USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 46:sc= 1.23 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.327 USER MOD Single : A 16 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.6!) USER MOD Single : A 17 THR OG1 : rot 61:sc= 1.17 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.601 USER MOD Single : A 25 THR OG1 : rot 81:sc= -0.825 USER MOD Single : A 29 TYR OH : rot -71:sc= 0.00045 USER MOD Single : A 30 GLN : amide:sc= -0.777 K(o=-0.78,f=-2.8!) USER MOD Single : A 31 GLN : amide:sc=-0.00865 X(o=-0.0086,f=-0.43) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.08 K(o=-2.1,f=-12!) USER MOD Single : A 47 ASN : amide:sc= -4.06! C(o=-4.1!,f=-8!) USER MOD Single : A 49 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.4!) USER MOD Single : A 54 THR OG1 : rot -7:sc= 1.31 USER MOD Single : A 59 HIS : no HD1:sc= -0.984 K(o=-0.98,f=0.069) USER MOD Single : A 64 MET CE :methyl 156:sc= -1.28 (180deg=-3.71!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.713 -35.903 17.311 1.00 0.00 N ATOM 2 CA GLY A 1 14.279 -34.791 16.567 1.00 0.00 C ATOM 3 C GLY A 1 14.012 -34.941 15.068 1.00 0.00 C ATOM 4 O GLY A 1 14.311 -35.981 14.482 1.00 0.00 O ATOM 0 H1 GLY A 1 13.908 -35.777 18.325 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.685 -35.936 17.157 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.141 -36.793 16.984 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.851 -33.854 16.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.353 -34.739 16.745 1.00 0.00 H new ATOM 8 N SER A 2 13.453 -33.888 14.491 1.00 0.00 N ATOM 9 CA SER A 2 13.142 -33.890 13.071 1.00 0.00 C ATOM 10 C SER A 2 13.007 -32.453 12.564 1.00 0.00 C ATOM 11 O SER A 2 12.940 -31.514 13.356 1.00 0.00 O ATOM 12 CB SER A 2 11.860 -34.675 12.789 1.00 0.00 C ATOM 13 OG SER A 2 11.968 -35.468 11.610 1.00 0.00 O ATOM 0 H SER A 2 13.207 -33.027 14.980 1.00 0.00 H new ATOM 0 HA SER A 2 13.959 -34.380 12.542 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.635 -35.319 13.639 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.026 -33.981 12.684 1.00 0.00 H new ATOM 0 HG SER A 2 11.130 -35.955 11.465 1.00 0.00 H new ATOM 19 N SER A 3 12.971 -32.326 11.245 1.00 0.00 N ATOM 20 CA SER A 3 12.845 -31.019 10.623 1.00 0.00 C ATOM 21 C SER A 3 14.092 -30.180 10.909 1.00 0.00 C ATOM 22 O SER A 3 14.830 -30.461 11.852 1.00 0.00 O ATOM 23 CB SER A 3 11.592 -30.292 11.116 1.00 0.00 C ATOM 24 OG SER A 3 10.491 -30.464 10.227 1.00 0.00 O ATOM 0 H SER A 3 13.027 -33.106 10.591 1.00 0.00 H new ATOM 0 HA SER A 3 12.750 -31.161 9.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.322 -30.664 12.104 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.808 -29.229 11.224 1.00 0.00 H new ATOM 0 HG SER A 3 9.710 -29.987 10.577 1.00 0.00 H new ATOM 30 N GLY A 4 14.289 -29.167 10.078 1.00 0.00 N ATOM 31 CA GLY A 4 15.434 -28.286 10.230 1.00 0.00 C ATOM 32 C GLY A 4 15.393 -27.152 9.203 1.00 0.00 C ATOM 33 O GLY A 4 14.348 -26.880 8.614 1.00 0.00 O ATOM 0 H GLY A 4 13.675 -28.937 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.446 -27.869 11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.355 -28.857 10.111 1.00 0.00 H new ATOM 37 N SER A 5 16.544 -26.521 9.021 1.00 0.00 N ATOM 38 CA SER A 5 16.653 -25.422 8.076 1.00 0.00 C ATOM 39 C SER A 5 18.107 -24.958 7.978 1.00 0.00 C ATOM 40 O SER A 5 18.774 -24.775 8.996 1.00 0.00 O ATOM 41 CB SER A 5 15.749 -24.256 8.480 1.00 0.00 C ATOM 42 OG SER A 5 16.251 -23.562 9.619 1.00 0.00 O ATOM 0 H SER A 5 17.409 -26.750 9.511 1.00 0.00 H new ATOM 0 HA SER A 5 16.326 -25.778 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.657 -23.562 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.748 -24.631 8.695 1.00 0.00 H new ATOM 0 HG SER A 5 15.647 -22.824 9.845 1.00 0.00 H new ATOM 48 N SER A 6 18.557 -24.781 6.745 1.00 0.00 N ATOM 49 CA SER A 6 19.921 -24.342 6.501 1.00 0.00 C ATOM 50 C SER A 6 19.932 -22.862 6.112 1.00 0.00 C ATOM 51 O SER A 6 20.569 -22.047 6.776 1.00 0.00 O ATOM 52 CB SER A 6 20.584 -25.184 5.409 1.00 0.00 C ATOM 53 OG SER A 6 22.003 -25.195 5.532 1.00 0.00 O ATOM 0 H SER A 6 18.001 -24.934 5.903 1.00 0.00 H new ATOM 0 HA SER A 6 20.493 -24.474 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.208 -26.206 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.308 -24.791 4.430 1.00 0.00 H new ATOM 0 HG SER A 6 22.389 -25.744 4.818 1.00 0.00 H new ATOM 59 N GLY A 7 19.220 -22.561 5.036 1.00 0.00 N ATOM 60 CA GLY A 7 19.140 -21.194 4.550 1.00 0.00 C ATOM 61 C GLY A 7 19.488 -21.120 3.062 1.00 0.00 C ATOM 62 O GLY A 7 20.063 -22.056 2.508 1.00 0.00 O ATOM 0 H GLY A 7 18.693 -23.240 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.135 -20.805 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.822 -20.562 5.119 1.00 0.00 H new ATOM 66 N ALA A 8 19.127 -19.998 2.458 1.00 0.00 N ATOM 67 CA ALA A 8 19.394 -19.789 1.045 1.00 0.00 C ATOM 68 C ALA A 8 19.213 -18.307 0.709 1.00 0.00 C ATOM 69 O ALA A 8 18.238 -17.687 1.130 1.00 0.00 O ATOM 70 CB ALA A 8 18.480 -20.691 0.213 1.00 0.00 C ATOM 0 H ALA A 8 18.652 -19.224 2.921 1.00 0.00 H new ATOM 0 HA ALA A 8 20.423 -20.058 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 8 18.681 -20.534 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 8 18.669 -21.734 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 8 17.439 -20.449 0.425 1.00 0.00 H new ATOM 76 N ARG A 9 20.167 -17.783 -0.046 1.00 0.00 N ATOM 77 CA ARG A 9 20.125 -16.386 -0.443 1.00 0.00 C ATOM 78 C ARG A 9 18.704 -15.994 -0.852 1.00 0.00 C ATOM 79 O ARG A 9 18.028 -16.742 -1.557 1.00 0.00 O ATOM 80 CB ARG A 9 21.077 -16.116 -1.609 1.00 0.00 C ATOM 81 CG ARG A 9 22.513 -15.934 -1.114 1.00 0.00 C ATOM 82 CD ARG A 9 22.677 -14.596 -0.390 1.00 0.00 C ATOM 83 NE ARG A 9 23.612 -14.747 0.747 1.00 0.00 N ATOM 84 CZ ARG A 9 24.922 -14.995 0.615 1.00 0.00 C ATOM 85 NH1 ARG A 9 25.460 -15.122 -0.606 1.00 0.00 N ATOM 86 NH2 ARG A 9 25.695 -15.117 1.703 1.00 0.00 N ATOM 0 H ARG A 9 20.974 -18.301 -0.393 1.00 0.00 H new ATOM 0 HA ARG A 9 20.439 -15.788 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 9 21.035 -16.944 -2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 9 20.757 -15.222 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 9 22.776 -16.750 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 9 23.201 -15.982 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.052 -13.842 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.709 -14.246 -0.031 1.00 0.00 H new ATOM 0 HE ARG A 9 23.235 -14.657 1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.872 -15.030 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.457 -15.311 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.286 -15.021 2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.692 -15.306 1.602 1.00 0.00 H new ATOM 100 N ALA A 10 18.293 -14.821 -0.393 1.00 0.00 N ATOM 101 CA ALA A 10 16.964 -14.320 -0.702 1.00 0.00 C ATOM 102 C ALA A 10 17.087 -12.994 -1.456 1.00 0.00 C ATOM 103 O ALA A 10 16.649 -12.884 -2.601 1.00 0.00 O ATOM 104 CB ALA A 10 16.156 -14.183 0.590 1.00 0.00 C ATOM 0 H ALA A 10 18.857 -14.203 0.191 1.00 0.00 H new ATOM 0 HA ALA A 10 16.431 -15.019 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.159 -13.807 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.073 -15.157 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.659 -13.487 1.262 1.00 0.00 H new ATOM 110 N CYS A 11 17.685 -12.021 -0.785 1.00 0.00 N ATOM 111 CA CYS A 11 17.870 -10.707 -1.377 1.00 0.00 C ATOM 112 C CYS A 11 18.619 -10.879 -2.700 1.00 0.00 C ATOM 113 O CYS A 11 19.514 -11.716 -2.808 1.00 0.00 O ATOM 114 CB CYS A 11 18.601 -9.756 -0.427 1.00 0.00 C ATOM 115 SG CYS A 11 17.389 -8.807 0.562 1.00 0.00 S ATOM 0 H CYS A 11 18.048 -12.116 0.163 1.00 0.00 H new ATOM 0 HA CYS A 11 16.899 -10.250 -1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 11 19.258 -10.322 0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 11 19.232 -9.074 -0.996 1.00 0.00 H new ATOM 0 HG CYS A 11 18.019 -8.004 1.367 1.00 0.00 H new ATOM 121 N SER A 12 18.225 -10.072 -3.675 1.00 0.00 N ATOM 122 CA SER A 12 18.848 -10.124 -4.987 1.00 0.00 C ATOM 123 C SER A 12 18.310 -8.994 -5.867 1.00 0.00 C ATOM 124 O SER A 12 19.072 -8.146 -6.329 1.00 0.00 O ATOM 125 CB SER A 12 18.608 -11.478 -5.657 1.00 0.00 C ATOM 126 OG SER A 12 19.643 -12.412 -5.359 1.00 0.00 O ATOM 0 H SER A 12 17.482 -9.379 -3.582 1.00 0.00 H new ATOM 0 HA SER A 12 19.923 -9.997 -4.860 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.650 -11.881 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.542 -11.342 -6.736 1.00 0.00 H new ATOM 0 HG SER A 12 19.841 -12.386 -4.400 1.00 0.00 H new ATOM 132 N GLN A 13 17.001 -9.018 -6.071 1.00 0.00 N ATOM 133 CA GLN A 13 16.352 -8.006 -6.887 1.00 0.00 C ATOM 134 C GLN A 13 17.222 -7.664 -8.099 1.00 0.00 C ATOM 135 O GLN A 13 17.850 -6.607 -8.138 1.00 0.00 O ATOM 136 CB GLN A 13 16.042 -6.754 -6.064 1.00 0.00 C ATOM 137 CG GLN A 13 14.953 -5.914 -6.734 1.00 0.00 C ATOM 138 CD GLN A 13 15.247 -4.419 -6.589 1.00 0.00 C ATOM 139 OE1 GLN A 13 14.895 -3.783 -5.610 1.00 0.00 O ATOM 140 NE2 GLN A 13 15.910 -3.896 -7.617 1.00 0.00 N ATOM 0 H GLN A 13 16.372 -9.722 -5.685 1.00 0.00 H new ATOM 0 HA GLN A 13 15.405 -8.409 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.720 -7.043 -5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 13 16.947 -6.157 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.886 -6.174 -7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.985 -6.143 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 13 16.175 -4.486 -8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.154 -2.906 -7.616 1.00 0.00 H new ATOM 149 N SER A 14 17.230 -8.578 -9.058 1.00 0.00 N ATOM 150 CA SER A 14 18.012 -8.386 -10.268 1.00 0.00 C ATOM 151 C SER A 14 17.448 -9.250 -11.398 1.00 0.00 C ATOM 152 O SER A 14 17.970 -10.327 -11.681 1.00 0.00 O ATOM 153 CB SER A 14 19.486 -8.721 -10.030 1.00 0.00 C ATOM 154 OG SER A 14 20.318 -7.568 -10.131 1.00 0.00 O ATOM 0 H SER A 14 16.708 -9.453 -9.022 1.00 0.00 H new ATOM 0 HA SER A 14 17.947 -7.336 -10.554 1.00 0.00 H new ATOM 0 HB2 SER A 14 19.602 -9.166 -9.042 1.00 0.00 H new ATOM 0 HB3 SER A 14 19.810 -9.467 -10.756 1.00 0.00 H new ATOM 0 HG SER A 14 21.251 -7.823 -9.971 1.00 0.00 H new ATOM 160 N SER A 15 16.389 -8.744 -12.013 1.00 0.00 N ATOM 161 CA SER A 15 15.748 -9.456 -13.106 1.00 0.00 C ATOM 162 C SER A 15 14.765 -8.531 -13.827 1.00 0.00 C ATOM 163 O SER A 15 14.986 -8.161 -14.979 1.00 0.00 O ATOM 164 CB SER A 15 15.027 -10.707 -12.601 1.00 0.00 C ATOM 165 OG SER A 15 13.884 -10.384 -11.814 1.00 0.00 O ATOM 0 H SER A 15 15.959 -7.850 -11.775 1.00 0.00 H new ATOM 0 HA SER A 15 16.520 -9.773 -13.807 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.721 -11.317 -13.451 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.717 -11.309 -12.009 1.00 0.00 H new ATOM 0 HG SER A 15 13.451 -11.210 -11.512 1.00 0.00 H new ATOM 171 N GLN A 16 13.699 -8.186 -13.119 1.00 0.00 N ATOM 172 CA GLN A 16 12.681 -7.312 -13.677 1.00 0.00 C ATOM 173 C GLN A 16 11.844 -8.066 -14.712 1.00 0.00 C ATOM 174 O GLN A 16 12.100 -7.972 -15.911 1.00 0.00 O ATOM 175 CB GLN A 16 13.310 -6.058 -14.289 1.00 0.00 C ATOM 176 CG GLN A 16 12.519 -4.806 -13.908 1.00 0.00 C ATOM 177 CD GLN A 16 12.909 -4.314 -12.513 1.00 0.00 C ATOM 178 OE1 GLN A 16 13.767 -4.871 -11.848 1.00 0.00 O ATOM 179 NE2 GLN A 16 12.234 -3.242 -12.108 1.00 0.00 N ATOM 0 H GLN A 16 13.518 -8.496 -12.164 1.00 0.00 H new ATOM 0 HA GLN A 16 12.023 -6.991 -12.870 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.340 -5.960 -13.947 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.342 -6.156 -15.374 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.703 -4.019 -14.639 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.451 -5.024 -13.935 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.528 -2.824 -12.715 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.422 -2.837 -11.191 1.00 0.00 H new ATOM 188 N THR A 17 10.859 -8.797 -14.210 1.00 0.00 N ATOM 189 CA THR A 17 9.982 -9.566 -15.076 1.00 0.00 C ATOM 190 C THR A 17 8.539 -9.497 -14.571 1.00 0.00 C ATOM 191 O THR A 17 8.130 -10.304 -13.737 1.00 0.00 O ATOM 192 CB THR A 17 10.530 -10.993 -15.156 1.00 0.00 C ATOM 193 OG1 THR A 17 10.255 -11.543 -13.870 1.00 0.00 O ATOM 194 CG2 THR A 17 12.056 -11.029 -15.259 1.00 0.00 C ATOM 0 H THR A 17 10.649 -8.873 -13.215 1.00 0.00 H new ATOM 0 HA THR A 17 9.960 -9.153 -16.085 1.00 0.00 H new ATOM 0 HB THR A 17 10.096 -11.501 -16.018 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.288 -11.540 -13.713 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.393 -12.064 -15.313 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.373 -10.497 -16.156 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.491 -10.551 -14.381 1.00 0.00 H new ATOM 202 N ALA A 18 7.808 -8.526 -15.097 1.00 0.00 N ATOM 203 CA ALA A 18 6.420 -8.340 -14.711 1.00 0.00 C ATOM 204 C ALA A 18 6.346 -8.063 -13.208 1.00 0.00 C ATOM 205 O ALA A 18 7.344 -8.191 -12.500 1.00 0.00 O ATOM 206 CB ALA A 18 5.608 -9.572 -15.117 1.00 0.00 C ATOM 0 H ALA A 18 8.151 -7.859 -15.788 1.00 0.00 H new ATOM 0 HA ALA A 18 5.990 -7.481 -15.226 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.566 -9.433 -14.828 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.669 -9.709 -16.197 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.009 -10.453 -14.616 1.00 0.00 H new ATOM 212 N LEU A 19 5.155 -7.688 -12.765 1.00 0.00 N ATOM 213 CA LEU A 19 4.938 -7.392 -11.359 1.00 0.00 C ATOM 214 C LEU A 19 3.639 -8.055 -10.897 1.00 0.00 C ATOM 215 O LEU A 19 2.806 -8.436 -11.718 1.00 0.00 O ATOM 216 CB LEU A 19 4.977 -5.882 -11.118 1.00 0.00 C ATOM 217 CG LEU A 19 3.631 -5.158 -11.180 1.00 0.00 C ATOM 218 CD1 LEU A 19 3.797 -3.665 -10.889 1.00 0.00 C ATOM 219 CD2 LEU A 19 2.935 -5.407 -12.519 1.00 0.00 C ATOM 0 H LEU A 19 4.330 -7.582 -13.355 1.00 0.00 H new ATOM 0 HA LEU A 19 5.742 -7.810 -10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.419 -5.702 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.643 -5.433 -11.855 1.00 0.00 H new ATOM 0 HG LEU A 19 2.987 -5.568 -10.402 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.825 -3.174 -10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.219 -3.533 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.466 -3.223 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.981 -4.881 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.565 -5.042 -13.330 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.763 -6.476 -12.646 1.00 0.00 H new ATOM 231 N PRO A 20 3.504 -8.177 -9.549 1.00 0.00 N ATOM 232 CA PRO A 20 2.321 -8.788 -8.968 1.00 0.00 C ATOM 233 C PRO A 20 1.123 -7.838 -9.037 1.00 0.00 C ATOM 234 O PRO A 20 0.489 -7.558 -8.022 1.00 0.00 O ATOM 235 CB PRO A 20 2.719 -9.139 -7.544 1.00 0.00 C ATOM 236 CG PRO A 20 3.946 -8.297 -7.235 1.00 0.00 C ATOM 237 CD PRO A 20 4.470 -7.737 -8.547 1.00 0.00 C ATOM 0 HA PRO A 20 1.999 -9.678 -9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.910 -8.921 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.941 -10.202 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.691 -7.489 -6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.710 -8.901 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.539 -6.650 -8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.469 -8.113 -8.768 1.00 0.00 H new ATOM 245 N THR A 21 0.850 -7.369 -10.246 1.00 0.00 N ATOM 246 CA THR A 21 -0.260 -6.457 -10.461 1.00 0.00 C ATOM 247 C THR A 21 -0.408 -5.506 -9.272 1.00 0.00 C ATOM 248 O THR A 21 -1.299 -5.678 -8.442 1.00 0.00 O ATOM 249 CB THR A 21 -1.514 -7.292 -10.730 1.00 0.00 C ATOM 250 OG1 THR A 21 -1.041 -8.386 -11.512 1.00 0.00 O ATOM 251 CG2 THR A 21 -2.507 -6.579 -11.649 1.00 0.00 C ATOM 0 H THR A 21 1.378 -7.604 -11.086 1.00 0.00 H new ATOM 0 HA THR A 21 -0.084 -5.819 -11.327 1.00 0.00 H new ATOM 0 HB THR A 21 -2.001 -7.529 -9.784 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.789 -8.980 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.378 -7.215 -11.807 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.821 -5.642 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.031 -6.371 -12.607 1.00 0.00 H new ATOM 259 N SER A 22 0.480 -4.523 -9.228 1.00 0.00 N ATOM 260 CA SER A 22 0.460 -3.544 -8.154 1.00 0.00 C ATOM 261 C SER A 22 -0.808 -2.693 -8.245 1.00 0.00 C ATOM 262 O SER A 22 -1.235 -2.102 -7.255 1.00 0.00 O ATOM 263 CB SER A 22 1.702 -2.652 -8.198 1.00 0.00 C ATOM 264 OG SER A 22 1.745 -1.854 -9.378 1.00 0.00 O ATOM 0 H SER A 22 1.218 -4.384 -9.919 1.00 0.00 H new ATOM 0 HA SER A 22 0.464 -4.079 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.714 -2.004 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.596 -3.273 -8.148 1.00 0.00 H new ATOM 0 HG SER A 22 2.552 -1.298 -9.367 1.00 0.00 H new ATOM 270 N LEU A 23 -1.374 -2.658 -9.443 1.00 0.00 N ATOM 271 CA LEU A 23 -2.584 -1.889 -9.676 1.00 0.00 C ATOM 272 C LEU A 23 -3.794 -2.692 -9.194 1.00 0.00 C ATOM 273 O LEU A 23 -4.934 -2.251 -9.339 1.00 0.00 O ATOM 274 CB LEU A 23 -2.674 -1.462 -11.142 1.00 0.00 C ATOM 275 CG LEU A 23 -2.457 0.026 -11.423 1.00 0.00 C ATOM 276 CD1 LEU A 23 -1.634 0.230 -12.696 1.00 0.00 C ATOM 277 CD2 LEU A 23 -3.791 0.774 -11.476 1.00 0.00 C ATOM 0 H LEU A 23 -1.017 -3.150 -10.262 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.564 -0.964 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.938 -2.030 -11.711 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.656 -1.743 -11.522 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.883 0.449 -10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.495 1.297 -12.872 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.662 -0.249 -12.581 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.158 -0.212 -13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.608 1.830 -11.677 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.411 0.356 -12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.305 0.670 -10.520 1.00 0.00 H new ATOM 289 N PHE A 24 -3.506 -3.856 -8.631 1.00 0.00 N ATOM 290 CA PHE A 24 -4.556 -4.724 -8.127 1.00 0.00 C ATOM 291 C PHE A 24 -4.467 -4.866 -6.606 1.00 0.00 C ATOM 292 O PHE A 24 -5.349 -5.454 -5.981 1.00 0.00 O ATOM 293 CB PHE A 24 -4.348 -6.097 -8.769 1.00 0.00 C ATOM 294 CG PHE A 24 -5.587 -6.648 -9.476 1.00 0.00 C ATOM 295 CD1 PHE A 24 -5.972 -6.132 -10.674 1.00 0.00 C ATOM 296 CD2 PHE A 24 -6.305 -7.654 -8.907 1.00 0.00 C ATOM 297 CE1 PHE A 24 -7.123 -6.643 -11.331 1.00 0.00 C ATOM 298 CE2 PHE A 24 -7.455 -8.165 -9.564 1.00 0.00 C ATOM 299 CZ PHE A 24 -7.840 -7.649 -10.762 1.00 0.00 C ATOM 0 H PHE A 24 -2.560 -4.218 -8.513 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.533 -4.306 -8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.532 -6.030 -9.488 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.038 -6.803 -7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.402 -5.333 -11.126 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.000 -8.064 -7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.429 -6.233 -12.282 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.024 -8.964 -9.112 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.715 -8.038 -11.261 1.00 0.00 H new ATOM 309 N THR A 25 -3.394 -4.318 -6.054 1.00 0.00 N ATOM 310 CA THR A 25 -3.179 -4.377 -4.618 1.00 0.00 C ATOM 311 C THR A 25 -3.722 -3.114 -3.946 1.00 0.00 C ATOM 312 O THR A 25 -3.983 -3.110 -2.744 1.00 0.00 O ATOM 313 CB THR A 25 -1.686 -4.601 -4.373 1.00 0.00 C ATOM 314 OG1 THR A 25 -1.048 -3.836 -5.392 1.00 0.00 O ATOM 315 CG2 THR A 25 -1.255 -6.041 -4.663 1.00 0.00 C ATOM 0 H THR A 25 -2.665 -3.831 -6.575 1.00 0.00 H new ATOM 0 HA THR A 25 -3.725 -5.207 -4.169 1.00 0.00 H new ATOM 0 HB THR A 25 -1.446 -4.351 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.014 -2.895 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.187 -6.146 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.807 -6.723 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.464 -6.280 -5.706 1.00 0.00 H new ATOM 323 N GLU A 26 -3.876 -2.073 -4.751 1.00 0.00 N ATOM 324 CA GLU A 26 -4.384 -0.808 -4.248 1.00 0.00 C ATOM 325 C GLU A 26 -5.913 -0.791 -4.299 1.00 0.00 C ATOM 326 O GLU A 26 -6.537 0.221 -3.986 1.00 0.00 O ATOM 327 CB GLU A 26 -3.797 0.368 -5.032 1.00 0.00 C ATOM 328 CG GLU A 26 -2.272 0.267 -5.112 1.00 0.00 C ATOM 329 CD GLU A 26 -1.624 1.648 -4.991 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.255 2.517 -4.350 1.00 0.00 O ATOM 331 OE2 GLU A 26 -0.514 1.804 -5.543 1.00 0.00 O ATOM 0 H GLU A 26 -3.658 -2.080 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.074 -0.702 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.217 0.385 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.078 1.306 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.905 -0.382 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.983 -0.193 -6.057 1.00 0.00 H new ATOM 338 N GLY A 27 -6.472 -1.925 -4.695 1.00 0.00 N ATOM 339 CA GLY A 27 -7.916 -2.054 -4.790 1.00 0.00 C ATOM 340 C GLY A 27 -8.445 -3.067 -3.773 1.00 0.00 C ATOM 341 O GLY A 27 -9.568 -2.938 -3.289 1.00 0.00 O ATOM 0 H GLY A 27 -5.951 -2.763 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.383 -1.084 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.191 -2.367 -5.797 1.00 0.00 H new ATOM 345 N ARG A 28 -7.610 -4.053 -3.479 1.00 0.00 N ATOM 346 CA ARG A 28 -7.979 -5.088 -2.528 1.00 0.00 C ATOM 347 C ARG A 28 -7.960 -4.531 -1.104 1.00 0.00 C ATOM 348 O ARG A 28 -9.011 -4.340 -0.494 1.00 0.00 O ATOM 349 CB ARG A 28 -7.024 -6.281 -2.615 1.00 0.00 C ATOM 350 CG ARG A 28 -7.739 -7.515 -3.168 1.00 0.00 C ATOM 351 CD ARG A 28 -6.780 -8.703 -3.271 1.00 0.00 C ATOM 352 NE ARG A 28 -7.440 -9.827 -3.972 1.00 0.00 N ATOM 353 CZ ARG A 28 -8.342 -10.640 -3.406 1.00 0.00 C ATOM 354 NH1 ARG A 28 -8.697 -10.459 -2.126 1.00 0.00 N ATOM 355 NH2 ARG A 28 -8.889 -11.634 -4.119 1.00 0.00 N ATOM 0 H ARG A 28 -6.679 -4.157 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.986 -5.424 -2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.178 -6.029 -3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.621 -6.502 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.577 -7.774 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.152 -7.290 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.879 -8.408 -3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.469 -9.017 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.193 -9.993 -4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.280 -9.702 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.384 -11.078 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.619 -11.772 -5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.576 -12.253 -3.688 1.00 0.00 H new ATOM 369 N TYR A 29 -6.753 -4.286 -0.614 1.00 0.00 N ATOM 370 CA TYR A 29 -6.584 -3.755 0.728 1.00 0.00 C ATOM 371 C TYR A 29 -6.605 -2.225 0.718 1.00 0.00 C ATOM 372 O TYR A 29 -5.822 -1.585 1.420 1.00 0.00 O ATOM 373 CB TYR A 29 -5.209 -4.231 1.200 1.00 0.00 C ATOM 374 CG TYR A 29 -4.789 -5.585 0.624 1.00 0.00 C ATOM 375 CD1 TYR A 29 -5.666 -6.650 0.653 1.00 0.00 C ATOM 376 CD2 TYR A 29 -3.532 -5.742 0.077 1.00 0.00 C ATOM 377 CE1 TYR A 29 -5.271 -7.924 0.111 1.00 0.00 C ATOM 378 CE2 TYR A 29 -3.136 -7.016 -0.465 1.00 0.00 C ATOM 379 CZ TYR A 29 -4.025 -8.044 -0.421 1.00 0.00 C ATOM 380 OH TYR A 29 -3.651 -9.247 -0.933 1.00 0.00 O ATOM 0 H TYR A 29 -5.883 -4.445 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.390 -4.094 1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.464 -3.484 0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.212 -4.295 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.649 -6.528 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.845 -4.909 0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.948 -8.765 0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.155 -7.152 -0.897 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.520 -9.887 -0.202 1.00 0.00 H new ATOM 390 N GLN A 30 -7.508 -1.682 -0.085 1.00 0.00 N ATOM 391 CA GLN A 30 -7.641 -0.239 -0.195 1.00 0.00 C ATOM 392 C GLN A 30 -7.965 0.370 1.171 1.00 0.00 C ATOM 393 O GLN A 30 -7.386 1.385 1.555 1.00 0.00 O ATOM 394 CB GLN A 30 -8.703 0.136 -1.229 1.00 0.00 C ATOM 395 CG GLN A 30 -8.285 1.378 -2.019 1.00 0.00 C ATOM 396 CD GLN A 30 -9.033 1.458 -3.352 1.00 0.00 C ATOM 397 OE1 GLN A 30 -9.855 0.620 -3.683 1.00 0.00 O ATOM 398 NE2 GLN A 30 -8.704 2.511 -4.094 1.00 0.00 N ATOM 0 H GLN A 30 -8.155 -2.215 -0.666 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.690 0.169 -0.536 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.861 -0.698 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.653 0.322 -0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.487 2.273 -1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.211 1.353 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.007 3.175 -3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.149 2.655 -5.001 1.00 0.00 H new ATOM 407 N GLN A 31 -8.891 -0.276 1.866 1.00 0.00 N ATOM 408 CA GLN A 31 -9.299 0.190 3.180 1.00 0.00 C ATOM 409 C GLN A 31 -8.161 0.006 4.186 1.00 0.00 C ATOM 410 O GLN A 31 -7.974 0.834 5.075 1.00 0.00 O ATOM 411 CB GLN A 31 -10.566 -0.530 3.647 1.00 0.00 C ATOM 412 CG GLN A 31 -11.814 0.092 3.019 1.00 0.00 C ATOM 413 CD GLN A 31 -12.448 1.119 3.960 1.00 0.00 C ATOM 414 OE1 GLN A 31 -11.792 1.724 4.792 1.00 0.00 O ATOM 415 NE2 GLN A 31 -13.756 1.281 3.783 1.00 0.00 N ATOM 0 H GLN A 31 -9.369 -1.117 1.544 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.528 1.253 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.508 -1.585 3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.638 -0.479 4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.551 0.571 2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.537 -0.690 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.244 0.742 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.271 1.944 4.362 1.00 0.00 H new ATOM 424 N GLU A 32 -7.431 -1.086 4.012 1.00 0.00 N ATOM 425 CA GLU A 32 -6.316 -1.389 4.893 1.00 0.00 C ATOM 426 C GLU A 32 -5.377 -0.186 4.995 1.00 0.00 C ATOM 427 O GLU A 32 -5.094 0.294 6.091 1.00 0.00 O ATOM 428 CB GLU A 32 -5.564 -2.633 4.417 1.00 0.00 C ATOM 429 CG GLU A 32 -6.274 -3.911 4.870 1.00 0.00 C ATOM 430 CD GLU A 32 -7.536 -4.159 4.042 1.00 0.00 C ATOM 431 OE1 GLU A 32 -8.473 -3.343 4.178 1.00 0.00 O ATOM 432 OE2 GLU A 32 -7.536 -5.160 3.293 1.00 0.00 O ATOM 0 H GLU A 32 -7.590 -1.772 3.274 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.711 -1.601 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.487 -2.622 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.547 -2.619 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.598 -4.761 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.537 -3.831 5.925 1.00 0.00 H new ATOM 439 N LEU A 33 -4.920 0.267 3.836 1.00 0.00 N ATOM 440 CA LEU A 33 -4.019 1.405 3.781 1.00 0.00 C ATOM 441 C LEU A 33 -4.625 2.569 4.568 1.00 0.00 C ATOM 442 O LEU A 33 -3.911 3.297 5.256 1.00 0.00 O ATOM 443 CB LEU A 33 -3.683 1.753 2.330 1.00 0.00 C ATOM 444 CG LEU A 33 -3.181 0.597 1.462 1.00 0.00 C ATOM 445 CD1 LEU A 33 -3.768 0.675 0.051 1.00 0.00 C ATOM 446 CD2 LEU A 33 -1.652 0.548 1.445 1.00 0.00 C ATOM 0 H LEU A 33 -5.157 -0.134 2.928 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.068 1.161 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.574 2.172 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.925 2.536 2.331 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.528 -0.337 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.395 -0.158 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.855 0.624 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.472 1.615 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.321 -0.282 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.262 1.483 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.281 0.409 2.460 1.00 0.00 H new ATOM 458 N GLU A 34 -5.936 2.709 4.439 1.00 0.00 N ATOM 459 CA GLU A 34 -6.647 3.772 5.130 1.00 0.00 C ATOM 460 C GLU A 34 -6.608 3.541 6.642 1.00 0.00 C ATOM 461 O GLU A 34 -6.477 4.489 7.415 1.00 0.00 O ATOM 462 CB GLU A 34 -8.088 3.884 4.628 1.00 0.00 C ATOM 463 CG GLU A 34 -8.148 4.633 3.296 1.00 0.00 C ATOM 464 CD GLU A 34 -9.376 5.544 3.234 1.00 0.00 C ATOM 465 OE1 GLU A 34 -9.314 6.624 3.860 1.00 0.00 O ATOM 466 OE2 GLU A 34 -10.350 5.139 2.562 1.00 0.00 O ATOM 0 H GLU A 34 -6.525 2.104 3.866 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.148 4.717 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.514 2.888 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.696 4.403 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.243 5.227 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.179 3.918 2.474 1.00 0.00 H new ATOM 473 N GLU A 35 -6.725 2.277 7.018 1.00 0.00 N ATOM 474 CA GLU A 35 -6.706 1.909 8.424 1.00 0.00 C ATOM 475 C GLU A 35 -5.368 2.299 9.056 1.00 0.00 C ATOM 476 O GLU A 35 -5.330 3.082 10.004 1.00 0.00 O ATOM 477 CB GLU A 35 -6.983 0.416 8.604 1.00 0.00 C ATOM 478 CG GLU A 35 -8.296 0.188 9.355 1.00 0.00 C ATOM 479 CD GLU A 35 -8.287 0.905 10.707 1.00 0.00 C ATOM 480 OE1 GLU A 35 -7.318 1.659 10.942 1.00 0.00 O ATOM 481 OE2 GLU A 35 -9.248 0.683 11.474 1.00 0.00 O ATOM 0 H GLU A 35 -6.833 1.494 6.374 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.500 2.456 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.029 -0.069 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.162 -0.046 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.130 0.549 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.451 -0.880 9.507 1.00 0.00 H new ATOM 488 N LEU A 36 -4.303 1.735 8.505 1.00 0.00 N ATOM 489 CA LEU A 36 -2.966 2.014 9.002 1.00 0.00 C ATOM 490 C LEU A 36 -2.775 3.528 9.117 1.00 0.00 C ATOM 491 O LEU A 36 -2.103 4.005 10.030 1.00 0.00 O ATOM 492 CB LEU A 36 -1.915 1.326 8.129 1.00 0.00 C ATOM 493 CG LEU A 36 -2.125 -0.169 7.880 1.00 0.00 C ATOM 494 CD1 LEU A 36 -1.875 -0.520 6.412 1.00 0.00 C ATOM 495 CD2 LEU A 36 -1.263 -1.008 8.825 1.00 0.00 C ATOM 0 H LEU A 36 -4.339 1.086 7.719 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.837 1.599 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.883 1.834 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.939 1.463 8.594 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.166 -0.409 8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.031 -1.588 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.566 0.040 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.850 -0.262 6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.431 -2.067 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.211 -0.771 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.532 -0.785 9.857 1.00 0.00 H new ATOM 507 N LYS A 37 -3.379 4.241 8.178 1.00 0.00 N ATOM 508 CA LYS A 37 -3.283 5.691 8.163 1.00 0.00 C ATOM 509 C LYS A 37 -3.881 6.251 9.455 1.00 0.00 C ATOM 510 O LYS A 37 -3.700 7.427 9.768 1.00 0.00 O ATOM 511 CB LYS A 37 -3.924 6.257 6.894 1.00 0.00 C ATOM 512 CG LYS A 37 -4.221 7.750 7.048 1.00 0.00 C ATOM 513 CD LYS A 37 -4.374 8.422 5.682 1.00 0.00 C ATOM 514 CE LYS A 37 -5.270 7.593 4.760 1.00 0.00 C ATOM 515 NZ LYS A 37 -5.283 8.168 3.396 1.00 0.00 N ATOM 0 H LYS A 37 -3.936 3.842 7.423 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.239 6.003 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.258 6.101 6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.847 5.719 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.134 7.885 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.416 8.229 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.799 9.418 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.393 8.549 5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.912 6.564 4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.284 7.564 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.896 7.593 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.646 9.142 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.316 8.173 3.012 1.00 0.00 H new ATOM 529 N ALA A 38 -4.580 5.383 10.171 1.00 0.00 N ATOM 530 CA ALA A 38 -5.205 5.776 11.422 1.00 0.00 C ATOM 531 C ALA A 38 -4.575 4.987 12.572 1.00 0.00 C ATOM 532 O ALA A 38 -4.375 5.522 13.661 1.00 0.00 O ATOM 533 CB ALA A 38 -6.717 5.562 11.327 1.00 0.00 C ATOM 0 H ALA A 38 -4.727 4.408 9.908 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.038 6.835 11.619 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.186 5.857 12.266 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.120 6.167 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.924 4.510 11.133 1.00 0.00 H new ATOM 539 N LEU A 39 -4.280 3.726 12.290 1.00 0.00 N ATOM 540 CA LEU A 39 -3.678 2.857 13.287 1.00 0.00 C ATOM 541 C LEU A 39 -2.387 3.497 13.801 1.00 0.00 C ATOM 542 O LEU A 39 -2.117 3.482 15.001 1.00 0.00 O ATOM 543 CB LEU A 39 -3.484 1.448 12.723 1.00 0.00 C ATOM 544 CG LEU A 39 -4.725 0.792 12.116 1.00 0.00 C ATOM 545 CD1 LEU A 39 -4.349 -0.450 11.307 1.00 0.00 C ATOM 546 CD2 LEU A 39 -5.763 0.479 13.196 1.00 0.00 C ATOM 0 H LEU A 39 -4.447 3.286 11.385 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.342 2.743 14.144 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.708 1.488 11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.112 0.806 13.522 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.182 1.500 11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.250 -0.897 10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.673 -0.168 10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.855 -1.172 11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.636 0.013 12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.331 -0.202 13.929 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.063 1.403 13.691 1.00 0.00 H new ATOM 558 N GLY A 40 -1.623 4.045 12.867 1.00 0.00 N ATOM 559 CA GLY A 40 -0.366 4.689 13.211 1.00 0.00 C ATOM 560 C GLY A 40 0.591 4.695 12.017 1.00 0.00 C ATOM 561 O GLY A 40 1.790 4.475 12.177 1.00 0.00 O ATOM 0 H GLY A 40 -1.850 4.056 11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.554 5.712 13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.096 4.168 14.050 1.00 0.00 H new ATOM 565 N PHE A 41 0.025 4.950 10.847 1.00 0.00 N ATOM 566 CA PHE A 41 0.813 4.989 9.626 1.00 0.00 C ATOM 567 C PHE A 41 0.239 6.002 8.634 1.00 0.00 C ATOM 568 O PHE A 41 -0.489 6.914 9.024 1.00 0.00 O ATOM 569 CB PHE A 41 0.745 3.592 9.007 1.00 0.00 C ATOM 570 CG PHE A 41 1.039 2.458 9.992 1.00 0.00 C ATOM 571 CD1 PHE A 41 2.316 2.029 10.173 1.00 0.00 C ATOM 572 CD2 PHE A 41 0.022 1.881 10.687 1.00 0.00 C ATOM 573 CE1 PHE A 41 2.588 0.977 11.088 1.00 0.00 C ATOM 574 CE2 PHE A 41 0.294 0.830 11.601 1.00 0.00 C ATOM 575 CZ PHE A 41 1.571 0.400 11.783 1.00 0.00 C ATOM 0 H PHE A 41 -0.970 5.132 10.718 1.00 0.00 H new ATOM 0 HA PHE A 41 1.837 5.285 9.853 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.248 3.442 8.583 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.456 3.536 8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.123 2.488 9.621 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.992 2.223 10.543 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.602 0.635 11.232 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.514 0.372 12.152 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.778 -0.399 12.479 1.00 0.00 H new ATOM 585 N ALA A 42 0.588 5.809 7.371 1.00 0.00 N ATOM 586 CA ALA A 42 0.117 6.695 6.320 1.00 0.00 C ATOM 587 C ALA A 42 0.738 6.274 4.987 1.00 0.00 C ATOM 588 O ALA A 42 0.089 6.345 3.945 1.00 0.00 O ATOM 589 CB ALA A 42 0.448 8.143 6.686 1.00 0.00 C ATOM 0 H ALA A 42 1.192 5.052 7.051 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.966 6.625 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.095 8.807 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.041 8.402 7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.527 8.253 6.797 1.00 0.00 H new ATOM 595 N ASN A 43 1.989 5.843 5.064 1.00 0.00 N ATOM 596 CA ASN A 43 2.706 5.411 3.876 1.00 0.00 C ATOM 597 C ASN A 43 1.952 4.248 3.227 1.00 0.00 C ATOM 598 O ASN A 43 2.266 3.085 3.475 1.00 0.00 O ATOM 599 CB ASN A 43 4.113 4.925 4.228 1.00 0.00 C ATOM 600 CG ASN A 43 4.934 4.660 2.964 1.00 0.00 C ATOM 601 OD1 ASN A 43 4.409 4.366 1.902 1.00 0.00 O ATOM 602 ND2 ASN A 43 6.247 4.778 3.137 1.00 0.00 N ATOM 0 H ASN A 43 2.524 5.784 5.930 1.00 0.00 H new ATOM 0 HA ASN A 43 2.778 6.261 3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.616 5.671 4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.049 4.013 4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.881 4.620 2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.620 5.027 4.053 1.00 0.00 H new ATOM 609 N ARG A 44 0.974 4.602 2.407 1.00 0.00 N ATOM 610 CA ARG A 44 0.173 3.603 1.720 1.00 0.00 C ATOM 611 C ARG A 44 1.077 2.540 1.091 1.00 0.00 C ATOM 612 O ARG A 44 0.827 1.344 1.234 1.00 0.00 O ATOM 613 CB ARG A 44 -0.688 4.241 0.629 1.00 0.00 C ATOM 614 CG ARG A 44 -1.401 3.173 -0.202 1.00 0.00 C ATOM 615 CD ARG A 44 -2.099 3.795 -1.413 1.00 0.00 C ATOM 616 NE ARG A 44 -3.566 3.770 -1.220 1.00 0.00 N ATOM 617 CZ ARG A 44 -4.255 4.716 -0.568 1.00 0.00 C ATOM 618 NH1 ARG A 44 -3.614 5.769 -0.043 1.00 0.00 N ATOM 619 NH2 ARG A 44 -5.585 4.610 -0.442 1.00 0.00 N ATOM 0 H ARG A 44 0.718 5.568 2.203 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.482 3.139 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.424 4.905 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.063 4.855 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.680 2.427 -0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.133 2.654 0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.760 4.822 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.834 3.247 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.085 2.983 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.602 5.850 -0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.138 6.490 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.073 3.809 -0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.109 5.330 0.055 1.00 0.00 H new ATOM 633 N ASP A 45 2.109 3.015 0.409 1.00 0.00 N ATOM 634 CA ASP A 45 3.050 2.120 -0.242 1.00 0.00 C ATOM 635 C ASP A 45 3.593 1.123 0.784 1.00 0.00 C ATOM 636 O ASP A 45 3.351 -0.078 0.674 1.00 0.00 O ATOM 637 CB ASP A 45 4.236 2.895 -0.820 1.00 0.00 C ATOM 638 CG ASP A 45 4.258 3.000 -2.347 1.00 0.00 C ATOM 639 OD1 ASP A 45 3.939 1.977 -2.990 1.00 0.00 O ATOM 640 OD2 ASP A 45 4.592 4.101 -2.835 1.00 0.00 O ATOM 0 H ASP A 45 2.314 4.007 0.293 1.00 0.00 H new ATOM 0 HA ASP A 45 2.525 1.607 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.232 3.902 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.158 2.417 -0.490 1.00 0.00 H new ATOM 645 N ALA A 46 4.315 1.658 1.757 1.00 0.00 N ATOM 646 CA ALA A 46 4.894 0.830 2.801 1.00 0.00 C ATOM 647 C ALA A 46 3.810 -0.079 3.385 1.00 0.00 C ATOM 648 O ALA A 46 4.024 -1.279 3.552 1.00 0.00 O ATOM 649 CB ALA A 46 5.539 1.723 3.863 1.00 0.00 C ATOM 0 H ALA A 46 4.512 2.655 1.845 1.00 0.00 H new ATOM 0 HA ALA A 46 5.677 0.191 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.973 1.101 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.321 2.327 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.783 2.377 4.297 1.00 0.00 H new ATOM 655 N ASN A 47 2.669 0.528 3.678 1.00 0.00 N ATOM 656 CA ASN A 47 1.551 -0.212 4.239 1.00 0.00 C ATOM 657 C ASN A 47 1.217 -1.393 3.326 1.00 0.00 C ATOM 658 O ASN A 47 1.002 -2.508 3.801 1.00 0.00 O ATOM 659 CB ASN A 47 0.305 0.670 4.346 1.00 0.00 C ATOM 660 CG ASN A 47 0.427 1.652 5.513 1.00 0.00 C ATOM 661 OD1 ASN A 47 1.288 1.535 6.369 1.00 0.00 O ATOM 662 ND2 ASN A 47 -0.481 2.624 5.500 1.00 0.00 N ATOM 0 H ASN A 47 2.495 1.523 3.538 1.00 0.00 H new ATOM 0 HA ASN A 47 1.838 -0.553 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.164 1.221 3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.577 0.044 4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.484 3.329 6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.175 2.664 4.753 1.00 0.00 H new ATOM 669 N LEU A 48 1.184 -1.109 2.033 1.00 0.00 N ATOM 670 CA LEU A 48 0.879 -2.135 1.049 1.00 0.00 C ATOM 671 C LEU A 48 2.021 -3.152 1.009 1.00 0.00 C ATOM 672 O LEU A 48 1.822 -4.326 1.314 1.00 0.00 O ATOM 673 CB LEU A 48 0.573 -1.500 -0.309 1.00 0.00 C ATOM 674 CG LEU A 48 -0.575 -2.131 -1.100 1.00 0.00 C ATOM 675 CD1 LEU A 48 -1.758 -2.455 -0.186 1.00 0.00 C ATOM 676 CD2 LEU A 48 -0.986 -1.240 -2.274 1.00 0.00 C ATOM 0 H LEU A 48 1.363 -0.184 1.643 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.023 -2.678 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.344 -0.446 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.475 -1.542 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.223 -3.074 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.560 -2.902 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.440 -3.155 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.118 -1.539 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.803 -1.711 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.312 -0.270 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.136 -1.103 -2.942 1.00 0.00 H new ATOM 688 N GLN A 49 3.193 -2.663 0.629 1.00 0.00 N ATOM 689 CA GLN A 49 4.367 -3.515 0.545 1.00 0.00 C ATOM 690 C GLN A 49 4.417 -4.470 1.740 1.00 0.00 C ATOM 691 O GLN A 49 4.819 -5.624 1.600 1.00 0.00 O ATOM 692 CB GLN A 49 5.646 -2.679 0.458 1.00 0.00 C ATOM 693 CG GLN A 49 6.670 -3.133 1.500 1.00 0.00 C ATOM 694 CD GLN A 49 8.053 -2.552 1.199 1.00 0.00 C ATOM 695 OE1 GLN A 49 8.370 -2.183 0.080 1.00 0.00 O ATOM 696 NE2 GLN A 49 8.857 -2.493 2.257 1.00 0.00 N ATOM 0 H GLN A 49 3.354 -1.688 0.376 1.00 0.00 H new ATOM 0 HA GLN A 49 4.297 -4.108 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.075 -2.766 -0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.408 -1.626 0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.348 -2.819 2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.724 -4.222 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.529 -2.819 3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.802 -2.122 2.159 1.00 0.00 H new ATOM 705 N ALA A 50 4.003 -3.953 2.887 1.00 0.00 N ATOM 706 CA ALA A 50 3.995 -4.746 4.105 1.00 0.00 C ATOM 707 C ALA A 50 2.771 -5.663 4.104 1.00 0.00 C ATOM 708 O ALA A 50 2.870 -6.836 4.460 1.00 0.00 O ATOM 709 CB ALA A 50 4.025 -3.816 5.320 1.00 0.00 C ATOM 0 H ALA A 50 3.671 -2.995 2.999 1.00 0.00 H new ATOM 0 HA ALA A 50 4.881 -5.379 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.019 -4.411 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.928 -3.207 5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.149 -3.167 5.303 1.00 0.00 H new ATOM 715 N LEU A 51 1.645 -5.094 3.699 1.00 0.00 N ATOM 716 CA LEU A 51 0.403 -5.846 3.646 1.00 0.00 C ATOM 717 C LEU A 51 0.576 -7.042 2.708 1.00 0.00 C ATOM 718 O LEU A 51 0.384 -8.187 3.115 1.00 0.00 O ATOM 719 CB LEU A 51 -0.762 -4.930 3.267 1.00 0.00 C ATOM 720 CG LEU A 51 -1.358 -4.097 4.403 1.00 0.00 C ATOM 721 CD1 LEU A 51 -1.663 -2.672 3.937 1.00 0.00 C ATOM 722 CD2 LEU A 51 -2.590 -4.782 4.998 1.00 0.00 C ATOM 0 H LEU A 51 1.567 -4.121 3.404 1.00 0.00 H new ATOM 0 HA LEU A 51 0.157 -6.245 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.424 -4.251 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.555 -5.543 2.838 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.616 -4.023 5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.086 -2.101 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.743 -2.195 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.378 -2.703 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.994 -4.169 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.346 -4.907 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.309 -5.759 5.392 1.00 0.00 H new ATOM 734 N VAL A 52 0.936 -6.736 1.471 1.00 0.00 N ATOM 735 CA VAL A 52 1.137 -7.772 0.472 1.00 0.00 C ATOM 736 C VAL A 52 2.136 -8.801 1.004 1.00 0.00 C ATOM 737 O VAL A 52 2.004 -9.995 0.739 1.00 0.00 O ATOM 738 CB VAL A 52 1.573 -7.144 -0.853 1.00 0.00 C ATOM 739 CG1 VAL A 52 0.467 -6.258 -1.431 1.00 0.00 C ATOM 740 CG2 VAL A 52 2.874 -6.356 -0.684 1.00 0.00 C ATOM 0 H VAL A 52 1.094 -5.785 1.137 1.00 0.00 H new ATOM 0 HA VAL A 52 0.203 -8.298 0.275 1.00 0.00 H new ATOM 0 HB VAL A 52 1.759 -7.952 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.803 -5.824 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.426 -6.858 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.235 -5.460 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.162 -5.920 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.726 -5.561 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.662 -7.025 -0.338 1.00 0.00 H new ATOM 750 N ALA A 53 3.114 -8.300 1.745 1.00 0.00 N ATOM 751 CA ALA A 53 4.136 -9.161 2.316 1.00 0.00 C ATOM 752 C ALA A 53 3.477 -10.173 3.256 1.00 0.00 C ATOM 753 O ALA A 53 4.014 -11.256 3.483 1.00 0.00 O ATOM 754 CB ALA A 53 5.187 -8.305 3.025 1.00 0.00 C ATOM 0 H ALA A 53 3.220 -7.309 1.963 1.00 0.00 H new ATOM 0 HA ALA A 53 4.647 -9.722 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.954 -8.951 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.645 -7.624 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.712 -7.730 3.820 1.00 0.00 H new ATOM 760 N THR A 54 2.323 -9.783 3.777 1.00 0.00 N ATOM 761 CA THR A 54 1.585 -10.642 4.688 1.00 0.00 C ATOM 762 C THR A 54 0.349 -11.219 3.994 1.00 0.00 C ATOM 763 O THR A 54 -0.498 -11.836 4.638 1.00 0.00 O ATOM 764 CB THR A 54 1.254 -9.830 5.941 1.00 0.00 C ATOM 765 OG1 THR A 54 0.379 -8.808 5.471 1.00 0.00 O ATOM 766 CG2 THR A 54 2.465 -9.065 6.480 1.00 0.00 C ATOM 0 H THR A 54 1.881 -8.884 3.586 1.00 0.00 H new ATOM 0 HA THR A 54 2.182 -11.503 4.990 1.00 0.00 H new ATOM 0 HB THR A 54 0.872 -10.496 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.329 -8.844 4.493 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.175 -8.505 7.369 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.256 -9.770 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.827 -8.374 5.719 1.00 0.00 H new ATOM 774 N ASP A 55 0.286 -10.997 2.689 1.00 0.00 N ATOM 775 CA ASP A 55 -0.832 -11.487 1.900 1.00 0.00 C ATOM 776 C ASP A 55 -2.039 -10.570 2.110 1.00 0.00 C ATOM 777 O ASP A 55 -3.179 -10.978 1.890 1.00 0.00 O ATOM 778 CB ASP A 55 -1.231 -12.900 2.329 1.00 0.00 C ATOM 779 CG ASP A 55 -1.556 -13.857 1.180 1.00 0.00 C ATOM 780 OD1 ASP A 55 -0.598 -14.476 0.669 1.00 0.00 O ATOM 781 OD2 ASP A 55 -2.755 -13.949 0.839 1.00 0.00 O ATOM 0 H ASP A 55 0.991 -10.485 2.158 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.527 -11.501 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.420 -13.327 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.100 -12.833 2.983 1.00 0.00 H new ATOM 786 N GLY A 56 -1.748 -9.349 2.534 1.00 0.00 N ATOM 787 CA GLY A 56 -2.795 -8.372 2.776 1.00 0.00 C ATOM 788 C GLY A 56 -3.333 -8.487 4.204 1.00 0.00 C ATOM 789 O GLY A 56 -4.533 -8.343 4.432 1.00 0.00 O ATOM 0 H GLY A 56 -0.802 -9.014 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.405 -7.368 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.607 -8.520 2.064 1.00 0.00 H new ATOM 793 N ASP A 57 -2.419 -8.744 5.128 1.00 0.00 N ATOM 794 CA ASP A 57 -2.786 -8.881 6.527 1.00 0.00 C ATOM 795 C ASP A 57 -2.363 -7.621 7.285 1.00 0.00 C ATOM 796 O ASP A 57 -1.252 -7.551 7.807 1.00 0.00 O ATOM 797 CB ASP A 57 -2.082 -10.078 7.167 1.00 0.00 C ATOM 798 CG ASP A 57 -2.921 -10.854 8.184 1.00 0.00 C ATOM 799 OD1 ASP A 57 -3.939 -10.284 8.633 1.00 0.00 O ATOM 800 OD2 ASP A 57 -2.525 -11.999 8.490 1.00 0.00 O ATOM 0 H ASP A 57 -1.424 -8.861 4.935 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.865 -9.028 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.771 -10.762 6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.175 -9.726 7.659 1.00 0.00 H new ATOM 805 N ILE A 58 -3.272 -6.658 7.323 1.00 0.00 N ATOM 806 CA ILE A 58 -3.007 -5.405 8.009 1.00 0.00 C ATOM 807 C ILE A 58 -2.380 -5.698 9.373 1.00 0.00 C ATOM 808 O ILE A 58 -1.409 -5.053 9.766 1.00 0.00 O ATOM 809 CB ILE A 58 -4.278 -4.557 8.086 1.00 0.00 C ATOM 810 CG1 ILE A 58 -3.939 -3.074 8.251 1.00 0.00 C ATOM 811 CG2 ILE A 58 -5.206 -5.059 9.193 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.189 -2.205 8.102 1.00 0.00 C ATOM 0 H ILE A 58 -4.193 -6.720 6.890 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.287 -4.809 7.448 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.815 -4.661 7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.490 -2.907 9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.198 -2.782 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.102 -4.439 9.226 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.488 -6.092 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.691 -5.004 10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.919 -1.156 8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.621 -2.356 7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.918 -2.483 8.863 1.00 0.00 H new ATOM 824 N HIS A 59 -2.961 -6.672 10.059 1.00 0.00 N ATOM 825 CA HIS A 59 -2.472 -7.059 11.371 1.00 0.00 C ATOM 826 C HIS A 59 -0.980 -7.388 11.286 1.00 0.00 C ATOM 827 O HIS A 59 -0.158 -6.731 11.923 1.00 0.00 O ATOM 828 CB HIS A 59 -3.301 -8.210 11.943 1.00 0.00 C ATOM 829 CG HIS A 59 -4.793 -7.996 11.853 1.00 0.00 C ATOM 830 ND1 HIS A 59 -5.557 -7.583 12.931 1.00 0.00 N ATOM 831 CD2 HIS A 59 -5.653 -8.139 10.805 1.00 0.00 C ATOM 832 CE1 HIS A 59 -6.818 -7.488 12.538 1.00 0.00 C ATOM 833 NE2 HIS A 59 -6.876 -7.833 11.220 1.00 0.00 N ATOM 0 H HIS A 59 -3.766 -7.205 9.730 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.586 -6.227 12.065 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.043 -9.128 11.414 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.028 -8.357 12.988 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.385 -8.449 9.806 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.654 -7.190 13.153 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.720 -7.853 10.648 1.00 0.00 H new ATOM 841 N ALA A 60 -0.675 -8.405 10.493 1.00 0.00 N ATOM 842 CA ALA A 60 0.703 -8.829 10.316 1.00 0.00 C ATOM 843 C ALA A 60 1.491 -7.714 9.626 1.00 0.00 C ATOM 844 O ALA A 60 2.720 -7.739 9.605 1.00 0.00 O ATOM 845 CB ALA A 60 0.736 -10.140 9.528 1.00 0.00 C ATOM 0 H ALA A 60 -1.359 -8.948 9.966 1.00 0.00 H new ATOM 0 HA ALA A 60 1.174 -9.016 11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.770 -10.459 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.187 -10.907 10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.274 -9.990 8.552 1.00 0.00 H new ATOM 851 N ALA A 61 0.750 -6.762 9.078 1.00 0.00 N ATOM 852 CA ALA A 61 1.364 -5.640 8.389 1.00 0.00 C ATOM 853 C ALA A 61 1.796 -4.591 9.415 1.00 0.00 C ATOM 854 O ALA A 61 2.895 -4.045 9.326 1.00 0.00 O ATOM 855 CB ALA A 61 0.385 -5.077 7.356 1.00 0.00 C ATOM 0 H ALA A 61 -0.270 -6.745 9.097 1.00 0.00 H new ATOM 0 HA ALA A 61 2.256 -5.962 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.846 -4.235 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.133 -5.853 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.522 -4.741 7.859 1.00 0.00 H new ATOM 861 N ILE A 62 0.909 -4.340 10.367 1.00 0.00 N ATOM 862 CA ILE A 62 1.185 -3.366 11.409 1.00 0.00 C ATOM 863 C ILE A 62 2.578 -3.624 11.986 1.00 0.00 C ATOM 864 O ILE A 62 3.446 -2.754 11.934 1.00 0.00 O ATOM 865 CB ILE A 62 0.072 -3.375 12.459 1.00 0.00 C ATOM 866 CG1 ILE A 62 -1.161 -2.620 11.959 1.00 0.00 C ATOM 867 CG2 ILE A 62 0.576 -2.828 13.796 1.00 0.00 C ATOM 868 CD1 ILE A 62 -2.318 -2.741 12.952 1.00 0.00 C ATOM 0 H ILE A 62 -0.001 -4.794 10.438 1.00 0.00 H new ATOM 0 HA ILE A 62 1.193 -2.357 10.996 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.231 -4.409 12.627 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.913 -1.569 11.811 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.466 -3.015 10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.234 -2.845 14.525 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.400 -3.445 14.154 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.922 -1.803 13.663 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.182 -2.195 12.572 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.580 -3.791 13.080 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.018 -2.323 13.913 1.00 0.00 H new ATOM 880 N GLU A 63 2.748 -4.823 12.524 1.00 0.00 N ATOM 881 CA GLU A 63 4.021 -5.206 13.110 1.00 0.00 C ATOM 882 C GLU A 63 5.164 -4.909 12.138 1.00 0.00 C ATOM 883 O GLU A 63 6.189 -4.354 12.531 1.00 0.00 O ATOM 884 CB GLU A 63 4.015 -6.682 13.516 1.00 0.00 C ATOM 885 CG GLU A 63 3.559 -7.568 12.355 1.00 0.00 C ATOM 886 CD GLU A 63 4.748 -8.279 11.707 1.00 0.00 C ATOM 887 OE1 GLU A 63 5.854 -7.699 11.760 1.00 0.00 O ATOM 888 OE2 GLU A 63 4.525 -9.388 11.174 1.00 0.00 O ATOM 0 H GLU A 63 2.025 -5.542 12.566 1.00 0.00 H new ATOM 0 HA GLU A 63 4.176 -4.615 14.013 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.014 -6.979 13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.353 -6.825 14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.842 -8.306 12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.044 -6.961 11.610 1.00 0.00 H new ATOM 895 N MET A 64 4.950 -5.292 10.888 1.00 0.00 N ATOM 896 CA MET A 64 5.950 -5.073 9.857 1.00 0.00 C ATOM 897 C MET A 64 6.147 -3.579 9.592 1.00 0.00 C ATOM 898 O MET A 64 7.207 -3.162 9.128 1.00 0.00 O ATOM 899 CB MET A 64 5.513 -5.767 8.565 1.00 0.00 C ATOM 900 CG MET A 64 5.702 -7.282 8.666 1.00 0.00 C ATOM 901 SD MET A 64 5.409 -8.041 7.077 1.00 0.00 S ATOM 902 CE MET A 64 6.481 -7.045 6.055 1.00 0.00 C ATOM 0 H MET A 64 4.099 -5.753 10.566 1.00 0.00 H new ATOM 0 HA MET A 64 6.896 -5.490 10.202 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.466 -5.540 8.362 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.091 -5.380 7.726 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.713 -7.509 9.006 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.017 -7.694 9.407 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.758 -7.606 5.163 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.961 -6.133 5.763 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.380 -6.787 6.614 1.00 0.00 H new ATOM 912 N LEU A 65 5.109 -2.815 9.898 1.00 0.00 N ATOM 913 CA LEU A 65 5.155 -1.376 9.699 1.00 0.00 C ATOM 914 C LEU A 65 5.589 -0.699 11.000 1.00 0.00 C ATOM 915 O LEU A 65 5.975 0.469 10.998 1.00 0.00 O ATOM 916 CB LEU A 65 3.817 -0.867 9.158 1.00 0.00 C ATOM 917 CG LEU A 65 3.349 -1.485 7.838 1.00 0.00 C ATOM 918 CD1 LEU A 65 1.840 -1.309 7.655 1.00 0.00 C ATOM 919 CD2 LEU A 65 4.139 -0.919 6.657 1.00 0.00 C ATOM 0 H LEU A 65 4.231 -3.165 10.282 1.00 0.00 H new ATOM 0 HA LEU A 65 5.897 -1.120 8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.051 -1.046 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.888 0.213 9.026 1.00 0.00 H new ATOM 0 HG LEU A 65 3.547 -2.556 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.533 -1.757 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.315 -1.798 8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.596 -0.247 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.787 -1.375 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.996 0.160 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.198 -1.139 6.789 1.00 0.00 H new ATOM 931 N LEU A 66 5.511 -1.461 12.081 1.00 0.00 N ATOM 932 CA LEU A 66 5.892 -0.949 13.387 1.00 0.00 C ATOM 933 C LEU A 66 7.418 -0.904 13.488 1.00 0.00 C ATOM 934 O LEU A 66 7.965 -0.286 14.399 1.00 0.00 O ATOM 935 CB LEU A 66 5.226 -1.765 14.497 1.00 0.00 C ATOM 936 CG LEU A 66 3.742 -1.481 14.740 1.00 0.00 C ATOM 937 CD1 LEU A 66 3.157 -2.458 15.762 1.00 0.00 C ATOM 938 CD2 LEU A 66 3.522 -0.023 15.149 1.00 0.00 C ATOM 0 H LEU A 66 5.190 -2.429 12.080 1.00 0.00 H new ATOM 0 HA LEU A 66 5.534 0.073 13.515 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.339 -2.823 14.261 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.767 -1.586 15.426 1.00 0.00 H new ATOM 0 HG LEU A 66 3.207 -1.636 13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.101 -2.234 15.916 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.261 -3.478 15.392 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.691 -2.359 16.707 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.459 0.152 15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.072 0.184 16.067 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.878 0.635 14.356 1.00 0.00 H new ATOM 950 N GLY A 67 8.061 -1.568 12.538 1.00 0.00 N ATOM 951 CA GLY A 67 9.513 -1.611 12.509 1.00 0.00 C ATOM 952 C GLY A 67 10.036 -2.904 13.138 1.00 0.00 C ATOM 953 O GLY A 67 11.025 -2.887 13.869 1.00 0.00 O ATOM 0 H GLY A 67 7.603 -2.080 11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.862 -1.536 11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.917 -0.752 13.045 1.00 0.00 H new ATOM 957 N ALA A 68 9.348 -3.994 12.831 1.00 0.00 N ATOM 958 CA ALA A 68 9.731 -5.293 13.358 1.00 0.00 C ATOM 959 C ALA A 68 10.506 -6.065 12.287 1.00 0.00 C ATOM 960 O ALA A 68 11.682 -6.373 12.469 1.00 0.00 O ATOM 961 CB ALA A 68 8.482 -6.042 13.826 1.00 0.00 C ATOM 0 H ALA A 68 8.528 -4.004 12.224 1.00 0.00 H new ATOM 0 HA ALA A 68 10.386 -5.179 14.222 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.769 -7.016 14.221 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.983 -5.466 14.606 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.802 -6.178 12.985 1.00 0.00 H new ATOM 967 N SER A 69 9.814 -6.354 11.195 1.00 0.00 N ATOM 968 CA SER A 69 10.422 -7.084 10.095 1.00 0.00 C ATOM 969 C SER A 69 10.259 -6.299 8.793 1.00 0.00 C ATOM 970 O SER A 69 9.486 -5.343 8.732 1.00 0.00 O ATOM 971 CB SER A 69 9.811 -8.479 9.955 1.00 0.00 C ATOM 972 OG SER A 69 10.312 -9.383 10.936 1.00 0.00 O ATOM 0 H SER A 69 8.838 -6.096 11.048 1.00 0.00 H new ATOM 0 HA SER A 69 11.484 -7.203 10.309 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.727 -8.411 10.045 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.024 -8.870 8.960 1.00 0.00 H new ATOM 0 HG SER A 69 9.896 -10.262 10.814 1.00 0.00 H new ATOM 978 N GLY A 70 10.998 -6.731 7.782 1.00 0.00 N ATOM 979 CA GLY A 70 10.945 -6.081 6.483 1.00 0.00 C ATOM 980 C GLY A 70 11.922 -4.905 6.419 1.00 0.00 C ATOM 981 O GLY A 70 12.266 -4.322 7.445 1.00 0.00 O ATOM 0 H GLY A 70 11.637 -7.524 7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.186 -6.802 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.932 -5.728 6.290 1.00 0.00 H new ATOM 985 N PRO A 71 12.352 -4.583 5.169 1.00 0.00 N ATOM 986 CA PRO A 71 13.282 -3.488 4.957 1.00 0.00 C ATOM 987 C PRO A 71 12.580 -2.136 5.100 1.00 0.00 C ATOM 988 O PRO A 71 12.200 -1.522 4.105 1.00 0.00 O ATOM 989 CB PRO A 71 13.850 -3.718 3.566 1.00 0.00 C ATOM 990 CG PRO A 71 12.881 -4.661 2.871 1.00 0.00 C ATOM 991 CD PRO A 71 11.965 -5.252 3.930 1.00 0.00 C ATOM 0 HA PRO A 71 14.079 -3.464 5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.940 -2.779 3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.848 -4.153 3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.300 -4.126 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.423 -5.451 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.917 -5.071 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.093 -6.332 4.006 1.00 0.00 H new ATOM 999 N SER A 72 12.428 -1.713 6.346 1.00 0.00 N ATOM 1000 CA SER A 72 11.778 -0.446 6.633 1.00 0.00 C ATOM 1001 C SER A 72 11.911 -0.114 8.120 1.00 0.00 C ATOM 1002 O SER A 72 11.741 -0.985 8.972 1.00 0.00 O ATOM 1003 CB SER A 72 10.304 -0.479 6.226 1.00 0.00 C ATOM 1004 OG SER A 72 9.592 -1.525 6.883 1.00 0.00 O ATOM 0 H SER A 72 12.744 -2.226 7.169 1.00 0.00 H new ATOM 0 HA SER A 72 12.271 0.331 6.049 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.841 0.479 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.229 -0.611 5.147 1.00 0.00 H new ATOM 0 HG SER A 72 8.654 -1.512 6.598 1.00 0.00 H new ATOM 1010 N SER A 73 12.213 1.148 8.388 1.00 0.00 N ATOM 1011 CA SER A 73 12.371 1.606 9.758 1.00 0.00 C ATOM 1012 C SER A 73 11.049 2.176 10.274 1.00 0.00 C ATOM 1013 O SER A 73 10.546 1.745 11.311 1.00 0.00 O ATOM 1014 CB SER A 73 13.479 2.656 9.863 1.00 0.00 C ATOM 1015 OG SER A 73 14.518 2.248 10.749 1.00 0.00 O ATOM 0 H SER A 73 12.353 1.868 7.679 1.00 0.00 H new ATOM 0 HA SER A 73 12.657 0.753 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.898 2.841 8.874 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.054 3.598 10.211 1.00 0.00 H new ATOM 0 HG SER A 73 15.207 2.944 10.788 1.00 0.00 H new ATOM 1021 N GLY A 74 10.523 3.136 9.528 1.00 0.00 N ATOM 1022 CA GLY A 74 9.269 3.770 9.898 1.00 0.00 C ATOM 1023 C GLY A 74 8.078 2.873 9.550 1.00 0.00 C ATOM 1024 O GLY A 74 7.090 2.837 10.281 1.00 0.00 O ATOM 0 H GLY A 74 10.943 3.490 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.267 3.985 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.173 4.725 9.381 1.00 0.00 H new TER 1028 GLY A 74