USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 617 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 23 TYR OH : rot -138:sc= 1.24 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 140:sc= 0.845 (180deg=-0.351) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.119 (180deg=-0.559) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.011) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 150:sc= 0.802 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 15 TYR OH : rot 30:sc= 1.07 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0457 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0676 USER MOD Single : A 21 ASN : amide:sc= 0.339! C(o=0.34!,f=-4.4!) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0313 F(o=-1.4!,f=-0.031) USER MOD Single : A 29 SER OG : rot 76:sc= 1.22 USER MOD Single : A 30 MET CE :methyl -110:sc= -2.66! (180deg=-5.82!) USER MOD Single : A 51 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.65) USER MOD Single : A 54 THR OG1 : rot 71:sc= 1.16 USER MOD Single : A 56 GLN :FLIP amide:sc= 0.999 F(o=-0.062,f=1) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 58 SER OG : rot -25:sc= 1.17 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.805 -10.437 -24.584 1.00 0.00 N ATOM 2 CA MET A 1 9.832 -9.011 -24.186 1.00 0.00 C ATOM 3 C MET A 1 8.735 -8.712 -23.175 1.00 0.00 C ATOM 4 O MET A 1 7.553 -8.686 -23.516 1.00 0.00 O ATOM 5 CB MET A 1 9.676 -8.094 -25.405 1.00 0.00 C ATOM 6 CG MET A 1 10.861 -8.131 -26.355 1.00 0.00 C ATOM 7 SD MET A 1 10.708 -6.959 -27.715 1.00 0.00 S ATOM 8 CE MET A 1 9.201 -7.533 -28.495 1.00 0.00 C ATOM 0 H1 MET A 1 10.593 -10.631 -25.235 1.00 0.00 H new ATOM 0 H2 MET A 1 9.899 -11.035 -23.739 1.00 0.00 H new ATOM 0 H3 MET A 1 8.904 -10.648 -25.059 1.00 0.00 H new ATOM 0 HA MET A 1 10.801 -8.817 -23.726 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.776 -8.379 -25.950 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.529 -7.070 -25.061 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.773 -7.916 -25.798 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.964 -9.138 -26.760 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.141 -7.134 -29.508 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.203 -8.622 -28.533 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.341 -7.192 -27.919 1.00 0.00 H new ATOM 17 N SER A 2 9.135 -8.512 -21.932 1.00 0.00 N ATOM 18 CA SER A 2 8.225 -8.122 -20.869 1.00 0.00 C ATOM 19 C SER A 2 8.935 -7.166 -19.912 1.00 0.00 C ATOM 20 O SER A 2 9.781 -7.576 -19.112 1.00 0.00 O ATOM 21 CB SER A 2 7.695 -9.360 -20.142 1.00 0.00 C ATOM 22 OG SER A 2 8.684 -10.377 -20.064 1.00 0.00 O ATOM 0 H SER A 2 10.104 -8.616 -21.630 1.00 0.00 H new ATOM 0 HA SER A 2 7.367 -7.602 -21.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.374 -9.085 -19.137 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.818 -9.743 -20.663 1.00 0.00 H new ATOM 0 HG SER A 2 8.317 -11.154 -19.593 1.00 0.00 H new ATOM 28 N ALA A 3 8.598 -5.889 -20.018 1.00 0.00 N ATOM 29 CA ALA A 3 9.315 -4.841 -19.308 1.00 0.00 C ATOM 30 C ALA A 3 8.870 -4.720 -17.855 1.00 0.00 C ATOM 31 O ALA A 3 8.093 -3.831 -17.499 1.00 0.00 O ATOM 32 CB ALA A 3 9.149 -3.510 -20.026 1.00 0.00 C ATOM 0 H ALA A 3 7.826 -5.552 -20.594 1.00 0.00 H new ATOM 0 HA ALA A 3 10.369 -5.117 -19.300 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.690 -2.734 -19.484 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.546 -3.590 -21.038 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.091 -3.250 -20.071 1.00 0.00 H new ATOM 38 N LEU A 4 9.336 -5.645 -17.035 1.00 0.00 N ATOM 39 CA LEU A 4 9.143 -5.577 -15.601 1.00 0.00 C ATOM 40 C LEU A 4 10.147 -6.485 -14.916 1.00 0.00 C ATOM 41 O LEU A 4 10.460 -7.564 -15.418 1.00 0.00 O ATOM 42 CB LEU A 4 7.713 -5.964 -15.194 1.00 0.00 C ATOM 43 CG LEU A 4 7.309 -7.430 -15.411 1.00 0.00 C ATOM 44 CD1 LEU A 4 6.084 -7.762 -14.576 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.019 -7.709 -16.878 1.00 0.00 C ATOM 0 H LEU A 4 9.859 -6.464 -17.346 1.00 0.00 H new ATOM 0 HA LEU A 4 9.299 -4.545 -15.286 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.584 -5.728 -14.138 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.018 -5.333 -15.749 1.00 0.00 H new ATOM 0 HG LEU A 4 8.144 -8.058 -15.100 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.805 -8.803 -14.737 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.309 -7.605 -13.521 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.257 -7.116 -14.870 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.736 -8.754 -17.000 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.203 -7.070 -17.215 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.910 -7.503 -17.471 1.00 0.00 H new ATOM 57 N GLN A 5 10.678 -6.037 -13.795 1.00 0.00 N ATOM 58 CA GLN A 5 11.592 -6.849 -13.012 1.00 0.00 C ATOM 59 C GLN A 5 11.278 -6.692 -11.533 1.00 0.00 C ATOM 60 O GLN A 5 11.768 -5.773 -10.875 1.00 0.00 O ATOM 61 CB GLN A 5 13.049 -6.474 -13.299 1.00 0.00 C ATOM 62 CG GLN A 5 14.058 -7.385 -12.611 1.00 0.00 C ATOM 63 CD GLN A 5 15.493 -7.023 -12.946 1.00 0.00 C ATOM 64 OE1 GLN A 5 16.118 -6.214 -12.256 1.00 0.00 O ATOM 65 NE2 GLN A 5 16.026 -7.619 -14.004 1.00 0.00 N ATOM 0 H GLN A 5 10.492 -5.113 -13.404 1.00 0.00 H new ATOM 0 HA GLN A 5 11.459 -7.893 -13.295 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.218 -6.505 -14.375 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.221 -5.447 -12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.915 -7.330 -11.532 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.869 -8.418 -12.905 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.474 -8.282 -14.548 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.988 -7.414 -14.274 1.00 0.00 H new ATOM 74 N PRO A 6 10.417 -7.570 -11.004 1.00 0.00 N ATOM 75 CA PRO A 6 9.984 -7.517 -9.610 1.00 0.00 C ATOM 76 C PRO A 6 11.120 -7.809 -8.642 1.00 0.00 C ATOM 77 O PRO A 6 11.806 -8.829 -8.758 1.00 0.00 O ATOM 78 CB PRO A 6 8.913 -8.611 -9.510 1.00 0.00 C ATOM 79 CG PRO A 6 8.558 -8.945 -10.919 1.00 0.00 C ATOM 80 CD PRO A 6 9.795 -8.686 -11.725 1.00 0.00 C ATOM 0 HA PRO A 6 9.620 -6.525 -9.344 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.293 -9.486 -8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.042 -8.259 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.245 -9.985 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.728 -8.331 -11.269 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.446 -9.559 -11.760 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.560 -8.422 -12.756 1.00 0.00 H new ATOM 88 N SER A 7 11.318 -6.912 -7.691 1.00 0.00 N ATOM 89 CA SER A 7 12.325 -7.110 -6.669 1.00 0.00 C ATOM 90 C SER A 7 11.786 -8.064 -5.606 1.00 0.00 C ATOM 91 O SER A 7 12.268 -9.186 -5.472 1.00 0.00 O ATOM 92 CB SER A 7 12.737 -5.768 -6.048 1.00 0.00 C ATOM 93 OG SER A 7 13.821 -5.923 -5.150 1.00 0.00 O ATOM 0 H SER A 7 10.794 -6.041 -7.607 1.00 0.00 H new ATOM 0 HA SER A 7 13.214 -7.550 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.015 -5.070 -6.838 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.887 -5.333 -5.522 1.00 0.00 H new ATOM 0 HG SER A 7 14.061 -5.051 -4.773 1.00 0.00 H new ATOM 99 N ARG A 8 10.766 -7.628 -4.872 1.00 0.00 N ATOM 100 CA ARG A 8 10.127 -8.468 -3.874 1.00 0.00 C ATOM 101 C ARG A 8 8.659 -8.113 -3.732 1.00 0.00 C ATOM 102 O ARG A 8 8.251 -6.986 -4.017 1.00 0.00 O ATOM 103 CB ARG A 8 10.838 -8.335 -2.526 1.00 0.00 C ATOM 104 CG ARG A 8 12.081 -9.196 -2.425 1.00 0.00 C ATOM 105 CD ARG A 8 12.889 -8.893 -1.180 1.00 0.00 C ATOM 106 NE ARG A 8 14.076 -9.741 -1.098 1.00 0.00 N ATOM 107 CZ ARG A 8 15.152 -9.452 -0.369 1.00 0.00 C ATOM 108 NH1 ARG A 8 15.207 -8.323 0.330 1.00 0.00 N ATOM 109 NH2 ARG A 8 16.183 -10.286 -0.348 1.00 0.00 N ATOM 0 H ARG A 8 10.366 -6.693 -4.953 1.00 0.00 H new ATOM 0 HA ARG A 8 10.200 -9.504 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.111 -7.292 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.147 -8.609 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.793 -10.247 -2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.702 -9.038 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.188 -7.845 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.270 -9.044 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 8 14.081 -10.609 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.422 -7.672 0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.034 -8.108 0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.152 -11.149 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.007 -10.064 0.211 1.00 0.00 H new ATOM 123 N SER A 9 7.871 -9.084 -3.311 1.00 0.00 N ATOM 124 CA SER A 9 6.448 -8.878 -3.119 1.00 0.00 C ATOM 125 C SER A 9 6.163 -8.550 -1.657 1.00 0.00 C ATOM 126 O SER A 9 6.708 -9.184 -0.747 1.00 0.00 O ATOM 127 CB SER A 9 5.683 -10.131 -3.542 1.00 0.00 C ATOM 128 OG SER A 9 6.236 -10.686 -4.728 1.00 0.00 O ATOM 0 H SER A 9 8.194 -10.027 -3.095 1.00 0.00 H new ATOM 0 HA SER A 9 6.119 -8.041 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.715 -10.869 -2.741 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.634 -9.884 -3.706 1.00 0.00 H new ATOM 0 HG SER A 9 6.102 -11.657 -4.728 1.00 0.00 H new ATOM 134 N TYR A 10 5.323 -7.554 -1.433 1.00 0.00 N ATOM 135 CA TYR A 10 5.008 -7.113 -0.088 1.00 0.00 C ATOM 136 C TYR A 10 3.547 -7.395 0.229 1.00 0.00 C ATOM 137 O TYR A 10 2.676 -7.248 -0.626 1.00 0.00 O ATOM 138 CB TYR A 10 5.287 -5.615 0.064 1.00 0.00 C ATOM 139 CG TYR A 10 6.660 -5.194 -0.420 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.790 -5.408 0.358 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.822 -4.582 -1.657 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.043 -5.025 -0.085 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.071 -4.196 -2.104 1.00 0.00 C ATOM 144 CZ TYR A 10 9.178 -4.421 -1.315 1.00 0.00 C ATOM 145 OH TYR A 10 10.426 -4.042 -1.757 1.00 0.00 O ATOM 0 H TYR A 10 4.846 -7.034 -2.170 1.00 0.00 H new ATOM 0 HA TYR A 10 5.639 -7.663 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.531 -5.057 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.183 -5.341 1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.689 -5.881 1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.957 -4.405 -2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.912 -5.199 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.179 -3.720 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 10 10.348 -3.632 -2.644 1.00 0.00 H new ATOM 155 N ARG A 11 3.291 -7.811 1.454 1.00 0.00 N ATOM 156 CA ARG A 11 1.942 -8.094 1.916 1.00 0.00 C ATOM 157 C ARG A 11 1.416 -6.893 2.682 1.00 0.00 C ATOM 158 O ARG A 11 2.176 -6.219 3.379 1.00 0.00 O ATOM 159 CB ARG A 11 1.938 -9.312 2.845 1.00 0.00 C ATOM 160 CG ARG A 11 2.828 -10.444 2.372 1.00 0.00 C ATOM 161 CD ARG A 11 3.026 -11.492 3.456 1.00 0.00 C ATOM 162 NE ARG A 11 1.828 -12.298 3.686 1.00 0.00 N ATOM 163 CZ ARG A 11 1.640 -13.067 4.758 1.00 0.00 C ATOM 164 NH1 ARG A 11 2.559 -13.121 5.717 1.00 0.00 N ATOM 165 NH2 ARG A 11 0.528 -13.778 4.873 1.00 0.00 N ATOM 0 H ARG A 11 4.012 -7.963 2.159 1.00 0.00 H new ATOM 0 HA ARG A 11 1.311 -8.302 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.259 -9.000 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.917 -9.681 2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.387 -10.910 1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.796 -10.044 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.851 -12.147 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.311 -10.999 4.385 1.00 0.00 H new ATOM 0 HE ARG A 11 1.090 -12.270 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.415 -12.572 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.409 -13.712 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.182 -13.736 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.382 -14.367 5.693 1.00 0.00 H new ATOM 179 N ILE A 12 0.130 -6.628 2.565 1.00 0.00 N ATOM 180 CA ILE A 12 -0.480 -5.538 3.304 1.00 0.00 C ATOM 181 C ILE A 12 -1.167 -6.098 4.536 1.00 0.00 C ATOM 182 O ILE A 12 -2.142 -6.842 4.417 1.00 0.00 O ATOM 183 CB ILE A 12 -1.529 -4.779 2.462 1.00 0.00 C ATOM 184 CG1 ILE A 12 -0.988 -4.482 1.059 1.00 0.00 C ATOM 185 CG2 ILE A 12 -1.935 -3.490 3.159 1.00 0.00 C ATOM 186 CD1 ILE A 12 -1.980 -3.780 0.151 1.00 0.00 C ATOM 0 H ILE A 12 -0.512 -7.150 1.968 1.00 0.00 H new ATOM 0 HA ILE A 12 0.311 -4.839 3.574 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.410 -5.412 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.094 -3.865 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.684 -5.419 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.675 -2.966 2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.363 -3.723 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.058 -2.856 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.522 -3.605 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.866 -4.404 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.266 -2.826 0.594 1.00 0.00 H new ATOM 198 N THR A 13 -0.666 -5.758 5.709 1.00 0.00 N ATOM 199 CA THR A 13 -1.197 -6.323 6.935 1.00 0.00 C ATOM 200 C THR A 13 -2.121 -5.356 7.667 1.00 0.00 C ATOM 201 O THR A 13 -2.713 -5.710 8.688 1.00 0.00 O ATOM 202 CB THR A 13 -0.064 -6.780 7.867 1.00 0.00 C ATOM 203 OG1 THR A 13 0.958 -5.775 7.940 1.00 0.00 O ATOM 204 CG2 THR A 13 0.536 -8.086 7.372 1.00 0.00 C ATOM 0 H THR A 13 0.102 -5.099 5.839 1.00 0.00 H new ATOM 0 HA THR A 13 -1.791 -7.190 6.647 1.00 0.00 H new ATOM 0 HB THR A 13 -0.481 -6.936 8.862 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.673 -6.078 8.538 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.337 -8.396 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.236 -8.855 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.938 -7.945 6.369 1.00 0.00 H new ATOM 212 N GLY A 14 -2.256 -4.141 7.150 1.00 0.00 N ATOM 213 CA GLY A 14 -3.189 -3.207 7.737 1.00 0.00 C ATOM 214 C GLY A 14 -2.891 -1.780 7.356 1.00 0.00 C ATOM 215 O GLY A 14 -2.177 -1.522 6.386 1.00 0.00 O ATOM 0 H GLY A 14 -1.740 -3.791 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.201 -3.461 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.161 -3.304 8.822 1.00 0.00 H new ATOM 219 N TYR A 15 -3.438 -0.855 8.124 1.00 0.00 N ATOM 220 CA TYR A 15 -3.235 0.561 7.882 1.00 0.00 C ATOM 221 C TYR A 15 -2.553 1.191 9.082 1.00 0.00 C ATOM 222 O TYR A 15 -2.635 0.669 10.195 1.00 0.00 O ATOM 223 CB TYR A 15 -4.569 1.277 7.648 1.00 0.00 C ATOM 224 CG TYR A 15 -5.418 0.694 6.543 1.00 0.00 C ATOM 225 CD1 TYR A 15 -5.272 1.116 5.230 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.382 -0.265 6.819 1.00 0.00 C ATOM 227 CE1 TYR A 15 -6.058 0.596 4.221 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.173 -0.789 5.816 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.008 -0.356 4.520 1.00 0.00 C ATOM 230 OH TYR A 15 -7.800 -0.870 3.521 1.00 0.00 O ATOM 0 H TYR A 15 -4.031 -1.062 8.927 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.614 0.664 6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.142 1.259 8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.368 2.323 7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.530 1.864 4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.516 -0.607 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.929 0.934 3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.918 -1.536 6.047 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.307 -0.859 2.674 1.00 0.00 H new ATOM 240 N SER A 16 -1.885 2.305 8.851 1.00 0.00 N ATOM 241 CA SER A 16 -1.360 3.116 9.937 1.00 0.00 C ATOM 242 C SER A 16 -2.533 3.696 10.729 1.00 0.00 C ATOM 243 O SER A 16 -3.515 4.147 10.136 1.00 0.00 O ATOM 244 CB SER A 16 -0.478 4.242 9.381 1.00 0.00 C ATOM 245 OG SER A 16 0.093 5.023 10.422 1.00 0.00 O ATOM 0 H SER A 16 -1.692 2.671 7.919 1.00 0.00 H new ATOM 0 HA SER A 16 -0.746 2.500 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.316 3.814 8.769 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.073 4.882 8.729 1.00 0.00 H new ATOM 0 HG SER A 16 0.650 5.730 10.033 1.00 0.00 H new ATOM 251 N PRO A 17 -2.454 3.693 12.069 1.00 0.00 N ATOM 252 CA PRO A 17 -3.551 4.155 12.934 1.00 0.00 C ATOM 253 C PRO A 17 -3.938 5.612 12.676 1.00 0.00 C ATOM 254 O PRO A 17 -5.009 6.064 13.085 1.00 0.00 O ATOM 255 CB PRO A 17 -2.993 3.987 14.354 1.00 0.00 C ATOM 256 CG PRO A 17 -1.515 3.904 14.182 1.00 0.00 C ATOM 257 CD PRO A 17 -1.293 3.245 12.854 1.00 0.00 C ATOM 0 HA PRO A 17 -4.465 3.590 12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.270 4.829 14.989 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.386 3.088 14.828 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.062 4.895 14.207 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.060 3.326 14.986 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.353 3.557 12.400 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.259 2.159 12.942 1.00 0.00 H new ATOM 265 N ALA A 18 -3.075 6.331 11.969 1.00 0.00 N ATOM 266 CA ALA A 18 -3.305 7.736 11.668 1.00 0.00 C ATOM 267 C ALA A 18 -4.303 7.914 10.525 1.00 0.00 C ATOM 268 O ALA A 18 -4.726 9.033 10.240 1.00 0.00 O ATOM 269 CB ALA A 18 -1.991 8.420 11.329 1.00 0.00 C ATOM 0 H ALA A 18 -2.203 5.959 11.591 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.734 8.200 12.556 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.175 9.471 11.105 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.311 8.343 12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.543 7.937 10.460 1.00 0.00 H new ATOM 275 N ILE A 19 -4.672 6.818 9.866 1.00 0.00 N ATOM 276 CA ILE A 19 -5.623 6.880 8.762 1.00 0.00 C ATOM 277 C ILE A 19 -6.987 7.375 9.255 1.00 0.00 C ATOM 278 O ILE A 19 -7.537 6.862 10.233 1.00 0.00 O ATOM 279 CB ILE A 19 -5.765 5.511 8.045 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.656 5.647 6.808 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.320 4.451 8.987 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.769 4.376 5.997 1.00 0.00 C ATOM 0 H ILE A 19 -4.328 5.881 10.077 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.234 7.591 8.033 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.772 5.192 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.653 5.957 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.261 6.439 6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.408 3.503 8.456 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.647 4.330 9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.303 4.760 9.344 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.416 4.549 5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.780 4.075 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.193 3.586 6.616 1.00 0.00 H new ATOM 294 N SER A 20 -7.530 8.377 8.580 1.00 0.00 N ATOM 295 CA SER A 20 -8.732 9.040 9.054 1.00 0.00 C ATOM 296 C SER A 20 -9.723 9.222 7.909 1.00 0.00 C ATOM 297 O SER A 20 -9.433 8.844 6.768 1.00 0.00 O ATOM 298 CB SER A 20 -8.360 10.396 9.674 1.00 0.00 C ATOM 299 OG SER A 20 -9.472 11.006 10.314 1.00 0.00 O ATOM 0 H SER A 20 -7.158 8.747 7.705 1.00 0.00 H new ATOM 0 HA SER A 20 -9.207 8.423 9.816 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.556 10.257 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.979 11.059 8.897 1.00 0.00 H new ATOM 0 HG SER A 20 -9.198 11.865 10.698 1.00 0.00 H new ATOM 305 N ASN A 21 -10.891 9.789 8.227 1.00 0.00 N ATOM 306 CA ASN A 21 -11.948 10.029 7.244 1.00 0.00 C ATOM 307 C ASN A 21 -12.362 8.700 6.599 1.00 0.00 C ATOM 308 O ASN A 21 -12.129 7.630 7.171 1.00 0.00 O ATOM 309 CB ASN A 21 -11.458 11.038 6.185 1.00 0.00 C ATOM 310 CG ASN A 21 -12.590 11.736 5.449 1.00 0.00 C ATOM 311 OD1 ASN A 21 -13.064 11.262 4.416 1.00 0.00 O ATOM 312 ND2 ASN A 21 -13.012 12.879 5.962 1.00 0.00 N ATOM 0 H ASN A 21 -11.128 10.093 9.171 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.821 10.456 7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.833 11.788 6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.830 10.518 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.756 13.402 5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.593 13.238 6.820 1.00 0.00 H new ATOM 319 N GLY A 22 -12.971 8.760 5.425 1.00 0.00 N ATOM 320 CA GLY A 22 -13.335 7.552 4.716 1.00 0.00 C ATOM 321 C GLY A 22 -12.270 7.142 3.721 1.00 0.00 C ATOM 322 O GLY A 22 -12.556 6.455 2.739 1.00 0.00 O ATOM 0 H GLY A 22 -13.220 9.627 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.495 6.745 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.279 7.707 4.194 1.00 0.00 H new ATOM 326 N TYR A 23 -11.031 7.551 3.985 1.00 0.00 N ATOM 327 CA TYR A 23 -9.922 7.272 3.082 1.00 0.00 C ATOM 328 C TYR A 23 -9.675 5.770 3.002 1.00 0.00 C ATOM 329 O TYR A 23 -9.285 5.247 1.961 1.00 0.00 O ATOM 330 CB TYR A 23 -8.649 7.989 3.545 1.00 0.00 C ATOM 331 CG TYR A 23 -7.662 8.244 2.425 1.00 0.00 C ATOM 332 CD1 TYR A 23 -8.060 8.912 1.275 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.339 7.829 2.517 1.00 0.00 C ATOM 334 CE1 TYR A 23 -7.172 9.156 0.248 1.00 0.00 C ATOM 335 CE2 TYR A 23 -5.441 8.070 1.492 1.00 0.00 C ATOM 336 CZ TYR A 23 -5.863 8.733 0.360 1.00 0.00 C ATOM 337 OH TYR A 23 -4.975 8.986 -0.664 1.00 0.00 O ATOM 0 H TYR A 23 -10.772 8.078 4.819 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.186 7.643 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.922 8.940 4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.165 7.391 4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.083 9.246 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.006 7.310 3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.500 9.676 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.416 7.741 1.579 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.421 8.193 -0.820 1.00 0.00 H new ATOM 347 N ARG A 24 -9.933 5.085 4.111 1.00 0.00 N ATOM 348 CA ARG A 24 -9.772 3.639 4.193 1.00 0.00 C ATOM 349 C ARG A 24 -10.648 2.947 3.160 1.00 0.00 C ATOM 350 O ARG A 24 -10.223 2.007 2.493 1.00 0.00 O ATOM 351 CB ARG A 24 -10.155 3.167 5.596 1.00 0.00 C ATOM 352 CG ARG A 24 -9.919 1.688 5.832 1.00 0.00 C ATOM 353 CD ARG A 24 -10.423 1.253 7.199 1.00 0.00 C ATOM 354 NE ARG A 24 -9.837 2.043 8.283 1.00 0.00 N ATOM 355 CZ ARG A 24 -9.268 1.518 9.368 1.00 0.00 C ATOM 356 NH1 ARG A 24 -9.138 0.203 9.494 1.00 0.00 N ATOM 357 NH2 ARG A 24 -8.813 2.313 10.321 1.00 0.00 N ATOM 0 H ARG A 24 -10.259 5.516 4.976 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.731 3.385 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.585 3.737 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.208 3.389 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.423 1.110 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.854 1.471 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.509 1.346 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.189 0.200 7.352 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.866 3.059 8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.475 -0.416 8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.701 -0.189 10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.898 3.325 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.377 1.915 11.153 1.00 0.00 H new ATOM 371 N GLN A 25 -11.868 3.438 3.026 1.00 0.00 N ATOM 372 CA GLN A 25 -12.821 2.882 2.091 1.00 0.00 C ATOM 373 C GLN A 25 -12.345 3.090 0.662 1.00 0.00 C ATOM 374 O GLN A 25 -12.475 2.207 -0.186 1.00 0.00 O ATOM 375 CB GLN A 25 -14.175 3.544 2.296 1.00 0.00 C ATOM 376 CG GLN A 25 -14.658 3.506 3.738 1.00 0.00 C ATOM 377 CD GLN A 25 -15.955 4.260 3.946 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.195 5.271 3.126 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -16.741 3.930 4.831 1.00 0.00 N flip ATOM 0 H GLN A 25 -12.222 4.231 3.562 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.913 1.810 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.116 4.582 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.911 3.051 1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.794 2.468 4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.890 3.930 4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.520 3.145 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.615 4.441 4.954 1.00 0.00 H new ATOM 388 N ARG A 26 -11.779 4.259 0.407 1.00 0.00 N ATOM 389 CA ARG A 26 -11.246 4.567 -0.907 1.00 0.00 C ATOM 390 C ARG A 26 -10.052 3.669 -1.208 1.00 0.00 C ATOM 391 O ARG A 26 -9.899 3.181 -2.328 1.00 0.00 O ATOM 392 CB ARG A 26 -10.838 6.038 -0.988 1.00 0.00 C ATOM 393 CG ARG A 26 -10.555 6.508 -2.405 1.00 0.00 C ATOM 394 CD ARG A 26 -10.116 7.963 -2.441 1.00 0.00 C ATOM 395 NE ARG A 26 -9.889 8.427 -3.807 1.00 0.00 N ATOM 396 CZ ARG A 26 -8.817 9.116 -4.199 1.00 0.00 C ATOM 397 NH1 ARG A 26 -7.899 9.490 -3.314 1.00 0.00 N ATOM 398 NH2 ARG A 26 -8.675 9.451 -5.475 1.00 0.00 N ATOM 0 H ARG A 26 -11.678 5.008 1.092 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.022 4.384 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.631 6.652 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.949 6.195 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.779 5.883 -2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.450 6.383 -3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.877 8.584 -1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.201 8.081 -1.860 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.598 8.210 -4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.012 9.250 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.081 10.017 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.386 9.181 -6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.855 9.978 -5.776 1.00 0.00 H new ATOM 412 N LEU A 27 -9.229 3.434 -0.196 1.00 0.00 N ATOM 413 CA LEU A 27 -8.055 2.579 -0.343 1.00 0.00 C ATOM 414 C LEU A 27 -8.477 1.140 -0.594 1.00 0.00 C ATOM 415 O LEU A 27 -7.938 0.468 -1.475 1.00 0.00 O ATOM 416 CB LEU A 27 -7.168 2.661 0.905 1.00 0.00 C ATOM 417 CG LEU A 27 -6.535 4.031 1.164 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.683 3.999 2.424 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.700 4.470 -0.033 1.00 0.00 C ATOM 0 H LEU A 27 -9.351 3.824 0.739 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.480 2.930 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.764 2.384 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.372 1.922 0.815 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.336 4.755 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.242 4.982 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.306 3.732 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.890 3.261 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.258 5.446 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.908 3.743 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.336 4.536 -0.916 1.00 0.00 H new ATOM 431 N PHE A 28 -9.460 0.688 0.174 1.00 0.00 N ATOM 432 CA PHE A 28 -10.021 -0.650 0.024 1.00 0.00 C ATOM 433 C PHE A 28 -10.548 -0.841 -1.391 1.00 0.00 C ATOM 434 O PHE A 28 -10.309 -1.866 -2.029 1.00 0.00 O ATOM 435 CB PHE A 28 -11.155 -0.849 1.029 1.00 0.00 C ATOM 436 CG PHE A 28 -11.577 -2.281 1.215 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.457 -2.883 0.330 1.00 0.00 C ATOM 438 CD2 PHE A 28 -11.097 -3.023 2.281 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.851 -4.199 0.507 1.00 0.00 C ATOM 440 CE2 PHE A 28 -11.485 -4.335 2.462 1.00 0.00 C ATOM 441 CZ PHE A 28 -12.362 -4.925 1.574 1.00 0.00 C ATOM 0 H PHE A 28 -9.891 1.237 0.918 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.239 -1.385 0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.844 -0.446 1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.018 -0.268 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -12.840 -2.319 -0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.410 -2.569 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.539 -4.656 -0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.102 -4.900 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.665 -5.952 1.714 1.00 0.00 H new ATOM 451 N SER A 29 -11.256 0.167 -1.870 1.00 0.00 N ATOM 452 CA SER A 29 -11.813 0.159 -3.213 1.00 0.00 C ATOM 453 C SER A 29 -10.710 0.110 -4.267 1.00 0.00 C ATOM 454 O SER A 29 -10.872 -0.499 -5.325 1.00 0.00 O ATOM 455 CB SER A 29 -12.669 1.405 -3.417 1.00 0.00 C ATOM 456 OG SER A 29 -13.709 1.474 -2.452 1.00 0.00 O ATOM 0 H SER A 29 -11.461 1.014 -1.340 1.00 0.00 H new ATOM 0 HA SER A 29 -12.428 -0.734 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.044 2.295 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.098 1.395 -4.419 1.00 0.00 H new ATOM 0 HG SER A 29 -13.337 1.753 -1.589 1.00 0.00 H new ATOM 462 N MET A 30 -9.591 0.752 -3.970 1.00 0.00 N ATOM 463 CA MET A 30 -8.463 0.788 -4.895 1.00 0.00 C ATOM 464 C MET A 30 -7.739 -0.553 -4.920 1.00 0.00 C ATOM 465 O MET A 30 -7.088 -0.899 -5.906 1.00 0.00 O ATOM 466 CB MET A 30 -7.483 1.902 -4.518 1.00 0.00 C ATOM 467 CG MET A 30 -7.990 3.315 -4.797 1.00 0.00 C ATOM 468 SD MET A 30 -8.157 3.704 -6.559 1.00 0.00 S ATOM 469 CE MET A 30 -9.697 2.883 -6.973 1.00 0.00 C ATOM 0 H MET A 30 -9.437 1.256 -3.097 1.00 0.00 H new ATOM 0 HA MET A 30 -8.857 0.992 -5.891 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.248 1.817 -3.457 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.552 1.749 -5.064 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.958 3.445 -4.314 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.307 4.032 -4.340 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.491 2.025 -7.612 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.187 2.546 -6.059 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.350 3.579 -7.499 1.00 0.00 H new ATOM 479 N GLY A 31 -7.863 -1.306 -3.835 1.00 0.00 N ATOM 480 CA GLY A 31 -7.216 -2.603 -3.751 1.00 0.00 C ATOM 481 C GLY A 31 -6.185 -2.665 -2.646 1.00 0.00 C ATOM 482 O GLY A 31 -5.468 -3.659 -2.509 1.00 0.00 O ATOM 0 H GLY A 31 -8.401 -1.042 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.970 -3.372 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.737 -2.829 -4.704 1.00 0.00 H new ATOM 486 N LEU A 32 -6.109 -1.606 -1.854 1.00 0.00 N ATOM 487 CA LEU A 32 -5.160 -1.539 -0.756 1.00 0.00 C ATOM 488 C LEU A 32 -5.858 -1.922 0.541 1.00 0.00 C ATOM 489 O LEU A 32 -6.446 -1.077 1.213 1.00 0.00 O ATOM 490 CB LEU A 32 -4.571 -0.130 -0.643 1.00 0.00 C ATOM 491 CG LEU A 32 -3.899 0.400 -1.912 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.474 1.846 -1.727 1.00 0.00 C ATOM 493 CD2 LEU A 32 -2.702 -0.458 -2.281 1.00 0.00 C ATOM 0 H LEU A 32 -6.697 -0.778 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.345 -2.237 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.368 0.558 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.840 -0.123 0.166 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.623 0.353 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.998 2.205 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.350 2.458 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.769 1.915 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.238 -0.065 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.978 -0.443 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.029 -1.483 -2.457 1.00 0.00 H new ATOM 505 N LEU A 33 -5.821 -3.203 0.866 1.00 0.00 N ATOM 506 CA LEU A 33 -6.538 -3.719 2.017 1.00 0.00 C ATOM 507 C LEU A 33 -5.720 -4.785 2.740 1.00 0.00 C ATOM 508 O LEU A 33 -4.849 -5.420 2.142 1.00 0.00 O ATOM 509 CB LEU A 33 -7.893 -4.275 1.563 1.00 0.00 C ATOM 510 CG LEU A 33 -7.854 -5.242 0.374 1.00 0.00 C ATOM 511 CD1 LEU A 33 -7.620 -6.674 0.839 1.00 0.00 C ATOM 512 CD2 LEU A 33 -9.137 -5.137 -0.439 1.00 0.00 C ATOM 0 H LEU A 33 -5.299 -3.907 0.345 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.707 -2.908 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.356 -4.786 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.540 -3.437 1.304 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.018 -4.961 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.597 -7.338 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.669 -6.734 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.426 -6.976 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.093 -5.830 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.990 -5.386 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.248 -4.119 -0.813 1.00 0.00 H new ATOM 524 N PRO A 34 -5.982 -4.980 4.043 1.00 0.00 N ATOM 525 CA PRO A 34 -5.287 -5.986 4.851 1.00 0.00 C ATOM 526 C PRO A 34 -5.564 -7.402 4.359 1.00 0.00 C ATOM 527 O PRO A 34 -6.718 -7.804 4.193 1.00 0.00 O ATOM 528 CB PRO A 34 -5.860 -5.792 6.262 1.00 0.00 C ATOM 529 CG PRO A 34 -6.504 -4.447 6.244 1.00 0.00 C ATOM 530 CD PRO A 34 -6.975 -4.239 4.835 1.00 0.00 C ATOM 0 HA PRO A 34 -4.205 -5.864 4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.583 -6.571 6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.074 -5.842 7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.337 -4.403 6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.798 -3.671 6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.982 -4.627 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.997 -3.182 4.568 1.00 0.00 H new ATOM 538 N GLY A 35 -4.500 -8.150 4.112 1.00 0.00 N ATOM 539 CA GLY A 35 -4.644 -9.512 3.640 1.00 0.00 C ATOM 540 C GLY A 35 -4.358 -9.634 2.160 1.00 0.00 C ATOM 541 O GLY A 35 -4.536 -10.700 1.571 1.00 0.00 O ATOM 0 H GLY A 35 -3.536 -7.838 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.966 -10.161 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.657 -9.861 3.843 1.00 0.00 H new ATOM 545 N ALA A 36 -3.916 -8.539 1.556 1.00 0.00 N ATOM 546 CA ALA A 36 -3.575 -8.529 0.155 1.00 0.00 C ATOM 547 C ALA A 36 -2.067 -8.456 -0.011 1.00 0.00 C ATOM 548 O ALA A 36 -1.321 -8.411 0.972 1.00 0.00 O ATOM 549 CB ALA A 36 -4.247 -7.356 -0.543 1.00 0.00 C ATOM 0 H ALA A 36 -3.787 -7.643 2.026 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.932 -9.451 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.981 -7.361 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.329 -7.443 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.913 -6.423 -0.089 1.00 0.00 H new ATOM 555 N ALA A 37 -1.626 -8.429 -1.249 1.00 0.00 N ATOM 556 CA ALA A 37 -0.205 -8.406 -1.555 1.00 0.00 C ATOM 557 C ALA A 37 0.066 -7.639 -2.842 1.00 0.00 C ATOM 558 O ALA A 37 -0.740 -7.657 -3.775 1.00 0.00 O ATOM 559 CB ALA A 37 0.337 -9.824 -1.657 1.00 0.00 C ATOM 0 H ALA A 37 -2.233 -8.422 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 37 0.308 -7.892 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.402 -9.791 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.186 -10.340 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.188 -10.358 -2.449 1.00 0.00 H new ATOM 565 N LEU A 38 1.198 -6.957 -2.870 1.00 0.00 N ATOM 566 CA LEU A 38 1.628 -6.207 -4.040 1.00 0.00 C ATOM 567 C LEU A 38 3.058 -6.583 -4.384 1.00 0.00 C ATOM 568 O LEU A 38 3.933 -6.598 -3.520 1.00 0.00 O ATOM 569 CB LEU A 38 1.558 -4.702 -3.778 1.00 0.00 C ATOM 570 CG LEU A 38 0.210 -4.173 -3.284 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.332 -2.715 -2.868 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.854 -4.324 -4.360 1.00 0.00 C ATOM 0 H LEU A 38 1.845 -6.907 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 38 0.963 -6.451 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.320 -4.445 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.816 -4.180 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.090 -4.761 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.636 -2.354 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.064 -2.626 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.655 -2.119 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.805 -3.942 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.558 -3.761 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.963 -5.377 -4.619 1.00 0.00 H new ATOM 584 N ARG A 39 3.286 -6.884 -5.640 1.00 0.00 N ATOM 585 CA ARG A 39 4.618 -7.224 -6.109 1.00 0.00 C ATOM 586 C ARG A 39 5.232 -6.016 -6.796 1.00 0.00 C ATOM 587 O ARG A 39 4.687 -5.515 -7.780 1.00 0.00 O ATOM 588 CB ARG A 39 4.555 -8.428 -7.051 1.00 0.00 C ATOM 589 CG ARG A 39 5.896 -8.813 -7.651 1.00 0.00 C ATOM 590 CD ARG A 39 5.816 -10.148 -8.376 1.00 0.00 C ATOM 591 NE ARG A 39 5.754 -11.277 -7.448 1.00 0.00 N ATOM 592 CZ ARG A 39 5.151 -12.436 -7.719 1.00 0.00 C ATOM 593 NH1 ARG A 39 4.424 -12.566 -8.823 1.00 0.00 N ATOM 594 NH2 ARG A 39 5.248 -13.454 -6.868 1.00 0.00 N ATOM 0 H ARG A 39 2.566 -6.902 -6.362 1.00 0.00 H new ATOM 0 HA ARG A 39 5.247 -7.499 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.154 -9.282 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.857 -8.208 -7.859 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.221 -8.039 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.646 -8.870 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.935 -10.159 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.685 -10.260 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 39 6.200 -11.172 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.326 -11.779 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.964 -13.453 -9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.784 -13.349 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.786 -14.339 -7.077 1.00 0.00 H new ATOM 608 N VAL A 40 6.347 -5.537 -6.257 1.00 0.00 N ATOM 609 CA VAL A 40 6.970 -4.318 -6.754 1.00 0.00 C ATOM 610 C VAL A 40 7.479 -4.492 -8.175 1.00 0.00 C ATOM 611 O VAL A 40 8.130 -5.483 -8.510 1.00 0.00 O ATOM 612 CB VAL A 40 8.121 -3.840 -5.835 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.356 -4.707 -5.977 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.442 -2.381 -6.103 1.00 0.00 C ATOM 0 H VAL A 40 6.837 -5.974 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 40 6.195 -3.552 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 40 7.783 -3.936 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.139 -4.337 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.111 -5.735 -5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.707 -4.674 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.253 -2.061 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.745 -2.260 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.558 -1.773 -5.910 1.00 0.00 H new ATOM 624 N VAL A 41 7.128 -3.538 -9.014 1.00 0.00 N ATOM 625 CA VAL A 41 7.631 -3.487 -10.367 1.00 0.00 C ATOM 626 C VAL A 41 8.836 -2.556 -10.439 1.00 0.00 C ATOM 627 O VAL A 41 9.914 -2.964 -10.873 1.00 0.00 O ATOM 628 CB VAL A 41 6.547 -3.013 -11.363 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.084 -3.007 -12.785 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.308 -3.891 -11.263 1.00 0.00 C ATOM 0 H VAL A 41 6.488 -2.780 -8.776 1.00 0.00 H new ATOM 0 HA VAL A 41 7.927 -4.497 -10.648 1.00 0.00 H new ATOM 0 HB VAL A 41 6.268 -1.992 -11.101 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.304 -2.670 -13.467 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.938 -2.332 -12.849 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.396 -4.014 -13.060 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.557 -3.542 -11.971 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.573 -4.923 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.905 -3.838 -10.251 1.00 0.00 H new ATOM 640 N ARG A 42 8.655 -1.311 -9.987 1.00 0.00 N ATOM 641 CA ARG A 42 9.713 -0.294 -10.078 1.00 0.00 C ATOM 642 C ARG A 42 9.558 0.802 -9.021 1.00 0.00 C ATOM 643 O ARG A 42 8.445 1.203 -8.682 1.00 0.00 O ATOM 644 CB ARG A 42 9.717 0.394 -11.457 1.00 0.00 C ATOM 645 CG ARG A 42 9.892 -0.537 -12.647 1.00 0.00 C ATOM 646 CD ARG A 42 9.990 0.240 -13.950 1.00 0.00 C ATOM 647 NE ARG A 42 11.294 0.882 -14.106 1.00 0.00 N ATOM 648 CZ ARG A 42 11.474 2.110 -14.589 1.00 0.00 C ATOM 649 NH1 ARG A 42 10.432 2.868 -14.906 1.00 0.00 N ATOM 650 NH2 ARG A 42 12.707 2.581 -14.747 1.00 0.00 N ATOM 0 H ARG A 42 7.791 -0.982 -9.556 1.00 0.00 H new ATOM 0 HA ARG A 42 10.647 -0.832 -9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.780 0.937 -11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.518 1.133 -11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.791 -1.138 -12.512 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.051 -1.229 -12.696 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.815 -0.434 -14.788 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.207 0.997 -13.981 1.00 0.00 H new ATOM 0 HE ARG A 42 12.121 0.354 -13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.485 2.511 -14.780 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.578 3.807 -15.275 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.510 2.003 -14.499 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.850 3.521 -15.117 1.00 0.00 H new ATOM 664 N ILE A 43 10.689 1.274 -8.509 1.00 0.00 N ATOM 665 CA ILE A 43 10.749 2.550 -7.801 1.00 0.00 C ATOM 666 C ILE A 43 11.626 3.492 -8.626 1.00 0.00 C ATOM 667 O ILE A 43 12.789 3.178 -8.881 1.00 0.00 O ATOM 668 CB ILE A 43 11.363 2.455 -6.375 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.528 1.554 -5.460 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.502 3.848 -5.754 1.00 0.00 C ATOM 671 CD1 ILE A 43 10.842 0.081 -5.606 1.00 0.00 C ATOM 0 H ILE A 43 11.584 0.789 -8.571 1.00 0.00 H new ATOM 0 HA ILE A 43 9.724 2.902 -7.682 1.00 0.00 H new ATOM 0 HB ILE A 43 12.353 2.009 -6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.693 1.851 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.471 1.714 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.933 3.760 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.152 4.461 -6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.520 4.315 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.212 -0.494 -4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.650 -0.232 -6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.890 -0.093 -5.364 1.00 0.00 H new ATOM 683 N ALA A 44 11.073 4.610 -9.077 1.00 0.00 N ATOM 684 CA ALA A 44 11.835 5.572 -9.869 1.00 0.00 C ATOM 685 C ALA A 44 13.077 6.044 -9.116 1.00 0.00 C ATOM 686 O ALA A 44 12.983 6.490 -7.971 1.00 0.00 O ATOM 687 CB ALA A 44 10.966 6.762 -10.243 1.00 0.00 C ATOM 0 H ALA A 44 10.102 4.875 -8.910 1.00 0.00 H new ATOM 0 HA ALA A 44 12.159 5.071 -10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.550 7.468 -10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.112 6.420 -10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.611 7.253 -9.337 1.00 0.00 H new ATOM 693 N PRO A 45 14.256 5.958 -9.759 1.00 0.00 N ATOM 694 CA PRO A 45 15.541 6.358 -9.156 1.00 0.00 C ATOM 695 C PRO A 45 15.587 7.844 -8.803 1.00 0.00 C ATOM 696 O PRO A 45 16.530 8.314 -8.165 1.00 0.00 O ATOM 697 CB PRO A 45 16.568 6.039 -10.244 1.00 0.00 C ATOM 698 CG PRO A 45 15.889 5.071 -11.149 1.00 0.00 C ATOM 699 CD PRO A 45 14.437 5.443 -11.125 1.00 0.00 C ATOM 0 HA PRO A 45 15.721 5.837 -8.216 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.865 6.939 -10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.474 5.610 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 45 16.292 5.131 -12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.036 4.046 -10.808 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.200 6.196 -11.876 1.00 0.00 H new ATOM 0 HD3 PRO A 45 13.796 4.584 -11.322 1.00 0.00 H new ATOM 707 N LEU A 46 14.566 8.571 -9.243 1.00 0.00 N ATOM 708 CA LEU A 46 14.384 9.971 -8.881 1.00 0.00 C ATOM 709 C LEU A 46 14.338 10.130 -7.369 1.00 0.00 C ATOM 710 O LEU A 46 14.868 11.092 -6.810 1.00 0.00 O ATOM 711 CB LEU A 46 13.073 10.502 -9.476 1.00 0.00 C ATOM 712 CG LEU A 46 13.144 10.990 -10.930 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.218 12.053 -11.082 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.397 9.830 -11.883 1.00 0.00 C ATOM 0 H LEU A 46 13.841 8.206 -9.861 1.00 0.00 H new ATOM 0 HA LEU A 46 15.227 10.537 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.323 9.713 -9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.722 11.325 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 46 12.181 11.432 -11.187 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.255 12.388 -12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.986 12.899 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.185 11.636 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.443 10.203 -12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.342 9.350 -11.629 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.587 9.105 -11.797 1.00 0.00 H new ATOM 726 N GLY A 47 13.702 9.176 -6.722 1.00 0.00 N ATOM 727 CA GLY A 47 13.516 9.238 -5.297 1.00 0.00 C ATOM 728 C GLY A 47 12.577 8.167 -4.840 1.00 0.00 C ATOM 729 O GLY A 47 13.011 7.137 -4.317 1.00 0.00 O ATOM 0 H GLY A 47 13.306 8.348 -7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.477 9.125 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.123 10.216 -5.019 1.00 0.00 H new ATOM 733 N ASP A 48 11.285 8.387 -5.063 1.00 0.00 N ATOM 734 CA ASP A 48 10.299 7.383 -4.706 1.00 0.00 C ATOM 735 C ASP A 48 8.907 7.677 -5.242 1.00 0.00 C ATOM 736 O ASP A 48 8.320 8.735 -5.004 1.00 0.00 O ATOM 737 CB ASP A 48 10.232 7.320 -3.176 1.00 0.00 C ATOM 738 CG ASP A 48 9.210 6.337 -2.633 1.00 0.00 C ATOM 739 OD1 ASP A 48 8.011 6.687 -2.581 1.00 0.00 O ATOM 740 OD2 ASP A 48 9.610 5.229 -2.217 1.00 0.00 O ATOM 0 H ASP A 48 10.905 9.236 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 48 10.612 6.439 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.216 7.051 -2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.001 8.314 -2.793 1.00 0.00 H new ATOM 745 N PRO A 49 8.414 6.737 -6.043 1.00 0.00 N ATOM 746 CA PRO A 49 7.060 6.254 -6.057 1.00 0.00 C ATOM 747 C PRO A 49 7.091 4.775 -5.705 1.00 0.00 C ATOM 748 O PRO A 49 8.122 4.262 -5.267 1.00 0.00 O ATOM 749 CB PRO A 49 6.704 6.425 -7.530 1.00 0.00 C ATOM 750 CG PRO A 49 8.010 6.203 -8.253 1.00 0.00 C ATOM 751 CD PRO A 49 9.107 6.183 -7.197 1.00 0.00 C ATOM 0 HA PRO A 49 6.372 6.750 -5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.948 5.705 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.301 7.418 -7.730 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.990 5.264 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.188 6.996 -8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.475 5.175 -7.008 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.966 6.787 -7.488 1.00 0.00 H new ATOM 759 N ILE A 50 6.004 4.080 -5.917 1.00 0.00 N ATOM 760 CA ILE A 50 6.038 2.632 -5.850 1.00 0.00 C ATOM 761 C ILE A 50 5.106 2.051 -6.898 1.00 0.00 C ATOM 762 O ILE A 50 3.886 2.064 -6.735 1.00 0.00 O ATOM 763 CB ILE A 50 5.659 2.075 -4.449 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.634 2.572 -3.375 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.643 0.552 -4.471 1.00 0.00 C ATOM 766 CD1 ILE A 50 6.353 2.024 -1.995 1.00 0.00 C ATOM 0 H ILE A 50 5.092 4.481 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 50 7.068 2.331 -6.042 1.00 0.00 H new ATOM 0 HB ILE A 50 4.662 2.439 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.649 2.299 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.595 3.661 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.376 0.177 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.911 0.206 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.631 0.182 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.084 2.421 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.351 2.319 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.421 0.936 -2.015 1.00 0.00 H new ATOM 778 N GLN A 51 5.687 1.589 -7.992 1.00 0.00 N ATOM 779 CA GLN A 51 4.937 0.929 -9.036 1.00 0.00 C ATOM 780 C GLN A 51 4.850 -0.554 -8.717 1.00 0.00 C ATOM 781 O GLN A 51 5.874 -1.220 -8.608 1.00 0.00 O ATOM 782 CB GLN A 51 5.620 1.149 -10.384 1.00 0.00 C ATOM 783 CG GLN A 51 5.694 2.613 -10.797 1.00 0.00 C ATOM 784 CD GLN A 51 6.372 2.814 -12.139 1.00 0.00 C ATOM 785 OE1 GLN A 51 7.588 2.985 -12.221 1.00 0.00 O ATOM 786 NE2 GLN A 51 5.586 2.809 -13.201 1.00 0.00 N ATOM 0 H GLN A 51 6.687 1.662 -8.177 1.00 0.00 H new ATOM 0 HA GLN A 51 3.931 1.344 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.630 0.740 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.082 0.591 -11.150 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.686 3.025 -10.840 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.235 3.173 -10.035 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.582 2.664 -13.092 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.983 2.950 -14.130 1.00 0.00 H new ATOM 795 N VAL A 52 3.638 -1.060 -8.547 1.00 0.00 N ATOM 796 CA VAL A 52 3.435 -2.447 -8.140 1.00 0.00 C ATOM 797 C VAL A 52 2.388 -3.136 -9.004 1.00 0.00 C ATOM 798 O VAL A 52 1.715 -2.495 -9.809 1.00 0.00 O ATOM 799 CB VAL A 52 2.988 -2.560 -6.667 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.103 -2.156 -5.723 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.738 -1.726 -6.411 1.00 0.00 C ATOM 0 H VAL A 52 2.777 -0.531 -8.684 1.00 0.00 H new ATOM 0 HA VAL A 52 4.401 -2.936 -8.264 1.00 0.00 H new ATOM 0 HB VAL A 52 2.746 -3.605 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.758 -2.246 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.963 -2.808 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.391 -1.123 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.444 -1.823 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.947 -0.680 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.928 -2.078 -7.050 1.00 0.00 H new ATOM 811 N GLU A 53 2.260 -4.440 -8.816 1.00 0.00 N ATOM 812 CA GLU A 53 1.256 -5.231 -9.498 1.00 0.00 C ATOM 813 C GLU A 53 0.660 -6.228 -8.513 1.00 0.00 C ATOM 814 O GLU A 53 1.372 -6.783 -7.673 1.00 0.00 O ATOM 815 CB GLU A 53 1.871 -5.959 -10.701 1.00 0.00 C ATOM 816 CG GLU A 53 0.905 -6.882 -11.434 1.00 0.00 C ATOM 817 CD GLU A 53 -0.345 -6.173 -11.918 1.00 0.00 C ATOM 818 OE1 GLU A 53 -0.317 -5.603 -13.030 1.00 0.00 O ATOM 819 OE2 GLU A 53 -1.360 -6.196 -11.190 1.00 0.00 O ATOM 0 H GLU A 53 2.853 -4.978 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 53 0.468 -4.577 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.252 -5.218 -11.404 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.726 -6.543 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.416 -7.328 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.619 -7.698 -10.771 1.00 0.00 H new ATOM 826 N THR A 54 -0.636 -6.442 -8.607 1.00 0.00 N ATOM 827 CA THR A 54 -1.332 -7.317 -7.687 1.00 0.00 C ATOM 828 C THR A 54 -2.069 -8.405 -8.470 1.00 0.00 C ATOM 829 O THR A 54 -2.985 -9.062 -7.962 1.00 0.00 O ATOM 830 CB THR A 54 -2.307 -6.504 -6.809 1.00 0.00 C ATOM 831 OG1 THR A 54 -2.723 -7.275 -5.676 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.526 -6.045 -7.598 1.00 0.00 C ATOM 0 H THR A 54 -1.233 -6.018 -9.317 1.00 0.00 H new ATOM 0 HA THR A 54 -0.609 -7.796 -7.026 1.00 0.00 H new ATOM 0 HB THR A 54 -1.774 -5.617 -6.466 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.974 -7.369 -5.051 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.189 -5.476 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.206 -5.416 -8.428 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.057 -6.914 -7.985 1.00 0.00 H new ATOM 840 N ARG A 55 -1.631 -8.575 -9.719 1.00 0.00 N ATOM 841 CA ARG A 55 -2.175 -9.577 -10.641 1.00 0.00 C ATOM 842 C ARG A 55 -3.540 -9.146 -11.158 1.00 0.00 C ATOM 843 O ARG A 55 -4.334 -9.973 -11.598 1.00 0.00 O ATOM 844 CB ARG A 55 -2.274 -10.955 -9.975 1.00 0.00 C ATOM 845 CG ARG A 55 -0.942 -11.503 -9.493 1.00 0.00 C ATOM 846 CD ARG A 55 -1.126 -12.795 -8.715 1.00 0.00 C ATOM 847 NE ARG A 55 -2.030 -12.626 -7.575 1.00 0.00 N ATOM 848 CZ ARG A 55 -2.205 -13.535 -6.616 1.00 0.00 C ATOM 849 NH1 ARG A 55 -1.504 -14.664 -6.621 1.00 0.00 N ATOM 850 NH2 ARG A 55 -3.067 -13.302 -5.635 1.00 0.00 N ATOM 0 H ARG A 55 -0.881 -8.015 -10.124 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.488 -9.656 -11.483 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.957 -10.890 -9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.711 -11.659 -10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.289 -11.680 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.449 -10.763 -8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.520 -13.565 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.157 -13.145 -8.360 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.560 -11.757 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.826 -14.840 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.644 -15.354 -5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.594 -12.429 -5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.203 -13.996 -4.900 1.00 0.00 H new ATOM 864 N GLN A 56 -3.789 -7.843 -11.130 1.00 0.00 N ATOM 865 CA GLN A 56 -5.068 -7.289 -11.562 1.00 0.00 C ATOM 866 C GLN A 56 -4.844 -5.990 -12.323 1.00 0.00 C ATOM 867 O GLN A 56 -5.325 -5.814 -13.442 1.00 0.00 O ATOM 868 CB GLN A 56 -5.985 -7.023 -10.362 1.00 0.00 C ATOM 869 CG GLN A 56 -6.548 -8.273 -9.705 1.00 0.00 C ATOM 870 CD GLN A 56 -7.505 -9.033 -10.609 1.00 0.00 C ATOM 871 OE1 GLN A 56 -8.778 -8.668 -10.572 1.00 0.00 O flip ATOM 872 NE2 GLN A 56 -7.104 -9.926 -11.349 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.117 -7.145 -10.810 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.548 -8.019 -12.214 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.429 -6.455 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.814 -6.395 -10.688 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.726 -8.930 -9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.066 -7.994 -8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.116 -10.181 -11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.758 -10.413 -11.962 1.00 0.00 H new ATOM 881 N THR A 57 -4.114 -5.083 -11.697 1.00 0.00 N ATOM 882 CA THR A 57 -3.792 -3.794 -12.285 1.00 0.00 C ATOM 883 C THR A 57 -2.493 -3.274 -11.685 1.00 0.00 C ATOM 884 O THR A 57 -2.284 -3.371 -10.474 1.00 0.00 O ATOM 885 CB THR A 57 -4.914 -2.761 -12.034 1.00 0.00 C ATOM 886 OG1 THR A 57 -6.167 -3.257 -12.528 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.595 -1.430 -12.707 1.00 0.00 C ATOM 0 H THR A 57 -3.727 -5.220 -10.763 1.00 0.00 H new ATOM 0 HA THR A 57 -3.686 -3.931 -13.361 1.00 0.00 H new ATOM 0 HB THR A 57 -4.984 -2.601 -10.958 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.870 -2.594 -12.362 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.401 -0.722 -12.514 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.661 -1.035 -12.307 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.494 -1.581 -13.782 1.00 0.00 H new ATOM 895 N SER A 58 -1.614 -2.756 -12.529 1.00 0.00 N ATOM 896 CA SER A 58 -0.384 -2.152 -12.056 1.00 0.00 C ATOM 897 C SER A 58 -0.681 -0.769 -11.486 1.00 0.00 C ATOM 898 O SER A 58 -1.374 0.033 -12.111 1.00 0.00 O ATOM 899 CB SER A 58 0.626 -2.045 -13.195 1.00 0.00 C ATOM 900 OG SER A 58 0.650 -3.229 -13.979 1.00 0.00 O ATOM 0 H SER A 58 -1.731 -2.743 -13.542 1.00 0.00 H new ATOM 0 HA SER A 58 0.043 -2.779 -11.274 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.375 -1.193 -13.827 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.619 -1.857 -12.786 1.00 0.00 H new ATOM 0 HG SER A 58 0.337 -3.985 -13.439 1.00 0.00 H new ATOM 906 N LEU A 59 -0.167 -0.499 -10.299 1.00 0.00 N ATOM 907 CA LEU A 59 -0.433 0.762 -9.618 1.00 0.00 C ATOM 908 C LEU A 59 0.855 1.516 -9.317 1.00 0.00 C ATOM 909 O LEU A 59 1.953 0.996 -9.510 1.00 0.00 O ATOM 910 CB LEU A 59 -1.202 0.537 -8.307 1.00 0.00 C ATOM 911 CG LEU A 59 -2.734 0.510 -8.411 1.00 0.00 C ATOM 912 CD1 LEU A 59 -3.247 1.730 -9.165 1.00 0.00 C ATOM 913 CD2 LEU A 59 -3.221 -0.772 -9.067 1.00 0.00 C ATOM 0 H LEU A 59 0.439 -1.137 -9.783 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.044 1.360 -10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.872 -0.408 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.921 1.323 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.135 0.539 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.335 1.689 -9.226 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.947 2.636 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.827 1.739 -10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.309 -0.760 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.804 -0.848 -10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.899 -1.629 -8.475 1.00 0.00 H new ATOM 925 N ALA A 60 0.696 2.747 -8.854 1.00 0.00 N ATOM 926 CA ALA A 60 1.801 3.573 -8.396 1.00 0.00 C ATOM 927 C ALA A 60 1.307 4.442 -7.248 1.00 0.00 C ATOM 928 O ALA A 60 0.170 4.918 -7.281 1.00 0.00 O ATOM 929 CB ALA A 60 2.336 4.432 -9.533 1.00 0.00 C ATOM 0 H ALA A 60 -0.213 3.204 -8.785 1.00 0.00 H new ATOM 0 HA ALA A 60 2.619 2.940 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.162 5.043 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.687 3.789 -10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.542 5.080 -9.904 1.00 0.00 H new ATOM 935 N LEU A 61 2.137 4.653 -6.236 1.00 0.00 N ATOM 936 CA LEU A 61 1.692 5.358 -5.047 1.00 0.00 C ATOM 937 C LEU A 61 2.827 6.176 -4.470 1.00 0.00 C ATOM 938 O LEU A 61 3.997 5.887 -4.724 1.00 0.00 O ATOM 939 CB LEU A 61 1.126 4.375 -4.008 1.00 0.00 C ATOM 940 CG LEU A 61 2.048 3.226 -3.591 1.00 0.00 C ATOM 941 CD1 LEU A 61 2.952 3.646 -2.441 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.231 2.002 -3.214 1.00 0.00 C ATOM 0 H LEU A 61 3.111 4.349 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 61 0.888 6.040 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.856 4.939 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.205 3.948 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 61 2.682 2.970 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.598 2.813 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.565 4.492 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.342 3.934 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.901 1.194 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.571 2.247 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.634 1.685 -4.069 1.00 0.00 H new ATOM 954 N ARG A 62 2.475 7.217 -3.737 1.00 0.00 N ATOM 955 CA ARG A 62 3.456 8.105 -3.161 1.00 0.00 C ATOM 956 C ARG A 62 3.622 7.863 -1.670 1.00 0.00 C ATOM 957 O ARG A 62 2.784 7.221 -1.036 1.00 0.00 O ATOM 958 CB ARG A 62 3.062 9.552 -3.422 1.00 0.00 C ATOM 959 CG ARG A 62 3.372 10.006 -4.835 1.00 0.00 C ATOM 960 CD ARG A 62 2.605 9.214 -5.885 1.00 0.00 C ATOM 961 NE ARG A 62 3.168 9.384 -7.223 1.00 0.00 N ATOM 962 CZ ARG A 62 2.537 9.059 -8.350 1.00 0.00 C ATOM 963 NH1 ARG A 62 1.301 8.574 -8.313 1.00 0.00 N ATOM 964 NH2 ARG A 62 3.146 9.214 -9.519 1.00 0.00 N ATOM 0 H ARG A 62 1.508 7.465 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 62 4.416 7.901 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.995 9.672 -3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.584 10.198 -2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.130 11.064 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.442 9.905 -5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.615 8.157 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.562 9.532 -5.888 1.00 0.00 H new ATOM 0 HE ARG A 62 4.106 9.777 -7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.829 8.448 -7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.824 8.327 -9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.097 9.582 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.663 8.965 -10.382 1.00 0.00 H new ATOM 978 N ARG A 63 4.708 8.404 -1.135 1.00 0.00 N ATOM 979 CA ARG A 63 5.072 8.264 0.279 1.00 0.00 C ATOM 980 C ARG A 63 3.929 8.616 1.224 1.00 0.00 C ATOM 981 O ARG A 63 3.785 8.002 2.280 1.00 0.00 O ATOM 982 CB ARG A 63 6.283 9.143 0.580 1.00 0.00 C ATOM 983 CG ARG A 63 7.603 8.466 0.278 1.00 0.00 C ATOM 984 CD ARG A 63 8.712 9.478 0.054 1.00 0.00 C ATOM 985 NE ARG A 63 8.589 10.126 -1.254 1.00 0.00 N ATOM 986 CZ ARG A 63 9.175 11.278 -1.579 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.807 11.999 -0.657 1.00 0.00 N ATOM 988 NH2 ARG A 63 9.101 11.734 -2.826 1.00 0.00 N ATOM 0 H ARG A 63 5.373 8.960 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 63 5.310 7.214 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.211 10.061 -0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.262 9.431 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.872 7.807 1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.497 7.840 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.682 10.233 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.680 8.981 0.126 1.00 0.00 H new ATOM 0 HE ARG A 63 8.018 9.665 -1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.846 11.671 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.253 12.879 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.595 11.202 -3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.550 12.616 -3.074 1.00 0.00 H new ATOM 1002 N LYS A 64 3.136 9.610 0.850 1.00 0.00 N ATOM 1003 CA LYS A 64 1.982 10.022 1.650 1.00 0.00 C ATOM 1004 C LYS A 64 1.003 8.863 1.828 1.00 0.00 C ATOM 1005 O LYS A 64 0.580 8.562 2.944 1.00 0.00 O ATOM 1006 CB LYS A 64 1.289 11.235 1.002 1.00 0.00 C ATOM 1007 CG LYS A 64 0.087 11.770 1.780 1.00 0.00 C ATOM 1008 CD LYS A 64 -1.220 11.142 1.314 1.00 0.00 C ATOM 1009 CE LYS A 64 -1.607 11.622 -0.077 1.00 0.00 C ATOM 1010 NZ LYS A 64 -2.815 10.926 -0.590 1.00 0.00 N ATOM 0 H LYS A 64 3.268 10.150 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 64 2.333 10.316 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.019 12.037 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.963 10.958 -0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.226 11.572 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.031 12.852 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.122 10.056 1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.014 11.388 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.791 12.696 -0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.775 11.457 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.422 11.607 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.529 10.171 -1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.342 10.513 0.206 1.00 0.00 H new ATOM 1024 N ASP A 65 0.657 8.207 0.728 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.250 7.068 0.765 1.00 0.00 C ATOM 1026 C ASP A 65 0.448 5.860 1.374 1.00 0.00 C ATOM 1027 O ASP A 65 -0.167 5.061 2.081 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.745 6.741 -0.647 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.678 7.801 -1.200 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -1.198 8.897 -1.556 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -2.901 7.555 -1.266 1.00 0.00 O ATOM 0 H ASP A 65 0.993 8.446 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.109 7.323 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.112 6.634 -1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.260 5.780 -0.634 1.00 0.00 H new ATOM 1036 N LEU A 66 1.744 5.752 1.108 1.00 0.00 N ATOM 1037 CA LEU A 66 2.566 4.675 1.646 1.00 0.00 C ATOM 1038 C LEU A 66 2.620 4.737 3.168 1.00 0.00 C ATOM 1039 O LEU A 66 2.620 3.707 3.843 1.00 0.00 O ATOM 1040 CB LEU A 66 3.985 4.771 1.078 1.00 0.00 C ATOM 1041 CG LEU A 66 4.969 3.709 1.576 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.527 2.325 1.132 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.375 4.012 1.083 1.00 0.00 C ATOM 0 H LEU A 66 2.254 6.407 0.515 1.00 0.00 H new ATOM 0 HA LEU A 66 2.117 3.725 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.928 4.707 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.388 5.755 1.318 1.00 0.00 H new ATOM 0 HG LEU A 66 4.979 3.730 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.238 1.582 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.539 2.111 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.487 2.288 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.061 3.247 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.385 4.020 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.689 4.987 1.455 1.00 0.00 H new ATOM 1055 N ALA A 67 2.658 5.950 3.700 1.00 0.00 N ATOM 1056 CA ALA A 67 2.754 6.153 5.140 1.00 0.00 C ATOM 1057 C ALA A 67 1.506 5.657 5.865 1.00 0.00 C ATOM 1058 O ALA A 67 1.535 5.416 7.071 1.00 0.00 O ATOM 1059 CB ALA A 67 2.994 7.621 5.452 1.00 0.00 C ATOM 0 H ALA A 67 2.624 6.812 3.155 1.00 0.00 H new ATOM 0 HA ALA A 67 3.601 5.568 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.063 7.757 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.924 7.945 4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.167 8.215 5.064 1.00 0.00 H new ATOM 1065 N LEU A 68 0.418 5.492 5.122 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.845 5.064 5.709 1.00 0.00 C ATOM 1067 C LEU A 68 -1.027 3.549 5.608 1.00 0.00 C ATOM 1068 O LEU A 68 -1.993 3.004 6.140 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.013 5.776 5.024 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.011 7.300 5.151 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -3.170 7.903 4.378 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -2.073 7.713 6.613 1.00 0.00 C ATOM 0 H LEU A 68 0.385 5.648 4.114 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.827 5.331 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.006 5.516 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.945 5.394 5.440 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.082 7.678 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.151 8.988 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.082 7.637 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.110 7.518 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.071 8.801 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.985 7.322 7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.207 7.313 7.141 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.097 2.872 4.942 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.211 1.433 4.727 1.00 0.00 C ATOM 1086 C LEU A 69 0.845 0.664 5.515 1.00 0.00 C ATOM 1087 O LEU A 69 2.035 0.985 5.456 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.067 1.105 3.238 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.116 1.735 2.320 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -0.806 1.413 0.867 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -2.509 1.247 2.682 1.00 0.00 C ATOM 0 H LEU A 69 0.741 3.294 4.543 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.197 1.128 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.920 1.427 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.107 0.022 3.117 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.085 2.816 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.560 1.867 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.176 1.808 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.812 0.332 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.240 1.707 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.554 0.163 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.734 1.520 3.713 1.00 0.00 H new ATOM 1103 N THR A 70 0.407 -0.341 6.261 1.00 0.00 N ATOM 1104 CA THR A 70 1.326 -1.254 6.922 1.00 0.00 C ATOM 1105 C THR A 70 1.665 -2.411 5.986 1.00 0.00 C ATOM 1106 O THR A 70 0.794 -3.202 5.612 1.00 0.00 O ATOM 1107 CB THR A 70 0.733 -1.812 8.223 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.188 -0.747 9.015 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.792 -2.555 9.027 1.00 0.00 C ATOM 0 H THR A 70 -0.579 -0.544 6.423 1.00 0.00 H new ATOM 0 HA THR A 70 2.228 -0.695 7.171 1.00 0.00 H new ATOM 0 HB THR A 70 -0.061 -2.511 7.960 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.189 -1.114 9.842 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.348 -2.941 9.944 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.183 -3.384 8.436 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.605 -1.873 9.277 1.00 0.00 H new ATOM 1117 N LEU A 71 2.929 -2.501 5.611 1.00 0.00 N ATOM 1118 CA LEU A 71 3.372 -3.483 4.628 1.00 0.00 C ATOM 1119 C LEU A 71 4.500 -4.342 5.184 1.00 0.00 C ATOM 1120 O LEU A 71 5.434 -3.830 5.804 1.00 0.00 O ATOM 1121 CB LEU A 71 3.867 -2.781 3.358 1.00 0.00 C ATOM 1122 CG LEU A 71 2.876 -1.818 2.697 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.522 -1.130 1.506 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.620 -2.554 2.262 1.00 0.00 C ATOM 0 H LEU A 71 3.673 -1.904 5.973 1.00 0.00 H new ATOM 0 HA LEU A 71 2.519 -4.120 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.774 -2.228 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.145 -3.543 2.630 1.00 0.00 H new ATOM 0 HG LEU A 71 2.595 -1.061 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.806 -0.449 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.394 -0.568 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.830 -1.879 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.930 -1.851 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.884 -3.333 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.144 -3.007 3.132 1.00 0.00 H new ATOM 1136 N VAL A 72 4.406 -5.644 4.961 1.00 0.00 N ATOM 1137 CA VAL A 72 5.476 -6.572 5.322 1.00 0.00 C ATOM 1138 C VAL A 72 5.757 -7.538 4.170 1.00 0.00 C ATOM 1139 O VAL A 72 4.834 -8.103 3.600 1.00 0.00 O ATOM 1140 CB VAL A 72 5.157 -7.379 6.605 1.00 0.00 C ATOM 1141 CG1 VAL A 72 5.110 -6.468 7.824 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.851 -8.146 6.466 1.00 0.00 C ATOM 0 H VAL A 72 3.595 -6.088 4.529 1.00 0.00 H new ATOM 0 HA VAL A 72 6.359 -5.966 5.523 1.00 0.00 H new ATOM 0 HB VAL A 72 5.961 -8.102 6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.884 -7.059 8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.076 -5.979 7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.336 -5.713 7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.656 -8.702 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.035 -7.446 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.924 -8.841 5.629 1.00 0.00 H new ATOM 1152 N PRO A 73 7.031 -7.740 3.806 1.00 0.00 N ATOM 1153 CA PRO A 73 7.400 -8.571 2.649 1.00 0.00 C ATOM 1154 C PRO A 73 7.052 -10.052 2.834 1.00 0.00 C ATOM 1155 O PRO A 73 6.784 -10.509 3.948 1.00 0.00 O ATOM 1156 CB PRO A 73 8.922 -8.393 2.540 1.00 0.00 C ATOM 1157 CG PRO A 73 9.253 -7.219 3.404 1.00 0.00 C ATOM 1158 CD PRO A 73 8.210 -7.188 4.482 1.00 0.00 C ATOM 0 HA PRO A 73 6.853 -8.266 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.446 -9.287 2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.223 -8.217 1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.251 -7.318 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.244 -6.295 2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.501 -7.788 5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.032 -6.175 4.844 1.00 0.00 H new ATOM 1166 N LEU A 74 7.050 -10.791 1.726 1.00 0.00 N ATOM 1167 CA LEU A 74 6.830 -12.233 1.755 1.00 0.00 C ATOM 1168 C LEU A 74 7.990 -12.954 2.430 1.00 0.00 C ATOM 1169 O LEU A 74 7.816 -14.044 2.975 1.00 0.00 O ATOM 1170 CB LEU A 74 6.662 -12.776 0.335 1.00 0.00 C ATOM 1171 CG LEU A 74 5.310 -12.506 -0.332 1.00 0.00 C ATOM 1172 CD1 LEU A 74 5.296 -13.075 -1.743 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.182 -13.115 0.485 1.00 0.00 C ATOM 0 H LEU A 74 7.200 -10.410 0.792 1.00 0.00 H new ATOM 0 HA LEU A 74 5.920 -12.414 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.445 -12.349 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.825 -13.854 0.358 1.00 0.00 H new ATOM 0 HG LEU A 74 5.161 -11.427 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.329 -12.876 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.084 -12.606 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.465 -14.151 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.229 -12.913 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.329 -14.192 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.178 -12.677 1.483 1.00 0.00 H new ATOM 1185 N ASP A 75 9.163 -12.326 2.374 1.00 0.00 N ATOM 1186 CA ASP A 75 10.392 -12.888 2.934 1.00 0.00 C ATOM 1187 C ASP A 75 10.819 -14.130 2.159 1.00 0.00 C ATOM 1188 O ASP A 75 10.374 -15.245 2.500 1.00 0.00 O ATOM 1189 CB ASP A 75 10.244 -13.203 4.428 1.00 0.00 C ATOM 1190 CG ASP A 75 11.526 -13.740 5.034 1.00 0.00 C ATOM 1191 OD1 ASP A 75 12.560 -13.041 4.966 1.00 0.00 O ATOM 1192 OD2 ASP A 75 11.506 -14.853 5.602 1.00 0.00 O ATOM 1193 OXT ASP A 75 11.598 -13.978 1.195 1.00 0.00 O ATOM 0 H ASP A 75 9.289 -11.412 1.939 1.00 0.00 H new ATOM 0 HA ASP A 75 11.172 -12.133 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.944 -12.300 4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.446 -13.933 4.566 1.00 0.00 H new TER 1198 ASP A 75