USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 THR OG1 : rot 150:sc= -2.67! USER MOD Set 1.2: A 77 ASN : amide:sc= -10.6! C(o=-13!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.265 K(o=-0.27,f=-3.3!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 39:sc= 0.0226 USER MOD Single : A 29 GLN : amide:sc= -0.0208 K(o=-0.021,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -3.66! C(o=-4.3!,f=-3.7!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.486 F(o=-1.9,f=-0.49) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -54:sc= 0.0357 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.301 F(o=-2.3,f=-0.3) USER MOD Single : A 63 SER OG : rot -17:sc= 0.0823 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -50:sc= -1.83 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 51:sc= 0.533 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.487 -14.966 27.789 1.00 0.00 N ATOM 2 CA GLY A 1 -13.345 -16.247 27.121 1.00 0.00 C ATOM 3 C GLY A 1 -14.195 -16.346 25.871 1.00 0.00 C ATOM 4 O GLY A 1 -15.393 -16.064 25.902 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.886 -14.948 28.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.197 -14.204 27.143 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.480 -14.827 28.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.299 -16.402 26.858 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.623 -17.045 27.810 1.00 0.00 H new ATOM 8 N SER A 2 -13.575 -16.747 24.765 1.00 0.00 N ATOM 9 CA SER A 2 -14.282 -16.878 23.497 1.00 0.00 C ATOM 10 C SER A 2 -13.466 -17.699 22.502 1.00 0.00 C ATOM 11 O SER A 2 -12.236 -17.657 22.508 1.00 0.00 O ATOM 12 CB SER A 2 -14.581 -15.496 22.911 1.00 0.00 C ATOM 13 OG SER A 2 -13.423 -14.931 22.321 1.00 0.00 O ATOM 0 H SER A 2 -12.584 -16.987 24.722 1.00 0.00 H new ATOM 0 HA SER A 2 -15.222 -17.397 23.685 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.371 -15.577 22.164 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.951 -14.837 23.696 1.00 0.00 H new ATOM 0 HG SER A 2 -13.641 -14.049 21.953 1.00 0.00 H new ATOM 19 N SER A 3 -14.161 -18.444 21.649 1.00 0.00 N ATOM 20 CA SER A 3 -13.503 -19.278 20.651 1.00 0.00 C ATOM 21 C SER A 3 -13.365 -18.534 19.326 1.00 0.00 C ATOM 22 O SER A 3 -12.258 -18.307 18.841 1.00 0.00 O ATOM 23 CB SER A 3 -14.288 -20.575 20.441 1.00 0.00 C ATOM 24 OG SER A 3 -13.578 -21.470 19.603 1.00 0.00 O ATOM 0 H SER A 3 -15.180 -18.487 21.629 1.00 0.00 H new ATOM 0 HA SER A 3 -12.505 -19.520 21.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.480 -21.048 21.404 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.258 -20.349 19.998 1.00 0.00 H new ATOM 0 HG SER A 3 -14.099 -22.291 19.486 1.00 0.00 H new ATOM 30 N GLY A 4 -14.501 -18.156 18.746 1.00 0.00 N ATOM 31 CA GLY A 4 -14.486 -17.441 17.483 1.00 0.00 C ATOM 32 C GLY A 4 -15.760 -17.644 16.688 1.00 0.00 C ATOM 33 O GLY A 4 -16.593 -18.479 17.040 1.00 0.00 O ATOM 0 H GLY A 4 -15.430 -18.332 19.128 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.345 -16.377 17.673 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.634 -17.774 16.890 1.00 0.00 H new ATOM 37 N SER A 5 -15.913 -16.878 15.612 1.00 0.00 N ATOM 38 CA SER A 5 -17.098 -16.974 14.767 1.00 0.00 C ATOM 39 C SER A 5 -16.813 -16.434 13.369 1.00 0.00 C ATOM 40 O SER A 5 -16.182 -15.389 13.212 1.00 0.00 O ATOM 41 CB SER A 5 -18.262 -16.205 15.396 1.00 0.00 C ATOM 42 OG SER A 5 -19.419 -16.276 14.581 1.00 0.00 O ATOM 0 H SER A 5 -15.231 -16.184 15.305 1.00 0.00 H new ATOM 0 HA SER A 5 -17.370 -18.026 14.683 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.482 -16.614 16.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.978 -15.163 15.540 1.00 0.00 H new ATOM 0 HG SER A 5 -20.149 -15.779 15.005 1.00 0.00 H new ATOM 48 N SER A 6 -17.284 -17.154 12.356 1.00 0.00 N ATOM 49 CA SER A 6 -17.077 -16.750 10.970 1.00 0.00 C ATOM 50 C SER A 6 -17.515 -15.305 10.754 1.00 0.00 C ATOM 51 O SER A 6 -18.423 -14.813 11.423 1.00 0.00 O ATOM 52 CB SER A 6 -17.848 -17.676 10.027 1.00 0.00 C ATOM 53 OG SER A 6 -17.115 -18.859 9.761 1.00 0.00 O ATOM 0 H SER A 6 -17.811 -18.020 12.469 1.00 0.00 H new ATOM 0 HA SER A 6 -16.012 -16.824 10.750 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.810 -17.933 10.471 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.057 -17.156 9.092 1.00 0.00 H new ATOM 0 HG SER A 6 -17.630 -19.434 9.158 1.00 0.00 H new ATOM 59 N GLY A 7 -16.862 -14.629 9.814 1.00 0.00 N ATOM 60 CA GLY A 7 -17.197 -13.247 9.525 1.00 0.00 C ATOM 61 C GLY A 7 -16.181 -12.581 8.618 1.00 0.00 C ATOM 62 O GLY A 7 -15.666 -11.510 8.934 1.00 0.00 O ATOM 0 H GLY A 7 -16.106 -15.014 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.180 -13.205 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.265 -12.690 10.459 1.00 0.00 H new ATOM 66 N ASN A 8 -15.892 -13.219 7.488 1.00 0.00 N ATOM 67 CA ASN A 8 -14.929 -12.682 6.533 1.00 0.00 C ATOM 68 C ASN A 8 -15.102 -13.331 5.164 1.00 0.00 C ATOM 69 O ASN A 8 -15.438 -14.512 5.062 1.00 0.00 O ATOM 70 CB ASN A 8 -13.502 -12.903 7.039 1.00 0.00 C ATOM 71 CG ASN A 8 -13.307 -14.281 7.639 1.00 0.00 C ATOM 72 OD1 ASN A 8 -13.873 -14.600 8.686 1.00 0.00 O ATOM 73 ND2 ASN A 8 -12.504 -15.107 6.978 1.00 0.00 N ATOM 0 H ASN A 8 -16.310 -14.107 7.212 1.00 0.00 H new ATOM 0 HA ASN A 8 -15.110 -11.612 6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.802 -12.767 6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.264 -12.147 7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.335 -16.048 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.056 -14.800 6.114 1.00 0.00 H new ATOM 80 N LEU A 9 -14.868 -12.553 4.113 1.00 0.00 N ATOM 81 CA LEU A 9 -14.997 -13.052 2.748 1.00 0.00 C ATOM 82 C LEU A 9 -14.536 -12.004 1.740 1.00 0.00 C ATOM 83 O LEU A 9 -14.546 -10.807 2.025 1.00 0.00 O ATOM 84 CB LEU A 9 -16.447 -13.447 2.463 1.00 0.00 C ATOM 85 CG LEU A 9 -16.647 -14.595 1.473 1.00 0.00 C ATOM 86 CD1 LEU A 9 -16.182 -15.910 2.080 1.00 0.00 C ATOM 87 CD2 LEU A 9 -18.107 -14.688 1.052 1.00 0.00 C ATOM 0 H LEU A 9 -14.588 -11.574 4.180 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.361 -13.932 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.920 -13.720 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.974 -12.571 2.084 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.045 -14.394 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.332 -16.716 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.124 -15.840 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.757 -16.117 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.231 -15.510 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.728 -14.866 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.409 -13.755 0.577 1.00 0.00 H new ATOM 99 N ASP A 10 -14.135 -12.463 0.559 1.00 0.00 N ATOM 100 CA ASP A 10 -13.673 -11.565 -0.493 1.00 0.00 C ATOM 101 C ASP A 10 -14.001 -12.130 -1.872 1.00 0.00 C ATOM 102 O ASP A 10 -13.640 -13.263 -2.191 1.00 0.00 O ATOM 103 CB ASP A 10 -12.167 -11.331 -0.369 1.00 0.00 C ATOM 104 CG ASP A 10 -11.717 -10.067 -1.076 1.00 0.00 C ATOM 105 OD1 ASP A 10 -12.319 -9.002 -0.827 1.00 0.00 O ATOM 106 OD2 ASP A 10 -10.764 -10.144 -1.880 1.00 0.00 O ATOM 0 H ASP A 10 -14.121 -13.451 0.307 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.191 -10.613 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.897 -11.270 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.634 -12.186 -0.785 1.00 0.00 H new ATOM 111 N ALA A 11 -14.687 -11.334 -2.685 1.00 0.00 N ATOM 112 CA ALA A 11 -15.062 -11.754 -4.029 1.00 0.00 C ATOM 113 C ALA A 11 -14.098 -11.193 -5.069 1.00 0.00 C ATOM 114 O ALA A 11 -13.527 -11.937 -5.867 1.00 0.00 O ATOM 115 CB ALA A 11 -16.487 -11.321 -4.339 1.00 0.00 C ATOM 0 H ALA A 11 -14.995 -10.394 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.007 -12.842 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.754 -11.641 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.170 -11.775 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.560 -10.235 -4.272 1.00 0.00 H new ATOM 121 N LEU A 12 -13.923 -9.876 -5.056 1.00 0.00 N ATOM 122 CA LEU A 12 -13.028 -9.214 -5.999 1.00 0.00 C ATOM 123 C LEU A 12 -11.642 -9.851 -5.973 1.00 0.00 C ATOM 124 O LEU A 12 -11.197 -10.351 -4.940 1.00 0.00 O ATOM 125 CB LEU A 12 -12.923 -7.723 -5.672 1.00 0.00 C ATOM 126 CG LEU A 12 -14.036 -6.834 -6.226 1.00 0.00 C ATOM 127 CD1 LEU A 12 -14.005 -6.825 -7.746 1.00 0.00 C ATOM 128 CD2 LEU A 12 -15.393 -7.302 -5.721 1.00 0.00 C ATOM 0 H LEU A 12 -14.389 -9.246 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.443 -9.332 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.901 -7.610 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.969 -7.355 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.871 -5.816 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.805 -6.187 -8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.044 -6.442 -8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.145 -7.840 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.174 -6.658 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.567 -8.329 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.412 -7.255 -4.632 1.00 0.00 H new ATOM 140 N ARG A 13 -10.965 -9.827 -7.117 1.00 0.00 N ATOM 141 CA ARG A 13 -9.629 -10.401 -7.225 1.00 0.00 C ATOM 142 C ARG A 13 -8.569 -9.305 -7.282 1.00 0.00 C ATOM 143 O ARG A 13 -7.644 -9.365 -8.092 1.00 0.00 O ATOM 144 CB ARG A 13 -9.531 -11.286 -8.469 1.00 0.00 C ATOM 145 CG ARG A 13 -9.606 -10.511 -9.775 1.00 0.00 C ATOM 146 CD ARG A 13 -11.029 -10.458 -10.310 1.00 0.00 C ATOM 147 NE ARG A 13 -11.066 -10.136 -11.734 1.00 0.00 N ATOM 148 CZ ARG A 13 -12.171 -10.187 -12.470 1.00 0.00 C ATOM 149 NH1 ARG A 13 -13.323 -10.544 -11.919 1.00 0.00 N ATOM 150 NH2 ARG A 13 -12.124 -9.879 -13.760 1.00 0.00 N ATOM 0 H ARG A 13 -11.319 -9.417 -7.981 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.449 -11.010 -6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.592 -11.839 -8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.335 -12.021 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.236 -9.497 -9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.955 -10.978 -10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.515 -11.419 -10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.598 -9.712 -9.755 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.196 -9.857 -12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.363 -10.780 -10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.170 -10.582 -12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.240 -9.603 -14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.972 -9.918 -14.325 1.00 0.00 H new ATOM 164 N GLU A 14 -8.712 -8.305 -6.418 1.00 0.00 N ATOM 165 CA GLU A 14 -7.767 -7.196 -6.372 1.00 0.00 C ATOM 166 C GLU A 14 -7.266 -6.967 -4.949 1.00 0.00 C ATOM 167 O GLU A 14 -7.794 -7.536 -3.993 1.00 0.00 O ATOM 168 CB GLU A 14 -8.419 -5.919 -6.906 1.00 0.00 C ATOM 169 CG GLU A 14 -7.438 -4.779 -7.123 1.00 0.00 C ATOM 170 CD GLU A 14 -7.999 -3.688 -8.014 1.00 0.00 C ATOM 171 OE1 GLU A 14 -8.884 -3.992 -8.840 1.00 0.00 O ATOM 172 OE2 GLU A 14 -7.553 -2.528 -7.883 1.00 0.00 O ATOM 0 H GLU A 14 -9.472 -8.240 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.915 -7.452 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.917 -6.143 -7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.190 -5.595 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.165 -4.351 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.523 -5.171 -7.567 1.00 0.00 H new ATOM 179 N VAL A 15 -6.242 -6.129 -4.816 1.00 0.00 N ATOM 180 CA VAL A 15 -5.668 -5.824 -3.511 1.00 0.00 C ATOM 181 C VAL A 15 -6.223 -4.515 -2.960 1.00 0.00 C ATOM 182 O VAL A 15 -5.488 -3.708 -2.389 1.00 0.00 O ATOM 183 CB VAL A 15 -4.133 -5.729 -3.580 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.537 -7.048 -4.049 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.711 -4.589 -4.495 1.00 0.00 C ATOM 0 H VAL A 15 -5.793 -5.649 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.943 -6.642 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.754 -5.522 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.451 -6.962 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.811 -7.840 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.921 -7.289 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.623 -4.536 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.100 -4.764 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.107 -3.649 -4.111 1.00 0.00 H new ATOM 195 N LEU A 16 -7.524 -4.311 -3.133 1.00 0.00 N ATOM 196 CA LEU A 16 -8.179 -3.099 -2.653 1.00 0.00 C ATOM 197 C LEU A 16 -7.889 -2.873 -1.173 1.00 0.00 C ATOM 198 O LEU A 16 -8.082 -1.775 -0.653 1.00 0.00 O ATOM 199 CB LEU A 16 -9.689 -3.188 -2.880 1.00 0.00 C ATOM 200 CG LEU A 16 -10.134 -3.577 -4.290 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.602 -3.975 -4.296 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.886 -2.433 -5.263 1.00 0.00 C ATOM 0 H LEU A 16 -8.146 -4.969 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.782 -2.254 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.100 -3.914 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.131 -2.222 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.544 -4.435 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.901 -4.249 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.751 -4.826 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.208 -3.136 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.209 -2.728 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.449 -1.556 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.822 -2.195 -5.281 1.00 0.00 H new ATOM 214 N GLU A 17 -7.421 -3.921 -0.500 1.00 0.00 N ATOM 215 CA GLU A 17 -7.103 -3.836 0.920 1.00 0.00 C ATOM 216 C GLU A 17 -5.608 -4.031 1.155 1.00 0.00 C ATOM 217 O GLU A 17 -4.903 -4.588 0.313 1.00 0.00 O ATOM 218 CB GLU A 17 -7.895 -4.882 1.707 1.00 0.00 C ATOM 219 CG GLU A 17 -9.245 -4.383 2.194 1.00 0.00 C ATOM 220 CD GLU A 17 -10.273 -5.493 2.302 1.00 0.00 C ATOM 221 OE1 GLU A 17 -10.583 -6.118 1.266 1.00 0.00 O ATOM 222 OE2 GLU A 17 -10.767 -5.737 3.423 1.00 0.00 O ATOM 0 H GLU A 17 -7.254 -4.837 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.382 -2.842 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.047 -5.759 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.304 -5.203 2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.123 -3.910 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.613 -3.617 1.511 1.00 0.00 H new ATOM 229 N CYS A 18 -5.131 -3.569 2.306 1.00 0.00 N ATOM 230 CA CYS A 18 -3.720 -3.691 2.654 1.00 0.00 C ATOM 231 C CYS A 18 -3.355 -5.144 2.946 1.00 0.00 C ATOM 232 O CYS A 18 -4.078 -5.865 3.635 1.00 0.00 O ATOM 233 CB CYS A 18 -3.395 -2.818 3.867 1.00 0.00 C ATOM 234 SG CYS A 18 -1.654 -2.900 4.397 1.00 0.00 S ATOM 0 H CYS A 18 -5.701 -3.106 3.014 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.131 -3.351 1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.644 -1.783 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.032 -3.119 4.699 1.00 0.00 H new ATOM 239 N PRO A 19 -2.208 -5.585 2.410 1.00 0.00 N ATOM 240 CA PRO A 19 -1.720 -6.954 2.600 1.00 0.00 C ATOM 241 C PRO A 19 -1.266 -7.214 4.032 1.00 0.00 C ATOM 242 O PRO A 19 -0.828 -8.316 4.364 1.00 0.00 O ATOM 243 CB PRO A 19 -0.533 -7.045 1.638 1.00 0.00 C ATOM 244 CG PRO A 19 -0.066 -5.639 1.478 1.00 0.00 C ATOM 245 CD PRO A 19 -1.297 -4.780 1.578 1.00 0.00 C ATOM 0 HA PRO A 19 -2.498 -7.694 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.255 -7.681 2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.831 -7.475 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.656 -5.377 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.430 -5.499 0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.078 -3.816 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.725 -4.575 0.597 1.00 0.00 H new ATOM 253 N ILE A 20 -1.373 -6.194 4.877 1.00 0.00 N ATOM 254 CA ILE A 20 -0.975 -6.314 6.274 1.00 0.00 C ATOM 255 C ILE A 20 -2.186 -6.250 7.198 1.00 0.00 C ATOM 256 O ILE A 20 -2.596 -7.258 7.774 1.00 0.00 O ATOM 257 CB ILE A 20 0.021 -5.209 6.672 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.244 -5.238 5.753 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.440 -5.372 8.125 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.339 -4.283 6.174 1.00 0.00 C ATOM 0 H ILE A 20 -1.732 -5.275 4.618 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.490 -7.284 6.382 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.470 -4.242 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.646 -6.251 5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.931 -4.995 4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.144 -4.584 8.391 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.439 -5.306 8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.915 -6.344 8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.174 -4.357 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.954 -3.263 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.679 -4.539 7.177 1.00 0.00 H new ATOM 272 N CYS A 21 -2.756 -5.057 7.335 1.00 0.00 N ATOM 273 CA CYS A 21 -3.921 -4.859 8.188 1.00 0.00 C ATOM 274 C CYS A 21 -5.190 -5.352 7.499 1.00 0.00 C ATOM 275 O CYS A 21 -6.139 -5.781 8.155 1.00 0.00 O ATOM 276 CB CYS A 21 -4.067 -3.381 8.553 1.00 0.00 C ATOM 277 SG CYS A 21 -3.922 -2.247 7.135 1.00 0.00 S ATOM 0 H CYS A 21 -2.429 -4.213 6.866 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.775 -5.439 9.100 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.036 -3.229 9.028 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.307 -3.123 9.290 1.00 0.00 H new ATOM 282 N MET A 22 -5.199 -5.287 6.171 1.00 0.00 N ATOM 283 CA MET A 22 -6.350 -5.728 5.393 1.00 0.00 C ATOM 284 C MET A 22 -7.515 -4.755 5.546 1.00 0.00 C ATOM 285 O MET A 22 -8.641 -5.162 5.830 1.00 0.00 O ATOM 286 CB MET A 22 -6.781 -7.130 5.828 1.00 0.00 C ATOM 287 CG MET A 22 -5.630 -8.119 5.919 1.00 0.00 C ATOM 288 SD MET A 22 -6.144 -9.816 5.594 1.00 0.00 S ATOM 289 CE MET A 22 -5.891 -9.914 3.824 1.00 0.00 C ATOM 0 H MET A 22 -4.422 -4.933 5.612 1.00 0.00 H new ATOM 0 HA MET A 22 -6.058 -5.755 4.343 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.271 -7.065 6.799 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.520 -7.509 5.122 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.855 -7.835 5.206 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.185 -8.062 6.913 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.166 -10.908 3.472 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.511 -9.168 3.326 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.842 -9.725 3.595 1.00 0.00 H new ATOM 299 N GLU A 23 -7.235 -3.469 5.356 1.00 0.00 N ATOM 300 CA GLU A 23 -8.261 -2.440 5.475 1.00 0.00 C ATOM 301 C GLU A 23 -8.436 -1.692 4.156 1.00 0.00 C ATOM 302 O GLU A 23 -7.464 -1.409 3.457 1.00 0.00 O ATOM 303 CB GLU A 23 -7.899 -1.454 6.589 1.00 0.00 C ATOM 304 CG GLU A 23 -8.310 -1.924 7.974 1.00 0.00 C ATOM 305 CD GLU A 23 -7.572 -1.195 9.080 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.907 -0.022 9.344 1.00 0.00 O ATOM 307 OE2 GLU A 23 -6.659 -1.799 9.681 1.00 0.00 O ATOM 0 H GLU A 23 -6.308 -3.116 5.119 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.203 -2.929 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.822 -1.284 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.375 -0.495 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.383 -1.777 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.122 -2.994 8.061 1.00 0.00 H new ATOM 314 N SER A 24 -9.684 -1.376 3.824 1.00 0.00 N ATOM 315 CA SER A 24 -9.988 -0.665 2.588 1.00 0.00 C ATOM 316 C SER A 24 -9.130 0.590 2.457 1.00 0.00 C ATOM 317 O SER A 24 -9.012 1.376 3.397 1.00 0.00 O ATOM 318 CB SER A 24 -11.471 -0.290 2.542 1.00 0.00 C ATOM 319 OG SER A 24 -11.746 0.807 3.397 1.00 0.00 O ATOM 0 H SER A 24 -10.500 -1.601 4.393 1.00 0.00 H new ATOM 0 HA SER A 24 -9.762 -1.327 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.754 -0.039 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.076 -1.147 2.839 1.00 0.00 H new ATOM 0 HG SER A 24 -12.699 1.028 3.349 1.00 0.00 H new ATOM 325 N PHE A 25 -8.533 0.771 1.283 1.00 0.00 N ATOM 326 CA PHE A 25 -7.685 1.929 1.028 1.00 0.00 C ATOM 327 C PHE A 25 -8.525 3.190 0.851 1.00 0.00 C ATOM 328 O PHE A 25 -9.133 3.404 -0.199 1.00 0.00 O ATOM 329 CB PHE A 25 -6.827 1.695 -0.217 1.00 0.00 C ATOM 330 CG PHE A 25 -5.707 0.717 0.001 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.852 0.854 1.082 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.511 -0.339 -0.874 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.820 -0.043 1.285 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.482 -1.240 -0.676 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.636 -1.092 0.405 1.00 0.00 C ATOM 0 H PHE A 25 -8.621 0.131 0.494 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.032 2.067 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.463 1.332 -1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.409 2.647 -0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.993 1.671 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.170 -0.460 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.158 0.076 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.340 -2.059 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.832 -1.795 0.562 1.00 0.00 H new ATOM 345 N THR A 26 -8.555 4.024 1.886 1.00 0.00 N ATOM 346 CA THR A 26 -9.321 5.264 1.846 1.00 0.00 C ATOM 347 C THR A 26 -8.438 6.466 2.158 1.00 0.00 C ATOM 348 O THR A 26 -7.601 6.415 3.058 1.00 0.00 O ATOM 349 CB THR A 26 -10.495 5.230 2.844 1.00 0.00 C ATOM 350 OG1 THR A 26 -11.033 6.547 3.010 1.00 0.00 O ATOM 351 CG2 THR A 26 -10.044 4.687 4.191 1.00 0.00 C ATOM 0 H THR A 26 -8.058 3.863 2.762 1.00 0.00 H new ATOM 0 HA THR A 26 -9.716 5.360 0.834 1.00 0.00 H new ATOM 0 HB THR A 26 -11.265 4.570 2.444 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.038 7.009 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.889 4.672 4.879 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.661 3.674 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.258 5.325 4.596 1.00 0.00 H new ATOM 359 N GLU A 27 -8.632 7.547 1.409 1.00 0.00 N ATOM 360 CA GLU A 27 -7.851 8.763 1.607 1.00 0.00 C ATOM 361 C GLU A 27 -8.388 9.568 2.787 1.00 0.00 C ATOM 362 O GLU A 27 -8.551 10.784 2.698 1.00 0.00 O ATOM 363 CB GLU A 27 -7.870 9.620 0.340 1.00 0.00 C ATOM 364 CG GLU A 27 -6.877 9.167 -0.717 1.00 0.00 C ATOM 365 CD GLU A 27 -7.150 9.780 -2.076 1.00 0.00 C ATOM 366 OE1 GLU A 27 -8.302 10.196 -2.319 1.00 0.00 O ATOM 367 OE2 GLU A 27 -6.211 9.845 -2.897 1.00 0.00 O ATOM 0 H GLU A 27 -9.322 7.606 0.660 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.823 8.473 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.873 9.602 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.656 10.655 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.868 9.432 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.910 8.081 -0.799 1.00 0.00 H new ATOM 374 N GLU A 28 -8.662 8.879 3.890 1.00 0.00 N ATOM 375 CA GLU A 28 -9.182 9.530 5.087 1.00 0.00 C ATOM 376 C GLU A 28 -8.445 9.046 6.333 1.00 0.00 C ATOM 377 O GLU A 28 -8.171 9.825 7.245 1.00 0.00 O ATOM 378 CB GLU A 28 -10.681 9.260 5.231 1.00 0.00 C ATOM 379 CG GLU A 28 -11.553 10.261 4.490 1.00 0.00 C ATOM 380 CD GLU A 28 -11.354 10.208 2.988 1.00 0.00 C ATOM 381 OE1 GLU A 28 -11.490 9.109 2.410 1.00 0.00 O ATOM 382 OE2 GLU A 28 -11.062 11.265 2.390 1.00 0.00 O ATOM 0 H GLU A 28 -8.533 7.871 3.980 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.022 10.603 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.898 8.258 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.944 9.274 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.600 10.066 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.330 11.266 4.847 1.00 0.00 H new ATOM 389 N GLN A 29 -8.130 7.755 6.363 1.00 0.00 N ATOM 390 CA GLN A 29 -7.427 7.167 7.497 1.00 0.00 C ATOM 391 C GLN A 29 -6.276 6.285 7.026 1.00 0.00 C ATOM 392 O GLN A 29 -5.210 6.256 7.642 1.00 0.00 O ATOM 393 CB GLN A 29 -8.394 6.349 8.355 1.00 0.00 C ATOM 394 CG GLN A 29 -7.783 5.853 9.656 1.00 0.00 C ATOM 395 CD GLN A 29 -7.859 6.882 10.766 1.00 0.00 C ATOM 396 OE1 GLN A 29 -7.544 8.055 10.563 1.00 0.00 O ATOM 397 NE2 GLN A 29 -8.278 6.448 11.949 1.00 0.00 N ATOM 0 H GLN A 29 -8.350 7.097 5.616 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.016 7.978 8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.269 6.958 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.744 5.493 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.297 4.945 9.972 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.740 5.586 9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.529 5.467 12.073 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.349 7.096 12.734 1.00 0.00 H new ATOM 406 N LEU A 30 -6.498 5.566 5.931 1.00 0.00 N ATOM 407 CA LEU A 30 -5.478 4.682 5.376 1.00 0.00 C ATOM 408 C LEU A 30 -5.300 4.927 3.881 1.00 0.00 C ATOM 409 O LEU A 30 -6.136 4.525 3.073 1.00 0.00 O ATOM 410 CB LEU A 30 -5.853 3.220 5.624 1.00 0.00 C ATOM 411 CG LEU A 30 -6.433 2.901 7.003 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.401 1.731 6.917 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.317 2.600 7.993 1.00 0.00 C ATOM 0 H LEU A 30 -7.375 5.578 5.410 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.534 4.898 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.578 2.918 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.964 2.607 5.475 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.981 3.774 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.804 1.518 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.217 1.983 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.877 0.852 6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.747 2.375 8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.742 1.742 7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.661 3.467 8.077 1.00 0.00 H new ATOM 425 N ARG A 31 -4.204 5.587 3.522 1.00 0.00 N ATOM 426 CA ARG A 31 -3.915 5.884 2.124 1.00 0.00 C ATOM 427 C ARG A 31 -2.984 4.833 1.526 1.00 0.00 C ATOM 428 O ARG A 31 -1.953 4.483 2.100 1.00 0.00 O ATOM 429 CB ARG A 31 -3.285 7.272 1.995 1.00 0.00 C ATOM 430 CG ARG A 31 -4.301 8.388 1.818 1.00 0.00 C ATOM 431 CD ARG A 31 -3.633 9.689 1.401 1.00 0.00 C ATOM 432 NE ARG A 31 -2.975 10.352 2.524 1.00 0.00 N ATOM 433 CZ ARG A 31 -2.682 11.647 2.544 1.00 0.00 C ATOM 434 NH1 ARG A 31 -2.988 12.415 1.507 1.00 0.00 N ATOM 435 NH2 ARG A 31 -2.084 12.177 3.602 1.00 0.00 N ATOM 0 H ARG A 31 -3.502 5.926 4.179 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.855 5.867 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.687 7.474 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.603 7.275 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.035 8.097 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.843 8.539 2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.900 9.486 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.379 10.358 0.972 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.727 9.789 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.449 12.011 0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.762 13.409 1.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.848 11.590 4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.860 13.172 3.616 1.00 0.00 H new ATOM 449 N PRO A 32 -3.355 4.317 0.345 1.00 0.00 N ATOM 450 CA PRO A 32 -2.568 3.299 -0.357 1.00 0.00 C ATOM 451 C PRO A 32 -1.256 3.854 -0.901 1.00 0.00 C ATOM 452 O PRO A 32 -1.248 4.809 -1.679 1.00 0.00 O ATOM 453 CB PRO A 32 -3.484 2.871 -1.506 1.00 0.00 C ATOM 454 CG PRO A 32 -4.370 4.045 -1.742 1.00 0.00 C ATOM 455 CD PRO A 32 -4.572 4.688 -0.397 1.00 0.00 C ATOM 0 HA PRO A 32 -2.279 2.481 0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.910 2.623 -2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.062 1.985 -1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.914 4.743 -2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.322 3.735 -2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.678 5.770 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.471 4.317 0.095 1.00 0.00 H new ATOM 463 N LYS A 33 -0.146 3.251 -0.488 1.00 0.00 N ATOM 464 CA LYS A 33 1.172 3.683 -0.934 1.00 0.00 C ATOM 465 C LYS A 33 1.920 2.538 -1.610 1.00 0.00 C ATOM 466 O LYS A 33 1.932 1.412 -1.113 1.00 0.00 O ATOM 467 CB LYS A 33 1.987 4.210 0.249 1.00 0.00 C ATOM 468 CG LYS A 33 1.216 5.169 1.139 1.00 0.00 C ATOM 469 CD LYS A 33 0.772 6.405 0.375 1.00 0.00 C ATOM 470 CE LYS A 33 1.797 7.524 0.481 1.00 0.00 C ATOM 471 NZ LYS A 33 1.547 8.396 1.662 1.00 0.00 N ATOM 0 H LYS A 33 -0.134 2.460 0.156 1.00 0.00 H new ATOM 0 HA LYS A 33 1.037 4.485 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.329 3.366 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.877 4.714 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.343 4.662 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.840 5.466 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.617 6.150 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.186 6.750 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.797 7.095 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.772 8.127 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.267 9.146 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.603 8.826 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.596 7.826 2.531 1.00 0.00 H new ATOM 485 N LEU A 34 2.545 2.834 -2.745 1.00 0.00 N ATOM 486 CA LEU A 34 3.297 1.829 -3.488 1.00 0.00 C ATOM 487 C LEU A 34 4.792 1.950 -3.208 1.00 0.00 C ATOM 488 O LEU A 34 5.363 3.039 -3.286 1.00 0.00 O ATOM 489 CB LEU A 34 3.035 1.974 -4.988 1.00 0.00 C ATOM 490 CG LEU A 34 3.162 0.696 -5.818 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.531 -0.479 -5.089 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.523 0.883 -7.187 1.00 0.00 C ATOM 0 H LEU A 34 2.546 3.761 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 34 2.963 0.845 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.030 2.373 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.729 2.714 -5.388 1.00 0.00 H new ATOM 0 HG LEU A 34 4.221 0.482 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.631 -1.379 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.034 -0.627 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.475 -0.274 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.623 -0.036 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.467 1.122 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.021 1.697 -7.713 1.00 0.00 H new ATOM 504 N LEU A 35 5.420 0.826 -2.883 1.00 0.00 N ATOM 505 CA LEU A 35 6.849 0.804 -2.593 1.00 0.00 C ATOM 506 C LEU A 35 7.661 0.610 -3.870 1.00 0.00 C ATOM 507 O LEU A 35 7.133 0.176 -4.894 1.00 0.00 O ATOM 508 CB LEU A 35 7.171 -0.310 -1.596 1.00 0.00 C ATOM 509 CG LEU A 35 6.489 -0.208 -0.232 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.950 -1.333 0.682 1.00 0.00 C ATOM 511 CD2 LEU A 35 6.768 1.146 0.404 1.00 0.00 C ATOM 0 H LEU A 35 4.962 -0.083 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 35 7.120 1.764 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.897 -1.264 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.250 -0.330 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 35 5.413 -0.304 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.454 -1.243 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.698 -2.293 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.029 -1.269 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.275 1.201 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.843 1.272 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.387 1.937 -0.242 1.00 0.00 H new ATOM 523 N HIS A 36 8.949 0.933 -3.801 1.00 0.00 N ATOM 524 CA HIS A 36 9.835 0.792 -4.951 1.00 0.00 C ATOM 525 C HIS A 36 9.898 -0.661 -5.413 1.00 0.00 C ATOM 526 O HIS A 36 10.450 -0.964 -6.471 1.00 0.00 O ATOM 527 CB HIS A 36 11.238 1.291 -4.605 1.00 0.00 C ATOM 528 CG HIS A 36 11.302 2.764 -4.342 1.00 0.00 C ATOM 529 ND1 HIS A 36 10.324 3.655 -4.056 1.00 0.00 N flip ATOM 530 CD2 HIS A 36 12.479 3.481 -4.360 1.00 0.00 C flip ATOM 531 CE1 HIS A 36 10.922 4.882 -3.906 1.00 0.00 C flip ATOM 532 NE2 HIS A 36 12.223 4.750 -4.094 1.00 0.00 N flip ATOM 0 H HIS A 36 9.402 1.294 -2.961 1.00 0.00 H new ATOM 0 HA HIS A 36 9.433 1.396 -5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.598 0.757 -3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.914 1.047 -5.425 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.457 3.070 -4.560 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.412 5.805 -3.672 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.913 5.500 -4.043 1.00 0.00 H new ATOM 540 N CYS A 37 9.331 -1.557 -4.611 1.00 0.00 N ATOM 541 CA CYS A 37 9.324 -2.978 -4.935 1.00 0.00 C ATOM 542 C CYS A 37 8.100 -3.339 -5.772 1.00 0.00 C ATOM 543 O CYS A 37 8.208 -4.031 -6.783 1.00 0.00 O ATOM 544 CB CYS A 37 9.345 -3.815 -3.655 1.00 0.00 C ATOM 545 SG CYS A 37 7.904 -3.553 -2.571 1.00 0.00 S ATOM 0 H CYS A 37 8.870 -1.323 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 37 10.219 -3.196 -5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.396 -4.870 -3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.253 -3.584 -3.097 1.00 0.00 H new ATOM 550 N GLY A 38 6.935 -2.864 -5.341 1.00 0.00 N ATOM 551 CA GLY A 38 5.707 -3.146 -6.062 1.00 0.00 C ATOM 552 C GLY A 38 4.535 -3.397 -5.133 1.00 0.00 C ATOM 553 O GLY A 38 3.386 -3.123 -5.483 1.00 0.00 O ATOM 0 H GLY A 38 6.820 -2.289 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.474 -2.308 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.855 -4.018 -6.699 1.00 0.00 H new ATOM 557 N HIS A 39 4.824 -3.921 -3.946 1.00 0.00 N ATOM 558 CA HIS A 39 3.784 -4.210 -2.965 1.00 0.00 C ATOM 559 C HIS A 39 3.084 -2.928 -2.522 1.00 0.00 C ATOM 560 O HIS A 39 3.722 -1.894 -2.327 1.00 0.00 O ATOM 561 CB HIS A 39 4.383 -4.922 -1.752 1.00 0.00 C ATOM 562 CG HIS A 39 4.754 -6.349 -2.018 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.953 -6.901 -1.620 1.00 0.00 N ATOM 564 CD2 HIS A 39 4.074 -7.338 -2.644 1.00 0.00 C ATOM 565 CE1 HIS A 39 5.996 -8.168 -1.993 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.868 -8.458 -2.615 1.00 0.00 N ATOM 0 H HIS A 39 5.769 -4.154 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 39 3.047 -4.862 -3.434 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.270 -4.380 -1.424 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.667 -4.888 -0.931 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.091 -7.261 -3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.815 -8.850 -1.819 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.626 -9.367 -3.010 1.00 0.00 H new ATOM 574 N THR A 40 1.765 -3.004 -2.367 1.00 0.00 N ATOM 575 CA THR A 40 0.978 -1.851 -1.950 1.00 0.00 C ATOM 576 C THR A 40 0.527 -1.988 -0.500 1.00 0.00 C ATOM 577 O THR A 40 -0.207 -2.915 -0.154 1.00 0.00 O ATOM 578 CB THR A 40 -0.261 -1.663 -2.845 1.00 0.00 C ATOM 579 OG1 THR A 40 0.116 -1.735 -4.225 1.00 0.00 O ATOM 580 CG2 THR A 40 -0.933 -0.327 -2.567 1.00 0.00 C ATOM 0 H THR A 40 1.220 -3.852 -2.524 1.00 0.00 H new ATOM 0 HA THR A 40 1.623 -0.977 -2.046 1.00 0.00 H new ATOM 0 HB THR A 40 -0.969 -2.461 -2.620 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.631 -2.090 -4.750 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.805 -0.217 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.245 -0.287 -1.523 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.231 0.482 -2.767 1.00 0.00 H new ATOM 588 N ILE A 41 0.968 -1.061 0.343 1.00 0.00 N ATOM 589 CA ILE A 41 0.608 -1.079 1.755 1.00 0.00 C ATOM 590 C ILE A 41 0.033 0.264 2.192 1.00 0.00 C ATOM 591 O ILE A 41 0.360 1.307 1.624 1.00 0.00 O ATOM 592 CB ILE A 41 1.820 -1.419 2.641 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.570 -2.627 2.076 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.373 -1.687 4.070 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.784 -3.018 2.888 1.00 0.00 C ATOM 0 H ILE A 41 1.576 -0.288 0.073 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.149 -1.853 1.878 1.00 0.00 H new ATOM 0 HB ILE A 41 2.498 -0.565 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.888 -3.476 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.882 -2.406 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.241 -1.926 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.879 -0.801 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.678 -2.526 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.266 -3.881 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.485 -2.184 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.477 -3.271 3.903 1.00 0.00 H new ATOM 607 N CYS A 42 -0.825 0.232 3.207 1.00 0.00 N ATOM 608 CA CYS A 42 -1.445 1.447 3.723 1.00 0.00 C ATOM 609 C CYS A 42 -0.430 2.293 4.486 1.00 0.00 C ATOM 610 O CYS A 42 0.405 1.767 5.222 1.00 0.00 O ATOM 611 CB CYS A 42 -2.621 1.095 4.636 1.00 0.00 C ATOM 612 SG CYS A 42 -2.131 0.390 6.243 1.00 0.00 S ATOM 0 H CYS A 42 -1.107 -0.622 3.688 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.812 2.027 2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.213 1.994 4.811 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.266 0.384 4.121 1.00 0.00 H new ATOM 617 N ARG A 43 -0.510 3.608 4.306 1.00 0.00 N ATOM 618 CA ARG A 43 0.401 4.528 4.976 1.00 0.00 C ATOM 619 C ARG A 43 0.574 4.149 6.444 1.00 0.00 C ATOM 620 O ARG A 43 1.667 4.259 6.998 1.00 0.00 O ATOM 621 CB ARG A 43 -0.117 5.963 4.866 1.00 0.00 C ATOM 622 CG ARG A 43 -1.149 6.320 5.923 1.00 0.00 C ATOM 623 CD ARG A 43 -1.172 7.816 6.196 1.00 0.00 C ATOM 624 NE ARG A 43 -2.503 8.283 6.576 1.00 0.00 N ATOM 625 CZ ARG A 43 -2.850 9.564 6.608 1.00 0.00 C ATOM 626 NH1 ARG A 43 -1.971 10.502 6.284 1.00 0.00 N ATOM 627 NH2 ARG A 43 -4.081 9.910 6.964 1.00 0.00 N ATOM 0 H ARG A 43 -1.196 4.060 3.702 1.00 0.00 H new ATOM 0 HA ARG A 43 1.372 4.461 4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.725 6.651 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.556 6.107 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.136 5.994 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.927 5.784 6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.465 8.050 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.840 8.352 5.307 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.204 7.587 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.024 10.241 6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.241 11.485 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.761 9.192 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.347 10.894 6.988 1.00 0.00 H new ATOM 641 N GLN A 44 -0.512 3.702 7.066 1.00 0.00 N ATOM 642 CA GLN A 44 -0.481 3.308 8.470 1.00 0.00 C ATOM 643 C GLN A 44 0.643 2.310 8.730 1.00 0.00 C ATOM 644 O GLN A 44 1.495 2.529 9.591 1.00 0.00 O ATOM 645 CB GLN A 44 -1.823 2.701 8.881 1.00 0.00 C ATOM 646 CG GLN A 44 -1.741 1.829 10.124 1.00 0.00 C ATOM 647 CD GLN A 44 -3.102 1.544 10.728 1.00 0.00 C ATOM 648 OE1 GLN A 44 -3.979 0.926 9.946 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.362 1.876 11.885 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.424 3.604 6.620 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.296 4.200 9.068 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.537 3.505 9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.211 2.106 8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.256 0.886 9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.114 2.321 10.867 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.657 2.349 12.450 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.282 1.678 12.278 1.00 0.00 H new ATOM 658 N CYS A 45 0.639 1.213 7.980 1.00 0.00 N ATOM 659 CA CYS A 45 1.657 0.181 8.129 1.00 0.00 C ATOM 660 C CYS A 45 3.031 0.709 7.726 1.00 0.00 C ATOM 661 O CYS A 45 4.042 0.379 8.348 1.00 0.00 O ATOM 662 CB CYS A 45 1.300 -1.043 7.282 1.00 0.00 C ATOM 663 SG CYS A 45 -0.028 -2.072 7.985 1.00 0.00 S ATOM 0 H CYS A 45 -0.059 1.016 7.262 1.00 0.00 H new ATOM 0 HA CYS A 45 1.693 -0.110 9.179 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.999 -0.709 6.289 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.192 -1.657 7.155 1.00 0.00 H new ATOM 668 N LEU A 46 3.060 1.530 6.683 1.00 0.00 N ATOM 669 CA LEU A 46 4.309 2.105 6.196 1.00 0.00 C ATOM 670 C LEU A 46 4.956 2.984 7.262 1.00 0.00 C ATOM 671 O LEU A 46 6.172 2.959 7.446 1.00 0.00 O ATOM 672 CB LEU A 46 4.057 2.923 4.928 1.00 0.00 C ATOM 673 CG LEU A 46 5.302 3.399 4.178 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.713 2.380 3.126 1.00 0.00 C ATOM 675 CD2 LEU A 46 5.053 4.757 3.539 1.00 0.00 C ATOM 0 H LEU A 46 2.233 1.813 6.158 1.00 0.00 H new ATOM 0 HA LEU A 46 4.991 1.287 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.454 2.323 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.462 3.796 5.195 1.00 0.00 H new ATOM 0 HG LEU A 46 6.117 3.501 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.600 2.735 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.933 1.428 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.900 2.246 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.949 5.080 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.224 4.682 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.807 5.484 4.313 1.00 0.00 H new ATOM 687 N GLU A 47 4.133 3.758 7.963 1.00 0.00 N ATOM 688 CA GLU A 47 4.626 4.643 9.012 1.00 0.00 C ATOM 689 C GLU A 47 5.289 3.844 10.131 1.00 0.00 C ATOM 690 O GLU A 47 6.415 4.135 10.534 1.00 0.00 O ATOM 691 CB GLU A 47 3.481 5.484 9.580 1.00 0.00 C ATOM 692 CG GLU A 47 2.967 6.542 8.618 1.00 0.00 C ATOM 693 CD GLU A 47 2.463 7.782 9.329 1.00 0.00 C ATOM 694 OE1 GLU A 47 2.872 8.008 10.488 1.00 0.00 O ATOM 695 OE2 GLU A 47 1.661 8.527 8.729 1.00 0.00 O ATOM 0 H GLU A 47 3.123 3.790 7.824 1.00 0.00 H new ATOM 0 HA GLU A 47 5.371 5.306 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.658 4.824 9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.818 5.970 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.766 6.821 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.162 6.120 8.017 1.00 0.00 H new ATOM 702 N LYS A 48 4.581 2.836 10.629 1.00 0.00 N ATOM 703 CA LYS A 48 5.098 1.993 11.701 1.00 0.00 C ATOM 704 C LYS A 48 6.521 1.536 11.395 1.00 0.00 C ATOM 705 O LYS A 48 7.348 1.401 12.297 1.00 0.00 O ATOM 706 CB LYS A 48 4.193 0.777 11.903 1.00 0.00 C ATOM 707 CG LYS A 48 3.048 1.025 12.870 1.00 0.00 C ATOM 708 CD LYS A 48 1.809 1.528 12.150 1.00 0.00 C ATOM 709 CE LYS A 48 0.550 1.283 12.968 1.00 0.00 C ATOM 710 NZ LYS A 48 0.291 2.388 13.932 1.00 0.00 N ATOM 0 H LYS A 48 3.647 2.583 10.307 1.00 0.00 H new ATOM 0 HA LYS A 48 5.113 2.583 12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.784 0.475 10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.793 -0.055 12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.812 0.102 13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.355 1.754 13.620 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.912 2.594 11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.720 1.029 11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.303 1.178 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.647 0.343 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.575 2.183 14.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.094 2.472 14.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.173 3.281 13.413 1.00 0.00 H new ATOM 724 N LEU A 49 6.800 1.301 10.117 1.00 0.00 N ATOM 725 CA LEU A 49 8.124 0.860 9.692 1.00 0.00 C ATOM 726 C LEU A 49 9.076 2.044 9.561 1.00 0.00 C ATOM 727 O LEU A 49 10.126 2.084 10.204 1.00 0.00 O ATOM 728 CB LEU A 49 8.031 0.116 8.358 1.00 0.00 C ATOM 729 CG LEU A 49 7.450 -1.298 8.417 1.00 0.00 C ATOM 730 CD1 LEU A 49 7.335 -1.886 7.020 1.00 0.00 C ATOM 731 CD2 LEU A 49 8.307 -2.189 9.305 1.00 0.00 C ATOM 0 H LEU A 49 6.127 1.408 9.358 1.00 0.00 H new ATOM 0 HA LEU A 49 8.516 0.184 10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.422 0.709 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.030 0.059 7.926 1.00 0.00 H new ATOM 0 HG LEU A 49 6.450 -1.243 8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.920 -2.892 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.680 -1.260 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.323 -1.929 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.879 -3.191 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.319 -2.238 8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.337 -1.776 10.313 1.00 0.00 H new ATOM 743 N LEU A 50 8.702 3.008 8.727 1.00 0.00 N ATOM 744 CA LEU A 50 9.522 4.195 8.513 1.00 0.00 C ATOM 745 C LEU A 50 9.972 4.793 9.842 1.00 0.00 C ATOM 746 O LEU A 50 11.022 5.429 9.924 1.00 0.00 O ATOM 747 CB LEU A 50 8.743 5.239 7.710 1.00 0.00 C ATOM 748 CG LEU A 50 9.579 6.168 6.828 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.742 6.709 5.679 1.00 0.00 C ATOM 750 CD2 LEU A 50 10.157 7.309 7.653 1.00 0.00 C ATOM 0 H LEU A 50 7.836 2.991 8.188 1.00 0.00 H new ATOM 0 HA LEU A 50 10.407 3.898 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.024 4.719 7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.170 5.851 8.407 1.00 0.00 H new ATOM 0 HG LEU A 50 10.406 5.594 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.353 7.368 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.377 5.880 5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.895 7.268 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.749 7.960 7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.345 7.882 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.792 6.903 8.441 1.00 0.00 H new ATOM 762 N ALA A 51 9.171 4.581 10.882 1.00 0.00 N ATOM 763 CA ALA A 51 9.490 5.095 12.208 1.00 0.00 C ATOM 764 C ALA A 51 10.552 4.238 12.889 1.00 0.00 C ATOM 765 O ALA A 51 11.377 4.743 13.650 1.00 0.00 O ATOM 766 CB ALA A 51 8.233 5.160 13.064 1.00 0.00 C ATOM 0 H ALA A 51 8.297 4.057 10.831 1.00 0.00 H new ATOM 0 HA ALA A 51 9.892 6.102 12.094 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.485 5.546 14.052 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.505 5.820 12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.808 4.161 13.162 1.00 0.00 H new ATOM 772 N SER A 52 10.525 2.938 12.610 1.00 0.00 N ATOM 773 CA SER A 52 11.483 2.010 13.198 1.00 0.00 C ATOM 774 C SER A 52 12.363 1.382 12.122 1.00 0.00 C ATOM 775 O SER A 52 12.749 0.218 12.222 1.00 0.00 O ATOM 776 CB SER A 52 10.752 0.916 13.978 1.00 0.00 C ATOM 777 OG SER A 52 11.608 0.311 14.932 1.00 0.00 O ATOM 0 H SER A 52 9.850 2.504 11.980 1.00 0.00 H new ATOM 0 HA SER A 52 12.121 2.570 13.882 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.884 1.342 14.482 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.380 0.159 13.287 1.00 0.00 H new ATOM 0 HG SER A 52 12.422 -0.005 14.487 1.00 0.00 H new ATOM 783 N SER A 53 12.677 2.163 11.093 1.00 0.00 N ATOM 784 CA SER A 53 13.508 1.684 9.995 1.00 0.00 C ATOM 785 C SER A 53 14.528 2.742 9.584 1.00 0.00 C ATOM 786 O SER A 53 14.630 3.797 10.210 1.00 0.00 O ATOM 787 CB SER A 53 12.637 1.306 8.796 1.00 0.00 C ATOM 788 OG SER A 53 12.203 -0.040 8.885 1.00 0.00 O ATOM 0 H SER A 53 12.368 3.130 10.997 1.00 0.00 H new ATOM 0 HA SER A 53 14.046 0.800 10.338 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.772 1.968 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.200 1.450 7.874 1.00 0.00 H new ATOM 0 HG SER A 53 11.647 -0.256 8.108 1.00 0.00 H new ATOM 794 N ILE A 54 15.280 2.450 8.528 1.00 0.00 N ATOM 795 CA ILE A 54 16.291 3.376 8.032 1.00 0.00 C ATOM 796 C ILE A 54 15.656 4.506 7.230 1.00 0.00 C ATOM 797 O ILE A 54 14.433 4.624 7.166 1.00 0.00 O ATOM 798 CB ILE A 54 17.329 2.656 7.151 1.00 0.00 C ATOM 799 CG1 ILE A 54 17.385 1.168 7.502 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.700 3.297 7.317 1.00 0.00 C ATOM 801 CD1 ILE A 54 18.573 0.450 6.902 1.00 0.00 C ATOM 0 H ILE A 54 15.208 1.580 8.000 1.00 0.00 H new ATOM 0 HA ILE A 54 16.793 3.792 8.905 1.00 0.00 H new ATOM 0 HB ILE A 54 17.028 2.752 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 54 17.415 1.060 8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 54 16.469 0.687 7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.423 2.777 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 54 18.650 4.345 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.010 3.228 8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.548 -0.600 7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.534 0.527 5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.495 0.905 7.265 1.00 0.00 H new ATOM 813 N ASN A 55 16.495 5.334 6.617 1.00 0.00 N ATOM 814 CA ASN A 55 16.016 6.455 5.817 1.00 0.00 C ATOM 815 C ASN A 55 14.874 6.021 4.902 1.00 0.00 C ATOM 816 O ASN A 55 14.110 6.850 4.409 1.00 0.00 O ATOM 817 CB ASN A 55 17.158 7.040 4.983 1.00 0.00 C ATOM 818 CG ASN A 55 17.913 5.975 4.210 1.00 0.00 C ATOM 819 OD1 ASN A 55 17.224 5.313 3.288 1.00 0.00 O flip ATOM 820 ND2 ASN A 55 19.102 5.752 4.440 1.00 0.00 N flip ATOM 0 H ASN A 55 17.511 5.250 6.659 1.00 0.00 H new ATOM 0 HA ASN A 55 15.643 7.221 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.756 7.775 4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 55 17.850 7.568 5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.591 6.286 5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 55 19.598 5.033 3.912 1.00 0.00 H new ATOM 827 N GLY A 56 14.765 4.715 4.680 1.00 0.00 N ATOM 828 CA GLY A 56 13.714 4.193 3.825 1.00 0.00 C ATOM 829 C GLY A 56 12.696 3.374 4.593 1.00 0.00 C ATOM 830 O GLY A 56 12.413 3.656 5.758 1.00 0.00 O ATOM 0 H GLY A 56 15.385 4.009 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.209 5.021 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.158 3.576 3.044 1.00 0.00 H new ATOM 834 N VAL A 57 12.141 2.359 3.940 1.00 0.00 N ATOM 835 CA VAL A 57 11.147 1.497 4.568 1.00 0.00 C ATOM 836 C VAL A 57 11.307 0.050 4.114 1.00 0.00 C ATOM 837 O VAL A 57 11.006 -0.289 2.970 1.00 0.00 O ATOM 838 CB VAL A 57 9.715 1.967 4.250 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.694 1.069 4.933 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.526 3.417 4.668 1.00 0.00 C ATOM 0 H VAL A 57 12.363 2.113 2.975 1.00 0.00 H new ATOM 0 HA VAL A 57 11.311 1.557 5.644 1.00 0.00 H new ATOM 0 HB VAL A 57 9.559 1.900 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.688 1.416 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.816 0.045 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.845 1.101 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.509 3.733 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.700 3.512 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.233 4.046 4.128 1.00 0.00 H new ATOM 850 N ARG A 58 11.784 -0.799 5.019 1.00 0.00 N ATOM 851 CA ARG A 58 11.985 -2.209 4.711 1.00 0.00 C ATOM 852 C ARG A 58 10.649 -2.932 4.571 1.00 0.00 C ATOM 853 O ARG A 58 9.929 -3.124 5.551 1.00 0.00 O ATOM 854 CB ARG A 58 12.826 -2.876 5.802 1.00 0.00 C ATOM 855 CG ARG A 58 13.085 -4.353 5.553 1.00 0.00 C ATOM 856 CD ARG A 58 14.068 -4.924 6.564 1.00 0.00 C ATOM 857 NE ARG A 58 13.431 -5.204 7.848 1.00 0.00 N ATOM 858 CZ ARG A 58 12.729 -6.305 8.095 1.00 0.00 C ATOM 859 NH1 ARG A 58 12.576 -7.223 7.151 1.00 0.00 N ATOM 860 NH2 ARG A 58 12.180 -6.489 9.289 1.00 0.00 N ATOM 0 H ARG A 58 12.038 -0.534 5.971 1.00 0.00 H new ATOM 0 HA ARG A 58 12.515 -2.275 3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.781 -2.357 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.320 -2.761 6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.145 -4.903 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.477 -4.490 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.504 -5.841 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.887 -4.220 6.711 1.00 0.00 H new ATOM 0 HE ARG A 58 13.530 -4.517 8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.998 -7.085 6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.037 -8.067 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.297 -5.785 10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.641 -7.334 9.478 1.00 0.00 H new ATOM 874 N CYS A 59 10.322 -3.329 3.346 1.00 0.00 N ATOM 875 CA CYS A 59 9.072 -4.029 3.075 1.00 0.00 C ATOM 876 C CYS A 59 9.048 -5.387 3.771 1.00 0.00 C ATOM 877 O CYS A 59 9.942 -6.216 3.601 1.00 0.00 O ATOM 878 CB CYS A 59 8.882 -4.213 1.568 1.00 0.00 C ATOM 879 SG CYS A 59 7.309 -5.009 1.110 1.00 0.00 S ATOM 0 H CYS A 59 10.906 -3.178 2.524 1.00 0.00 H new ATOM 0 HA CYS A 59 8.254 -3.424 3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.938 -3.238 1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.706 -4.811 1.179 1.00 0.00 H new ATOM 884 N PRO A 60 8.000 -5.621 4.575 1.00 0.00 N ATOM 885 CA PRO A 60 7.833 -6.877 5.312 1.00 0.00 C ATOM 886 C PRO A 60 7.515 -8.051 4.393 1.00 0.00 C ATOM 887 O PRO A 60 7.273 -9.167 4.854 1.00 0.00 O ATOM 888 CB PRO A 60 6.649 -6.589 6.240 1.00 0.00 C ATOM 889 CG PRO A 60 5.880 -5.516 5.550 1.00 0.00 C ATOM 890 CD PRO A 60 6.897 -4.678 4.825 1.00 0.00 C ATOM 0 HA PRO A 60 8.744 -7.165 5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.038 -7.479 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.987 -6.264 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.157 -5.940 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.319 -4.916 6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.496 -4.274 3.896 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.222 -3.830 5.428 1.00 0.00 H new ATOM 898 N PHE A 61 7.518 -7.794 3.089 1.00 0.00 N ATOM 899 CA PHE A 61 7.230 -8.830 2.104 1.00 0.00 C ATOM 900 C PHE A 61 8.489 -9.211 1.331 1.00 0.00 C ATOM 901 O PHE A 61 8.896 -10.373 1.318 1.00 0.00 O ATOM 902 CB PHE A 61 6.147 -8.354 1.134 1.00 0.00 C ATOM 903 CG PHE A 61 4.845 -8.020 1.805 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.206 -8.952 2.607 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.261 -6.776 1.634 1.00 0.00 C ATOM 906 CE1 PHE A 61 3.008 -8.648 3.225 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.063 -6.466 2.250 1.00 0.00 C ATOM 908 CZ PHE A 61 2.437 -7.403 3.048 1.00 0.00 C ATOM 0 H PHE A 61 7.717 -6.877 2.690 1.00 0.00 H new ATOM 0 HA PHE A 61 6.871 -9.711 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.508 -7.474 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.973 -9.129 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.649 -9.926 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.747 -6.039 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.518 -9.384 3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.617 -5.493 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.502 -7.163 3.533 1.00 0.00 H new ATOM 918 N CYS A 62 9.102 -8.224 0.687 1.00 0.00 N ATOM 919 CA CYS A 62 10.314 -8.453 -0.090 1.00 0.00 C ATOM 920 C CYS A 62 11.533 -7.870 0.619 1.00 0.00 C ATOM 921 O CYS A 62 12.673 -8.195 0.285 1.00 0.00 O ATOM 922 CB CYS A 62 10.177 -7.837 -1.483 1.00 0.00 C ATOM 923 SG CYS A 62 9.865 -6.042 -1.475 1.00 0.00 S ATOM 0 H CYS A 62 8.779 -7.257 0.688 1.00 0.00 H new ATOM 0 HA CYS A 62 10.454 -9.529 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 62 11.089 -8.034 -2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.363 -8.334 -2.010 1.00 0.00 H new ATOM 928 N SER A 63 11.284 -7.006 1.598 1.00 0.00 N ATOM 929 CA SER A 63 12.361 -6.374 2.352 1.00 0.00 C ATOM 930 C SER A 63 13.275 -5.576 1.427 1.00 0.00 C ATOM 931 O SER A 63 14.496 -5.738 1.450 1.00 0.00 O ATOM 932 CB SER A 63 13.173 -7.429 3.104 1.00 0.00 C ATOM 933 OG SER A 63 12.331 -8.258 3.887 1.00 0.00 O ATOM 0 H SER A 63 10.346 -6.728 1.888 1.00 0.00 H new ATOM 0 HA SER A 63 11.914 -5.689 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.730 -8.039 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.905 -6.939 3.746 1.00 0.00 H new ATOM 0 HG SER A 63 11.460 -7.824 4.001 1.00 0.00 H new ATOM 939 N LYS A 64 12.676 -4.713 0.613 1.00 0.00 N ATOM 940 CA LYS A 64 13.434 -3.887 -0.319 1.00 0.00 C ATOM 941 C LYS A 64 13.319 -2.410 0.044 1.00 0.00 C ATOM 942 O LYS A 64 12.387 -1.728 -0.381 1.00 0.00 O ATOM 943 CB LYS A 64 12.939 -4.112 -1.750 1.00 0.00 C ATOM 944 CG LYS A 64 13.445 -5.401 -2.374 1.00 0.00 C ATOM 945 CD LYS A 64 12.854 -5.621 -3.756 1.00 0.00 C ATOM 946 CE LYS A 64 13.163 -7.015 -4.279 1.00 0.00 C ATOM 947 NZ LYS A 64 12.626 -7.224 -5.652 1.00 0.00 N ATOM 0 H LYS A 64 11.667 -4.568 0.580 1.00 0.00 H new ATOM 0 HA LYS A 64 14.482 -4.178 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.849 -4.121 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.251 -3.271 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.532 -5.370 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.190 -6.243 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.774 -5.477 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.251 -4.876 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.242 -7.170 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.737 -7.758 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.857 -8.186 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.593 -7.101 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.052 -6.531 -6.300 1.00 0.00 H new ATOM 961 N ILE A 65 14.273 -1.924 0.831 1.00 0.00 N ATOM 962 CA ILE A 65 14.279 -0.527 1.249 1.00 0.00 C ATOM 963 C ILE A 65 13.671 0.370 0.176 1.00 0.00 C ATOM 964 O ILE A 65 14.121 0.380 -0.970 1.00 0.00 O ATOM 965 CB ILE A 65 15.706 -0.039 1.562 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.366 -0.955 2.595 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.677 1.398 2.061 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.603 -1.042 3.899 1.00 0.00 C ATOM 0 H ILE A 65 15.051 -2.476 1.192 1.00 0.00 H new ATOM 0 HA ILE A 65 13.676 -0.466 2.155 1.00 0.00 H new ATOM 0 HB ILE A 65 16.295 -0.072 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.463 -1.955 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.375 -0.595 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.693 1.728 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.242 2.040 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.075 1.456 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.128 -1.708 4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.528 -0.050 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.603 -1.431 3.710 1.00 0.00 H new ATOM 980 N THR A 66 12.645 1.125 0.556 1.00 0.00 N ATOM 981 CA THR A 66 11.975 2.027 -0.373 1.00 0.00 C ATOM 982 C THR A 66 12.849 3.234 -0.694 1.00 0.00 C ATOM 983 O THR A 66 12.767 3.799 -1.785 1.00 0.00 O ATOM 984 CB THR A 66 10.629 2.518 0.193 1.00 0.00 C ATOM 985 OG1 THR A 66 9.959 1.445 0.864 1.00 0.00 O ATOM 986 CG2 THR A 66 9.742 3.063 -0.916 1.00 0.00 C ATOM 0 H THR A 66 12.260 1.130 1.500 1.00 0.00 H new ATOM 0 HA THR A 66 11.792 1.461 -1.286 1.00 0.00 H new ATOM 0 HB THR A 66 10.829 3.320 0.903 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.936 0.658 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.797 3.404 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.243 3.899 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.549 2.278 -1.647 1.00 0.00 H new ATOM 994 N ARG A 67 13.686 3.624 0.261 1.00 0.00 N ATOM 995 CA ARG A 67 14.576 4.765 0.079 1.00 0.00 C ATOM 996 C ARG A 67 13.778 6.053 -0.097 1.00 0.00 C ATOM 997 O ARG A 67 13.951 6.772 -1.081 1.00 0.00 O ATOM 998 CB ARG A 67 15.482 4.544 -1.134 1.00 0.00 C ATOM 999 CG ARG A 67 16.787 3.840 -0.799 1.00 0.00 C ATOM 1000 CD ARG A 67 17.790 4.796 -0.173 1.00 0.00 C ATOM 1001 NE ARG A 67 18.672 5.395 -1.171 1.00 0.00 N ATOM 1002 CZ ARG A 67 19.249 6.582 -1.024 1.00 0.00 C ATOM 1003 NH1 ARG A 67 19.038 7.294 0.074 1.00 0.00 N ATOM 1004 NH2 ARG A 67 20.039 7.060 -1.977 1.00 0.00 N ATOM 0 H ARG A 67 13.767 3.167 1.169 1.00 0.00 H new ATOM 0 HA ARG A 67 15.193 4.859 0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.943 3.957 -1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 67 15.706 5.508 -1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 67 16.591 3.016 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.211 3.407 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.257 5.584 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 67 18.388 4.262 0.565 1.00 0.00 H new ATOM 0 HE ARG A 67 18.855 4.873 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.431 6.930 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.483 8.205 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.204 6.516 -2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.482 7.972 -1.863 1.00 0.00 H new ATOM 1018 N ILE A 68 12.904 6.338 0.863 1.00 0.00 N ATOM 1019 CA ILE A 68 12.081 7.540 0.814 1.00 0.00 C ATOM 1020 C ILE A 68 12.010 8.214 2.180 1.00 0.00 C ATOM 1021 O ILE A 68 11.579 7.609 3.163 1.00 0.00 O ATOM 1022 CB ILE A 68 10.651 7.223 0.336 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.093 6.015 1.090 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.639 6.971 -1.164 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.633 6.154 1.459 1.00 0.00 C ATOM 0 H ILE A 68 12.748 5.753 1.684 1.00 0.00 H new ATOM 0 HA ILE A 68 12.553 8.217 0.102 1.00 0.00 H new ATOM 0 HB ILE A 68 10.014 8.083 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.221 5.123 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.676 5.863 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.622 6.748 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.999 7.858 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.287 6.126 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.306 5.261 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.501 7.026 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.039 6.275 0.553 1.00 0.00 H new ATOM 1037 N THR A 69 12.436 9.472 2.236 1.00 0.00 N ATOM 1038 CA THR A 69 12.421 10.229 3.481 1.00 0.00 C ATOM 1039 C THR A 69 10.993 10.506 3.939 1.00 0.00 C ATOM 1040 O THR A 69 10.701 10.492 5.135 1.00 0.00 O ATOM 1041 CB THR A 69 13.169 11.568 3.334 1.00 0.00 C ATOM 1042 OG1 THR A 69 12.263 12.592 2.909 1.00 0.00 O ATOM 1043 CG2 THR A 69 14.307 11.444 2.332 1.00 0.00 C ATOM 0 H THR A 69 12.796 9.988 1.433 1.00 0.00 H new ATOM 0 HA THR A 69 12.928 9.618 4.228 1.00 0.00 H new ATOM 0 HB THR A 69 13.587 11.834 4.305 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.746 13.440 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.821 12.401 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.011 10.684 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.906 11.157 1.360 1.00 0.00 H new ATOM 1051 N SER A 70 10.108 10.758 2.980 1.00 0.00 N ATOM 1052 CA SER A 70 8.710 11.041 3.286 1.00 0.00 C ATOM 1053 C SER A 70 7.809 9.904 2.814 1.00 0.00 C ATOM 1054 O SER A 70 8.238 9.029 2.059 1.00 0.00 O ATOM 1055 CB SER A 70 8.279 12.354 2.630 1.00 0.00 C ATOM 1056 OG SER A 70 7.260 12.990 3.383 1.00 0.00 O ATOM 0 H SER A 70 10.334 10.772 1.985 1.00 0.00 H new ATOM 0 HA SER A 70 8.612 11.133 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.138 13.019 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.921 12.159 1.619 1.00 0.00 H new ATOM 0 HG SER A 70 7.003 13.828 2.944 1.00 0.00 H new ATOM 1062 N LEU A 71 6.559 9.922 3.263 1.00 0.00 N ATOM 1063 CA LEU A 71 5.596 8.893 2.887 1.00 0.00 C ATOM 1064 C LEU A 71 5.108 9.100 1.457 1.00 0.00 C ATOM 1065 O LEU A 71 4.684 8.155 0.791 1.00 0.00 O ATOM 1066 CB LEU A 71 4.408 8.903 3.850 1.00 0.00 C ATOM 1067 CG LEU A 71 4.751 8.941 5.340 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.536 9.351 6.158 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.276 7.589 5.801 1.00 0.00 C ATOM 0 H LEU A 71 6.188 10.638 3.888 1.00 0.00 H new ATOM 0 HA LEU A 71 6.094 7.925 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.786 9.768 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.804 8.016 3.659 1.00 0.00 H new ATOM 0 HG LEU A 71 5.534 9.684 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.800 9.372 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.205 10.342 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.731 8.633 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.515 7.635 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.515 6.827 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.174 7.336 5.238 1.00 0.00 H new ATOM 1081 N THR A 72 5.173 10.343 0.989 1.00 0.00 N ATOM 1082 CA THR A 72 4.738 10.675 -0.362 1.00 0.00 C ATOM 1083 C THR A 72 5.855 10.435 -1.372 1.00 0.00 C ATOM 1084 O THR A 72 5.596 10.105 -2.529 1.00 0.00 O ATOM 1085 CB THR A 72 4.278 12.141 -0.460 1.00 0.00 C ATOM 1086 OG1 THR A 72 3.801 12.418 -1.782 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.417 13.090 -0.118 1.00 0.00 C ATOM 0 H THR A 72 5.523 11.136 1.526 1.00 0.00 H new ATOM 0 HA THR A 72 3.896 10.023 -0.593 1.00 0.00 H new ATOM 0 HB THR A 72 3.471 12.294 0.257 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.509 13.352 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.068 14.120 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.759 12.897 0.899 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.242 12.934 -0.813 1.00 0.00 H new ATOM 1095 N GLN A 73 7.096 10.603 -0.927 1.00 0.00 N ATOM 1096 CA GLN A 73 8.251 10.405 -1.794 1.00 0.00 C ATOM 1097 C GLN A 73 8.091 9.143 -2.635 1.00 0.00 C ATOM 1098 O GLN A 73 8.221 9.179 -3.859 1.00 0.00 O ATOM 1099 CB GLN A 73 9.531 10.318 -0.961 1.00 0.00 C ATOM 1100 CG GLN A 73 10.195 11.665 -0.724 1.00 0.00 C ATOM 1101 CD GLN A 73 11.000 12.137 -1.918 1.00 0.00 C ATOM 1102 OE1 GLN A 73 10.464 12.762 -2.834 1.00 0.00 O ATOM 1103 NE2 GLN A 73 12.294 11.841 -1.915 1.00 0.00 N ATOM 0 H GLN A 73 7.327 10.876 0.028 1.00 0.00 H new ATOM 0 HA GLN A 73 8.320 11.261 -2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.298 9.863 0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.237 9.657 -1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.431 12.406 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.849 11.596 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.696 11.321 -1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.886 12.133 -2.693 1.00 0.00 H new ATOM 1112 N LEU A 74 7.808 8.028 -1.970 1.00 0.00 N ATOM 1113 CA LEU A 74 7.629 6.753 -2.657 1.00 0.00 C ATOM 1114 C LEU A 74 6.591 6.872 -3.767 1.00 0.00 C ATOM 1115 O LEU A 74 6.091 7.962 -4.050 1.00 0.00 O ATOM 1116 CB LEU A 74 7.207 5.670 -1.662 1.00 0.00 C ATOM 1117 CG LEU A 74 6.047 6.029 -0.732 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.716 5.853 -1.446 1.00 0.00 C ATOM 1119 CD2 LEU A 74 6.094 5.181 0.531 1.00 0.00 C ATOM 0 H LEU A 74 7.698 7.981 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 74 8.582 6.474 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.934 4.776 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.071 5.411 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 74 6.146 7.076 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.903 6.113 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.683 6.504 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.607 4.816 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.261 5.450 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.020 4.127 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.034 5.358 1.053 1.00 0.00 H new ATOM 1131 N THR A 75 6.268 5.744 -4.393 1.00 0.00 N ATOM 1132 CA THR A 75 5.288 5.722 -5.471 1.00 0.00 C ATOM 1133 C THR A 75 3.868 5.649 -4.922 1.00 0.00 C ATOM 1134 O THR A 75 3.589 4.889 -3.994 1.00 0.00 O ATOM 1135 CB THR A 75 5.522 4.530 -6.418 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.830 4.613 -6.996 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.475 4.503 -7.522 1.00 0.00 C ATOM 0 H THR A 75 6.671 4.834 -4.171 1.00 0.00 H new ATOM 0 HA THR A 75 5.411 6.650 -6.029 1.00 0.00 H new ATOM 0 HB THR A 75 5.439 3.611 -5.838 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.972 3.851 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.660 3.653 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.483 4.411 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.531 5.426 -8.099 1.00 0.00 H new ATOM 1145 N ASP A 76 2.973 6.443 -5.501 1.00 0.00 N ATOM 1146 CA ASP A 76 1.580 6.466 -5.070 1.00 0.00 C ATOM 1147 C ASP A 76 0.806 5.296 -5.669 1.00 0.00 C ATOM 1148 O ASP A 76 1.073 4.874 -6.794 1.00 0.00 O ATOM 1149 CB ASP A 76 0.922 7.788 -5.471 1.00 0.00 C ATOM 1150 CG ASP A 76 1.641 8.991 -4.892 1.00 0.00 C ATOM 1151 OD1 ASP A 76 2.145 8.890 -3.754 1.00 0.00 O ATOM 1152 OD2 ASP A 76 1.699 10.033 -5.578 1.00 0.00 O ATOM 0 H ASP A 76 3.187 7.079 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 76 1.560 6.373 -3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.905 7.867 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.115 7.791 -5.135 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.153 4.776 -4.910 1.00 0.00 N ATOM 1158 CA ASN A 77 -0.964 3.654 -5.365 1.00 0.00 C ATOM 1159 C ASN A 77 -2.432 4.054 -5.477 1.00 0.00 C ATOM 1160 O ASN A 77 -3.277 3.577 -4.718 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.818 2.470 -4.407 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.556 1.238 -4.894 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -2.747 1.070 -4.631 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -0.850 0.368 -5.607 1.00 0.00 N ATOM 0 H ASN A 77 -0.387 5.114 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.610 3.359 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.239 2.233 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.196 2.752 -3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.293 -0.480 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.135 0.548 -5.801 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.730 4.932 -6.429 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.096 5.396 -6.641 1.00 0.00 C ATOM 1173 C LEU A 78 -4.892 4.389 -7.465 1.00 0.00 C ATOM 1174 O LEU A 78 -5.984 4.689 -7.949 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.090 6.755 -7.343 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.182 6.874 -8.568 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.783 7.302 -8.155 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.137 5.557 -9.328 1.00 0.00 C ATOM 0 H LEU A 78 -2.044 5.337 -7.066 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.574 5.499 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.110 6.989 -7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.792 7.514 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.593 7.637 -9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.151 7.381 -9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.831 8.269 -7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.362 6.562 -7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.486 5.660 -10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.751 4.774 -8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.142 5.292 -9.657 1.00 0.00 H new ATOM 1190 N THR A 79 -4.339 3.190 -7.620 1.00 0.00 N ATOM 1191 CA THR A 79 -4.996 2.137 -8.384 1.00 0.00 C ATOM 1192 C THR A 79 -6.140 1.515 -7.591 1.00 0.00 C ATOM 1193 O THR A 79 -7.154 1.110 -8.159 1.00 0.00 O ATOM 1194 CB THR A 79 -4.004 1.030 -8.785 1.00 0.00 C ATOM 1195 OG1 THR A 79 -4.671 0.034 -9.568 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.387 0.384 -7.553 1.00 0.00 C ATOM 0 H THR A 79 -3.437 2.924 -7.226 1.00 0.00 H new ATOM 0 HA THR A 79 -5.393 2.603 -9.286 1.00 0.00 H new ATOM 0 HB THR A 79 -3.208 1.483 -9.376 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.033 -0.666 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.690 -0.395 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.855 1.139 -6.974 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.174 -0.055 -6.940 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.972 1.444 -6.274 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.991 0.873 -5.403 1.00 0.00 C ATOM 1206 C VAL A 80 -8.150 1.844 -5.203 1.00 0.00 C ATOM 1207 O VAL A 80 -9.292 1.431 -4.996 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.408 0.497 -4.028 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.456 -0.682 -4.156 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.707 1.693 -3.401 1.00 0.00 C ATOM 0 H VAL A 80 -5.139 1.775 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.357 -0.029 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.228 0.202 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.054 -0.933 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.993 -1.541 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.638 -0.418 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.301 1.409 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.896 2.021 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.421 2.507 -3.272 1.00 0.00 H new ATOM 1220 N LEU A 81 -7.849 3.136 -5.266 1.00 0.00 N ATOM 1221 CA LEU A 81 -8.866 4.168 -5.093 1.00 0.00 C ATOM 1222 C LEU A 81 -9.753 4.271 -6.329 1.00 0.00 C ATOM 1223 O LEU A 81 -10.965 4.463 -6.223 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.207 5.519 -4.810 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.322 5.586 -3.565 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.371 6.770 -3.649 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -8.176 5.674 -2.308 1.00 0.00 C ATOM 0 H LEU A 81 -6.909 3.494 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.490 3.890 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.604 5.795 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.991 6.270 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.729 4.673 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.749 6.801 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.736 6.665 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.945 7.693 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.530 5.721 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.795 6.570 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.816 4.794 -2.240 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.142 4.140 -7.502 1.00 0.00 N ATOM 1240 CA LYS A 82 -9.876 4.215 -8.760 1.00 0.00 C ATOM 1241 C LYS A 82 -10.609 2.906 -9.041 1.00 0.00 C ATOM 1242 O LYS A 82 -10.319 1.878 -8.430 1.00 0.00 O ATOM 1243 CB LYS A 82 -8.922 4.535 -9.913 1.00 0.00 C ATOM 1244 CG LYS A 82 -8.703 6.023 -10.125 1.00 0.00 C ATOM 1245 CD LYS A 82 -9.710 6.600 -11.105 1.00 0.00 C ATOM 1246 CE LYS A 82 -11.003 6.994 -10.409 1.00 0.00 C ATOM 1247 NZ LYS A 82 -11.891 7.794 -11.297 1.00 0.00 N ATOM 0 H LYS A 82 -8.140 3.981 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.613 5.013 -8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.961 4.058 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.316 4.100 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.783 6.543 -9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.693 6.194 -10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.281 7.472 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.923 5.867 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.528 6.096 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.772 7.570 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.761 8.042 -10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.400 8.664 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.133 7.236 -12.140 1.00 0.00 H new ATOM 1261 N SER A 83 -11.557 2.953 -9.971 1.00 0.00 N ATOM 1262 CA SER A 83 -12.333 1.771 -10.331 1.00 0.00 C ATOM 1263 C SER A 83 -11.572 0.908 -11.333 1.00 0.00 C ATOM 1264 O SER A 83 -11.235 1.357 -12.427 1.00 0.00 O ATOM 1265 CB SER A 83 -13.685 2.182 -10.918 1.00 0.00 C ATOM 1266 OG SER A 83 -14.513 1.052 -11.130 1.00 0.00 O ATOM 0 H SER A 83 -11.807 3.796 -10.489 1.00 0.00 H new ATOM 0 HA SER A 83 -12.501 1.186 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.181 2.879 -10.243 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.531 2.706 -11.861 1.00 0.00 H new ATOM 0 HG SER A 83 -15.372 1.341 -11.504 1.00 0.00 H new ATOM 1272 N GLY A 84 -11.306 -0.337 -10.949 1.00 0.00 N ATOM 1273 CA GLY A 84 -10.587 -1.246 -11.824 1.00 0.00 C ATOM 1274 C GLY A 84 -11.219 -1.348 -13.198 1.00 0.00 C ATOM 1275 O GLY A 84 -12.439 -1.429 -13.340 1.00 0.00 O ATOM 0 H GLY A 84 -11.575 -0.732 -10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.556 -0.908 -11.926 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.555 -2.235 -11.368 1.00 0.00 H new ATOM 1279 N PRO A 85 -10.376 -1.343 -14.242 1.00 0.00 N ATOM 1280 CA PRO A 85 -10.837 -1.434 -15.631 1.00 0.00 C ATOM 1281 C PRO A 85 -11.400 -2.811 -15.966 1.00 0.00 C ATOM 1282 O PRO A 85 -10.933 -3.826 -15.448 1.00 0.00 O ATOM 1283 CB PRO A 85 -9.569 -1.163 -16.444 1.00 0.00 C ATOM 1284 CG PRO A 85 -8.450 -1.562 -15.544 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.910 -1.249 -14.147 1.00 0.00 C ATOM 0 HA PRO A 85 -11.649 -0.737 -15.837 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.560 -1.742 -17.368 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.496 -0.112 -16.725 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.222 -2.622 -15.651 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.540 -1.014 -15.787 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.508 -1.958 -13.423 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.591 -0.256 -13.832 1.00 0.00 H new ATOM 1293 N SER A 86 -12.405 -2.839 -16.836 1.00 0.00 N ATOM 1294 CA SER A 86 -13.033 -4.092 -17.237 1.00 0.00 C ATOM 1295 C SER A 86 -12.446 -4.599 -18.551 1.00 0.00 C ATOM 1296 O SER A 86 -13.053 -4.455 -19.612 1.00 0.00 O ATOM 1297 CB SER A 86 -14.545 -3.906 -17.380 1.00 0.00 C ATOM 1298 OG SER A 86 -14.847 -2.877 -18.307 1.00 0.00 O ATOM 0 H SER A 86 -12.801 -2.009 -17.276 1.00 0.00 H new ATOM 0 HA SER A 86 -12.836 -4.832 -16.462 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.000 -4.840 -17.708 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.978 -3.664 -16.409 1.00 0.00 H new ATOM 0 HG SER A 86 -14.362 -3.037 -19.143 1.00 0.00 H new ATOM 1304 N SER A 87 -11.259 -5.192 -18.471 1.00 0.00 N ATOM 1305 CA SER A 87 -10.586 -5.717 -19.653 1.00 0.00 C ATOM 1306 C SER A 87 -11.560 -6.496 -20.532 1.00 0.00 C ATOM 1307 O SER A 87 -11.782 -6.148 -21.691 1.00 0.00 O ATOM 1308 CB SER A 87 -9.419 -6.617 -19.243 1.00 0.00 C ATOM 1309 OG SER A 87 -8.250 -5.856 -18.993 1.00 0.00 O ATOM 0 H SER A 87 -10.744 -5.321 -17.600 1.00 0.00 H new ATOM 0 HA SER A 87 -10.201 -4.874 -20.227 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.687 -7.181 -18.350 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.222 -7.344 -20.031 1.00 0.00 H new ATOM 0 HG SER A 87 -7.520 -6.455 -18.731 1.00 0.00 H new ATOM 1315 N GLY A 88 -12.138 -7.553 -19.971 1.00 0.00 N ATOM 1316 CA GLY A 88 -13.081 -8.366 -20.716 1.00 0.00 C ATOM 1317 C GLY A 88 -12.394 -9.331 -21.662 1.00 0.00 C ATOM 1318 O GLY A 88 -12.197 -10.489 -21.298 1.00 0.00 O ATOM 0 H GLY A 88 -11.970 -7.861 -19.013 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.703 -8.927 -20.018 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.746 -7.716 -21.285 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.738 -1.836 6.451 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.660 -5.399 -1.186 1.00 0.00 ZN