110 -5.768 7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.430 -2.413 6.923 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.211 -3.414 6.756 1.00 0.00 H new ATOM 788 N GLU A 49 -6.015 -9.337 7.478 1.00 0.00 N ATOM 789 CA GLU A 49 -6.934 -10.351 7.966 1.00 0.00 C ATOM 790 C GLU A 49 -6.918 -10.390 9.495 1.00 0.00 C ATOM 791 O GLU A 49 -6.305 -9.538 10.135 1.00 0.00 O ATOM 792 CB GLU A 49 -6.599 -11.724 7.378 1.00 0.00 C ATOM 793 CG GLU A 49 -5.129 -12.078 7.617 1.00 0.00 C ATOM 794 CD GLU A 49 -4.866 -13.555 7.318 1.00 0.00 C ATOM 795 OE1 GLU A 49 -5.280 -14.386 8.155 1.00 0.00 O ATOM 796 OE2 GLU A 49 -4.257 -13.820 6.259 1.00 0.00 O ATOM 0 H GLU A 49 -5.258 -9.693 6.894 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.940 -10.089 7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.238 -12.483 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.808 -11.727 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.494 -11.457 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.862 -11.859 8.651 1.00 0.00 H new ATOM 803 N GLU A 50 -7.600 -11.389 10.037 1.00 0.00 N ATOM 804 CA GLU A 50 -7.672 -11.550 11.479 1.00 0.00 C ATOM 805 C GLU A 50 -6.405 -12.232 12.001 1.00 0.00 C ATOM 806 O GLU A 50 -5.784 -13.022 11.291 1.00 0.00 O ATOM 807 CB GLU A 50 -8.922 -12.335 11.881 1.00 0.00 C ATOM 808 CG GLU A 50 -10.194 -11.568 11.513 1.00 0.00 C ATOM 809 CD GLU A 50 -10.968 -11.155 12.766 1.00 0.00 C ATOM 810 OE1 GLU A 50 -11.047 -11.997 13.687 1.00 0.00 O ATOM 811 OE2 GLU A 50 -11.463 -10.007 12.775 1.00 0.00 O ATOM 0 H GLU A 50 -8.107 -12.095 9.503 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.742 -10.561 11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.922 -13.305 11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.906 -12.526 12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.934 -10.682 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.827 -12.189 10.879 1.00 0.00 H new ATOM 818 N GLY A 51 -6.060 -11.902 13.236 1.00 0.00 N ATOM 819 CA GLY A 51 -4.879 -12.472 13.861 1.00 0.00 C ATOM 820 C GLY A 51 -3.710 -11.485 13.827 1.00 0.00 C ATOM 821 O GLY A 51 -2.900 -11.444 14.752 1.00 0.00 O ATOM 0 H GLY A 51 -6.578 -11.247 13.821 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.103 -12.740 14.893 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.599 -13.391 13.347 1.00 0.00 H new ATOM 825 N ARG A 52 -3.658 -10.716 12.749 1.00 0.00 N ATOM 826 CA ARG A 52 -2.602 -9.732 12.582 1.00 0.00 C ATOM 827 C ARG A 52 -2.888 -8.495 13.436 1.00 0.00 C ATOM 828 O ARG A 52 -4.033 -8.246 13.810 1.00 0.00 O ATOM 829 CB ARG A 52 -2.467 -9.312 11.117 1.00 0.00 C ATOM 830 CG ARG A 52 -2.054 -10.498 10.242 1.00 0.00 C ATOM 831 CD ARG A 52 -0.764 -11.137 10.760 1.00 0.00 C ATOM 832 NE ARG A 52 -1.085 -12.289 11.633 1.00 0.00 N ATOM 833 CZ ARG A 52 -1.562 -13.459 11.187 1.00 0.00 C ATOM 834 NH1 ARG A 52 -1.778 -13.639 9.877 1.00 0.00 N ATOM 835 NH2 ARG A 52 -1.825 -14.448 12.051 1.00 0.00 N ATOM 0 H ARG A 52 -4.330 -10.755 11.983 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.667 -10.191 12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.415 -8.907 10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.727 -8.516 11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.852 -11.240 10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.912 -10.164 9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.149 -11.465 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.181 -10.401 11.314 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.934 -12.186 12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.579 -12.885 9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.141 -14.530 9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.662 -14.311 13.048 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.188 -15.339 11.712 1.00 0.00 H new ATOM 849 N THR A 53 -1.828 -7.753 13.719 1.00 0.00 N ATOM 850 CA THR A 53 -1.951 -6.548 14.522 1.00 0.00 C ATOM 851 C THR A 53 -1.126 -5.414 13.910 1.00 0.00 C ATOM 852 O THR A 53 -0.397 -5.623 12.942 1.00 0.00 O ATOM 853 CB THR A 53 -1.542 -6.892 15.956 1.00 0.00 C ATOM 854 OG1 THR A 53 -0.201 -7.359 15.832 1.00 0.00 O ATOM 855 CG2 THR A 53 -2.307 -8.095 16.511 1.00 0.00 C ATOM 0 H THR A 53 -0.880 -7.963 13.407 1.00 0.00 H new ATOM 0 HA THR A 53 -2.979 -6.187 14.540 1.00 0.00 H new ATOM 0 HB THR A 53 -1.711 -6.028 16.599 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.144 -7.603 16.716 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.979 -8.296 17.531 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.375 -7.879 16.510 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.113 -8.968 15.888 1.00 0.00 H new ATOM 863 N LEU A 54 -1.270 -4.236 14.500 1.00 0.00 N ATOM 864 CA LEU A 54 -0.548 -3.068 14.025 1.00 0.00 C ATOM 865 C LEU A 54 0.955 -3.348 14.073 1.00 0.00 C ATOM 866 O LEU A 54 1.715 -2.818 13.265 1.00 0.00 O ATOM 867 CB LEU A 54 -0.967 -1.823 14.811 1.00 0.00 C ATOM 868 CG LEU A 54 -1.718 -0.751 14.019 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.826 -0.147 12.933 1.00 0.00 C ATOM 870 CD2 LEU A 54 -3.023 -1.306 13.445 1.00 0.00 C ATOM 0 H LEU A 54 -1.876 -4.066 15.303 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.801 -2.861 12.985 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.595 -2.138 15.644 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.073 -1.370 15.240 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.984 0.055 14.703 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.384 0.612 12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.050 0.309 13.394 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.508 -0.931 12.246 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.537 -0.523 12.887 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.802 -2.141 12.780 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.661 -1.650 14.259 1.00 0.00 H new ATOM 882 N LEU A 55 1.339 -4.182 15.029 1.00 0.00 N ATOM 883 CA LEU A 55 2.738 -4.539 15.193 1.00 0.00 C ATOM 884 C LEU A 55 3.275 -5.095 13.873 1.00 0.00 C ATOM 885 O LEU A 55 4.374 -4.740 13.448 1.00 0.00 O ATOM 886 CB LEU A 55 2.912 -5.491 16.378 1.00 0.00 C ATOM 887 CG LEU A 55 3.960 -5.085 17.416 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.368 -5.126 16.818 1.00 0.00 C ATOM 889 CD2 LEU A 55 3.634 -3.718 18.020 1.00 0.00 C ATOM 0 H LEU A 55 0.706 -4.621 15.698 1.00 0.00 H new ATOM 0 HA LEU A 55 3.332 -3.657 15.433 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.951 -5.592 16.882 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.174 -6.476 15.992 1.00 0.00 H new ATOM 0 HG LEU A 55 3.934 -5.810 18.229 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.094 -4.833 17.576 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.589 -6.137 16.476 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.426 -4.437 15.975 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.395 -3.454 18.755 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.615 -2.967 17.231 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.659 -3.758 18.506 1.00 0.00 H new ATOM 901 N ASP A 56 2.477 -5.957 13.262 1.00 0.00 N ATOM 902 CA ASP A 56 2.859 -6.566 11.999 1.00 0.00 C ATOM 903 C ASP A 56 2.824 -5.506 10.896 1.00 0.00 C ATOM 904 O ASP A 56 3.664 -5.513 9.997 1.00 0.00 O ATOM 905 CB ASP A 56 1.889 -7.684 11.611 1.00 0.00 C ATOM 906 CG ASP A 56 1.939 -8.924 12.506 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.941 -9.663 12.395 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.975 -9.104 13.281 1.00 0.00 O ATOM 0 H ASP A 56 1.567 -6.249 13.618 1.00 0.00 H new ATOM 0 HA ASP A 56 3.860 -6.981 12.114 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.875 -7.285 11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.099 -7.986 10.585 1.00 0.00 H new ATOM 913 N HIS A 57 1.844 -4.620 11.001 1.00 0.00 N ATOM 914 CA HIS A 57 1.690 -3.557 10.023 1.00 0.00 C ATOM 915 C HIS A 57 2.929 -2.659 10.041 1.00 0.00 C ATOM 916 O HIS A 57 3.379 -2.197 8.994 1.00 0.00 O ATOM 917 CB HIS A 57 0.393 -2.781 10.265 1.00 0.00 C ATOM 918 CG HIS A 57 -0.835 -3.654 10.366 1.00 0.00 C ATOM 919 ND1 HIS A 57 -0.959 -5.008 10.480 1.00 0.00 N flip ATOM 920 CD2 HIS A 57 -2.121 -3.144 10.354 1.00 0.00 C flip ATOM 921 CE1 HIS A 57 -2.251 -5.308 10.536 1.00 0.00 C flip ATOM 922 NE2 HIS A 57 -2.973 -4.153 10.457 1.00 0.00 N flip ATOM 0 H HIS A 57 1.149 -4.617 11.748 1.00 0.00 H new ATOM 0 HA HIS A 57 1.609 -3.986 9.024 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.493 -2.204 11.185 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.253 -2.066 9.454 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.385 -2.100 10.274 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.663 -6.302 10.629 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.990 -4.079 10.474 1.00 0.00 H new ATOM 930 N ALA A 58 3.444 -2.440 11.242 1.00 0.00 N ATOM 931 CA ALA A 58 4.623 -1.607 11.409 1.00 0.00 C ATOM 932 C ALA A 58 5.818 -2.277 10.729 1.00 0.00 C ATOM 933 O ALA A 58 6.617 -1.612 10.072 1.00 0.00 O ATOM 934 CB ALA A 58 4.864 -1.358 12.899 1.00 0.00 C ATOM 0 H ALA A 58 3.067 -2.825 12.108 1.00 0.00 H new ATOM 0 HA ALA A 58 4.477 -0.636 10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.748 -0.733 13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.999 -0.853 13.328 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.017 -2.310 13.407 1.00 0.00 H new ATOM 940 N ARG A 59 5.902 -3.587 10.909 1.00 0.00 N ATOM 941 CA ARG A 59 6.986 -4.356 10.320 1.00 0.00 C ATOM 942 C ARG A 59 6.879 -4.340 8.794 1.00 0.00 C ATOM 943 O ARG A 59 7.892 -4.295 8.098 1.00 0.00 O ATOM 944 CB ARG A 59 6.964 -5.804 10.812 1.00 0.00 C ATOM 945 CG ARG A 59 7.949 -6.007 11.965 1.00 0.00 C ATOM 946 CD ARG A 59 8.625 -7.377 11.875 1.00 0.00 C ATOM 947 NE ARG A 59 8.556 -8.062 13.185 1.00 0.00 N ATOM 948 CZ ARG A 59 9.284 -7.712 14.254 1.00 0.00 C ATOM 949 NH1 ARG A 59 10.140 -6.685 14.175 1.00 0.00 N ATOM 950 NH2 ARG A 59 9.156 -8.391 15.403 1.00 0.00 N ATOM 0 H ARG A 59 5.237 -4.136 11.454 1.00 0.00 H new ATOM 0 HA ARG A 59 7.925 -3.895 10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.958 -6.065 11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.217 -6.475 9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.705 -5.222 11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.424 -5.918 12.916 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.137 -7.983 11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.665 -7.259 11.571 1.00 0.00 H new ATOM 0 HE ARG A 59 7.915 -8.849 13.280 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.238 -6.169 13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.694 -6.419 14.989 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.505 -9.174 15.463 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.710 -8.125 16.217 1.00 0.00 H new ATOM 964 N LEU A 60 5.643 -4.379 8.318 1.00 0.00 N ATOM 965 CA LEU A 60 5.391 -4.370 6.887 1.00 0.00 C ATOM 966 C LEU A 60 5.896 -3.054 6.293 1.00 0.00 C ATOM 967 O LEU A 60 6.560 -3.051 5.257 1.00 0.00 O ATOM 968 CB LEU A 60 3.914 -4.647 6.602 1.00 0.00 C ATOM 969 CG LEU A 60 3.619 -5.532 5.389 1.00 0.00 C ATOM 970 CD1 LEU A 60 2.231 -5.236 4.818 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.715 -5.393 4.330 1.00 0.00 C ATOM 0 H LEU A 60 4.805 -4.417 8.898 1.00 0.00 H new ATOM 0 HA LEU A 60 5.942 -5.173 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.476 -5.115 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.406 -3.693 6.463 1.00 0.00 H new ATOM 0 HG LEU A 60 3.617 -6.571 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.047 -5.879 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.476 -5.426 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.180 -4.192 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.481 -6.032 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.773 -4.356 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.673 -5.692 4.756 1.00 0.00 H new ATOM 983 N LYS A 61 5.563 -1.968 6.974 1.00 0.00 N ATOM 984 CA LYS A 61 5.975 -0.648 6.526 1.00 0.00 C ATOM 985 C LYS A 61 7.502 -0.595 6.446 1.00 0.00 C ATOM 986 O LYS A 61 8.058 -0.084 5.475 1.00 0.00 O ATOM 987 CB LYS A 61 5.368 0.435 7.421 1.00 0.00 C ATOM 988 CG LYS A 61 5.803 1.829 6.966 1.00 0.00 C ATOM 989 CD LYS A 61 7.249 2.114 7.378 1.00 0.00 C ATOM 990 CE LYS A 61 7.451 3.601 7.675 1.00 0.00 C ATOM 991 NZ LYS A 61 6.678 4.001 8.873 1.00 0.00 N ATOM 0 H LYS A 61 5.013 -1.975 7.833 1.00 0.00 H new ATOM 0 HA LYS A 61 5.596 -0.450 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.281 0.364 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.676 0.273 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.707 1.908 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.143 2.580 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.502 1.526 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.926 1.803 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.510 3.806 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.136 4.195 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.149 4.803 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.717 4.280 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.624 3.200 9.535 1.00 0.00 H new ATOM 1005 N LEU A 62 8.136 -1.130 7.479 1.00 0.00 N ATOM 1006 CA LEU A 62 9.587 -1.150 7.537 1.00 0.00 C ATOM 1007 C LEU A 62 10.126 -2.043 6.417 1.00 0.00 C ATOM 1008 O LEU A 62 11.175 -1.757 5.841 1.00 0.00 O ATOM 1009 CB LEU A 62 10.062 -1.560 8.933 1.00 0.00 C ATOM 1010 CG LEU A 62 10.862 -2.862 9.014 1.00 0.00 C ATOM 1011 CD1 LEU A 62 12.338 -2.619 8.695 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.673 -3.538 10.373 1.00 0.00 C ATOM 0 H LEU A 62 7.671 -1.553 8.282 1.00 0.00 H new ATOM 0 HA LEU A 62 9.989 -0.151 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.675 -0.755 9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.189 -1.652 9.580 1.00 0.00 H new ATOM 0 HG LEU A 62 10.478 -3.547 8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.884 -3.560 8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.431 -2.214 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.753 -1.909 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.252 -4.461 10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.014 -2.869 11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.618 -3.767 10.522 1.00 0.00 H new ATOM 1024 N ALA A 63 9.385 -3.106 6.143 1.00 0.00 N ATOM 1025 CA ALA A 63 9.775 -4.042 5.102 1.00 0.00 C ATOM 1026 C ALA A 63 9.581 -3.387 3.734 1.00 0.00 C ATOM 1027 O ALA A 63 10.386 -3.588 2.825 1.00 0.00 O ATOM 1028 CB ALA A 63 8.969 -5.334 5.250 1.00 0.00 C ATOM 0 H ALA A 63 8.516 -3.340 6.624 1.00 0.00 H new ATOM 0 HA ALA A 63 10.829 -4.303 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.261 -6.036 4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.165 -5.775 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.906 -5.112 5.159 1.00 0.00 H new ATOM 1034 N LEU A 64 8.508 -2.616 3.629 1.00 0.00 N ATOM 1035 CA LEU A 64 8.198 -1.930 2.386 1.00 0.00 C ATOM 1036 C LEU A 64 9.236 -0.833 2.141 1.00 0.00 C ATOM 1037 O LEU A 64 9.627 -0.587 1.001 1.00 0.00 O ATOM 1038 CB LEU A 64 6.756 -1.420 2.401 1.00 0.00 C ATOM 1039 CG LEU A 64 5.666 -2.491 2.469 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.453 -2.095 1.624 1.00 0.00 C ATOM 1041 CD2 LEU A 64 6.218 -3.861 2.071 1.00 0.00 C ATOM 0 H LEU A 64 7.843 -2.451 4.384 1.00 0.00 H new ATOM 0 HA LEU A 64 8.259 -2.620 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.636 -0.753 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.594 -0.822 1.505 1.00 0.00 H new ATOM 0 HG LEU A 64 5.327 -2.567 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.693 -2.874 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.043 -1.156 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.758 -1.973 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.423 -4.604 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.601 -3.817 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.024 -4.140 2.750 1.00 0.00 H new ATOM 1053 N GLU A 65 9.653 -0.204 3.230 1.00 0.00 N ATOM 1054 CA GLU A 65 10.638 0.861 3.148 1.00 0.00 C ATOM 1055 C GLU A 65 11.969 0.314 2.629 1.00 0.00 C ATOM 1056 O GLU A 65 12.734 1.036 1.991 1.00 0.00 O ATOM 1057 CB GLU A 65 10.818 1.547 4.504 1.00 0.00 C ATOM 1058 CG GLU A 65 9.805 2.679 4.685 1.00 0.00 C ATOM 1059 CD GLU A 65 10.041 3.421 6.002 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.372 2.732 6.990 1.00 0.00 O ATOM 1061 OE2 GLU A 65 9.886 4.662 5.990 1.00 0.00 O ATOM 0 H GLU A 65 9.327 -0.411 4.174 1.00 0.00 H new ATOM 0 HA GLU A 65 10.276 1.611 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.699 0.816 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.830 1.944 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.882 3.377 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.794 2.273 4.669 1.00 0.00 H new ATOM 1068 N GLY A 66 12.204 -0.956 2.921 1.00 0.00 N ATOM 1069 CA GLY A 66 13.430 -1.608 2.492 1.00 0.00 C ATOM 1070 C GLY A 66 13.411 -1.873 0.985 1.00 0.00 C ATOM 1071 O GLY A 66 14.357 -1.529 0.279 1.00 0.00 O ATOM 0 H GLY A 66 11.567 -1.552 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.286 -0.983 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.553 -2.549 3.029 1.00 0.00 H new ATOM 1075 N LEU A 67 12.323 -2.483 0.538 1.00 0.00 N ATOM 1076 CA LEU A 67 12.168 -2.798 -0.872 1.00 0.00 C ATOM 1077 C LEU A 67 12.069 -1.498 -1.673 1.00 0.00 C ATOM 1078 O LEU A 67 12.679 -1.370 -2.733 1.00 0.00 O ATOM 1079 CB LEU A 67 10.983 -3.743 -1.083 1.00 0.00 C ATOM 1080 CG LEU A 67 11.287 -5.237 -0.963 1.00 0.00 C ATOM 1081 CD1 LEU A 67 10.036 -6.021 -0.564 1.00 0.00 C ATOM 1082 CD2 LEU A 67 11.914 -5.775 -2.252 1.00 0.00 C ATOM 0 H LEU A 67 11.541 -2.767 1.127 1.00 0.00 H new ATOM 0 HA LEU A 67 13.042 -3.334 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.209 -3.491 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.566 -3.556 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 67 12.020 -5.373 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.280 -7.080 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.672 -5.660 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.263 -5.882 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.120 -6.839 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.224 -5.625 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.845 -5.244 -2.453 1.00 0.00 H new ATOM 1094 N LEU A 68 11.294 -0.567 -1.136 1.00 0.00 N ATOM 1095 CA LEU A 68 11.107 0.718 -1.787 1.00 0.00 C ATOM 1096 C LEU A 68 12.283 1.634 -1.445 1.00 0.00 C ATOM 1097 O LEU A 68 12.481 2.663 -2.090 1.00 0.00 O ATOM 1098 CB LEU A 68 9.742 1.308 -1.425 1.00 0.00 C ATOM 1099 CG LEU A 68 8.558 0.823 -2.264 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.241 0.995 -1.504 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.529 1.520 -3.626 1.00 0.00 C ATOM 0 H LEU A 68 10.788 -0.677 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 68 11.100 0.599 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.537 1.082 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.803 2.393 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 68 8.685 -0.243 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.415 0.643 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.275 0.416 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.093 2.048 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.678 1.157 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.437 2.597 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.451 1.303 -4.165 1.00 0.00 H new ATOM 1113 N GLY A 69 13.034 1.228 -0.432 1.00 0.00 N ATOM 1114 CA GLY A 69 14.185 2.000 0.003 1.00 0.00 C ATOM 1115 C GLY A 69 13.819 3.474 0.190 1.00 0.00 C ATOM 1116 O GLY A 69 14.696 4.336 0.222 1.00 0.00 O ATOM 0 H GLY A 69 12.868 0.374 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.566 1.595 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.986 1.911 -0.731 1.00 0.00 H new ATOM 1120 N VAL A 70 12.522 3.717 0.309 1.00 0.00 N ATOM 1121 CA VAL A 70 12.029 5.072 0.492 1.00 0.00 C ATOM 1122 C VAL A 70 10.778 5.040 1.372 1.00 0.00 C ATOM 1123 O VAL A 70 10.183 3.982 1.574 1.00 0.00 O ATOM 1124 CB VAL A 70 11.786 5.729 -0.869 1.00 0.00 C ATOM 1125 CG1 VAL A 70 13.033 5.639 -1.751 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.574 5.109 -1.568 1.00 0.00 C ATOM 0 H VAL A 70 11.798 2.999 0.282 1.00 0.00 H new ATOM 0 HA VAL A 70 12.772 5.683 1.005 1.00 0.00 H new ATOM 0 HB VAL A 70 11.571 6.784 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.834 6.113 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.863 6.148 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.292 4.592 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.423 5.594 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.747 4.044 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.687 5.248 -0.950 1.00 0.00 H new ATOM 1136 N ARG A 71 10.416 6.212 1.872 1.00 0.00 N ATOM 1137 CA ARG A 71 9.246 6.332 2.726 1.00 0.00 C ATOM 1138 C ARG A 71 8.038 5.660 2.070 1.00 0.00 C ATOM 1139 O ARG A 71 7.806 5.826 0.873 1.00 0.00 O ATOM 1140 CB ARG A 71 8.916 7.799 3.006 1.00 0.00 C ATOM 1141 CG ARG A 71 9.983 8.443 3.893 1.00 0.00 C ATOM 1142 CD ARG A 71 9.417 9.650 4.644 1.00 0.00 C ATOM 1143 NE ARG A 71 8.537 9.194 5.743 1.00 0.00 N ATOM 1144 CZ ARG A 71 8.005 10.008 6.665 1.00 0.00 C ATOM 1145 NH1 ARG A 71 8.260 11.323 6.626 1.00 0.00 N ATOM 1146 NH2 ARG A 71 7.217 9.507 7.626 1.00 0.00 N ATOM 0 H ARG A 71 10.912 7.087 1.702 1.00 0.00 H new ATOM 0 HA ARG A 71 9.473 5.836 3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.843 8.345 2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.943 7.870 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.359 7.710 4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.829 8.755 3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.231 10.254 5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.857 10.286 3.958 1.00 0.00 H new ATOM 0 HE ARG A 71 8.322 8.199 5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.859 11.705 5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.855 11.942 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.022 8.506 7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.812 10.126 8.328 1.00 0.00 H new ATOM 1160 N VAL A 72 7.302 4.916 2.881 1.00 0.00 N ATOM 1161 CA VAL A 72 6.124 4.218 2.394 1.00 0.00 C ATOM 1162 C VAL A 72 4.965 4.443 3.367 1.00 0.00 C ATOM 1163 O VAL A 72 5.160 4.443 4.582 1.00 0.00 O ATOM 1164 CB VAL A 72 6.444 2.738 2.178 1.00 0.00 C ATOM 1165 CG1 VAL A 72 5.437 2.093 1.223 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.876 2.555 1.670 1.00 0.00 C ATOM 0 H VAL A 72 7.498 4.781 3.873 1.00 0.00 H new ATOM 0 HA VAL A 72 5.818 4.615 1.426 1.00 0.00 H new ATOM 0 HB VAL A 72 6.363 2.234 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.687 1.041 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.434 2.176 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.472 2.602 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.078 1.494 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.996 3.080 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.576 2.961 2.401 1.00 0.00 H new ATOM 1176 N ASP A 73 3.783 4.630 2.797 1.00 0.00 N ATOM 1177 CA ASP A 73 2.593 4.855 3.599 1.00 0.00 C ATOM 1178 C ASP A 73 1.551 3.784 3.270 1.00 0.00 C ATOM 1179 O ASP A 73 1.039 3.735 2.152 1.00 0.00 O ATOM 1180 CB ASP A 73 1.977 6.223 3.298 1.00 0.00 C ATOM 1181 CG ASP A 73 0.550 6.418 3.816 1.00 0.00 C ATOM 1182 OD1 ASP A 73 0.424 6.876 4.971 1.00 0.00 O ATOM 1183 OD2 ASP A 73 -0.382 6.103 3.044 1.00 0.00 O ATOM 0 H ASP A 73 3.625 4.630 1.789 1.00 0.00 H new ATOM 0 HA ASP A 73 2.881 4.812 4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.613 6.995 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.980 6.377 2.219 1.00 0.00 H new ATOM 1188 N ILE A 74 1.268 2.954 4.262 1.00 0.00 N ATOM 1189 CA ILE A 74 0.296 1.887 4.092 1.00 0.00 C ATOM 1190 C ILE A 74 -1.017 2.287 4.766 1.00 0.00 C ATOM 1191 O ILE A 74 -1.011 2.909 5.827 1.00 0.00 O ATOM 1192 CB ILE A 74 0.866 0.559 4.594 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.188 0.230 3.898 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.158 -0.569 4.442 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.785 -1.070 4.440 1.00 0.00 C ATOM 0 H ILE A 74 1.695 2.998 5.187 1.00 0.00 H new ATOM 0 HA ILE A 74 0.078 1.735 3.035 1.00 0.00 H new ATOM 0 HB ILE A 74 1.080 0.660 5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.025 0.139 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.894 1.047 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.272 -1.502 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.050 -0.331 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.425 -0.678 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.724 -1.280 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.970 -0.968 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.087 -1.890 4.269 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.114 1.914 4.122 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.432 2.226 4.646 1.00 0.00 C ATOM 1209 C VAL A 75 -4.172 0.925 4.963 1.00 0.00 C ATOM 1210 O VAL A 75 -4.018 -0.069 4.255 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.189 3.119 3.660 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.701 2.927 3.796 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.805 4.588 3.845 1.00 0.00 C ATOM 0 H VAL A 75 -2.116 1.398 3.242 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.350 2.788 5.576 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.903 2.822 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.215 3.573 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.956 1.887 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.011 3.184 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.357 5.201 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.049 4.903 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.735 4.709 3.675 1.00 0.00 H new ATOM 1223 N SER A 76 -4.959 0.973 6.028 1.00 0.00 N ATOM 1224 CA SER A 76 -5.722 -0.190 6.447 1.00 0.00 C ATOM 1225 C SER A 76 -7.220 0.090 6.310 1.00 0.00 C ATOM 1226 O SER A 76 -7.740 1.020 6.926 1.00 0.00 O ATOM 1227 CB SER A 76 -5.385 -0.580 7.887 1.00 0.00 C ATOM 1228 OG SER A 76 -6.111 0.198 8.835 1.00 0.00 O ATOM 0 H SER A 76 -5.085 1.799 6.613 1.00 0.00 H new ATOM 0 HA SER A 76 -5.454 -1.026 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.608 -1.636 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.316 -0.453 8.056 1.00 0.00 H new ATOM 0 HG SER A 76 -5.869 -0.082 9.742 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.872 -0.730 5.499 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.299 -0.582 5.274 1.00 0.00 C ATOM 1236 C GLU A 77 -10.005 -0.193 6.575 1.00 0.00 C ATOM 1237 O GLU A 77 -11.024 0.495 6.550 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.898 -1.863 4.688 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.853 -1.840 3.159 1.00 0.00 C ATOM 1240 CD GLU A 77 -11.232 -2.135 2.566 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.848 -3.121 3.024 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -11.639 -1.367 1.667 1.00 0.00 O ATOM 0 H GLU A 77 -7.438 -1.499 4.990 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.451 0.217 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.348 -2.728 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.929 -1.973 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.507 -0.865 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.134 -2.577 2.802 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.434 -0.649 7.680 1.00 0.00 N ATOM 1250 CA ARG A 78 -9.995 -0.357 8.988 1.00 0.00 C ATOM 1251 C ARG A 78 -10.044 1.155 9.218 1.00 0.00 C ATOM 1252 O ARG A 78 -11.089 1.698 9.572 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.170 -1.009 10.099 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.077 -1.674 11.136 1.00 0.00 C ATOM 1255 CD ARG A 78 -9.549 -1.445 12.554 1.00 0.00 C ATOM 1256 NE ARG A 78 -10.376 -0.432 13.245 1.00 0.00 N ATOM 1257 CZ ARG A 78 -10.145 0.005 14.491 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -9.109 -0.480 15.189 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -10.949 0.927 15.038 1.00 0.00 N ATOM 0 H ARG A 78 -8.588 -1.219 7.696 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.005 -0.765 9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.497 -1.751 9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.547 -0.257 10.584 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.087 -1.273 11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.141 -2.744 10.936 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.565 -2.381 13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.511 -1.114 12.515 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.172 -0.041 12.742 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.497 -1.181 14.772 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.933 -0.148 16.137 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.737 1.296 14.506 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.773 1.259 15.986 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.901 1.791 9.008 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.801 3.229 9.189 1.00 0.00 C ATOM 1275 C GLY A 79 -9.651 3.972 8.156 1.00 0.00 C ATOM 1276 O GLY A 79 -10.276 4.983 8.473 1.00 0.00 O ATOM 0 H GLY A 79 -8.036 1.337 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.128 3.496 10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.760 3.539 9.099 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.647 3.442 6.942 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.410 4.042 5.861 1.00 0.00 C ATOM 1282 C LEU A 80 -11.876 4.161 6.282 1.00 0.00 C ATOM 1283 O LEU A 80 -12.437 3.231 6.860 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.205 3.260 4.562 1.00 0.00 C ATOM 1285 CG LEU A 80 -8.905 3.543 3.807 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.175 3.789 2.322 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -8.139 4.701 4.450 1.00 0.00 C ATOM 0 H LEU A 80 -9.127 2.603 6.683 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.053 5.052 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.244 2.195 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.042 3.473 3.897 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.271 2.659 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.234 3.988 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.646 2.908 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.837 4.647 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.219 4.882 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.756 5.599 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.896 4.448 5.482 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.455 5.312 5.976 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.845 5.565 6.316 1.00 0.00 C ATOM 1301 C ALA A 81 -14.747 4.701 5.431 1.00 0.00 C ATOM 1302 O ALA A 81 -14.294 4.148 4.431 1.00 0.00 O ATOM 1303 CB ALA A 81 -14.144 7.058 6.170 1.00 0.00 C ATOM 0 H ALA A 81 -11.987 6.081 5.496 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.041 5.294 7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.187 7.247 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.498 7.626 6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.961 7.367 5.141 1.00 0.00 H new ATOM 1309 N PRO A 82 -16.040 4.611 5.843 1.00 0.00 N ATOM 1310 CA PRO A 82 -17.009 3.824 5.100 1.00 0.00 C ATOM 1311 C PRO A 82 -17.431 4.544 3.817 1.00 0.00 C ATOM 1312 O PRO A 82 -17.527 3.927 2.758 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.162 3.605 6.065 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.006 4.661 7.147 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.611 5.253 7.023 1.00 0.00 C ATOM 0 HA PRO A 82 -16.605 2.870 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.121 3.705 5.557 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.130 2.602 6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.762 5.438 7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.147 4.220 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.649 6.336 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.014 5.050 7.912 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.673 5.839 3.956 1.00 0.00 N ATOM 1324 CA ARG A 83 -18.083 6.650 2.822 1.00 0.00 C ATOM 1325 C ARG A 83 -16.876 6.978 1.940 1.00 0.00 C ATOM 1326 O ARG A 83 -17.027 7.235 0.746 1.00 0.00 O ATOM 1327 CB ARG A 83 -18.737 7.953 3.284 1.00 0.00 C ATOM 1328 CG ARG A 83 -17.828 8.708 4.256 1.00 0.00 C ATOM 1329 CD ARG A 83 -18.445 8.759 5.656 1.00 0.00 C ATOM 1330 NE ARG A 83 -17.385 8.967 6.668 1.00 0.00 N ATOM 1331 CZ ARG A 83 -17.617 9.361 7.928 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -18.872 9.592 8.338 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -16.594 9.524 8.778 1.00 0.00 N ATOM 0 H ARG A 83 -17.593 6.347 4.837 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.811 6.075 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.954 8.582 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -19.690 7.735 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.854 8.221 4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -17.661 9.721 3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -19.176 9.566 5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.979 7.831 5.861 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.418 8.800 6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -19.651 9.468 7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.048 9.892 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.639 9.348 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.770 9.824 9.737 1.00 0.00 H new ATOM 1347 N LEU A 84 -15.706 6.958 2.561 1.00 0.00 N ATOM 1348 CA LEU A 84 -14.475 7.250 1.848 1.00 0.00 C ATOM 1349 C LEU A 84 -13.993 5.986 1.133 1.00 0.00 C ATOM 1350 O LEU A 84 -13.457 6.059 0.028 1.00 0.00 O ATOM 1351 CB LEU A 84 -13.437 7.854 2.796 1.00 0.00 C ATOM 1352 CG LEU A 84 -13.100 9.329 2.569 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -13.892 10.225 3.524 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -11.593 9.571 2.674 1.00 0.00 C ATOM 0 H LEU A 84 -15.585 6.744 3.551 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.649 8.004 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.796 7.737 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -12.517 7.275 2.713 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.398 9.595 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.634 11.268 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -14.959 10.081 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.647 9.965 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.382 10.627 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.246 9.283 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.076 8.975 1.922 1.00 0.00 H new ATOM 1366 N ARG A 85 -14.200 4.856 1.793 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.793 3.577 1.235 1.00 0.00 C ATOM 1368 C ARG A 85 -14.361 3.410 -0.176 1.00 0.00 C ATOM 1369 O ARG A 85 -13.627 3.091 -1.110 1.00 0.00 O ATOM 1370 CB ARG A 85 -14.270 2.417 2.110 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.891 1.070 1.490 1.00 0.00 C ATOM 1372 CD ARG A 85 -15.029 0.058 1.641 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.900 -0.660 2.928 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.740 -1.619 3.340 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.775 -1.981 2.569 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -15.546 -2.217 4.524 1.00 0.00 N ATOM 0 H ARG A 85 -14.644 4.799 2.709 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.704 3.563 1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.829 2.501 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.351 2.472 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.657 1.205 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.991 0.685 1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.990 0.570 1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.007 -0.653 0.815 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.123 -0.409 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.923 -1.526 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.414 -2.711 2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.759 -1.942 5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.186 -2.947 4.837 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.662 3.632 -0.286 1.00 0.00 N ATOM 1391 CA GLU A 86 -16.337 3.510 -1.567 1.00 0.00 C ATOM 1392 C GLU A 86 -15.644 4.382 -2.617 1.00 0.00 C ATOM 1393 O GLU A 86 -15.446 3.952 -3.753 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.818 3.872 -1.444 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.658 3.099 -2.463 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.885 2.471 -1.797 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.716 1.380 -1.211 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.963 3.096 -1.891 1.00 0.00 O ATOM 0 H GLU A 86 -16.267 3.896 0.491 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.277 2.470 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.168 3.650 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.948 4.943 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.976 3.770 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.051 2.320 -2.924 1.00 0.00 H new ATOM 1405 N GLN A 87 -15.295 5.590 -2.200 1.00 0.00 N ATOM 1406 CA GLN A 87 -14.629 6.525 -3.090 1.00 0.00 C ATOM 1407 C GLN A 87 -13.185 6.085 -3.339 1.00 0.00 C ATOM 1408 O GLN A 87 -12.668 6.238 -4.444 1.00 0.00 O ATOM 1409 CB GLN A 87 -14.680 7.947 -2.528 1.00 0.00 C ATOM 1410 CG GLN A 87 -15.944 8.675 -2.989 1.00 0.00 C ATOM 1411 CD GLN A 87 -15.706 10.184 -3.081 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.652 10.694 -2.739 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -16.742 10.867 -3.559 1.00 0.00 N ATOM 0 H GLN A 87 -15.461 5.943 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 87 -15.156 6.527 -4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.653 7.912 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.799 8.501 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.254 8.292 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.758 8.474 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.596 10.377 -3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.683 11.880 -3.658 1.00 0.00 H new ATOM 1422 N VAL A 88 -12.576 5.547 -2.293 1.00 0.00 N ATOM 1423 CA VAL A 88 -11.202 5.083 -2.385 1.00 0.00 C ATOM 1424 C VAL A 88 -11.127 3.912 -3.367 1.00 0.00 C ATOM 1425 O VAL A 88 -10.190 3.820 -4.159 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.675 4.729 -0.992 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -9.374 3.930 -1.085 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.486 5.987 -0.142 1.00 0.00 C ATOM 0 H VAL A 88 -13.008 5.422 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.558 5.873 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.419 4.101 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.021 3.691 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.553 3.007 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.620 4.522 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.111 5.708 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.771 6.650 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.442 6.500 -0.034 1.00 0.00 H new ATOM 1438 N LEU A 89 -12.127 3.047 -3.284 1.00 0.00 N ATOM 1439 CA LEU A 89 -12.187 1.886 -4.156 1.00 0.00 C ATOM 1440 C LEU A 89 -12.139 2.346 -5.614 1.00 0.00 C ATOM 1441 O LEU A 89 -11.400 1.786 -6.422 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.408 1.027 -3.821 1.00 0.00 C ATOM 1443 CG LEU A 89 -13.448 0.439 -2.409 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.890 0.267 -1.928 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -12.659 -0.869 -2.337 1.00 0.00 C ATOM 0 H LEU A 89 -12.902 3.127 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.321 1.244 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.303 1.631 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.457 0.206 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.965 1.143 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.890 -0.153 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.388 1.237 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.421 -0.406 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.704 -1.266 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.090 -1.593 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.620 -0.682 -2.608 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.937 3.363 -5.907 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.996 3.904 -7.254 1.00 0.00 C ATOM 1459 C ARG A 90 -11.591 4.267 -7.742 1.00 0.00 C ATOM 1460 O ARG A 90 -11.345 4.329 -8.945 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.884 5.149 -7.309 1.00 0.00 C ATOM 1462 CG ARG A 90 -15.316 4.783 -7.707 1.00 0.00 C ATOM 1463 CD ARG A 90 -16.333 5.545 -6.854 1.00 0.00 C ATOM 1464 NE ARG A 90 -17.254 6.306 -7.727 1.00 0.00 N ATOM 1465 CZ ARG A 90 -18.162 7.184 -7.277 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -18.274 7.417 -5.962 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -18.956 7.829 -8.142 1.00 0.00 N ATOM 0 H ARG A 90 -13.548 3.826 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.423 3.138 -7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.887 5.641 -6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.474 5.861 -8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.475 5.013 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.467 3.710 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.898 4.847 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.816 6.224 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.194 6.153 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.669 6.926 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.965 8.085 -5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.870 7.652 -9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.647 8.497 -7.800 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.707 4.496 -6.782 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.334 4.851 -7.099 1.00 0.00 C ATOM 1483 C GLU A 91 -8.412 3.650 -6.880 1.00 0.00 C ATOM 1484 O GLU A 91 -7.360 3.547 -7.510 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.874 6.053 -6.272 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.921 7.168 -6.295 1.00 0.00 C ATOM 1487 CD GLU A 91 -10.491 7.355 -7.702 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -9.673 7.573 -8.622 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -11.733 7.277 -7.827 1.00 0.00 O ATOM 0 H GLU A 91 -10.915 4.443 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.286 5.135 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.691 5.742 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.929 6.429 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.727 6.929 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.472 8.101 -5.954 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.839 2.771 -5.985 1.00 0.00 N ATOM 1497 CA ALA A 92 -8.065 1.581 -5.676 1.00 0.00 C ATOM 1498 C ALA A 92 -7.888 0.748 -6.947 1.00 0.00 C ATOM 1499 O ALA A 92 -8.867 0.366 -7.585 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.757 0.798 -4.558 1.00 0.00 C ATOM 0 H ALA A 92 -9.711 2.859 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.072 1.852 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.176 -0.095 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.832 1.423 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.756 0.507 -4.882 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.630 0.492 -7.277 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.312 -0.288 -8.461 1.00 0.00 C ATOM 1508 C ILE A 93 -5.510 -1.525 -8.051 1.00 0.00 C ATOM 1509 O ILE A 93 -4.698 -1.465 -7.129 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.608 0.583 -9.503 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.226 1.018 -9.011 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.478 1.778 -9.897 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.135 0.093 -9.554 1.00 0.00 C ATOM 0 H ILE A 93 -5.820 0.811 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.225 -0.643 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.456 -0.015 -10.402 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.029 2.043 -9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.205 1.011 -7.921 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.954 2.381 -10.639 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.418 1.421 -10.318 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.683 2.385 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.163 0.424 -9.189 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.321 -0.927 -9.216 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.143 0.122 -10.644 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.773 -2.646 -8.775 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.085 -3.895 -8.495 1.00 0.00 C ATOM 1527 C PRO A 94 -3.646 -3.856 -9.013 1.00 0.00 C ATOM 1528 O PRO A 94 -3.371 -3.252 -10.049 1.00 0.00 O ATOM 1529 CB PRO A 94 -5.928 -4.967 -9.166 1.00 0.00 C ATOM 1530 CG PRO A 94 -6.795 -4.241 -10.182 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.727 -2.754 -9.874 1.00 0.00 C ATOM 0 HA PRO A 94 -4.989 -4.092 -7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.298 -5.712 -9.652 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.541 -5.495 -8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.443 -4.438 -11.195 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.824 -4.595 -10.128 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.396 -2.185 -10.743 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.704 -2.363 -9.590 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.765 -4.508 -8.268 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.361 -4.556 -8.639 1.00 0.00 C ATOM 1541 C LEU A 95 -1.073 -5.872 -9.363 1.00 0.00 C ATOM 1542 O LEU A 95 -1.248 -5.968 -10.577 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.475 -4.322 -7.413 1.00 0.00 C ATOM 1544 CG LEU A 95 1.034 -4.399 -7.652 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.449 -5.803 -8.094 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.487 -3.328 -8.647 1.00 0.00 C ATOM 0 H LEU A 95 -2.997 -5.007 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.123 -3.751 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.708 -3.339 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.740 -5.056 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 95 1.539 -4.196 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.526 -5.830 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.181 -6.522 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.936 -6.059 -9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.564 -3.405 -8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.975 -3.475 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.246 -2.341 -8.254 1.00 0.00 H new TER 1558 LEU A 95