USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 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 20 SER OG : rot 104:sc= 0.0301 USER MOD Set 1.2: A 28 SER OG : rot -120:sc= -0.128 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -127:sc= 1.25 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.0053) USER MOD Single : A 25 CYS SG : rot 149:sc= 1.24 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.15 USER MOD Single : A 31 MET CE :methyl -137:sc= -0.31 (180deg=-1.53!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 51 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.057) USER MOD Single : A 54 ASN : amide:sc=-0.00771 X(o=-0.0077,f=-0.32) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 60 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-3.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -168:sc= 0.644 USER MOD Single : A 71 SER OG : rot 63:sc= 0.0841 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.01 F(o=-1.6!,f=-1) USER MOD Single : A 76 MET CE :methyl 163:sc= -0.588 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -4.693 -3.880 -17.355 1.00 0.00 N ATOM 2 CA PRO A 1 -3.909 -4.152 -16.119 1.00 0.00 C ATOM 3 C PRO A 1 -2.522 -3.505 -16.169 1.00 0.00 C ATOM 4 O PRO A 1 -1.578 -4.076 -16.717 1.00 0.00 O ATOM 5 CB PRO A 1 -3.790 -5.667 -15.976 1.00 0.00 C ATOM 6 CG PRO A 1 -4.629 -6.212 -17.084 1.00 0.00 C ATOM 7 CD PRO A 1 -4.707 -5.128 -18.133 1.00 0.00 C ATOM 0 H2 PRO A 1 -4.270 -3.123 -17.893 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.642 -3.587 -17.124 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.420 -3.719 -15.259 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.754 -5.994 -16.064 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -4.149 -6.004 -15.003 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -4.187 -7.119 -17.495 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -5.623 -6.476 -16.724 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -3.864 -5.178 -18.823 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.614 -5.216 -18.731 1.00 0.00 H new ATOM 17 N ARG A 2 -2.410 -2.307 -15.591 1.00 0.00 N ATOM 18 CA ARG A 2 -1.145 -1.577 -15.564 1.00 0.00 C ATOM 19 C ARG A 2 -0.592 -1.487 -14.142 1.00 0.00 C ATOM 20 O ARG A 2 -1.342 -1.569 -13.168 1.00 0.00 O ATOM 21 CB ARG A 2 -1.329 -0.169 -16.138 1.00 0.00 C ATOM 22 CG ARG A 2 -1.991 -0.143 -17.507 1.00 0.00 C ATOM 23 CD ARG A 2 -1.915 1.239 -18.139 1.00 0.00 C ATOM 24 NE ARG A 2 -0.665 1.441 -18.874 1.00 0.00 N ATOM 25 CZ ARG A 2 -0.189 2.639 -19.221 1.00 0.00 C ATOM 26 NH1 ARG A 2 -0.852 3.747 -18.904 1.00 0.00 N ATOM 27 NH2 ARG A 2 0.956 2.729 -19.887 1.00 0.00 N ATOM 0 H ARG A 2 -3.183 -1.823 -15.135 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.431 -2.125 -16.179 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.929 0.420 -15.444 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.355 0.315 -16.207 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.507 -0.869 -18.160 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.034 -0.444 -17.413 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.759 1.374 -18.816 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.005 1.998 -17.362 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.125 0.616 -19.137 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.732 3.686 -18.392 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.481 4.658 -19.173 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.471 1.883 -20.133 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.321 3.644 -20.153 1.00 0.00 H new ATOM 41 N VAL A 3 0.727 -1.316 -14.033 1.00 0.00 N ATOM 42 CA VAL A 3 1.383 -1.212 -12.729 1.00 0.00 C ATOM 43 C VAL A 3 1.465 0.242 -12.263 1.00 0.00 C ATOM 44 O VAL A 3 1.931 1.116 -12.997 1.00 0.00 O ATOM 45 CB VAL A 3 2.805 -1.828 -12.759 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.707 -1.085 -13.737 1.00 0.00 C ATOM 47 CG2 VAL A 3 3.417 -1.838 -11.364 1.00 0.00 C ATOM 0 H VAL A 3 1.360 -1.247 -14.830 1.00 0.00 H new ATOM 0 HA VAL A 3 0.773 -1.775 -12.022 1.00 0.00 H new ATOM 0 HB VAL A 3 2.716 -2.858 -13.103 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.698 -1.540 -13.736 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.282 -1.142 -14.739 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.787 -0.040 -13.436 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.415 -2.274 -11.408 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.484 -0.817 -10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.791 -2.430 -10.696 1.00 0.00 H new ATOM 57 N ARG A 4 1.006 0.495 -11.037 1.00 0.00 N ATOM 58 CA ARG A 4 1.028 1.840 -10.471 1.00 0.00 C ATOM 59 C ARG A 4 1.803 1.868 -9.153 1.00 0.00 C ATOM 60 O ARG A 4 1.518 1.093 -8.238 1.00 0.00 O ATOM 61 CB ARG A 4 -0.403 2.345 -10.253 1.00 0.00 C ATOM 62 CG ARG A 4 -0.469 3.718 -9.608 1.00 0.00 C ATOM 63 CD ARG A 4 -1.545 4.586 -10.241 1.00 0.00 C ATOM 64 NE ARG A 4 -1.434 5.985 -9.831 1.00 0.00 N ATOM 65 CZ ARG A 4 -1.997 7.006 -10.481 1.00 0.00 C ATOM 66 NH1 ARG A 4 -2.732 6.789 -11.568 1.00 0.00 N ATOM 67 NH2 ARG A 4 -1.830 8.248 -10.039 1.00 0.00 N ATOM 0 H ARG A 4 0.615 -0.215 -10.418 1.00 0.00 H new ATOM 0 HA ARG A 4 1.534 2.498 -11.177 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.918 2.378 -11.213 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.940 1.632 -9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.669 3.610 -8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.498 4.211 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.472 4.520 -11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.528 4.204 -9.964 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.891 6.195 -8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.868 5.838 -11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.159 7.574 -12.060 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.272 8.421 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.260 9.028 -10.536 1.00 0.00 H new ATOM 81 N SER A 5 2.780 2.770 -9.063 1.00 0.00 N ATOM 82 CA SER A 5 3.594 2.904 -7.856 1.00 0.00 C ATOM 83 C SER A 5 3.076 4.042 -6.977 1.00 0.00 C ATOM 84 O SER A 5 3.017 5.193 -7.414 1.00 0.00 O ATOM 85 CB SER A 5 5.061 3.156 -8.218 1.00 0.00 C ATOM 86 OG SER A 5 5.437 2.431 -9.378 1.00 0.00 O ATOM 0 H SER A 5 3.027 3.418 -9.811 1.00 0.00 H new ATOM 0 HA SER A 5 3.523 1.969 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.219 4.221 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.699 2.867 -7.383 1.00 0.00 H new ATOM 0 HG SER A 5 6.377 2.612 -9.587 1.00 0.00 H new ATOM 92 N VAL A 6 2.703 3.712 -5.743 1.00 0.00 N ATOM 93 CA VAL A 6 2.190 4.706 -4.804 1.00 0.00 C ATOM 94 C VAL A 6 3.139 4.887 -3.621 1.00 0.00 C ATOM 95 O VAL A 6 3.580 3.912 -3.010 1.00 0.00 O ATOM 96 CB VAL A 6 0.792 4.321 -4.277 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.186 5.462 -3.470 1.00 0.00 C ATOM 98 CG2 VAL A 6 -0.127 3.925 -5.426 1.00 0.00 C ATOM 0 H VAL A 6 2.746 2.764 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 6 2.113 5.645 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 6 0.903 3.460 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.799 5.169 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.831 5.690 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.092 6.345 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.107 3.657 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.229 4.763 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.298 3.071 -5.954 1.00 0.00 H new ATOM 108 N GLU A 7 3.447 6.145 -3.302 1.00 0.00 N ATOM 109 CA GLU A 7 4.343 6.462 -2.195 1.00 0.00 C ATOM 110 C GLU A 7 3.604 7.225 -1.097 1.00 0.00 C ATOM 111 O GLU A 7 3.183 8.366 -1.298 1.00 0.00 O ATOM 112 CB GLU A 7 5.534 7.287 -2.695 1.00 0.00 C ATOM 113 CG GLU A 7 6.267 6.651 -3.866 1.00 0.00 C ATOM 114 CD GLU A 7 6.648 7.660 -4.933 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.767 8.044 -5.731 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.831 8.063 -4.970 1.00 0.00 O ATOM 0 H GLU A 7 3.087 6.961 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 7 4.709 5.525 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.182 8.275 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.236 7.432 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.167 6.156 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.637 5.880 -4.309 1.00 0.00 H new ATOM 123 N VAL A 8 3.446 6.590 0.064 1.00 0.00 N ATOM 124 CA VAL A 8 2.756 7.209 1.190 1.00 0.00 C ATOM 125 C VAL A 8 3.744 7.886 2.140 1.00 0.00 C ATOM 126 O VAL A 8 4.770 7.311 2.498 1.00 0.00 O ATOM 127 CB VAL A 8 1.919 6.181 1.985 1.00 0.00 C ATOM 128 CG1 VAL A 8 0.979 6.891 2.946 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.139 5.272 1.043 1.00 0.00 C ATOM 0 H VAL A 8 3.788 5.647 0.247 1.00 0.00 H new ATOM 0 HA VAL A 8 2.086 7.958 0.768 1.00 0.00 H new ATOM 0 HB VAL A 8 2.602 5.560 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.397 6.153 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.560 7.492 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.305 7.538 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.558 4.557 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.467 5.873 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.834 4.734 0.398 1.00 0.00 H new ATOM 139 N ALA A 9 3.414 9.111 2.544 1.00 0.00 N ATOM 140 CA ALA A 9 4.255 9.881 3.451 1.00 0.00 C ATOM 141 C ALA A 9 3.690 9.850 4.866 1.00 0.00 C ATOM 142 O ALA A 9 2.781 10.615 5.197 1.00 0.00 O ATOM 143 CB ALA A 9 4.381 11.317 2.963 1.00 0.00 C ATOM 0 H ALA A 9 2.563 9.592 2.253 1.00 0.00 H new ATOM 0 HA ALA A 9 5.247 9.429 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.012 11.881 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.829 11.326 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.393 11.775 2.920 1.00 0.00 H new ATOM 149 N ARG A 10 4.231 8.959 5.690 1.00 0.00 N ATOM 150 CA ARG A 10 3.789 8.816 7.079 1.00 0.00 C ATOM 151 C ARG A 10 3.700 10.178 7.769 1.00 0.00 C ATOM 152 O ARG A 10 4.702 10.884 7.898 1.00 0.00 O ATOM 153 CB ARG A 10 4.743 7.902 7.857 1.00 0.00 C ATOM 154 CG ARG A 10 4.095 7.217 9.051 1.00 0.00 C ATOM 155 CD ARG A 10 4.802 7.570 10.350 1.00 0.00 C ATOM 156 NE ARG A 10 4.830 6.444 11.283 1.00 0.00 N ATOM 157 CZ ARG A 10 3.800 6.080 12.050 1.00 0.00 C ATOM 158 NH1 ARG A 10 2.645 6.738 11.988 1.00 0.00 N ATOM 159 NH2 ARG A 10 3.922 5.049 12.880 1.00 0.00 N ATOM 0 H ARG A 10 4.980 8.321 5.422 1.00 0.00 H new ATOM 0 HA ARG A 10 2.796 8.366 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.135 7.142 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.593 8.489 8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.047 7.510 9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.115 6.137 8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.822 7.886 10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.299 8.416 10.818 1.00 0.00 H new ATOM 0 HE ARG A 10 5.692 5.902 11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.541 7.528 11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.863 6.453 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.802 4.536 12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.135 4.770 13.466 1.00 0.00 H new ATOM 173 N GLY A 11 2.493 10.539 8.204 1.00 0.00 N ATOM 174 CA GLY A 11 2.289 11.817 8.869 1.00 0.00 C ATOM 175 C GLY A 11 2.840 11.832 10.282 1.00 0.00 C ATOM 176 O GLY A 11 4.057 11.863 10.480 1.00 0.00 O ATOM 0 H GLY A 11 1.653 9.969 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.767 12.606 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.223 12.043 8.896 1.00 0.00 H new ATOM 180 N ARG A 12 1.945 11.813 11.266 1.00 0.00 N ATOM 181 CA ARG A 12 2.345 11.826 12.672 1.00 0.00 C ATOM 182 C ARG A 12 1.765 10.630 13.417 1.00 0.00 C ATOM 183 O ARG A 12 2.475 9.947 14.158 1.00 0.00 O ATOM 184 CB ARG A 12 1.914 13.137 13.339 1.00 0.00 C ATOM 185 CG ARG A 12 2.361 14.379 12.578 1.00 0.00 C ATOM 186 CD ARG A 12 2.648 15.544 13.513 1.00 0.00 C ATOM 187 NE ARG A 12 2.987 16.763 12.777 1.00 0.00 N ATOM 188 CZ ARG A 12 3.563 17.834 13.326 1.00 0.00 C ATOM 189 NH1 ARG A 12 3.869 17.848 14.619 1.00 0.00 N ATOM 190 NH2 ARG A 12 3.837 18.896 12.575 1.00 0.00 N ATOM 0 H ARG A 12 0.936 11.789 11.116 1.00 0.00 H new ATOM 0 HA ARG A 12 3.432 11.755 12.716 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.828 13.149 13.432 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.321 13.173 14.349 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.256 14.148 12.000 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.587 14.667 11.866 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.776 15.729 14.141 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.470 15.281 14.179 1.00 0.00 H new ATOM 0 HE ARG A 12 2.769 16.796 11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.664 17.036 15.200 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.309 18.671 15.030 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.607 18.891 11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.277 19.716 12.992 1.00 0.00 H new ATOM 204 N ALA A 13 0.475 10.375 13.216 1.00 0.00 N ATOM 205 CA ALA A 13 -0.193 9.253 13.868 1.00 0.00 C ATOM 206 C ALA A 13 -0.917 8.360 12.855 1.00 0.00 C ATOM 207 O ALA A 13 -2.039 7.910 13.102 1.00 0.00 O ATOM 208 CB ALA A 13 -1.166 9.761 14.924 1.00 0.00 C ATOM 0 H ALA A 13 -0.128 10.929 12.608 1.00 0.00 H new ATOM 0 HA ALA A 13 0.571 8.646 14.353 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.658 8.914 15.403 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.622 10.336 15.673 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.915 10.397 14.452 1.00 0.00 H new ATOM 214 N GLY A 14 -0.270 8.103 11.717 1.00 0.00 N ATOM 215 CA GLY A 14 -0.874 7.262 10.694 1.00 0.00 C ATOM 216 C GLY A 14 -0.284 7.486 9.312 1.00 0.00 C ATOM 217 O GLY A 14 0.619 8.308 9.141 1.00 0.00 O ATOM 0 H GLY A 14 0.657 8.461 11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.747 6.216 10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.946 7.455 10.660 1.00 0.00 H new ATOM 221 N TYR A 15 -0.801 6.749 8.326 1.00 0.00 N ATOM 222 CA TYR A 15 -0.327 6.862 6.946 1.00 0.00 C ATOM 223 C TYR A 15 -1.391 7.486 6.041 1.00 0.00 C ATOM 224 O TYR A 15 -1.077 8.310 5.179 1.00 0.00 O ATOM 225 CB TYR A 15 0.070 5.485 6.402 1.00 0.00 C ATOM 226 CG TYR A 15 1.527 5.137 6.617 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.517 5.689 5.813 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.910 4.253 7.617 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.847 5.370 6.001 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.239 3.929 7.810 1.00 0.00 C ATOM 231 CZ TYR A 15 4.204 4.490 7.000 1.00 0.00 C ATOM 232 OH TYR A 15 5.528 4.170 7.189 1.00 0.00 O ATOM 0 H TYR A 15 -1.548 6.068 8.458 1.00 0.00 H new ATOM 0 HA TYR A 15 0.546 7.514 6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.549 4.725 6.879 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.148 5.450 5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.242 6.378 5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.157 3.812 8.254 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.604 5.808 5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.521 3.239 8.592 1.00 0.00 H new ATOM 0 HH TYR A 15 5.633 3.196 7.186 1.00 0.00 H new ATOM 242 N GLY A 16 -2.646 7.088 6.242 1.00 0.00 N ATOM 243 CA GLY A 16 -3.740 7.614 5.438 1.00 0.00 C ATOM 244 C GLY A 16 -4.379 6.569 4.534 1.00 0.00 C ATOM 245 O GLY A 16 -4.990 6.914 3.520 1.00 0.00 O ATOM 0 H GLY A 16 -2.926 6.409 6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.502 8.027 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.369 8.436 4.826 1.00 0.00 H new ATOM 249 N PHE A 17 -4.248 5.291 4.898 1.00 0.00 N ATOM 250 CA PHE A 17 -4.823 4.204 4.108 1.00 0.00 C ATOM 251 C PHE A 17 -5.033 2.956 4.967 1.00 0.00 C ATOM 252 O PHE A 17 -4.371 2.779 5.992 1.00 0.00 O ATOM 253 CB PHE A 17 -3.927 3.880 2.904 1.00 0.00 C ATOM 254 CG PHE A 17 -2.628 3.208 3.274 1.00 0.00 C ATOM 255 CD1 PHE A 17 -1.504 3.962 3.575 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.534 1.826 3.317 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.313 3.350 3.915 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.345 1.209 3.656 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.233 1.972 3.955 1.00 0.00 C ATOM 0 H PHE A 17 -3.749 4.986 5.734 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.795 4.532 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.476 3.235 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.708 4.803 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.560 5.040 3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.400 1.224 3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.555 3.949 4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.285 0.131 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.697 1.492 4.220 1.00 0.00 H new ATOM 269 N THR A 18 -5.960 2.094 4.546 1.00 0.00 N ATOM 270 CA THR A 18 -6.260 0.865 5.279 1.00 0.00 C ATOM 271 C THR A 18 -5.804 -0.369 4.501 1.00 0.00 C ATOM 272 O THR A 18 -6.025 -0.472 3.292 1.00 0.00 O ATOM 273 CB THR A 18 -7.762 0.775 5.573 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.261 2.022 6.024 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.106 -0.266 6.621 1.00 0.00 C ATOM 0 H THR A 18 -6.516 2.225 3.701 1.00 0.00 H new ATOM 0 HA THR A 18 -5.712 0.894 6.221 1.00 0.00 H new ATOM 0 HB THR A 18 -8.224 0.484 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.221 1.944 6.204 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.184 -0.278 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.779 -1.248 6.279 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.603 -0.021 7.556 1.00 0.00 H new ATOM 283 N LEU A 19 -5.169 -1.302 5.210 1.00 0.00 N ATOM 284 CA LEU A 19 -4.678 -2.535 4.602 1.00 0.00 C ATOM 285 C LEU A 19 -5.336 -3.758 5.235 1.00 0.00 C ATOM 286 O LEU A 19 -5.342 -3.906 6.459 1.00 0.00 O ATOM 287 CB LEU A 19 -3.159 -2.633 4.760 1.00 0.00 C ATOM 288 CG LEU A 19 -2.386 -2.997 3.490 1.00 0.00 C ATOM 289 CD1 LEU A 19 -0.891 -2.807 3.704 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.688 -4.430 3.074 1.00 0.00 C ATOM 0 H LEU A 19 -4.983 -1.225 6.210 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.933 -2.512 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.787 -1.677 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.938 -3.378 5.525 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.707 -2.332 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.356 -3.070 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.689 -1.766 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.556 -3.449 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.130 -4.672 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.395 -5.110 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.756 -4.535 2.881 1.00 0.00 H new ATOM 302 N SER A 20 -5.874 -4.641 4.393 1.00 0.00 N ATOM 303 CA SER A 20 -6.526 -5.864 4.865 1.00 0.00 C ATOM 304 C SER A 20 -6.429 -6.980 3.820 1.00 0.00 C ATOM 305 O SER A 20 -5.921 -6.770 2.716 1.00 0.00 O ATOM 306 CB SER A 20 -7.999 -5.601 5.198 1.00 0.00 C ATOM 307 OG SER A 20 -8.160 -4.402 5.938 1.00 0.00 O ATOM 0 H SER A 20 -5.871 -4.532 3.379 1.00 0.00 H new ATOM 0 HA SER A 20 -6.007 -6.184 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.576 -5.540 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.399 -6.439 5.770 1.00 0.00 H new ATOM 0 HG SER A 20 -8.504 -3.698 5.349 1.00 0.00 H new ATOM 313 N GLY A 21 -6.921 -8.167 4.182 1.00 0.00 N ATOM 314 CA GLY A 21 -6.886 -9.306 3.276 1.00 0.00 C ATOM 315 C GLY A 21 -6.129 -10.485 3.859 1.00 0.00 C ATOM 316 O GLY A 21 -6.600 -11.622 3.807 1.00 0.00 O ATOM 0 H GLY A 21 -7.344 -8.359 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.906 -9.612 3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.420 -9.006 2.338 1.00 0.00 H new ATOM 320 N GLN A 22 -4.955 -10.199 4.422 1.00 0.00 N ATOM 321 CA GLN A 22 -4.102 -11.215 5.041 1.00 0.00 C ATOM 322 C GLN A 22 -3.779 -12.363 4.076 1.00 0.00 C ATOM 323 O GLN A 22 -3.733 -13.529 4.475 1.00 0.00 O ATOM 324 CB GLN A 22 -4.764 -11.754 6.313 1.00 0.00 C ATOM 325 CG GLN A 22 -4.483 -10.911 7.549 1.00 0.00 C ATOM 326 CD GLN A 22 -3.633 -11.636 8.577 1.00 0.00 C ATOM 327 OE1 GLN A 22 -3.979 -11.688 9.757 1.00 0.00 O ATOM 328 NE2 GLN A 22 -2.512 -12.199 8.135 1.00 0.00 N ATOM 0 H GLN A 22 -4.568 -9.256 4.462 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.157 -10.738 5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.841 -11.808 6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.416 -12.772 6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.978 -9.993 7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.428 -10.620 8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.262 -12.132 7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.902 -12.698 8.783 1.00 0.00 H new ATOM 337 N ALA A 23 -3.540 -12.017 2.811 1.00 0.00 N ATOM 338 CA ALA A 23 -3.208 -13.002 1.783 1.00 0.00 C ATOM 339 C ALA A 23 -3.120 -12.337 0.407 1.00 0.00 C ATOM 340 O ALA A 23 -2.060 -12.345 -0.221 1.00 0.00 O ATOM 341 CB ALA A 23 -4.226 -14.140 1.763 1.00 0.00 C ATOM 0 H ALA A 23 -3.571 -11.055 2.473 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.233 -13.425 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.954 -14.858 0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.234 -14.638 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.217 -13.738 1.553 1.00 0.00 H new ATOM 347 N PRO A 24 -4.233 -11.746 -0.079 1.00 0.00 N ATOM 348 CA PRO A 24 -4.266 -11.073 -1.384 1.00 0.00 C ATOM 349 C PRO A 24 -3.573 -9.714 -1.375 1.00 0.00 C ATOM 350 O PRO A 24 -3.089 -9.255 -2.412 1.00 0.00 O ATOM 351 CB PRO A 24 -5.761 -10.902 -1.650 1.00 0.00 C ATOM 352 CG PRO A 24 -6.374 -10.800 -0.299 1.00 0.00 C ATOM 353 CD PRO A 24 -5.545 -11.683 0.601 1.00 0.00 C ATOM 0 HA PRO A 24 -3.737 -11.648 -2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.958 -10.009 -2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.164 -11.749 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.370 -9.769 0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.414 -11.127 -0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.457 -11.263 1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.988 -12.673 0.709 1.00 0.00 H new ATOM 361 N CYS A 25 -3.548 -9.069 -0.205 1.00 0.00 N ATOM 362 CA CYS A 25 -2.941 -7.757 -0.053 1.00 0.00 C ATOM 363 C CYS A 25 -3.583 -6.779 -1.019 1.00 0.00 C ATOM 364 O CYS A 25 -3.196 -6.676 -2.180 1.00 0.00 O ATOM 365 CB CYS A 25 -1.434 -7.809 -0.270 1.00 0.00 C ATOM 366 SG CYS A 25 -0.600 -9.145 0.621 1.00 0.00 S ATOM 0 H CYS A 25 -3.947 -9.445 0.655 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.113 -7.419 0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.236 -7.920 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.001 -6.857 0.038 1.00 0.00 H new ATOM 0 HG CYS A 25 0.440 -9.534 -0.055 1.00 0.00 H new ATOM 372 N VAL A 26 -4.587 -6.088 -0.527 1.00 0.00 N ATOM 373 CA VAL A 26 -5.326 -5.123 -1.331 1.00 0.00 C ATOM 374 C VAL A 26 -5.803 -3.954 -0.478 1.00 0.00 C ATOM 375 O VAL A 26 -6.167 -4.132 0.687 1.00 0.00 O ATOM 376 CB VAL A 26 -6.549 -5.774 -2.020 1.00 0.00 C ATOM 377 CG1 VAL A 26 -6.838 -5.099 -3.351 1.00 0.00 C ATOM 378 CG2 VAL A 26 -6.341 -7.271 -2.213 1.00 0.00 C ATOM 0 H VAL A 26 -4.917 -6.173 0.434 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.641 -4.760 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.412 -5.636 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.701 -5.572 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.048 -4.042 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.972 -5.198 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.217 -7.700 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.462 -7.439 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.195 -7.746 -1.243 1.00 0.00 H new ATOM 388 N LEU A 27 -5.803 -2.758 -1.066 1.00 0.00 N ATOM 389 CA LEU A 27 -6.242 -1.555 -0.364 1.00 0.00 C ATOM 390 C LEU A 27 -7.728 -1.643 -0.032 1.00 0.00 C ATOM 391 O LEU A 27 -8.560 -1.811 -0.924 1.00 0.00 O ATOM 392 CB LEU A 27 -5.972 -0.310 -1.213 1.00 0.00 C ATOM 393 CG LEU A 27 -4.887 0.621 -0.671 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.592 0.446 -1.447 1.00 0.00 C ATOM 395 CD2 LEU A 27 -5.358 2.066 -0.726 1.00 0.00 C ATOM 0 H LEU A 27 -5.503 -2.598 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.677 -1.477 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.688 -0.628 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.900 0.255 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.694 0.360 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.833 1.118 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.249 -0.585 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.763 0.679 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.576 2.719 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.578 2.338 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.258 2.179 -0.122 1.00 0.00 H new ATOM 407 N SER A 28 -8.052 -1.536 1.253 1.00 0.00 N ATOM 408 CA SER A 28 -9.441 -1.606 1.700 1.00 0.00 C ATOM 409 C SER A 28 -10.140 -0.256 1.545 1.00 0.00 C ATOM 410 O SER A 28 -11.296 -0.195 1.121 1.00 0.00 O ATOM 411 CB SER A 28 -9.514 -2.072 3.157 1.00 0.00 C ATOM 412 OG SER A 28 -9.144 -3.438 3.278 1.00 0.00 O ATOM 0 H SER A 28 -7.374 -1.401 2.003 1.00 0.00 H new ATOM 0 HA SER A 28 -9.957 -2.331 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.855 -1.458 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.526 -1.932 3.536 1.00 0.00 H new ATOM 0 HG SER A 28 -9.891 -3.947 3.656 1.00 0.00 H new ATOM 418 N CYS A 29 -9.433 0.819 1.888 1.00 0.00 N ATOM 419 CA CYS A 29 -9.985 2.170 1.784 1.00 0.00 C ATOM 420 C CYS A 29 -8.922 3.230 2.075 1.00 0.00 C ATOM 421 O CYS A 29 -7.969 2.979 2.817 1.00 0.00 O ATOM 422 CB CYS A 29 -11.165 2.342 2.745 1.00 0.00 C ATOM 423 SG CYS A 29 -12.111 3.861 2.493 1.00 0.00 S ATOM 0 H CYS A 29 -8.477 0.782 2.240 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.333 2.306 0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.834 1.488 2.637 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.791 2.326 3.769 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.086 3.912 3.351 1.00 0.00 H new ATOM 429 N VAL A 30 -9.097 4.416 1.490 1.00 0.00 N ATOM 430 CA VAL A 30 -8.161 5.521 1.685 1.00 0.00 C ATOM 431 C VAL A 30 -8.857 6.710 2.349 1.00 0.00 C ATOM 432 O VAL A 30 -10.073 6.872 2.235 1.00 0.00 O ATOM 433 CB VAL A 30 -7.533 5.983 0.349 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.322 6.866 0.600 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.153 4.787 -0.516 1.00 0.00 C ATOM 0 H VAL A 30 -9.881 4.635 0.876 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.366 5.152 2.334 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.279 6.568 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.896 7.179 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.624 7.745 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.575 6.308 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.714 5.138 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.430 4.169 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.044 4.198 -0.733 1.00 0.00 H new ATOM 445 N MET A 31 -8.075 7.546 3.034 1.00 0.00 N ATOM 446 CA MET A 31 -8.609 8.720 3.706 1.00 0.00 C ATOM 447 C MET A 31 -8.405 9.960 2.850 1.00 0.00 C ATOM 448 O MET A 31 -7.311 10.526 2.796 1.00 0.00 O ATOM 449 CB MET A 31 -7.948 8.921 5.070 1.00 0.00 C ATOM 450 CG MET A 31 -8.069 7.725 6.001 1.00 0.00 C ATOM 451 SD MET A 31 -9.545 7.788 7.037 1.00 0.00 S ATOM 452 CE MET A 31 -9.287 9.331 7.910 1.00 0.00 C ATOM 0 H MET A 31 -7.067 7.427 3.135 1.00 0.00 H new ATOM 0 HA MET A 31 -9.676 8.560 3.858 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.892 9.146 4.920 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.394 9.790 5.553 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.086 6.810 5.409 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.186 7.676 6.638 1.00 0.00 H new ATOM 0 HE1 MET A 31 -9.541 9.201 8.962 1.00 0.00 H new ATOM 0 HE2 MET A 31 -8.242 9.628 7.823 1.00 0.00 H new ATOM 0 HE3 MET A 31 -9.921 10.105 7.477 1.00 0.00 H new ATOM 462 N ARG A 32 -9.472 10.364 2.182 1.00 0.00 N ATOM 463 CA ARG A 32 -9.452 11.537 1.309 1.00 0.00 C ATOM 464 C ARG A 32 -8.868 12.750 2.032 1.00 0.00 C ATOM 465 O ARG A 32 -9.339 13.132 3.104 1.00 0.00 O ATOM 466 CB ARG A 32 -10.864 11.852 0.808 1.00 0.00 C ATOM 467 CG ARG A 32 -11.199 11.188 -0.516 1.00 0.00 C ATOM 468 CD ARG A 32 -12.655 11.395 -0.897 1.00 0.00 C ATOM 469 NE ARG A 32 -13.143 10.347 -1.791 1.00 0.00 N ATOM 470 CZ ARG A 32 -12.891 10.304 -3.103 1.00 0.00 C ATOM 471 NH1 ARG A 32 -12.141 11.243 -3.679 1.00 0.00 N ATOM 472 NH2 ARG A 32 -13.386 9.316 -3.841 1.00 0.00 N ATOM 0 H ARG A 32 -10.376 9.894 2.226 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.815 11.310 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.587 11.533 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.971 12.932 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.557 11.593 -1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.988 10.121 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.266 11.415 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.768 12.365 -1.380 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.711 9.602 -1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.754 12.002 -3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.954 11.203 -4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.958 8.592 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.194 9.282 -4.842 1.00 0.00 H new ATOM 486 N GLY A 33 -7.835 13.340 1.437 1.00 0.00 N ATOM 487 CA GLY A 33 -7.188 14.497 2.031 1.00 0.00 C ATOM 488 C GLY A 33 -5.931 14.130 2.802 1.00 0.00 C ATOM 489 O GLY A 33 -5.515 14.859 3.705 1.00 0.00 O ATOM 0 H GLY A 33 -7.433 13.036 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.934 15.210 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.888 14.997 2.701 1.00 0.00 H new ATOM 493 N SER A 34 -5.321 13.001 2.440 1.00 0.00 N ATOM 494 CA SER A 34 -4.103 12.537 3.093 1.00 0.00 C ATOM 495 C SER A 34 -2.992 12.338 2.064 1.00 0.00 C ATOM 496 O SER A 34 -3.255 12.307 0.861 1.00 0.00 O ATOM 497 CB SER A 34 -4.371 11.226 3.839 1.00 0.00 C ATOM 498 OG SER A 34 -4.679 11.464 5.202 1.00 0.00 O ATOM 0 H SER A 34 -5.655 12.390 1.694 1.00 0.00 H new ATOM 0 HA SER A 34 -3.783 13.292 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.197 10.697 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.496 10.580 3.769 1.00 0.00 H new ATOM 0 HG SER A 34 -4.847 10.610 5.653 1.00 0.00 H new ATOM 504 N PRO A 35 -1.730 12.193 2.523 1.00 0.00 N ATOM 505 CA PRO A 35 -0.578 11.987 1.633 1.00 0.00 C ATOM 506 C PRO A 35 -0.775 10.811 0.672 1.00 0.00 C ATOM 507 O PRO A 35 -0.201 10.793 -0.419 1.00 0.00 O ATOM 508 CB PRO A 35 0.588 11.702 2.594 1.00 0.00 C ATOM 509 CG PRO A 35 -0.037 11.438 3.922 1.00 0.00 C ATOM 510 CD PRO A 35 -1.325 12.208 3.936 1.00 0.00 C ATOM 0 HA PRO A 35 -0.414 12.853 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.171 10.844 2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.270 12.551 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.218 10.372 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.618 11.759 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.071 11.736 4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.185 13.224 4.306 1.00 0.00 H new ATOM 518 N ALA A 36 -1.592 9.839 1.083 1.00 0.00 N ATOM 519 CA ALA A 36 -1.868 8.668 0.256 1.00 0.00 C ATOM 520 C ALA A 36 -2.706 9.045 -0.965 1.00 0.00 C ATOM 521 O ALA A 36 -2.373 8.682 -2.093 1.00 0.00 O ATOM 522 CB ALA A 36 -2.575 7.594 1.075 1.00 0.00 C ATOM 0 H ALA A 36 -2.072 9.842 1.983 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.916 8.270 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.774 6.728 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.941 7.297 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.517 7.989 1.457 1.00 0.00 H new ATOM 528 N ASP A 37 -3.791 9.781 -0.727 1.00 0.00 N ATOM 529 CA ASP A 37 -4.680 10.217 -1.804 1.00 0.00 C ATOM 530 C ASP A 37 -3.985 11.217 -2.727 1.00 0.00 C ATOM 531 O ASP A 37 -4.266 11.266 -3.924 1.00 0.00 O ATOM 532 CB ASP A 37 -5.952 10.843 -1.223 1.00 0.00 C ATOM 533 CG ASP A 37 -7.048 10.994 -2.260 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.795 10.017 -2.483 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.162 12.090 -2.851 1.00 0.00 O ATOM 0 H ASP A 37 -4.076 10.088 0.203 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.947 9.338 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.315 10.225 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.714 11.821 -0.805 1.00 0.00 H new ATOM 540 N PHE A 38 -3.078 12.018 -2.161 1.00 0.00 N ATOM 541 CA PHE A 38 -2.343 13.021 -2.933 1.00 0.00 C ATOM 542 C PHE A 38 -1.536 12.379 -4.066 1.00 0.00 C ATOM 543 O PHE A 38 -1.212 13.039 -5.054 1.00 0.00 O ATOM 544 CB PHE A 38 -1.409 13.826 -2.020 1.00 0.00 C ATOM 545 CG PHE A 38 -2.116 14.585 -0.925 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.466 14.899 -1.026 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.426 14.985 0.210 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.109 15.594 -0.019 1.00 0.00 C ATOM 549 CE2 PHE A 38 -2.067 15.680 1.220 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.408 15.984 1.105 1.00 0.00 C ATOM 0 H PHE A 38 -2.836 11.991 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.077 13.693 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.687 13.146 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.844 14.532 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.020 14.596 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.376 14.751 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.158 15.832 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.518 15.985 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.909 16.526 1.893 1.00 0.00 H new ATOM 560 N VAL A 39 -1.209 11.091 -3.921 1.00 0.00 N ATOM 561 CA VAL A 39 -0.442 10.375 -4.937 1.00 0.00 C ATOM 562 C VAL A 39 -1.363 9.735 -5.979 1.00 0.00 C ATOM 563 O VAL A 39 -0.986 9.582 -7.142 1.00 0.00 O ATOM 564 CB VAL A 39 0.444 9.278 -4.307 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.373 8.672 -5.351 1.00 0.00 C ATOM 566 CG2 VAL A 39 1.239 9.836 -3.133 1.00 0.00 C ATOM 0 H VAL A 39 -1.464 10.527 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 39 0.196 11.111 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.206 8.488 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.989 7.901 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.781 8.230 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.015 9.451 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.856 9.047 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.878 10.648 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.552 10.212 -2.375 1.00 0.00 H new ATOM 576 N GLY A 40 -2.572 9.363 -5.555 1.00 0.00 N ATOM 577 CA GLY A 40 -3.524 8.749 -6.464 1.00 0.00 C ATOM 578 C GLY A 40 -3.780 7.292 -6.135 1.00 0.00 C ATOM 579 O GLY A 40 -3.401 6.401 -6.898 1.00 0.00 O ATOM 0 H GLY A 40 -2.907 9.477 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.465 9.298 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.150 8.828 -7.485 1.00 0.00 H new ATOM 583 N LEU A 41 -4.426 7.052 -4.997 1.00 0.00 N ATOM 584 CA LEU A 41 -4.737 5.698 -4.563 1.00 0.00 C ATOM 585 C LEU A 41 -6.203 5.367 -4.829 1.00 0.00 C ATOM 586 O LEU A 41 -7.025 6.261 -5.036 1.00 0.00 O ATOM 587 CB LEU A 41 -4.418 5.527 -3.073 1.00 0.00 C ATOM 588 CG LEU A 41 -3.070 4.868 -2.771 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.703 5.028 -1.302 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.099 3.396 -3.154 1.00 0.00 C ATOM 0 H LEU A 41 -4.744 7.782 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.119 5.007 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.441 6.507 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.207 4.932 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.307 5.368 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.741 4.551 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.637 6.088 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.468 4.559 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.133 2.943 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.877 2.887 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.308 3.301 -4.220 1.00 0.00 H new ATOM 602 N ARG A 42 -6.519 4.073 -4.820 1.00 0.00 N ATOM 603 CA ARG A 42 -7.879 3.609 -5.060 1.00 0.00 C ATOM 604 C ARG A 42 -8.159 2.327 -4.287 1.00 0.00 C ATOM 605 O ARG A 42 -7.494 1.310 -4.493 1.00 0.00 O ATOM 606 CB ARG A 42 -8.112 3.361 -6.553 1.00 0.00 C ATOM 607 CG ARG A 42 -8.327 4.627 -7.365 1.00 0.00 C ATOM 608 CD ARG A 42 -9.598 5.347 -6.943 1.00 0.00 C ATOM 609 NE ARG A 42 -10.166 6.140 -8.031 1.00 0.00 N ATOM 610 CZ ARG A 42 -11.432 6.561 -8.071 1.00 0.00 C ATOM 611 NH1 ARG A 42 -12.272 6.275 -7.079 1.00 0.00 N ATOM 612 NH2 ARG A 42 -11.860 7.273 -9.107 1.00 0.00 N ATOM 0 H ARG A 42 -5.846 3.326 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.559 4.388 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.256 2.823 -6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.981 2.714 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.472 5.291 -7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.383 4.377 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.333 4.617 -6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.382 5.997 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.556 6.388 -8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.950 5.730 -6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.238 6.601 -7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.222 7.497 -9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.827 7.596 -9.139 1.00 0.00 H new ATOM 626 N ALA A 43 -9.149 2.383 -3.401 1.00 0.00 N ATOM 627 CA ALA A 43 -9.533 1.224 -2.596 1.00 0.00 C ATOM 628 C ALA A 43 -9.900 0.041 -3.488 1.00 0.00 C ATOM 629 O ALA A 43 -10.910 0.078 -4.197 1.00 0.00 O ATOM 630 CB ALA A 43 -10.694 1.577 -1.680 1.00 0.00 C ATOM 0 H ALA A 43 -9.702 3.221 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.679 0.936 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.968 0.704 -1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.399 2.389 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.548 1.891 -2.280 1.00 0.00 H new ATOM 636 N GLY A 44 -9.072 -1.001 -3.459 1.00 0.00 N ATOM 637 CA GLY A 44 -9.318 -2.178 -4.277 1.00 0.00 C ATOM 638 C GLY A 44 -8.125 -2.556 -5.144 1.00 0.00 C ATOM 639 O GLY A 44 -8.087 -3.652 -5.708 1.00 0.00 O ATOM 0 H GLY A 44 -8.233 -1.051 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.571 -3.018 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.182 -1.996 -4.916 1.00 0.00 H new ATOM 643 N ASP A 45 -7.148 -1.652 -5.252 1.00 0.00 N ATOM 644 CA ASP A 45 -5.952 -1.901 -6.051 1.00 0.00 C ATOM 645 C ASP A 45 -5.113 -3.019 -5.427 1.00 0.00 C ATOM 646 O ASP A 45 -4.555 -2.855 -4.341 1.00 0.00 O ATOM 647 CB ASP A 45 -5.119 -0.620 -6.170 1.00 0.00 C ATOM 648 CG ASP A 45 -5.000 -0.129 -7.600 1.00 0.00 C ATOM 649 OD1 ASP A 45 -6.041 0.183 -8.210 1.00 0.00 O ATOM 650 OD2 ASP A 45 -3.860 -0.053 -8.104 1.00 0.00 O ATOM 0 H ASP A 45 -7.165 -0.741 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.261 -2.215 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.572 0.161 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.122 -0.801 -5.768 1.00 0.00 H new ATOM 655 N GLN A 46 -5.047 -4.156 -6.119 1.00 0.00 N ATOM 656 CA GLN A 46 -4.295 -5.312 -5.642 1.00 0.00 C ATOM 657 C GLN A 46 -2.836 -4.957 -5.351 1.00 0.00 C ATOM 658 O GLN A 46 -2.130 -4.431 -6.212 1.00 0.00 O ATOM 659 CB GLN A 46 -4.360 -6.446 -6.667 1.00 0.00 C ATOM 660 CG GLN A 46 -4.489 -7.824 -6.039 1.00 0.00 C ATOM 661 CD GLN A 46 -3.796 -8.900 -6.855 1.00 0.00 C ATOM 662 OE1 GLN A 46 -2.593 -8.827 -7.101 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.554 -9.905 -7.280 1.00 0.00 N ATOM 0 H GLN A 46 -5.509 -4.300 -7.017 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.753 -5.640 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.208 -6.277 -7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.462 -6.419 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.065 -7.804 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.545 -8.075 -5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.548 -9.926 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.142 -10.656 -7.834 1.00 0.00 H new ATOM 672 N ILE A 47 -2.401 -5.260 -4.132 1.00 0.00 N ATOM 673 CA ILE A 47 -1.031 -4.995 -3.702 1.00 0.00 C ATOM 674 C ILE A 47 -0.095 -6.106 -4.176 1.00 0.00 C ATOM 675 O ILE A 47 -0.319 -7.282 -3.886 1.00 0.00 O ATOM 676 CB ILE A 47 -0.939 -4.874 -2.162 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.875 -3.773 -1.659 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.493 -4.589 -1.733 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.094 -3.800 -0.162 1.00 0.00 C ATOM 0 H ILE A 47 -2.985 -5.694 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.727 -4.048 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.248 -5.822 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.465 -2.803 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.838 -3.870 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.538 -4.507 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.140 -5.402 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.828 -3.654 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.768 -2.991 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.533 -4.756 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.139 -3.672 0.348 1.00 0.00 H new ATOM 691 N LEU A 48 0.949 -5.726 -4.911 1.00 0.00 N ATOM 692 CA LEU A 48 1.913 -6.695 -5.431 1.00 0.00 C ATOM 693 C LEU A 48 3.249 -6.609 -4.693 1.00 0.00 C ATOM 694 O LEU A 48 3.858 -7.634 -4.391 1.00 0.00 O ATOM 695 CB LEU A 48 2.126 -6.481 -6.933 1.00 0.00 C ATOM 696 CG LEU A 48 0.865 -6.614 -7.793 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.175 -5.268 -7.943 1.00 0.00 C ATOM 698 CD2 LEU A 48 1.206 -7.193 -9.160 1.00 0.00 C ATOM 0 H LEU A 48 1.149 -4.757 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 48 1.502 -7.691 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.549 -5.488 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.865 -7.200 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 48 0.180 -7.298 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.718 -5.383 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.107 -4.892 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.855 -4.562 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.297 -7.280 -9.755 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.911 -6.535 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.654 -8.179 -9.036 1.00 0.00 H new ATOM 710 N ALA A 49 3.698 -5.388 -4.411 1.00 0.00 N ATOM 711 CA ALA A 49 4.966 -5.169 -3.710 1.00 0.00 C ATOM 712 C ALA A 49 4.822 -4.089 -2.635 1.00 0.00 C ATOM 713 O ALA A 49 4.096 -3.110 -2.819 1.00 0.00 O ATOM 714 CB ALA A 49 6.051 -4.784 -4.703 1.00 0.00 C ATOM 0 H ALA A 49 3.202 -4.531 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 49 5.248 -6.099 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.989 -4.623 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.178 -5.585 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.764 -3.867 -5.218 1.00 0.00 H new ATOM 720 N VAL A 50 5.530 -4.268 -1.519 1.00 0.00 N ATOM 721 CA VAL A 50 5.499 -3.312 -0.414 1.00 0.00 C ATOM 722 C VAL A 50 6.892 -3.162 0.180 1.00 0.00 C ATOM 723 O VAL A 50 7.456 -4.129 0.698 1.00 0.00 O ATOM 724 CB VAL A 50 4.519 -3.733 0.705 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.273 -2.577 1.668 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.207 -4.228 0.113 1.00 0.00 C ATOM 0 H VAL A 50 6.136 -5.073 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 50 5.152 -2.364 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 50 4.971 -4.552 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.581 -2.894 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.217 -2.274 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.845 -1.735 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.532 -4.519 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.750 -3.432 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.399 -5.088 -0.529 1.00 0.00 H new ATOM 736 N ASN A 51 7.453 -1.959 0.076 1.00 0.00 N ATOM 737 CA ASN A 51 8.797 -1.685 0.580 1.00 0.00 C ATOM 738 C ASN A 51 9.837 -2.256 -0.387 1.00 0.00 C ATOM 739 O ASN A 51 10.926 -2.656 0.017 1.00 0.00 O ATOM 740 CB ASN A 51 8.985 -2.265 1.990 1.00 0.00 C ATOM 741 CG ASN A 51 10.126 -1.609 2.750 1.00 0.00 C ATOM 742 OD1 ASN A 51 11.053 -2.282 3.199 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.063 -0.289 2.902 1.00 0.00 N ATOM 0 H ASN A 51 6.995 -1.155 -0.355 1.00 0.00 H new ATOM 0 HA ASN A 51 8.933 -0.606 0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.061 -2.142 2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.173 -3.336 1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.801 0.202 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.277 0.232 2.514 1.00 0.00 H new ATOM 750 N GLU A 52 9.468 -2.279 -1.674 1.00 0.00 N ATOM 751 CA GLU A 52 10.322 -2.779 -2.755 1.00 0.00 C ATOM 752 C GLU A 52 10.301 -4.312 -2.867 1.00 0.00 C ATOM 753 O GLU A 52 10.939 -4.875 -3.758 1.00 0.00 O ATOM 754 CB GLU A 52 11.763 -2.249 -2.616 1.00 0.00 C ATOM 755 CG GLU A 52 12.765 -3.226 -2.001 1.00 0.00 C ATOM 756 CD GLU A 52 14.162 -3.062 -2.573 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.654 -1.915 -2.629 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.765 -4.083 -2.966 1.00 0.00 O ATOM 0 H GLU A 52 8.559 -1.947 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 52 9.905 -2.394 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.123 -1.960 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.742 -1.345 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.798 -3.077 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.424 -4.247 -2.171 1.00 0.00 H new ATOM 765 N ILE A 53 9.569 -4.988 -1.977 1.00 0.00 N ATOM 766 CA ILE A 53 9.491 -6.447 -2.014 1.00 0.00 C ATOM 767 C ILE A 53 8.063 -6.929 -2.276 1.00 0.00 C ATOM 768 O ILE A 53 7.107 -6.429 -1.682 1.00 0.00 O ATOM 769 CB ILE A 53 10.019 -7.082 -0.708 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.196 -6.618 0.497 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.489 -6.738 -0.515 1.00 0.00 C ATOM 772 CD1 ILE A 53 8.801 -7.746 1.424 1.00 0.00 C ATOM 0 H ILE A 53 9.028 -4.552 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 53 10.126 -6.768 -2.839 1.00 0.00 H new ATOM 0 HB ILE A 53 9.919 -8.165 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.770 -5.881 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.295 -6.117 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.850 -7.191 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.066 -7.121 -1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.605 -5.656 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.220 -7.347 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.200 -8.473 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.698 -8.232 1.808 1.00 0.00 H new ATOM 784 N ASN A 54 7.933 -7.897 -3.182 1.00 0.00 N ATOM 785 CA ASN A 54 6.644 -8.459 -3.552 1.00 0.00 C ATOM 786 C ASN A 54 5.973 -9.150 -2.369 1.00 0.00 C ATOM 787 O ASN A 54 6.639 -9.640 -1.455 1.00 0.00 O ATOM 788 CB ASN A 54 6.808 -9.456 -4.703 1.00 0.00 C ATOM 789 CG ASN A 54 6.593 -8.817 -6.062 1.00 0.00 C ATOM 790 OD1 ASN A 54 7.136 -7.749 -6.354 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.799 -9.467 -6.908 1.00 0.00 N ATOM 0 H ASN A 54 8.722 -8.311 -3.678 1.00 0.00 H new ATOM 0 HA ASN A 54 6.007 -7.634 -3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.807 -9.890 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.100 -10.274 -4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.621 -9.084 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.368 -10.348 -6.628 1.00 0.00 H new ATOM 798 N VAL A 55 4.647 -9.182 -2.410 1.00 0.00 N ATOM 799 CA VAL A 55 3.850 -9.806 -1.357 1.00 0.00 C ATOM 800 C VAL A 55 2.514 -10.325 -1.899 1.00 0.00 C ATOM 801 O VAL A 55 1.458 -10.078 -1.314 1.00 0.00 O ATOM 802 CB VAL A 55 3.581 -8.820 -0.197 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.799 -8.707 0.706 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.173 -7.453 -0.734 1.00 0.00 C ATOM 0 H VAL A 55 4.095 -8.780 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 55 4.430 -10.649 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 55 2.754 -9.209 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.588 -8.008 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.034 -9.686 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.649 -8.346 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.989 -6.775 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.973 -7.053 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.265 -7.552 -1.329 1.00 0.00 H new ATOM 814 N LYS A 56 2.567 -11.045 -3.021 1.00 0.00 N ATOM 815 CA LYS A 56 1.357 -11.596 -3.638 1.00 0.00 C ATOM 816 C LYS A 56 0.585 -12.473 -2.654 1.00 0.00 C ATOM 817 O LYS A 56 -0.645 -12.425 -2.607 1.00 0.00 O ATOM 818 CB LYS A 56 1.708 -12.401 -4.894 1.00 0.00 C ATOM 819 CG LYS A 56 1.728 -11.569 -6.169 1.00 0.00 C ATOM 820 CD LYS A 56 2.031 -12.426 -7.388 1.00 0.00 C ATOM 821 CE LYS A 56 2.540 -11.586 -8.550 1.00 0.00 C ATOM 822 NZ LYS A 56 3.736 -12.197 -9.199 1.00 0.00 N ATOM 0 H LYS A 56 3.430 -11.260 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 56 0.721 -10.758 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.686 -12.863 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.986 -13.210 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.764 -11.077 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.478 -10.783 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.776 -13.179 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.130 -12.960 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.747 -11.470 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.792 -10.587 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.051 -11.593 -9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.503 -12.285 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.490 -13.140 -9.563 1.00 0.00 H new ATOM 836 N LYS A 57 1.313 -13.263 -1.866 1.00 0.00 N ATOM 837 CA LYS A 57 0.694 -14.140 -0.875 1.00 0.00 C ATOM 838 C LYS A 57 1.472 -14.112 0.446 1.00 0.00 C ATOM 839 O LYS A 57 1.529 -15.112 1.165 1.00 0.00 O ATOM 840 CB LYS A 57 0.617 -15.577 -1.405 1.00 0.00 C ATOM 841 CG LYS A 57 -0.305 -15.743 -2.602 1.00 0.00 C ATOM 842 CD LYS A 57 -1.602 -16.441 -2.222 1.00 0.00 C ATOM 843 CE LYS A 57 -1.528 -17.942 -2.473 1.00 0.00 C ATOM 844 NZ LYS A 57 -2.008 -18.730 -1.301 1.00 0.00 N ATOM 0 H LYS A 57 2.331 -13.313 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.316 -13.775 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.619 -15.906 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.277 -16.232 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.529 -14.765 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.204 -16.317 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.819 -16.258 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.426 -16.016 -2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.127 -18.193 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.499 -18.221 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.941 -19.746 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.421 -18.511 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.998 -18.484 -1.099 1.00 0.00 H new ATOM 858 N ALA A 58 2.074 -12.961 0.761 1.00 0.00 N ATOM 859 CA ALA A 58 2.848 -12.809 1.985 1.00 0.00 C ATOM 860 C ALA A 58 1.945 -12.669 3.207 1.00 0.00 C ATOM 861 O ALA A 58 0.718 -12.725 3.097 1.00 0.00 O ATOM 862 CB ALA A 58 3.778 -11.607 1.878 1.00 0.00 C ATOM 0 H ALA A 58 2.037 -12.123 0.181 1.00 0.00 H new ATOM 0 HA ALA A 58 3.445 -13.712 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.350 -11.506 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.462 -11.749 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.189 -10.704 1.716 1.00 0.00 H new ATOM 868 N SER A 59 2.561 -12.477 4.371 1.00 0.00 N ATOM 869 CA SER A 59 1.819 -12.321 5.615 1.00 0.00 C ATOM 870 C SER A 59 1.559 -10.855 5.904 1.00 0.00 C ATOM 871 O SER A 59 2.438 -10.007 5.754 1.00 0.00 O ATOM 872 CB SER A 59 2.566 -12.967 6.786 1.00 0.00 C ATOM 873 OG SER A 59 3.890 -13.328 6.425 1.00 0.00 O ATOM 0 H SER A 59 3.574 -12.426 4.476 1.00 0.00 H new ATOM 0 HA SER A 59 0.862 -12.829 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.594 -12.274 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.025 -13.852 7.120 1.00 0.00 H new ATOM 0 HG SER A 59 4.339 -13.736 7.195 1.00 0.00 H new ATOM 879 N HIS A 60 0.330 -10.579 6.309 1.00 0.00 N ATOM 880 CA HIS A 60 -0.103 -9.226 6.619 1.00 0.00 C ATOM 881 C HIS A 60 0.784 -8.573 7.673 1.00 0.00 C ATOM 882 O HIS A 60 1.175 -7.415 7.531 1.00 0.00 O ATOM 883 CB HIS A 60 -1.547 -9.264 7.097 1.00 0.00 C ATOM 884 CG HIS A 60 -2.335 -8.060 6.704 1.00 0.00 C ATOM 885 ND1 HIS A 60 -2.788 -7.845 5.420 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.754 -7.000 7.432 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.452 -6.706 5.376 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.446 -6.173 6.584 1.00 0.00 N ATOM 0 H HIS A 60 -0.395 -11.286 6.432 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.024 -8.624 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.032 -10.153 6.694 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.560 -9.358 8.183 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.577 -6.835 8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.921 -6.282 4.501 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.885 -5.290 6.844 1.00 0.00 H new ATOM 897 N GLU A 61 1.102 -9.326 8.721 1.00 0.00 N ATOM 898 CA GLU A 61 1.949 -8.824 9.797 1.00 0.00 C ATOM 899 C GLU A 61 3.329 -8.459 9.262 1.00 0.00 C ATOM 900 O GLU A 61 3.910 -7.447 9.656 1.00 0.00 O ATOM 901 CB GLU A 61 2.074 -9.864 10.915 1.00 0.00 C ATOM 902 CG GLU A 61 0.733 -10.374 11.429 1.00 0.00 C ATOM 903 CD GLU A 61 0.859 -11.250 12.664 1.00 0.00 C ATOM 904 OE1 GLU A 61 1.711 -10.950 13.528 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.102 -12.239 12.766 1.00 0.00 O ATOM 0 H GLU A 61 0.785 -10.287 8.848 1.00 0.00 H new ATOM 0 HA GLU A 61 1.484 -7.928 10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.658 -10.709 10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.629 -9.427 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.092 -9.523 11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.240 -10.940 10.639 1.00 0.00 H new ATOM 912 N ASP A 62 3.839 -9.282 8.348 1.00 0.00 N ATOM 913 CA ASP A 62 5.141 -9.037 7.738 1.00 0.00 C ATOM 914 C ASP A 62 5.086 -7.792 6.861 1.00 0.00 C ATOM 915 O ASP A 62 5.994 -6.961 6.885 1.00 0.00 O ATOM 916 CB ASP A 62 5.579 -10.242 6.900 1.00 0.00 C ATOM 917 CG ASP A 62 7.071 -10.247 6.635 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.817 -10.818 7.458 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.492 -9.679 5.606 1.00 0.00 O ATOM 0 H ASP A 62 3.369 -10.124 8.015 1.00 0.00 H new ATOM 0 HA ASP A 62 5.868 -8.881 8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.301 -11.161 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.044 -10.235 5.951 1.00 0.00 H new ATOM 924 N VAL A 63 4.008 -7.671 6.090 1.00 0.00 N ATOM 925 CA VAL A 63 3.821 -6.529 5.201 1.00 0.00 C ATOM 926 C VAL A 63 3.702 -5.232 5.997 1.00 0.00 C ATOM 927 O VAL A 63 4.276 -4.211 5.620 1.00 0.00 O ATOM 928 CB VAL A 63 2.575 -6.702 4.307 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.441 -5.530 3.343 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.634 -8.020 3.545 1.00 0.00 C ATOM 0 H VAL A 63 3.249 -8.352 6.064 1.00 0.00 H new ATOM 0 HA VAL A 63 4.701 -6.477 4.560 1.00 0.00 H new ATOM 0 HB VAL A 63 1.695 -6.721 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.557 -5.670 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.344 -4.603 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.326 -5.477 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.745 -8.120 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.523 -8.036 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.676 -8.848 4.253 1.00 0.00 H new ATOM 940 N VAL A 64 2.978 -5.283 7.114 1.00 0.00 N ATOM 941 CA VAL A 64 2.816 -4.120 7.970 1.00 0.00 C ATOM 942 C VAL A 64 4.156 -3.748 8.581 1.00 0.00 C ATOM 943 O VAL A 64 4.487 -2.567 8.712 1.00 0.00 O ATOM 944 CB VAL A 64 1.787 -4.360 9.097 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.599 -3.099 9.931 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.455 -4.827 8.522 1.00 0.00 C ATOM 0 H VAL A 64 2.496 -6.120 7.443 1.00 0.00 H new ATOM 0 HA VAL A 64 2.441 -3.306 7.349 1.00 0.00 H new ATOM 0 HB VAL A 64 2.172 -5.146 9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.870 -3.289 10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.551 -2.813 10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.241 -2.291 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.254 -4.990 9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.064 -4.067 7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.601 -5.759 7.975 1.00 0.00 H new ATOM 956 N LYS A 65 4.927 -4.772 8.948 1.00 0.00 N ATOM 957 CA LYS A 65 6.237 -4.574 9.545 1.00 0.00 C ATOM 958 C LYS A 65 7.144 -3.761 8.623 1.00 0.00 C ATOM 959 O LYS A 65 7.853 -2.862 9.072 1.00 0.00 O ATOM 960 CB LYS A 65 6.893 -5.921 9.870 1.00 0.00 C ATOM 961 CG LYS A 65 6.912 -6.253 11.353 1.00 0.00 C ATOM 962 CD LYS A 65 7.224 -7.722 11.589 1.00 0.00 C ATOM 963 CE LYS A 65 6.084 -8.426 12.309 1.00 0.00 C ATOM 964 NZ LYS A 65 6.379 -8.629 13.756 1.00 0.00 N ATOM 0 H LYS A 65 4.660 -5.750 8.839 1.00 0.00 H new ATOM 0 HA LYS A 65 6.098 -4.017 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.363 -6.710 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.917 -5.916 9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.657 -5.636 11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.946 -6.009 11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.411 -8.213 10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.137 -7.811 12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.171 -7.839 12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.899 -9.391 11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.577 -9.112 14.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.235 -9.210 13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.531 -7.707 14.212 1.00 0.00 H new ATOM 978 N LEU A 66 7.105 -4.081 7.330 1.00 0.00 N ATOM 979 CA LEU A 66 7.917 -3.373 6.341 1.00 0.00 C ATOM 980 C LEU A 66 7.505 -1.907 6.257 1.00 0.00 C ATOM 981 O LEU A 66 8.353 -1.017 6.186 1.00 0.00 O ATOM 982 CB LEU A 66 7.789 -4.031 4.966 1.00 0.00 C ATOM 983 CG LEU A 66 8.154 -5.516 4.917 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.460 -6.198 3.748 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.664 -5.693 4.825 1.00 0.00 C ATOM 0 H LEU A 66 6.522 -4.823 6.944 1.00 0.00 H new ATOM 0 HA LEU A 66 8.958 -3.427 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.762 -3.914 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.426 -3.494 4.263 1.00 0.00 H new ATOM 0 HG LEU A 66 7.811 -5.986 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.732 -7.253 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.380 -6.103 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.770 -5.727 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.904 -6.756 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.033 -5.209 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.137 -5.242 5.697 1.00 0.00 H new ATOM 997 N ILE A 67 6.195 -1.665 6.275 1.00 0.00 N ATOM 998 CA ILE A 67 5.661 -0.307 6.213 1.00 0.00 C ATOM 999 C ILE A 67 6.090 0.497 7.440 1.00 0.00 C ATOM 1000 O ILE A 67 6.509 1.650 7.324 1.00 0.00 O ATOM 1001 CB ILE A 67 4.118 -0.301 6.118 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.648 -1.159 4.937 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.596 1.122 5.988 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.200 -1.586 5.033 1.00 0.00 C ATOM 0 H ILE A 67 5.484 -2.394 6.332 1.00 0.00 H new ATOM 0 HA ILE A 67 6.066 0.153 5.311 1.00 0.00 H new ATOM 0 HB ILE A 67 3.715 -0.731 7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.792 -0.599 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.276 -2.048 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.508 1.106 5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.898 1.702 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.007 1.580 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.940 -2.189 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.053 -2.174 5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.562 -0.703 5.066 1.00 0.00 H new ATOM 1016 N GLY A 68 5.996 -0.126 8.611 1.00 0.00 N ATOM 1017 CA GLY A 68 6.386 0.538 9.846 1.00 0.00 C ATOM 1018 C GLY A 68 7.896 0.609 10.026 1.00 0.00 C ATOM 1019 O GLY A 68 8.386 1.332 10.895 1.00 0.00 O ATOM 0 H GLY A 68 5.656 -1.081 8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.976 1.548 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.948 0.008 10.692 1.00 0.00 H new ATOM 1023 N LYS A 69 8.635 -0.145 9.205 1.00 0.00 N ATOM 1024 CA LYS A 69 10.095 -0.168 9.275 1.00 0.00 C ATOM 1025 C LYS A 69 10.703 1.166 8.837 1.00 0.00 C ATOM 1026 O LYS A 69 11.698 1.617 9.407 1.00 0.00 O ATOM 1027 CB LYS A 69 10.642 -1.303 8.402 1.00 0.00 C ATOM 1028 CG LYS A 69 12.115 -1.597 8.632 1.00 0.00 C ATOM 1029 CD LYS A 69 12.327 -2.484 9.848 1.00 0.00 C ATOM 1030 CE LYS A 69 13.758 -2.991 9.923 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.970 -3.902 11.083 1.00 0.00 N ATOM 0 H LYS A 69 8.242 -0.748 8.483 1.00 0.00 H new ATOM 0 HA LYS A 69 10.376 -0.337 10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.066 -2.208 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.491 -1.047 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.531 -2.083 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.657 -0.661 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.090 -1.925 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.641 -3.330 9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.005 -3.516 9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.439 -2.143 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.959 -4.224 11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.760 -3.394 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.339 -4.725 10.998 1.00 0.00 H new ATOM 1045 N CYS A 70 10.101 1.793 7.826 1.00 0.00 N ATOM 1046 CA CYS A 70 10.588 3.074 7.318 1.00 0.00 C ATOM 1047 C CYS A 70 10.324 4.193 8.321 1.00 0.00 C ATOM 1048 O CYS A 70 11.234 4.940 8.688 1.00 0.00 O ATOM 1049 CB CYS A 70 9.930 3.403 5.974 1.00 0.00 C ATOM 1050 SG CYS A 70 11.064 4.103 4.751 1.00 0.00 S ATOM 0 H CYS A 70 9.277 1.435 7.344 1.00 0.00 H new ATOM 0 HA CYS A 70 11.665 2.991 7.171 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.488 2.494 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.115 4.107 6.143 1.00 0.00 H new ATOM 0 HG CYS A 70 10.384 4.576 3.749 1.00 0.00 H new ATOM 1056 N SER A 71 9.072 4.302 8.756 1.00 0.00 N ATOM 1057 CA SER A 71 8.666 5.327 9.718 1.00 0.00 C ATOM 1058 C SER A 71 8.842 6.725 9.126 1.00 0.00 C ATOM 1059 O SER A 71 9.200 7.674 9.829 1.00 0.00 O ATOM 1060 CB SER A 71 9.467 5.191 11.017 1.00 0.00 C ATOM 1061 OG SER A 71 8.799 4.350 11.944 1.00 0.00 O ATOM 0 H SER A 71 8.314 3.689 8.456 1.00 0.00 H new ATOM 0 HA SER A 71 7.610 5.182 9.945 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.454 4.784 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.619 6.176 11.459 1.00 0.00 H new ATOM 0 HG SER A 71 8.720 3.448 11.569 1.00 0.00 H new ATOM 1067 N GLY A 72 8.587 6.840 7.825 1.00 0.00 N ATOM 1068 CA GLY A 72 8.718 8.115 7.144 1.00 0.00 C ATOM 1069 C GLY A 72 8.008 8.127 5.803 1.00 0.00 C ATOM 1070 O GLY A 72 7.315 9.089 5.467 1.00 0.00 O ATOM 0 H GLY A 72 8.290 6.068 7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.311 8.905 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.774 8.338 6.995 1.00 0.00 H new ATOM 1074 N VAL A 73 8.183 7.051 5.033 1.00 0.00 N ATOM 1075 CA VAL A 73 7.553 6.939 3.724 1.00 0.00 C ATOM 1076 C VAL A 73 7.555 5.494 3.228 1.00 0.00 C ATOM 1077 O VAL A 73 8.543 4.773 3.377 1.00 0.00 O ATOM 1078 CB VAL A 73 8.248 7.845 2.685 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.729 7.510 2.561 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.557 7.753 1.329 1.00 0.00 C ATOM 0 H VAL A 73 8.755 6.249 5.296 1.00 0.00 H new ATOM 0 HA VAL A 73 6.520 7.269 3.840 1.00 0.00 H new ATOM 0 HB VAL A 73 8.167 8.873 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.190 8.165 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.216 7.652 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.842 6.472 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.067 8.401 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.591 6.724 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.518 8.069 1.428 1.00 0.00 H new ATOM 1090 N LEU A 74 6.436 5.077 2.641 1.00 0.00 N ATOM 1091 CA LEU A 74 6.293 3.721 2.123 1.00 0.00 C ATOM 1092 C LEU A 74 6.152 3.718 0.601 1.00 0.00 C ATOM 1093 O LEU A 74 5.568 4.631 0.020 1.00 0.00 O ATOM 1094 CB LEU A 74 5.078 3.036 2.755 1.00 0.00 C ATOM 1095 CG LEU A 74 4.716 1.673 2.158 1.00 0.00 C ATOM 1096 CD1 LEU A 74 5.714 0.611 2.600 1.00 0.00 C ATOM 1097 CD2 LEU A 74 3.300 1.279 2.549 1.00 0.00 C ATOM 0 H LEU A 74 5.611 5.663 2.512 1.00 0.00 H new ATOM 0 HA LEU A 74 7.196 3.170 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.266 2.910 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.217 3.697 2.659 1.00 0.00 H new ATOM 0 HG LEU A 74 4.762 1.750 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.439 -0.350 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.713 0.889 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.705 0.533 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.060 0.308 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.225 1.221 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.599 2.026 2.177 1.00 0.00 H new ATOM 1109 N HIS A 75 6.682 2.669 -0.030 1.00 0.00 N ATOM 1110 CA HIS A 75 6.610 2.518 -1.481 1.00 0.00 C ATOM 1111 C HIS A 75 5.860 1.236 -1.841 1.00 0.00 C ATOM 1112 O HIS A 75 6.406 0.136 -1.729 1.00 0.00 O ATOM 1113 CB HIS A 75 8.018 2.501 -2.086 1.00 0.00 C ATOM 1114 CG HIS A 75 8.704 3.834 -2.045 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.062 4.679 -3.041 1.00 0.00 N flip ATOM 1116 CD2 HIS A 75 9.105 4.439 -0.871 1.00 0.00 C flip ATOM 1117 CE1 HIS A 75 9.661 5.767 -2.456 1.00 0.00 C flip ATOM 1118 NE2 HIS A 75 9.673 5.599 -1.146 1.00 0.00 N flip ATOM 0 H HIS A 75 7.168 1.909 0.446 1.00 0.00 H new ATOM 0 HA HIS A 75 6.067 3.368 -1.894 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.626 1.772 -1.550 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.956 2.165 -3.121 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.974 4.028 0.119 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.058 6.622 -2.982 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.056 6.253 -0.463 1.00 0.00 H new ATOM 1127 N MET A 76 4.603 1.386 -2.257 1.00 0.00 N ATOM 1128 CA MET A 76 3.768 0.242 -2.618 1.00 0.00 C ATOM 1129 C MET A 76 3.524 0.175 -4.123 1.00 0.00 C ATOM 1130 O MET A 76 3.330 1.200 -4.779 1.00 0.00 O ATOM 1131 CB MET A 76 2.420 0.320 -1.893 1.00 0.00 C ATOM 1132 CG MET A 76 2.497 0.017 -0.405 1.00 0.00 C ATOM 1133 SD MET A 76 0.896 0.157 0.415 1.00 0.00 S ATOM 1134 CE MET A 76 -0.135 -0.811 -0.685 1.00 0.00 C ATOM 0 H MET A 76 4.140 2.290 -2.352 1.00 0.00 H new ATOM 0 HA MET A 76 4.302 -0.659 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.004 1.318 -2.029 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.727 -0.380 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.887 -0.991 -0.263 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.203 0.701 0.065 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.063 -1.074 -0.177 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.363 -0.228 -1.577 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.392 -1.721 -0.971 1.00 0.00 H new ATOM 1144 N VAL A 77 3.513 -1.044 -4.655 1.00 0.00 N ATOM 1145 CA VAL A 77 3.268 -1.268 -6.076 1.00 0.00 C ATOM 1146 C VAL A 77 1.963 -2.038 -6.264 1.00 0.00 C ATOM 1147 O VAL A 77 1.931 -3.266 -6.143 1.00 0.00 O ATOM 1148 CB VAL A 77 4.428 -2.038 -6.740 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.260 -2.067 -8.253 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.767 -1.418 -6.358 1.00 0.00 C ATOM 0 H VAL A 77 3.672 -1.897 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 77 3.193 -0.293 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 77 4.409 -3.066 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.089 -2.615 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.321 -2.560 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.249 -1.047 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.574 -1.973 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.795 -0.380 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.890 -1.456 -5.276 1.00 0.00 H new ATOM 1160 N ILE A 78 0.888 -1.304 -6.540 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.433 -1.903 -6.726 1.00 0.00 C ATOM 1162 C ILE A 78 -0.842 -1.920 -8.199 1.00 0.00 C ATOM 1163 O ILE A 78 -0.171 -1.326 -9.048 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.510 -1.157 -5.908 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.347 0.361 -6.056 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.434 -1.565 -4.443 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.460 1.160 -5.413 1.00 0.00 C ATOM 0 H ILE A 78 0.905 -0.289 -6.640 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.361 -2.930 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.492 -1.432 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.396 0.660 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.299 0.610 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.198 -1.032 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.600 -2.639 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.450 -1.316 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.275 2.224 -5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.412 0.891 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.495 0.941 -4.346 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.941 -2.616 -8.494 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.439 -2.726 -9.862 1.00 0.00 C ATOM 1181 C ALA A 79 -3.958 -2.563 -9.932 1.00 0.00 C ATOM 1182 O ALA A 79 -4.681 -2.980 -9.024 1.00 0.00 O ATOM 1183 CB ALA A 79 -2.032 -4.068 -10.450 1.00 0.00 C ATOM 0 H ALA A 79 -2.502 -3.112 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.996 -1.918 -10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.406 -4.146 -11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.945 -4.149 -10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.453 -4.872 -9.847 1.00 0.00 H new ATOM 1189 N GLU A 80 -4.429 -1.957 -11.024 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.860 -1.734 -11.231 1.00 0.00 C ATOM 1191 C GLU A 80 -6.509 -2.952 -11.886 1.00 0.00 C ATOM 1192 O GLU A 80 -6.230 -3.265 -13.047 1.00 0.00 O ATOM 1193 CB GLU A 80 -6.089 -0.496 -12.106 1.00 0.00 C ATOM 1194 CG GLU A 80 -5.825 0.817 -11.389 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.030 1.795 -12.235 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -5.592 2.327 -13.217 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -3.845 2.027 -11.918 1.00 0.00 O ATOM 0 H GLU A 80 -3.838 -1.611 -11.780 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.319 -1.572 -10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.444 -0.557 -12.982 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.118 -0.502 -12.467 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.776 1.272 -11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.284 0.619 -10.464 1.00 0.00 H new ATOM 1204 N GLY A 81 -7.380 -3.629 -11.141 1.00 0.00 N ATOM 1205 CA GLY A 81 -8.060 -4.802 -11.666 1.00 0.00 C ATOM 1206 C GLY A 81 -9.519 -4.532 -11.985 1.00 0.00 C ATOM 1207 O GLY A 81 -10.395 -5.322 -11.627 1.00 0.00 O ATOM 0 H GLY A 81 -7.627 -3.386 -10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.550 -5.140 -12.568 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.994 -5.612 -10.940 1.00 0.00 H new ATOM 1211 N VAL A 82 -9.781 -3.414 -12.661 1.00 0.00 N ATOM 1212 CA VAL A 82 -11.142 -3.037 -13.032 1.00 0.00 C ATOM 1213 C VAL A 82 -11.284 -2.936 -14.551 1.00 0.00 C ATOM 1214 O VAL A 82 -10.456 -2.313 -15.222 1.00 0.00 O ATOM 1215 CB VAL A 82 -11.553 -1.699 -12.375 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -10.661 -0.557 -12.844 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -13.021 -1.391 -12.647 1.00 0.00 C ATOM 0 H VAL A 82 -9.066 -2.753 -12.963 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.808 -3.819 -12.667 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.421 -1.801 -11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.975 0.370 -12.365 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.626 -0.771 -12.578 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.743 -0.452 -13.926 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.288 -0.445 -12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.184 -1.319 -13.722 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.642 -2.188 -12.238 1.00 0.00 H new ATOM 1227 N GLY A 83 -12.335 -3.557 -15.087 1.00 0.00 N ATOM 1228 CA GLY A 83 -12.570 -3.533 -16.521 1.00 0.00 C ATOM 1229 C GLY A 83 -13.491 -2.405 -16.952 1.00 0.00 C ATOM 1230 O GLY A 83 -14.268 -1.909 -16.108 1.00 0.00 O ATOM 1231 OXT GLY A 83 -13.435 -2.017 -18.138 1.00 0.00 O ATOM 0 H GLY A 83 -13.029 -4.077 -14.550 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.616 -3.434 -17.038 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.002 -4.485 -16.829 1.00 0.00 H new TER 1235 GLY A 83