USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=19 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+ -123:sc= 0.144 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0312 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 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.047) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.00725 X(o=-0.0073,f=0) USER MOD Single : A 17 THR OG1 : rot -19:sc= 0.276 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.112 K(o=0.11,f=-0.9) USER MOD Single : A 31 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0542 X(o=-0.054,f=-0.42) USER MOD Single : A 47 ASN : amide:sc= -5.66! C(o=-5.7!,f=-7.6!) USER MOD Single : A 49 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 54 THR OG1 : rot -21:sc= 1.25 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -126:sc= -9.29! (180deg=-14.4!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -95:sc= 0.108 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.474 -8.030 7.114 1.00 0.00 N ATOM 2 CA GLY A 1 28.504 -7.751 6.069 1.00 0.00 C ATOM 3 C GLY A 1 27.078 -8.000 6.564 1.00 0.00 C ATOM 4 O GLY A 1 26.876 -8.418 7.703 1.00 0.00 O ATOM 0 H1 GLY A 1 30.054 -7.184 7.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.976 -8.291 7.989 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.088 -8.816 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.604 -6.716 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.707 -8.380 5.202 1.00 0.00 H new ATOM 8 N SER A 2 26.125 -7.731 5.684 1.00 0.00 N ATOM 9 CA SER A 2 24.723 -7.920 6.017 1.00 0.00 C ATOM 10 C SER A 2 24.001 -8.619 4.864 1.00 0.00 C ATOM 11 O SER A 2 23.471 -7.962 3.969 1.00 0.00 O ATOM 12 CB SER A 2 24.048 -6.585 6.335 1.00 0.00 C ATOM 13 OG SER A 2 23.481 -6.571 7.643 1.00 0.00 O ATOM 0 H SER A 2 26.296 -7.384 4.740 1.00 0.00 H new ATOM 0 HA SER A 2 24.664 -8.547 6.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.778 -5.780 6.248 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.268 -6.389 5.600 1.00 0.00 H new ATOM 0 HG SER A 2 23.061 -5.701 7.808 1.00 0.00 H new ATOM 19 N SER A 3 24.001 -9.943 4.923 1.00 0.00 N ATOM 20 CA SER A 3 23.352 -10.738 3.895 1.00 0.00 C ATOM 21 C SER A 3 22.976 -12.112 4.455 1.00 0.00 C ATOM 22 O SER A 3 21.805 -12.489 4.449 1.00 0.00 O ATOM 23 CB SER A 3 24.254 -10.894 2.668 1.00 0.00 C ATOM 24 OG SER A 3 25.547 -11.381 3.015 1.00 0.00 O ATOM 0 H SER A 3 24.440 -10.485 5.667 1.00 0.00 H new ATOM 0 HA SER A 3 22.446 -10.219 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.787 -11.578 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.352 -9.932 2.165 1.00 0.00 H new ATOM 0 HG SER A 3 26.092 -11.468 2.205 1.00 0.00 H new ATOM 30 N GLY A 4 23.991 -12.822 4.926 1.00 0.00 N ATOM 31 CA GLY A 4 23.782 -14.145 5.489 1.00 0.00 C ATOM 32 C GLY A 4 23.462 -15.163 4.392 1.00 0.00 C ATOM 33 O GLY A 4 22.989 -14.795 3.317 1.00 0.00 O ATOM 0 H GLY A 4 24.961 -12.506 4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.674 -14.458 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.965 -14.113 6.210 1.00 0.00 H new ATOM 37 N SER A 5 23.734 -16.422 4.700 1.00 0.00 N ATOM 38 CA SER A 5 23.482 -17.496 3.754 1.00 0.00 C ATOM 39 C SER A 5 22.011 -17.911 3.815 1.00 0.00 C ATOM 40 O SER A 5 21.438 -18.025 4.897 1.00 0.00 O ATOM 41 CB SER A 5 24.385 -18.699 4.033 1.00 0.00 C ATOM 42 OG SER A 5 24.114 -19.288 5.302 1.00 0.00 O ATOM 0 H SER A 5 24.127 -16.723 5.592 1.00 0.00 H new ATOM 0 HA SER A 5 23.709 -17.131 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.247 -19.445 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.428 -18.386 3.994 1.00 0.00 H new ATOM 0 HG SER A 5 24.710 -20.053 5.441 1.00 0.00 H new ATOM 48 N SER A 6 21.442 -18.127 2.638 1.00 0.00 N ATOM 49 CA SER A 6 20.048 -18.528 2.543 1.00 0.00 C ATOM 50 C SER A 6 19.143 -17.392 3.025 1.00 0.00 C ATOM 51 O SER A 6 19.127 -17.067 4.211 1.00 0.00 O ATOM 52 CB SER A 6 19.784 -19.798 3.354 1.00 0.00 C ATOM 53 OG SER A 6 18.639 -20.504 2.883 1.00 0.00 O ATOM 0 H SER A 6 21.921 -18.032 1.742 1.00 0.00 H new ATOM 0 HA SER A 6 19.824 -18.744 1.498 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.657 -20.448 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.642 -19.536 4.402 1.00 0.00 H new ATOM 0 HG SER A 6 18.505 -21.309 3.425 1.00 0.00 H new ATOM 59 N GLY A 7 18.411 -16.820 2.080 1.00 0.00 N ATOM 60 CA GLY A 7 17.506 -15.728 2.393 1.00 0.00 C ATOM 61 C GLY A 7 17.059 -15.004 1.121 1.00 0.00 C ATOM 62 O GLY A 7 16.811 -15.638 0.097 1.00 0.00 O ATOM 0 H GLY A 7 18.427 -17.093 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.634 -16.114 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.999 -15.023 3.063 1.00 0.00 H new ATOM 66 N ALA A 8 16.969 -13.687 1.229 1.00 0.00 N ATOM 67 CA ALA A 8 16.556 -12.870 0.100 1.00 0.00 C ATOM 68 C ALA A 8 15.120 -13.231 -0.287 1.00 0.00 C ATOM 69 O ALA A 8 14.886 -14.248 -0.937 1.00 0.00 O ATOM 70 CB ALA A 8 17.538 -13.065 -1.057 1.00 0.00 C ATOM 0 H ALA A 8 17.175 -13.165 2.081 1.00 0.00 H new ATOM 0 HA ALA A 8 16.570 -11.813 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.229 -12.453 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 8 18.538 -12.768 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 8 17.548 -14.114 -1.353 1.00 0.00 H new ATOM 76 N ARG A 9 14.197 -12.378 0.131 1.00 0.00 N ATOM 77 CA ARG A 9 12.790 -12.594 -0.164 1.00 0.00 C ATOM 78 C ARG A 9 12.344 -11.689 -1.314 1.00 0.00 C ATOM 79 O ARG A 9 12.795 -10.550 -1.424 1.00 0.00 O ATOM 80 CB ARG A 9 11.921 -12.313 1.064 1.00 0.00 C ATOM 81 CG ARG A 9 10.553 -12.985 0.932 1.00 0.00 C ATOM 82 CD ARG A 9 10.482 -14.254 1.785 1.00 0.00 C ATOM 83 NE ARG A 9 9.457 -14.096 2.841 1.00 0.00 N ATOM 84 CZ ARG A 9 9.240 -14.989 3.817 1.00 0.00 C ATOM 85 NH1 ARG A 9 9.975 -16.108 3.876 1.00 0.00 N ATOM 86 NH2 ARG A 9 8.288 -14.763 4.732 1.00 0.00 N ATOM 0 H ARG A 9 14.395 -11.536 0.671 1.00 0.00 H new ATOM 0 HA ARG A 9 12.667 -13.638 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.424 -12.676 1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.792 -11.237 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.771 -12.291 1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.365 -13.233 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.240 -15.111 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.454 -14.454 2.237 1.00 0.00 H new ATOM 0 HE ARG A 9 8.880 -13.255 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.699 -16.280 3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.810 -16.788 4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.728 -13.912 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.123 -15.442 5.475 1.00 0.00 H new ATOM 100 N ALA A 10 11.462 -12.230 -2.142 1.00 0.00 N ATOM 101 CA ALA A 10 10.950 -11.486 -3.280 1.00 0.00 C ATOM 102 C ALA A 10 12.096 -11.193 -4.250 1.00 0.00 C ATOM 103 O ALA A 10 12.888 -10.280 -4.022 1.00 0.00 O ATOM 104 CB ALA A 10 10.261 -10.212 -2.788 1.00 0.00 C ATOM 0 H ALA A 10 11.089 -13.175 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 10 10.205 -12.072 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.877 -9.653 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.436 -10.477 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.979 -9.597 -2.245 1.00 0.00 H new ATOM 110 N CYS A 11 12.147 -11.984 -5.312 1.00 0.00 N ATOM 111 CA CYS A 11 13.183 -11.820 -6.317 1.00 0.00 C ATOM 112 C CYS A 11 13.013 -12.921 -7.366 1.00 0.00 C ATOM 113 O CYS A 11 13.113 -14.106 -7.049 1.00 0.00 O ATOM 114 CB CYS A 11 14.582 -11.834 -5.696 1.00 0.00 C ATOM 115 SG CYS A 11 15.607 -10.509 -6.433 1.00 0.00 S ATOM 0 H CYS A 11 11.488 -12.740 -5.498 1.00 0.00 H new ATOM 0 HA CYS A 11 13.079 -10.845 -6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 11 14.512 -11.693 -4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 11 15.052 -12.803 -5.861 1.00 0.00 H new ATOM 0 HG CYS A 11 16.791 -10.528 -5.898 1.00 0.00 H new ATOM 121 N SER A 12 12.759 -12.492 -8.593 1.00 0.00 N ATOM 122 CA SER A 12 12.575 -13.427 -9.690 1.00 0.00 C ATOM 123 C SER A 12 12.395 -12.663 -11.004 1.00 0.00 C ATOM 124 O SER A 12 11.699 -11.649 -11.046 1.00 0.00 O ATOM 125 CB SER A 12 11.374 -14.340 -9.438 1.00 0.00 C ATOM 126 OG SER A 12 11.422 -15.518 -10.239 1.00 0.00 O ATOM 0 H SER A 12 12.676 -11.509 -8.852 1.00 0.00 H new ATOM 0 HA SER A 12 13.465 -14.053 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.345 -14.619 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.454 -13.795 -9.649 1.00 0.00 H new ATOM 0 HG SER A 12 10.639 -16.076 -10.048 1.00 0.00 H new ATOM 132 N GLN A 13 13.033 -13.179 -12.043 1.00 0.00 N ATOM 133 CA GLN A 13 12.953 -12.559 -13.355 1.00 0.00 C ATOM 134 C GLN A 13 13.789 -13.345 -14.366 1.00 0.00 C ATOM 135 O GLN A 13 14.725 -14.049 -13.990 1.00 0.00 O ATOM 136 CB GLN A 13 13.396 -11.096 -13.297 1.00 0.00 C ATOM 137 CG GLN A 13 12.501 -10.217 -14.174 1.00 0.00 C ATOM 138 CD GLN A 13 11.948 -9.033 -13.379 1.00 0.00 C ATOM 139 OE1 GLN A 13 12.667 -8.312 -12.707 1.00 0.00 O ATOM 140 NE2 GLN A 13 10.632 -8.873 -13.492 1.00 0.00 N ATOM 0 H GLN A 13 13.608 -14.020 -12.004 1.00 0.00 H new ATOM 0 HA GLN A 13 11.913 -12.577 -13.681 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.362 -10.742 -12.267 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.431 -11.012 -13.628 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.070 -9.852 -15.029 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.677 -10.811 -14.569 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.088 -9.513 -14.071 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.167 -8.111 -12.999 1.00 0.00 H new ATOM 149 N SER A 14 13.420 -13.200 -15.631 1.00 0.00 N ATOM 150 CA SER A 14 14.124 -13.889 -16.699 1.00 0.00 C ATOM 151 C SER A 14 13.564 -13.458 -18.057 1.00 0.00 C ATOM 152 O SER A 14 14.289 -12.908 -18.885 1.00 0.00 O ATOM 153 CB SER A 14 14.019 -15.407 -16.540 1.00 0.00 C ATOM 154 OG SER A 14 15.291 -16.009 -16.314 1.00 0.00 O ATOM 0 H SER A 14 12.643 -12.616 -15.940 1.00 0.00 H new ATOM 0 HA SER A 14 15.178 -13.618 -16.644 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.355 -15.639 -15.708 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.569 -15.835 -17.436 1.00 0.00 H new ATOM 0 HG SER A 14 15.182 -16.978 -16.216 1.00 0.00 H new ATOM 160 N SER A 15 12.280 -13.724 -18.243 1.00 0.00 N ATOM 161 CA SER A 15 11.615 -13.370 -19.486 1.00 0.00 C ATOM 162 C SER A 15 10.147 -13.035 -19.217 1.00 0.00 C ATOM 163 O SER A 15 9.677 -13.152 -18.086 1.00 0.00 O ATOM 164 CB SER A 15 11.722 -14.503 -20.509 1.00 0.00 C ATOM 165 OG SER A 15 10.955 -15.642 -20.127 1.00 0.00 O ATOM 0 H SER A 15 11.682 -14.180 -17.554 1.00 0.00 H new ATOM 0 HA SER A 15 12.111 -12.493 -19.902 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.382 -14.147 -21.481 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.767 -14.791 -20.623 1.00 0.00 H new ATOM 0 HG SER A 15 11.048 -16.342 -20.806 1.00 0.00 H new ATOM 171 N GLN A 16 9.463 -12.625 -20.275 1.00 0.00 N ATOM 172 CA GLN A 16 8.058 -12.272 -20.167 1.00 0.00 C ATOM 173 C GLN A 16 7.321 -13.287 -19.291 1.00 0.00 C ATOM 174 O GLN A 16 7.361 -14.487 -19.558 1.00 0.00 O ATOM 175 CB GLN A 16 7.411 -12.169 -21.550 1.00 0.00 C ATOM 176 CG GLN A 16 7.489 -13.504 -22.293 1.00 0.00 C ATOM 177 CD GLN A 16 7.216 -13.318 -23.786 1.00 0.00 C ATOM 178 OE1 GLN A 16 8.010 -12.756 -24.523 1.00 0.00 O ATOM 179 NE2 GLN A 16 6.052 -13.819 -24.190 1.00 0.00 N ATOM 0 H GLN A 16 9.856 -12.529 -21.211 1.00 0.00 H new ATOM 0 HA GLN A 16 7.985 -11.293 -19.694 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.369 -11.867 -21.446 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.911 -11.395 -22.132 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.476 -13.945 -22.152 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.765 -14.201 -21.872 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.434 -14.277 -23.520 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.777 -13.745 -25.170 1.00 0.00 H new ATOM 188 N THR A 17 6.666 -12.768 -18.263 1.00 0.00 N ATOM 189 CA THR A 17 5.921 -13.614 -17.346 1.00 0.00 C ATOM 190 C THR A 17 4.860 -12.796 -16.608 1.00 0.00 C ATOM 191 O THR A 17 4.704 -12.924 -15.395 1.00 0.00 O ATOM 192 CB THR A 17 6.923 -14.293 -16.410 1.00 0.00 C ATOM 193 OG1 THR A 17 7.680 -15.142 -17.269 1.00 0.00 O ATOM 194 CG2 THR A 17 6.250 -15.258 -15.432 1.00 0.00 C ATOM 0 H THR A 17 6.636 -11.772 -18.045 1.00 0.00 H new ATOM 0 HA THR A 17 5.374 -14.391 -17.880 1.00 0.00 H new ATOM 0 HB THR A 17 7.470 -13.533 -15.852 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.181 -15.298 -18.098 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.006 -15.712 -14.791 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.534 -14.713 -14.818 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.731 -16.037 -15.989 1.00 0.00 H new ATOM 202 N ALA A 18 4.156 -11.973 -17.372 1.00 0.00 N ATOM 203 CA ALA A 18 3.114 -11.134 -16.806 1.00 0.00 C ATOM 204 C ALA A 18 3.749 -10.089 -15.886 1.00 0.00 C ATOM 205 O ALA A 18 4.970 -9.944 -15.855 1.00 0.00 O ATOM 206 CB ALA A 18 2.093 -12.010 -16.077 1.00 0.00 C ATOM 0 H ALA A 18 4.287 -11.870 -18.378 1.00 0.00 H new ATOM 0 HA ALA A 18 2.582 -10.600 -17.593 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.311 -11.381 -15.652 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.650 -12.714 -16.781 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.590 -12.560 -15.278 1.00 0.00 H new ATOM 212 N LEU A 19 2.891 -9.388 -15.159 1.00 0.00 N ATOM 213 CA LEU A 19 3.353 -8.361 -14.241 1.00 0.00 C ATOM 214 C LEU A 19 2.694 -8.570 -12.876 1.00 0.00 C ATOM 215 O LEU A 19 1.665 -9.236 -12.774 1.00 0.00 O ATOM 216 CB LEU A 19 3.117 -6.969 -14.831 1.00 0.00 C ATOM 217 CG LEU A 19 2.044 -6.874 -15.917 1.00 0.00 C ATOM 218 CD1 LEU A 19 0.702 -7.407 -15.411 1.00 0.00 C ATOM 219 CD2 LEU A 19 1.929 -5.445 -16.451 1.00 0.00 C ATOM 0 H LEU A 19 1.879 -9.511 -15.187 1.00 0.00 H new ATOM 0 HA LEU A 19 4.430 -8.440 -14.092 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.845 -6.294 -14.020 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.058 -6.607 -15.245 1.00 0.00 H new ATOM 0 HG LEU A 19 2.347 -7.506 -16.752 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.043 -7.328 -16.203 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.812 -8.452 -15.119 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.380 -6.822 -14.550 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.159 -5.405 -17.222 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.661 -4.772 -15.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.884 -5.138 -16.876 1.00 0.00 H new ATOM 231 N PRO A 20 3.332 -7.974 -11.833 1.00 0.00 N ATOM 232 CA PRO A 20 2.819 -8.088 -10.478 1.00 0.00 C ATOM 233 C PRO A 20 1.589 -7.199 -10.280 1.00 0.00 C ATOM 234 O PRO A 20 1.030 -7.141 -9.186 1.00 0.00 O ATOM 235 CB PRO A 20 3.983 -7.699 -9.582 1.00 0.00 C ATOM 236 CG PRO A 20 4.955 -6.937 -10.469 1.00 0.00 C ATOM 237 CD PRO A 20 4.553 -7.177 -11.915 1.00 0.00 C ATOM 0 HA PRO A 20 2.472 -9.094 -10.243 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.646 -7.080 -8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.456 -8.581 -9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.929 -5.872 -10.237 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.976 -7.276 -10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.378 -6.237 -12.439 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.335 -7.705 -12.461 1.00 0.00 H new ATOM 245 N THR A 21 1.205 -6.528 -11.356 1.00 0.00 N ATOM 246 CA THR A 21 0.052 -5.645 -11.315 1.00 0.00 C ATOM 247 C THR A 21 0.077 -4.793 -10.044 1.00 0.00 C ATOM 248 O THR A 21 -0.423 -5.213 -9.002 1.00 0.00 O ATOM 249 CB THR A 21 -1.207 -6.504 -11.446 1.00 0.00 C ATOM 250 OG1 THR A 21 -0.878 -7.450 -12.459 1.00 0.00 O ATOM 251 CG2 THR A 21 -2.389 -5.727 -12.031 1.00 0.00 C ATOM 0 H THR A 21 1.672 -6.578 -12.261 1.00 0.00 H new ATOM 0 HA THR A 21 0.067 -4.937 -12.143 1.00 0.00 H new ATOM 0 HB THR A 21 -1.481 -6.898 -10.467 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.639 -8.049 -12.607 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.256 -6.383 -12.102 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.625 -4.882 -11.384 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.128 -5.361 -13.024 1.00 0.00 H new ATOM 259 N SER A 22 0.665 -3.613 -10.172 1.00 0.00 N ATOM 260 CA SER A 22 0.763 -2.699 -9.047 1.00 0.00 C ATOM 261 C SER A 22 -0.597 -2.050 -8.781 1.00 0.00 C ATOM 262 O SER A 22 -0.849 -1.557 -7.683 1.00 0.00 O ATOM 263 CB SER A 22 1.823 -1.626 -9.299 1.00 0.00 C ATOM 264 OG SER A 22 2.639 -1.401 -8.153 1.00 0.00 O ATOM 0 H SER A 22 1.079 -3.269 -11.038 1.00 0.00 H new ATOM 0 HA SER A 22 1.065 -3.269 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.451 -1.927 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.335 -0.694 -9.585 1.00 0.00 H new ATOM 0 HG SER A 22 3.304 -0.710 -8.356 1.00 0.00 H new ATOM 270 N LEU A 23 -1.437 -2.070 -9.805 1.00 0.00 N ATOM 271 CA LEU A 23 -2.765 -1.490 -9.696 1.00 0.00 C ATOM 272 C LEU A 23 -3.752 -2.567 -9.241 1.00 0.00 C ATOM 273 O LEU A 23 -4.961 -2.416 -9.409 1.00 0.00 O ATOM 274 CB LEU A 23 -3.160 -0.806 -11.006 1.00 0.00 C ATOM 275 CG LEU A 23 -2.206 0.277 -11.512 1.00 0.00 C ATOM 276 CD1 LEU A 23 -1.590 -0.118 -12.855 1.00 0.00 C ATOM 277 CD2 LEU A 23 -2.906 1.636 -11.581 1.00 0.00 C ATOM 0 H LEU A 23 -1.224 -2.479 -10.715 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.778 -0.706 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.253 -1.570 -11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.147 -0.362 -10.877 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.388 0.371 -10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.916 0.670 -13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.033 -1.048 -12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.381 -0.258 -13.591 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.205 2.388 -11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.756 1.574 -12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.256 1.916 -10.587 1.00 0.00 H new ATOM 289 N PHE A 24 -3.200 -3.630 -8.675 1.00 0.00 N ATOM 290 CA PHE A 24 -4.016 -4.731 -8.195 1.00 0.00 C ATOM 291 C PHE A 24 -3.875 -4.900 -6.681 1.00 0.00 C ATOM 292 O PHE A 24 -4.447 -5.821 -6.100 1.00 0.00 O ATOM 293 CB PHE A 24 -3.509 -5.998 -8.887 1.00 0.00 C ATOM 294 CG PHE A 24 -4.617 -6.859 -9.500 1.00 0.00 C ATOM 295 CD1 PHE A 24 -5.398 -6.355 -10.493 1.00 0.00 C ATOM 296 CD2 PHE A 24 -4.820 -8.126 -9.051 1.00 0.00 C ATOM 297 CE1 PHE A 24 -6.425 -7.154 -11.061 1.00 0.00 C ATOM 298 CE2 PHE A 24 -5.848 -8.924 -9.619 1.00 0.00 C ATOM 299 CZ PHE A 24 -6.629 -8.421 -10.612 1.00 0.00 C ATOM 0 H PHE A 24 -2.197 -3.752 -8.538 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.066 -4.539 -8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.807 -5.715 -9.671 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.955 -6.597 -8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.237 -5.348 -10.849 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.200 -8.526 -8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.045 -6.755 -11.850 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.010 -9.931 -9.262 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.411 -9.028 -11.044 1.00 0.00 H new ATOM 309 N THR A 25 -3.110 -3.997 -6.086 1.00 0.00 N ATOM 310 CA THR A 25 -2.886 -4.034 -4.651 1.00 0.00 C ATOM 311 C THR A 25 -3.516 -2.811 -3.981 1.00 0.00 C ATOM 312 O THR A 25 -3.794 -2.830 -2.783 1.00 0.00 O ATOM 313 CB THR A 25 -1.380 -4.150 -4.410 1.00 0.00 C ATOM 314 OG1 THR A 25 -0.801 -3.361 -5.446 1.00 0.00 O ATOM 315 CG2 THR A 25 -0.851 -5.561 -4.677 1.00 0.00 C ATOM 0 H THR A 25 -2.637 -3.235 -6.572 1.00 0.00 H new ATOM 0 HA THR A 25 -3.370 -4.899 -4.198 1.00 0.00 H new ATOM 0 HB THR A 25 -1.154 -3.866 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.175 -3.379 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.223 -5.588 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.352 -6.268 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.047 -5.833 -5.714 1.00 0.00 H new ATOM 323 N GLU A 26 -3.723 -1.778 -4.784 1.00 0.00 N ATOM 324 CA GLU A 26 -4.315 -0.549 -4.284 1.00 0.00 C ATOM 325 C GLU A 26 -5.839 -0.605 -4.407 1.00 0.00 C ATOM 326 O GLU A 26 -6.515 0.412 -4.258 1.00 0.00 O ATOM 327 CB GLU A 26 -3.750 0.670 -5.016 1.00 0.00 C ATOM 328 CG GLU A 26 -2.232 0.755 -4.849 1.00 0.00 C ATOM 329 CD GLU A 26 -1.736 2.186 -5.064 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.177 2.795 -6.063 1.00 0.00 O ATOM 331 OE2 GLU A 26 -0.926 2.639 -4.226 1.00 0.00 O ATOM 0 H GLU A 26 -3.491 -1.767 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.059 -0.449 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.000 0.611 -6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.213 1.578 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.953 0.416 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.746 0.087 -5.561 1.00 0.00 H new ATOM 338 N GLY A 27 -6.335 -1.803 -4.679 1.00 0.00 N ATOM 339 CA GLY A 27 -7.767 -2.005 -4.824 1.00 0.00 C ATOM 340 C GLY A 27 -8.284 -3.017 -3.800 1.00 0.00 C ATOM 341 O GLY A 27 -9.397 -2.879 -3.294 1.00 0.00 O ATOM 0 H GLY A 27 -5.771 -2.644 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.287 -1.055 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.988 -2.357 -5.832 1.00 0.00 H new ATOM 345 N ARG A 28 -7.453 -4.011 -3.525 1.00 0.00 N ATOM 346 CA ARG A 28 -7.813 -5.045 -2.570 1.00 0.00 C ATOM 347 C ARG A 28 -7.819 -4.477 -1.150 1.00 0.00 C ATOM 348 O ARG A 28 -8.881 -4.271 -0.564 1.00 0.00 O ATOM 349 CB ARG A 28 -6.836 -6.221 -2.638 1.00 0.00 C ATOM 350 CG ARG A 28 -7.583 -7.545 -2.810 1.00 0.00 C ATOM 351 CD ARG A 28 -6.694 -8.730 -2.429 1.00 0.00 C ATOM 352 NE ARG A 28 -7.472 -9.717 -1.647 1.00 0.00 N ATOM 353 CZ ARG A 28 -8.321 -10.601 -2.186 1.00 0.00 C ATOM 354 NH1 ARG A 28 -8.508 -10.628 -3.513 1.00 0.00 N ATOM 355 NH2 ARG A 28 -8.985 -11.459 -1.399 1.00 0.00 N ATOM 0 H ARG A 28 -6.531 -4.122 -3.947 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.811 -5.401 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.146 -6.078 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.236 -6.253 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.479 -7.544 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.911 -7.650 -3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.295 -9.200 -3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.841 -8.383 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.354 -9.724 -0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.003 -9.975 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.155 -11.302 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.844 -11.439 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.632 -12.132 -1.810 1.00 0.00 H new ATOM 369 N TYR A 29 -6.620 -4.241 -0.636 1.00 0.00 N ATOM 370 CA TYR A 29 -6.474 -3.701 0.705 1.00 0.00 C ATOM 371 C TYR A 29 -6.501 -2.171 0.686 1.00 0.00 C ATOM 372 O TYR A 29 -5.739 -1.525 1.404 1.00 0.00 O ATOM 373 CB TYR A 29 -5.105 -4.169 1.201 1.00 0.00 C ATOM 374 CG TYR A 29 -4.670 -5.524 0.640 1.00 0.00 C ATOM 375 CD1 TYR A 29 -5.453 -6.641 0.849 1.00 0.00 C ATOM 376 CD2 TYR A 29 -3.494 -5.630 -0.074 1.00 0.00 C ATOM 377 CE1 TYR A 29 -5.044 -7.917 0.321 1.00 0.00 C ATOM 378 CE2 TYR A 29 -3.084 -6.906 -0.602 1.00 0.00 C ATOM 379 CZ TYR A 29 -3.879 -7.986 -0.379 1.00 0.00 C ATOM 380 OH TYR A 29 -3.493 -9.191 -0.877 1.00 0.00 O ATOM 0 H TYR A 29 -5.741 -4.414 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.289 -4.039 1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.358 -3.421 0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.125 -4.227 2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.373 -6.558 1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.881 -4.756 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.648 -8.799 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.166 -7.002 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.643 -9.090 -1.355 1.00 0.00 H new ATOM 390 N GLN A 30 -7.386 -1.637 -0.142 1.00 0.00 N ATOM 391 CA GLN A 30 -7.522 -0.196 -0.264 1.00 0.00 C ATOM 392 C GLN A 30 -7.862 0.422 1.094 1.00 0.00 C ATOM 393 O GLN A 30 -7.235 1.393 1.513 1.00 0.00 O ATOM 394 CB GLN A 30 -8.576 0.169 -1.311 1.00 0.00 C ATOM 395 CG GLN A 30 -8.195 1.455 -2.047 1.00 0.00 C ATOM 396 CD GLN A 30 -9.134 1.709 -3.229 1.00 0.00 C ATOM 397 OE1 GLN A 30 -10.347 1.720 -3.100 1.00 0.00 O ATOM 398 NE2 GLN A 30 -8.507 1.913 -4.384 1.00 0.00 N ATOM 0 H GLN A 30 -8.016 -2.177 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.568 0.212 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.681 -0.646 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.545 0.296 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.236 2.298 -1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.167 1.384 -2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.488 1.890 -4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.045 2.092 -5.232 1.00 0.00 H new ATOM 407 N GLN A 31 -8.855 -0.167 1.744 1.00 0.00 N ATOM 408 CA GLN A 31 -9.286 0.313 3.046 1.00 0.00 C ATOM 409 C GLN A 31 -8.165 0.144 4.072 1.00 0.00 C ATOM 410 O GLN A 31 -7.985 0.990 4.947 1.00 0.00 O ATOM 411 CB GLN A 31 -10.559 -0.404 3.501 1.00 0.00 C ATOM 412 CG GLN A 31 -11.799 0.213 2.850 1.00 0.00 C ATOM 413 CD GLN A 31 -12.608 1.020 3.867 1.00 0.00 C ATOM 414 OE1 GLN A 31 -12.174 1.283 4.976 1.00 0.00 O ATOM 415 NE2 GLN A 31 -13.806 1.397 3.428 1.00 0.00 N ATOM 0 H GLN A 31 -9.373 -0.972 1.393 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.517 1.375 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.497 -1.461 3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.646 -0.345 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.498 0.859 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.422 -0.575 2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.108 1.143 2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.423 1.940 4.032 1.00 0.00 H new ATOM 424 N GLU A 32 -7.439 -0.956 3.932 1.00 0.00 N ATOM 425 CA GLU A 32 -6.339 -1.248 4.836 1.00 0.00 C ATOM 426 C GLU A 32 -5.395 -0.047 4.928 1.00 0.00 C ATOM 427 O GLU A 32 -5.176 0.494 6.010 1.00 0.00 O ATOM 428 CB GLU A 32 -5.587 -2.505 4.397 1.00 0.00 C ATOM 429 CG GLU A 32 -6.186 -3.756 5.043 1.00 0.00 C ATOM 430 CD GLU A 32 -7.651 -3.935 4.637 1.00 0.00 C ATOM 431 OE1 GLU A 32 -7.908 -3.912 3.414 1.00 0.00 O ATOM 432 OE2 GLU A 32 -8.481 -4.090 5.560 1.00 0.00 O ATOM 0 H GLU A 32 -7.591 -1.656 3.206 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.750 -1.439 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.628 -2.597 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.535 -2.418 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.612 -4.634 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.112 -3.680 6.128 1.00 0.00 H new ATOM 439 N LEU A 33 -4.860 0.333 3.776 1.00 0.00 N ATOM 440 CA LEU A 33 -3.944 1.459 3.713 1.00 0.00 C ATOM 441 C LEU A 33 -4.536 2.637 4.490 1.00 0.00 C ATOM 442 O LEU A 33 -3.817 3.344 5.195 1.00 0.00 O ATOM 443 CB LEU A 33 -3.603 1.791 2.259 1.00 0.00 C ATOM 444 CG LEU A 33 -3.087 0.628 1.409 1.00 0.00 C ATOM 445 CD1 LEU A 33 -3.661 0.688 -0.009 1.00 0.00 C ATOM 446 CD2 LEU A 33 -1.558 0.587 1.407 1.00 0.00 C ATOM 0 H LEU A 33 -5.043 -0.119 2.880 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.997 1.206 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.495 2.197 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.851 2.580 2.254 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.434 -0.303 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.278 -0.150 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.749 0.632 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.365 1.624 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.217 -0.249 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.170 1.519 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.196 0.461 2.427 1.00 0.00 H new ATOM 458 N GLU A 34 -5.840 2.812 4.334 1.00 0.00 N ATOM 459 CA GLU A 34 -6.536 3.892 5.012 1.00 0.00 C ATOM 460 C GLU A 34 -6.570 3.638 6.521 1.00 0.00 C ATOM 461 O GLU A 34 -6.431 4.567 7.314 1.00 0.00 O ATOM 462 CB GLU A 34 -7.950 4.068 4.455 1.00 0.00 C ATOM 463 CG GLU A 34 -7.925 4.827 3.126 1.00 0.00 C ATOM 464 CD GLU A 34 -9.102 5.800 3.028 1.00 0.00 C ATOM 465 OE1 GLU A 34 -10.242 5.333 3.239 1.00 0.00 O ATOM 466 OE2 GLU A 34 -8.835 6.987 2.743 1.00 0.00 O ATOM 0 H GLU A 34 -6.433 2.224 3.748 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.991 4.818 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.412 3.091 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.564 4.609 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.987 5.375 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.964 4.119 2.298 1.00 0.00 H new ATOM 473 N GLU A 35 -6.755 2.373 6.871 1.00 0.00 N ATOM 474 CA GLU A 35 -6.809 1.985 8.270 1.00 0.00 C ATOM 475 C GLU A 35 -5.502 2.355 8.974 1.00 0.00 C ATOM 476 O GLU A 35 -5.506 3.117 9.940 1.00 0.00 O ATOM 477 CB GLU A 35 -7.105 0.491 8.414 1.00 0.00 C ATOM 478 CG GLU A 35 -8.463 0.262 9.080 1.00 0.00 C ATOM 479 CD GLU A 35 -8.594 1.096 10.356 1.00 0.00 C ATOM 480 OE1 GLU A 35 -7.574 1.708 10.742 1.00 0.00 O ATOM 481 OE2 GLU A 35 -9.711 1.104 10.917 1.00 0.00 O ATOM 0 H GLU A 35 -6.869 1.604 6.210 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.623 2.531 8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.093 0.018 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.322 0.017 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.262 0.524 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.582 -0.795 9.318 1.00 0.00 H new ATOM 488 N LEU A 36 -4.413 1.798 8.463 1.00 0.00 N ATOM 489 CA LEU A 36 -3.102 2.060 9.031 1.00 0.00 C ATOM 490 C LEU A 36 -2.914 3.570 9.195 1.00 0.00 C ATOM 491 O LEU A 36 -2.321 4.022 10.173 1.00 0.00 O ATOM 492 CB LEU A 36 -2.011 1.392 8.190 1.00 0.00 C ATOM 493 CG LEU A 36 -2.240 -0.080 7.843 1.00 0.00 C ATOM 494 CD1 LEU A 36 -2.014 -0.333 6.351 1.00 0.00 C ATOM 495 CD2 LEU A 36 -1.373 -0.990 8.716 1.00 0.00 C ATOM 0 H LEU A 36 -4.412 1.167 7.662 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.022 1.619 10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.903 1.951 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.065 1.476 8.725 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.281 -0.324 8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.183 -1.387 6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.707 0.275 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.990 -0.067 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.555 -2.031 8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.321 -0.753 8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.625 -0.835 9.765 1.00 0.00 H new ATOM 507 N LYS A 37 -3.430 4.307 8.222 1.00 0.00 N ATOM 508 CA LYS A 37 -3.327 5.756 8.247 1.00 0.00 C ATOM 509 C LYS A 37 -4.001 6.290 9.512 1.00 0.00 C ATOM 510 O LYS A 37 -3.817 7.451 9.875 1.00 0.00 O ATOM 511 CB LYS A 37 -3.884 6.355 6.954 1.00 0.00 C ATOM 512 CG LYS A 37 -3.785 7.881 6.969 1.00 0.00 C ATOM 513 CD LYS A 37 -3.836 8.449 5.549 1.00 0.00 C ATOM 514 CE LYS A 37 -2.475 8.326 4.861 1.00 0.00 C ATOM 515 NZ LYS A 37 -2.320 9.375 3.828 1.00 0.00 N ATOM 0 H LYS A 37 -3.920 3.928 7.412 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.282 6.062 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.334 5.960 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.925 6.056 6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.602 8.296 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.856 8.184 7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.591 7.919 4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.137 9.496 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.678 8.414 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.379 7.341 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.391 9.277 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.070 9.273 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.390 10.313 4.272 1.00 0.00 H new ATOM 529 N ALA A 38 -4.768 5.417 10.149 1.00 0.00 N ATOM 530 CA ALA A 38 -5.471 5.786 11.366 1.00 0.00 C ATOM 531 C ALA A 38 -4.906 4.983 12.539 1.00 0.00 C ATOM 532 O ALA A 38 -4.755 5.510 13.641 1.00 0.00 O ATOM 533 CB ALA A 38 -6.972 5.564 11.176 1.00 0.00 C ATOM 0 H ALA A 38 -4.918 4.455 9.845 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.324 6.843 11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.499 5.841 12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.329 6.179 10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.159 4.514 10.953 1.00 0.00 H new ATOM 539 N LEU A 39 -4.609 3.722 12.263 1.00 0.00 N ATOM 540 CA LEU A 39 -4.064 2.841 13.282 1.00 0.00 C ATOM 541 C LEU A 39 -2.806 3.475 13.879 1.00 0.00 C ATOM 542 O LEU A 39 -2.606 3.443 15.092 1.00 0.00 O ATOM 543 CB LEU A 39 -3.836 1.440 12.713 1.00 0.00 C ATOM 544 CG LEU A 39 -5.042 0.786 12.034 1.00 0.00 C ATOM 545 CD1 LEU A 39 -4.618 -0.443 11.228 1.00 0.00 C ATOM 546 CD2 LEU A 39 -6.131 0.454 13.056 1.00 0.00 C ATOM 0 H LEU A 39 -4.735 3.289 11.348 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.776 2.716 14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.021 1.491 11.991 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.504 0.790 13.523 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.468 1.501 11.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.494 -0.888 10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.904 -0.146 10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.154 -1.172 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.977 -0.010 12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.733 -0.235 13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.460 1.370 13.547 1.00 0.00 H new ATOM 558 N GLY A 40 -1.991 4.036 12.999 1.00 0.00 N ATOM 559 CA GLY A 40 -0.757 4.677 13.423 1.00 0.00 C ATOM 560 C GLY A 40 0.286 4.653 12.304 1.00 0.00 C ATOM 561 O GLY A 40 1.469 4.430 12.559 1.00 0.00 O ATOM 0 H GLY A 40 -2.160 4.060 11.993 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.960 5.708 13.714 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.363 4.169 14.303 1.00 0.00 H new ATOM 565 N PHE A 41 -0.190 4.885 11.090 1.00 0.00 N ATOM 566 CA PHE A 41 0.688 4.893 9.931 1.00 0.00 C ATOM 567 C PHE A 41 0.220 5.918 8.896 1.00 0.00 C ATOM 568 O PHE A 41 -0.496 6.861 9.231 1.00 0.00 O ATOM 569 CB PHE A 41 0.624 3.495 9.312 1.00 0.00 C ATOM 570 CG PHE A 41 0.795 2.359 10.323 1.00 0.00 C ATOM 571 CD1 PHE A 41 2.040 1.904 10.629 1.00 0.00 C ATOM 572 CD2 PHE A 41 -0.296 1.804 10.914 1.00 0.00 C ATOM 573 CE1 PHE A 41 2.199 0.850 11.566 1.00 0.00 C ATOM 574 CE2 PHE A 41 -0.137 0.749 11.851 1.00 0.00 C ATOM 575 CZ PHE A 41 1.108 0.294 12.158 1.00 0.00 C ATOM 0 H PHE A 41 -1.172 5.069 10.883 1.00 0.00 H new ATOM 0 HA PHE A 41 1.701 5.158 10.233 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.334 3.376 8.806 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.399 3.410 8.551 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.907 2.345 10.159 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.284 2.166 10.671 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.187 0.489 11.809 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.004 0.308 12.320 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.230 -0.508 12.871 1.00 0.00 H new ATOM 585 N ALA A 42 0.643 5.699 7.660 1.00 0.00 N ATOM 586 CA ALA A 42 0.276 6.592 6.574 1.00 0.00 C ATOM 587 C ALA A 42 0.834 6.044 5.259 1.00 0.00 C ATOM 588 O ALA A 42 0.082 5.795 4.318 1.00 0.00 O ATOM 589 CB ALA A 42 0.784 8.003 6.880 1.00 0.00 C ATOM 0 H ALA A 42 1.237 4.916 7.386 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.808 6.650 6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.509 8.673 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.336 8.357 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.869 7.985 6.984 1.00 0.00 H new ATOM 595 N ASN A 43 2.147 5.872 5.236 1.00 0.00 N ATOM 596 CA ASN A 43 2.814 5.358 4.052 1.00 0.00 C ATOM 597 C ASN A 43 1.966 4.243 3.438 1.00 0.00 C ATOM 598 O ASN A 43 2.029 3.096 3.878 1.00 0.00 O ATOM 599 CB ASN A 43 4.184 4.773 4.401 1.00 0.00 C ATOM 600 CG ASN A 43 5.201 5.058 3.294 1.00 0.00 C ATOM 601 OD1 ASN A 43 4.879 5.106 2.118 1.00 0.00 O ATOM 602 ND2 ASN A 43 6.442 5.243 3.734 1.00 0.00 N ATOM 0 H ASN A 43 2.767 6.080 6.019 1.00 0.00 H new ATOM 0 HA ASN A 43 2.943 6.184 3.353 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.536 5.198 5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.096 3.697 4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.194 5.439 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.642 5.189 4.733 1.00 0.00 H new ATOM 609 N ARG A 44 1.192 4.618 2.430 1.00 0.00 N ATOM 610 CA ARG A 44 0.333 3.663 1.751 1.00 0.00 C ATOM 611 C ARG A 44 1.176 2.616 1.020 1.00 0.00 C ATOM 612 O ARG A 44 0.860 1.427 1.052 1.00 0.00 O ATOM 613 CB ARG A 44 -0.582 4.364 0.744 1.00 0.00 C ATOM 614 CG ARG A 44 -1.305 3.347 -0.140 1.00 0.00 C ATOM 615 CD ARG A 44 -2.097 4.047 -1.246 1.00 0.00 C ATOM 616 NE ARG A 44 -3.547 3.828 -1.046 1.00 0.00 N ATOM 617 CZ ARG A 44 -4.505 4.454 -1.745 1.00 0.00 C ATOM 618 NH1 ARG A 44 -4.172 5.341 -2.692 1.00 0.00 N ATOM 619 NH2 ARG A 44 -5.795 4.193 -1.495 1.00 0.00 N ATOM 0 H ARG A 44 1.142 5.570 2.067 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.283 3.175 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.313 4.974 1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.006 5.039 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.580 2.665 -0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.979 2.744 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.878 5.115 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.794 3.664 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.836 3.159 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.190 5.540 -2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.901 5.817 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.048 3.518 -0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.524 4.669 -2.026 1.00 0.00 H new ATOM 633 N ASP A 45 2.232 3.095 0.379 1.00 0.00 N ATOM 634 CA ASP A 45 3.122 2.215 -0.358 1.00 0.00 C ATOM 635 C ASP A 45 3.747 1.204 0.606 1.00 0.00 C ATOM 636 O ASP A 45 3.730 0.002 0.348 1.00 0.00 O ATOM 637 CB ASP A 45 4.256 3.004 -1.015 1.00 0.00 C ATOM 638 CG ASP A 45 4.210 3.049 -2.544 1.00 0.00 C ATOM 639 OD1 ASP A 45 3.110 3.323 -3.071 1.00 0.00 O ATOM 640 OD2 ASP A 45 5.276 2.809 -3.151 1.00 0.00 O ATOM 0 H ASP A 45 2.491 4.081 0.355 1.00 0.00 H new ATOM 0 HA ASP A 45 2.537 1.713 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.235 4.026 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.207 2.569 -0.708 1.00 0.00 H new ATOM 645 N ALA A 46 4.284 1.729 1.698 1.00 0.00 N ATOM 646 CA ALA A 46 4.913 0.888 2.702 1.00 0.00 C ATOM 647 C ALA A 46 3.858 -0.026 3.329 1.00 0.00 C ATOM 648 O ALA A 46 4.120 -1.200 3.582 1.00 0.00 O ATOM 649 CB ALA A 46 5.613 1.768 3.739 1.00 0.00 C ATOM 0 H ALA A 46 4.296 2.727 1.909 1.00 0.00 H new ATOM 0 HA ALA A 46 5.673 0.251 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.085 1.137 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.372 2.376 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.881 2.419 4.217 1.00 0.00 H new ATOM 655 N ASN A 47 2.687 0.549 3.562 1.00 0.00 N ATOM 656 CA ASN A 47 1.591 -0.199 4.155 1.00 0.00 C ATOM 657 C ASN A 47 1.220 -1.366 3.237 1.00 0.00 C ATOM 658 O ASN A 47 0.911 -2.458 3.710 1.00 0.00 O ATOM 659 CB ASN A 47 0.351 0.681 4.325 1.00 0.00 C ATOM 660 CG ASN A 47 0.543 1.683 5.465 1.00 0.00 C ATOM 661 OD1 ASN A 47 1.503 1.633 6.216 1.00 0.00 O ATOM 662 ND2 ASN A 47 -0.423 2.593 5.553 1.00 0.00 N ATOM 0 H ASN A 47 2.473 1.524 3.351 1.00 0.00 H new ATOM 0 HA ASN A 47 1.917 -0.556 5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.149 1.215 3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.518 0.056 4.528 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.387 3.306 6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.199 2.578 4.892 1.00 0.00 H new ATOM 669 N LEU A 48 1.263 -1.094 1.941 1.00 0.00 N ATOM 670 CA LEU A 48 0.935 -2.107 0.953 1.00 0.00 C ATOM 671 C LEU A 48 2.055 -3.149 0.906 1.00 0.00 C ATOM 672 O LEU A 48 1.831 -4.320 1.208 1.00 0.00 O ATOM 673 CB LEU A 48 0.641 -1.459 -0.402 1.00 0.00 C ATOM 674 CG LEU A 48 -0.519 -2.063 -1.196 1.00 0.00 C ATOM 675 CD1 LEU A 48 -1.701 -2.387 -0.280 1.00 0.00 C ATOM 676 CD2 LEU A 48 -0.925 -1.148 -2.354 1.00 0.00 C ATOM 0 H LEU A 48 1.520 -0.187 1.553 1.00 0.00 H new ATOM 0 HA LEU A 48 0.022 -2.632 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.432 -0.402 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.542 -1.516 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.182 -3.004 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.512 -2.815 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.387 -3.103 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.047 -1.474 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.751 -1.600 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.237 -0.180 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.076 -1.011 -3.024 1.00 0.00 H new ATOM 688 N GLN A 49 3.236 -2.685 0.525 1.00 0.00 N ATOM 689 CA GLN A 49 4.391 -3.562 0.434 1.00 0.00 C ATOM 690 C GLN A 49 4.392 -4.559 1.594 1.00 0.00 C ATOM 691 O GLN A 49 4.783 -5.713 1.425 1.00 0.00 O ATOM 692 CB GLN A 49 5.691 -2.755 0.404 1.00 0.00 C ATOM 693 CG GLN A 49 6.668 -3.250 1.472 1.00 0.00 C ATOM 694 CD GLN A 49 8.067 -2.672 1.245 1.00 0.00 C ATOM 695 OE1 GLN A 49 8.736 -2.963 0.267 1.00 0.00 O ATOM 696 NE2 GLN A 49 8.469 -1.839 2.201 1.00 0.00 N ATOM 0 H GLN A 49 3.418 -1.713 0.276 1.00 0.00 H new ATOM 0 HA GLN A 49 4.327 -4.120 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.151 -2.836 -0.581 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.472 -1.700 0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.308 -2.963 2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.713 -4.339 1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.858 -1.639 2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.388 -1.400 2.142 1.00 0.00 H new ATOM 705 N ALA A 50 3.949 -4.079 2.747 1.00 0.00 N ATOM 706 CA ALA A 50 3.893 -4.914 3.934 1.00 0.00 C ATOM 707 C ALA A 50 2.662 -5.818 3.860 1.00 0.00 C ATOM 708 O ALA A 50 2.764 -7.030 4.048 1.00 0.00 O ATOM 709 CB ALA A 50 3.891 -4.028 5.182 1.00 0.00 C ATOM 0 H ALA A 50 3.625 -3.121 2.884 1.00 0.00 H new ATOM 0 HA ALA A 50 4.771 -5.557 3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.849 -4.655 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.800 -3.427 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.022 -3.370 5.160 1.00 0.00 H new ATOM 715 N LEU A 51 1.525 -5.195 3.584 1.00 0.00 N ATOM 716 CA LEU A 51 0.275 -5.929 3.482 1.00 0.00 C ATOM 717 C LEU A 51 0.465 -7.123 2.545 1.00 0.00 C ATOM 718 O LEU A 51 0.282 -8.270 2.950 1.00 0.00 O ATOM 719 CB LEU A 51 -0.862 -4.994 3.065 1.00 0.00 C ATOM 720 CG LEU A 51 -1.512 -4.185 4.190 1.00 0.00 C ATOM 721 CD1 LEU A 51 -1.771 -2.743 3.748 1.00 0.00 C ATOM 722 CD2 LEU A 51 -2.785 -4.869 4.692 1.00 0.00 C ATOM 0 H LEU A 51 1.444 -4.190 3.428 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.013 -6.329 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.478 -4.298 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.635 -5.589 2.579 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.817 -4.145 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.233 -2.189 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.827 -2.270 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.438 -2.741 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.227 -4.274 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.497 -4.961 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.540 -5.861 5.072 1.00 0.00 H new ATOM 734 N VAL A 52 0.829 -6.813 1.309 1.00 0.00 N ATOM 735 CA VAL A 52 1.045 -7.846 0.311 1.00 0.00 C ATOM 736 C VAL A 52 2.060 -8.860 0.844 1.00 0.00 C ATOM 737 O VAL A 52 2.029 -10.031 0.468 1.00 0.00 O ATOM 738 CB VAL A 52 1.473 -7.212 -1.014 1.00 0.00 C ATOM 739 CG1 VAL A 52 0.392 -6.269 -1.545 1.00 0.00 C ATOM 740 CG2 VAL A 52 2.811 -6.485 -0.867 1.00 0.00 C ATOM 0 H VAL A 52 0.980 -5.861 0.976 1.00 0.00 H new ATOM 0 HA VAL A 52 0.119 -8.386 0.114 1.00 0.00 H new ATOM 0 HB VAL A 52 1.605 -8.013 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.722 -5.832 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.530 -6.827 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.213 -5.475 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.092 -6.043 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.718 -5.699 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.578 -7.194 -0.555 1.00 0.00 H new ATOM 750 N ALA A 53 2.935 -8.373 1.711 1.00 0.00 N ATOM 751 CA ALA A 53 3.957 -9.222 2.300 1.00 0.00 C ATOM 752 C ALA A 53 3.299 -10.212 3.263 1.00 0.00 C ATOM 753 O ALA A 53 3.780 -11.331 3.433 1.00 0.00 O ATOM 754 CB ALA A 53 5.010 -8.351 2.988 1.00 0.00 C ATOM 0 H ALA A 53 2.958 -7.401 2.020 1.00 0.00 H new ATOM 0 HA ALA A 53 4.466 -9.801 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.777 -8.988 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.468 -7.687 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.537 -7.757 3.770 1.00 0.00 H new ATOM 760 N THR A 54 2.209 -9.763 3.868 1.00 0.00 N ATOM 761 CA THR A 54 1.480 -10.596 4.810 1.00 0.00 C ATOM 762 C THR A 54 0.220 -11.164 4.155 1.00 0.00 C ATOM 763 O THR A 54 -0.670 -11.665 4.842 1.00 0.00 O ATOM 764 CB THR A 54 1.192 -9.758 6.057 1.00 0.00 C ATOM 765 OG1 THR A 54 0.193 -8.835 5.632 1.00 0.00 O ATOM 766 CG2 THR A 54 2.374 -8.871 6.453 1.00 0.00 C ATOM 0 H THR A 54 1.813 -8.834 3.724 1.00 0.00 H new ATOM 0 HA THR A 54 2.070 -11.462 5.112 1.00 0.00 H new ATOM 0 HB THR A 54 0.940 -10.418 6.887 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.220 -8.750 4.656 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.116 -8.298 7.344 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.243 -9.495 6.662 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.606 -8.188 5.636 1.00 0.00 H new ATOM 774 N ASP A 55 0.183 -11.068 2.834 1.00 0.00 N ATOM 775 CA ASP A 55 -0.953 -11.567 2.079 1.00 0.00 C ATOM 776 C ASP A 55 -2.176 -10.694 2.370 1.00 0.00 C ATOM 777 O ASP A 55 -3.306 -11.179 2.357 1.00 0.00 O ATOM 778 CB ASP A 55 -1.292 -13.004 2.477 1.00 0.00 C ATOM 779 CG ASP A 55 -1.509 -13.966 1.307 1.00 0.00 C ATOM 780 OD1 ASP A 55 -1.147 -13.575 0.177 1.00 0.00 O ATOM 781 OD2 ASP A 55 -2.031 -15.071 1.570 1.00 0.00 O ATOM 0 H ASP A 55 0.922 -10.652 2.267 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.693 -11.539 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.487 -13.391 3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.193 -12.992 3.090 1.00 0.00 H new ATOM 786 N GLY A 56 -1.908 -9.422 2.627 1.00 0.00 N ATOM 787 CA GLY A 56 -2.972 -8.478 2.921 1.00 0.00 C ATOM 788 C GLY A 56 -3.421 -8.594 4.379 1.00 0.00 C ATOM 789 O GLY A 56 -4.604 -8.447 4.682 1.00 0.00 O ATOM 0 H GLY A 56 -0.969 -9.023 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.628 -7.463 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.819 -8.662 2.260 1.00 0.00 H new ATOM 793 N ASP A 57 -2.451 -8.856 5.244 1.00 0.00 N ATOM 794 CA ASP A 57 -2.731 -8.994 6.663 1.00 0.00 C ATOM 795 C ASP A 57 -2.287 -7.724 7.391 1.00 0.00 C ATOM 796 O ASP A 57 -1.187 -7.671 7.940 1.00 0.00 O ATOM 797 CB ASP A 57 -1.967 -10.175 7.263 1.00 0.00 C ATOM 798 CG ASP A 57 -2.805 -11.431 7.508 1.00 0.00 C ATOM 799 OD1 ASP A 57 -3.833 -11.300 8.207 1.00 0.00 O ATOM 800 OD2 ASP A 57 -2.400 -12.494 6.990 1.00 0.00 O ATOM 0 H ASP A 57 -1.471 -8.976 4.989 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.802 -9.161 6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.143 -10.431 6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.527 -9.860 8.209 1.00 0.00 H new ATOM 805 N ILE A 58 -3.165 -6.732 7.373 1.00 0.00 N ATOM 806 CA ILE A 58 -2.877 -5.465 8.025 1.00 0.00 C ATOM 807 C ILE A 58 -2.331 -5.732 9.429 1.00 0.00 C ATOM 808 O ILE A 58 -1.452 -5.015 9.904 1.00 0.00 O ATOM 809 CB ILE A 58 -4.110 -4.560 8.006 1.00 0.00 C ATOM 810 CG1 ILE A 58 -3.719 -3.095 8.210 1.00 0.00 C ATOM 811 CG2 ILE A 58 -5.147 -5.025 9.032 1.00 0.00 C ATOM 812 CD1 ILE A 58 -4.871 -2.162 7.832 1.00 0.00 C ATOM 0 H ILE A 58 -4.076 -6.780 6.917 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.104 -4.923 7.480 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.573 -4.635 7.022 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.440 -2.931 9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.843 -2.861 7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.014 -4.365 8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.458 -6.044 8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.709 -4.998 10.030 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.566 -1.127 7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.131 -2.311 6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.737 -2.382 8.456 1.00 0.00 H new ATOM 824 N HIS A 59 -2.875 -6.766 10.054 1.00 0.00 N ATOM 825 CA HIS A 59 -2.454 -7.136 11.395 1.00 0.00 C ATOM 826 C HIS A 59 -0.955 -7.440 11.396 1.00 0.00 C ATOM 827 O HIS A 59 -0.193 -6.821 12.137 1.00 0.00 O ATOM 828 CB HIS A 59 -3.295 -8.299 11.927 1.00 0.00 C ATOM 829 CG HIS A 59 -4.672 -7.896 12.398 1.00 0.00 C ATOM 830 ND1 HIS A 59 -4.908 -7.357 13.651 1.00 0.00 N ATOM 831 CD2 HIS A 59 -5.881 -7.957 11.771 1.00 0.00 C ATOM 832 CE1 HIS A 59 -6.205 -7.111 13.762 1.00 0.00 C ATOM 833 NE2 HIS A 59 -6.807 -7.484 12.596 1.00 0.00 N ATOM 0 H HIS A 59 -3.604 -7.359 9.657 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.621 -6.301 12.076 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.396 -9.050 11.143 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.763 -8.770 12.753 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.056 -8.328 10.772 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.699 -6.689 14.625 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.804 -7.411 12.392 1.00 0.00 H new ATOM 841 N ALA A 60 -0.576 -8.393 10.557 1.00 0.00 N ATOM 842 CA ALA A 60 0.819 -8.787 10.452 1.00 0.00 C ATOM 843 C ALA A 60 1.603 -7.683 9.740 1.00 0.00 C ATOM 844 O ALA A 60 2.833 -7.664 9.781 1.00 0.00 O ATOM 845 CB ALA A 60 0.917 -10.131 9.729 1.00 0.00 C ATOM 0 H ALA A 60 -1.211 -8.904 9.943 1.00 0.00 H new ATOM 0 HA ALA A 60 1.257 -8.917 11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.963 -10.426 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.368 -10.887 10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.490 -10.039 8.730 1.00 0.00 H new ATOM 851 N ALA A 61 0.860 -6.790 9.103 1.00 0.00 N ATOM 852 CA ALA A 61 1.471 -5.685 8.382 1.00 0.00 C ATOM 853 C ALA A 61 1.905 -4.609 9.380 1.00 0.00 C ATOM 854 O ALA A 61 2.961 -4.000 9.220 1.00 0.00 O ATOM 855 CB ALA A 61 0.488 -5.151 7.339 1.00 0.00 C ATOM 0 H ALA A 61 -0.159 -6.809 9.071 1.00 0.00 H new ATOM 0 HA ALA A 61 2.362 -6.019 7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.946 -4.323 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.234 -5.946 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.417 -4.803 7.837 1.00 0.00 H new ATOM 861 N ILE A 62 1.067 -4.409 10.387 1.00 0.00 N ATOM 862 CA ILE A 62 1.351 -3.417 11.410 1.00 0.00 C ATOM 863 C ILE A 62 2.757 -3.653 11.967 1.00 0.00 C ATOM 864 O ILE A 62 3.647 -2.824 11.786 1.00 0.00 O ATOM 865 CB ILE A 62 0.257 -3.422 12.479 1.00 0.00 C ATOM 866 CG1 ILE A 62 -0.973 -2.643 12.010 1.00 0.00 C ATOM 867 CG2 ILE A 62 0.792 -2.899 13.814 1.00 0.00 C ATOM 868 CD1 ILE A 62 -2.100 -2.723 13.041 1.00 0.00 C ATOM 0 H ILE A 62 0.192 -4.917 10.516 1.00 0.00 H new ATOM 0 HA ILE A 62 1.342 -2.415 10.982 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.058 -4.453 12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.704 -1.600 11.840 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.319 -3.042 11.057 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.006 -2.913 14.556 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.612 -3.533 14.151 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.151 -1.878 13.687 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.962 -2.161 12.682 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.383 -3.765 13.190 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.759 -2.301 13.986 1.00 0.00 H new ATOM 880 N GLU A 63 2.912 -4.787 12.633 1.00 0.00 N ATOM 881 CA GLU A 63 4.194 -5.143 13.217 1.00 0.00 C ATOM 882 C GLU A 63 5.323 -4.883 12.218 1.00 0.00 C ATOM 883 O GLU A 63 6.354 -4.315 12.576 1.00 0.00 O ATOM 884 CB GLU A 63 4.199 -6.600 13.683 1.00 0.00 C ATOM 885 CG GLU A 63 3.734 -7.535 12.565 1.00 0.00 C ATOM 886 CD GLU A 63 4.921 -8.261 11.928 1.00 0.00 C ATOM 887 OE1 GLU A 63 5.636 -8.951 12.686 1.00 0.00 O ATOM 888 OE2 GLU A 63 5.085 -8.110 10.699 1.00 0.00 O ATOM 0 H GLU A 63 2.171 -5.472 12.781 1.00 0.00 H new ATOM 0 HA GLU A 63 4.359 -4.516 14.093 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.203 -6.880 14.002 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.547 -6.711 14.549 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.030 -8.264 12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.203 -6.962 11.805 1.00 0.00 H new ATOM 895 N MET A 64 5.090 -5.310 10.986 1.00 0.00 N ATOM 896 CA MET A 64 6.075 -5.130 9.933 1.00 0.00 C ATOM 897 C MET A 64 6.318 -3.645 9.657 1.00 0.00 C ATOM 898 O MET A 64 7.421 -3.252 9.281 1.00 0.00 O ATOM 899 CB MET A 64 5.586 -5.814 8.654 1.00 0.00 C ATOM 900 CG MET A 64 6.483 -6.998 8.288 1.00 0.00 C ATOM 901 SD MET A 64 5.642 -8.065 7.130 1.00 0.00 S ATOM 902 CE MET A 64 5.585 -6.992 5.705 1.00 0.00 C ATOM 0 H MET A 64 4.234 -5.780 10.693 1.00 0.00 H new ATOM 0 HA MET A 64 7.014 -5.578 10.259 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.561 -6.158 8.791 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.574 -5.095 7.835 1.00 0.00 H new ATOM 0 HG2 MET A 64 7.415 -6.638 7.853 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.746 -7.557 9.186 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.556 -6.904 5.357 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.962 -6.006 5.977 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.202 -7.410 4.910 1.00 0.00 H new ATOM 912 N LEU A 65 5.269 -2.860 9.854 1.00 0.00 N ATOM 913 CA LEU A 65 5.354 -1.427 9.632 1.00 0.00 C ATOM 914 C LEU A 65 5.863 -0.747 10.904 1.00 0.00 C ATOM 915 O LEU A 65 6.440 0.338 10.845 1.00 0.00 O ATOM 916 CB LEU A 65 4.014 -0.881 9.136 1.00 0.00 C ATOM 917 CG LEU A 65 3.574 -1.345 7.746 1.00 0.00 C ATOM 918 CD1 LEU A 65 2.060 -1.201 7.574 1.00 0.00 C ATOM 919 CD2 LEU A 65 4.348 -0.608 6.651 1.00 0.00 C ATOM 0 H LEU A 65 4.355 -3.190 10.165 1.00 0.00 H new ATOM 0 HA LEU A 65 6.073 -1.206 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.242 -1.162 9.852 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.066 0.208 9.134 1.00 0.00 H new ATOM 0 HG LEU A 65 3.810 -2.405 7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.773 -1.538 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.550 -1.807 8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.777 -0.156 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.016 -0.957 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.166 0.463 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.414 -0.805 6.764 1.00 0.00 H new ATOM 931 N LEU A 66 5.629 -1.412 12.026 1.00 0.00 N ATOM 932 CA LEU A 66 6.056 -0.885 13.311 1.00 0.00 C ATOM 933 C LEU A 66 7.578 -0.730 13.314 1.00 0.00 C ATOM 934 O LEU A 66 8.127 0.024 14.116 1.00 0.00 O ATOM 935 CB LEU A 66 5.524 -1.756 14.451 1.00 0.00 C ATOM 936 CG LEU A 66 4.236 -1.272 15.121 1.00 0.00 C ATOM 937 CD1 LEU A 66 3.311 -0.595 14.107 1.00 0.00 C ATOM 938 CD2 LEU A 66 3.538 -2.416 15.859 1.00 0.00 C ATOM 0 H LEU A 66 5.149 -2.311 12.072 1.00 0.00 H new ATOM 0 HA LEU A 66 5.634 0.107 13.475 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.353 -2.761 14.065 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.299 -1.835 15.213 1.00 0.00 H new ATOM 0 HG LEU A 66 4.500 -0.522 15.867 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.403 -0.261 14.609 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.819 0.263 13.667 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.051 -1.305 13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.626 -2.045 16.326 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.288 -3.206 15.151 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.203 -2.813 16.626 1.00 0.00 H new ATOM 950 N GLY A 67 8.216 -1.457 12.409 1.00 0.00 N ATOM 951 CA GLY A 67 9.664 -1.411 12.297 1.00 0.00 C ATOM 952 C GLY A 67 10.301 -2.663 12.902 1.00 0.00 C ATOM 953 O GLY A 67 11.405 -2.604 13.441 1.00 0.00 O ATOM 0 H GLY A 67 7.757 -2.082 11.746 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.949 -1.324 11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.044 -0.524 12.805 1.00 0.00 H new ATOM 957 N ALA A 68 9.578 -3.768 12.791 1.00 0.00 N ATOM 958 CA ALA A 68 10.059 -5.033 13.321 1.00 0.00 C ATOM 959 C ALA A 68 10.846 -5.769 12.235 1.00 0.00 C ATOM 960 O ALA A 68 12.070 -5.867 12.308 1.00 0.00 O ATOM 961 CB ALA A 68 8.876 -5.852 13.840 1.00 0.00 C ATOM 0 H ALA A 68 8.663 -3.814 12.342 1.00 0.00 H new ATOM 0 HA ALA A 68 10.733 -4.866 14.161 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.237 -6.801 14.237 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.368 -5.298 14.629 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.179 -6.042 13.024 1.00 0.00 H new ATOM 967 N SER A 69 10.112 -6.268 11.252 1.00 0.00 N ATOM 968 CA SER A 69 10.726 -6.993 10.152 1.00 0.00 C ATOM 969 C SER A 69 11.202 -6.010 9.080 1.00 0.00 C ATOM 970 O SER A 69 10.531 -5.018 8.800 1.00 0.00 O ATOM 971 CB SER A 69 9.752 -8.006 9.548 1.00 0.00 C ATOM 972 OG SER A 69 10.324 -9.308 9.458 1.00 0.00 O ATOM 0 H SER A 69 9.097 -6.185 11.194 1.00 0.00 H new ATOM 0 HA SER A 69 11.584 -7.542 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.849 -8.048 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.452 -7.672 8.555 1.00 0.00 H new ATOM 0 HG SER A 69 9.671 -9.926 9.069 1.00 0.00 H new ATOM 978 N GLY A 70 12.356 -6.322 8.508 1.00 0.00 N ATOM 979 CA GLY A 70 12.930 -5.479 7.473 1.00 0.00 C ATOM 980 C GLY A 70 13.760 -6.307 6.490 1.00 0.00 C ATOM 981 O GLY A 70 13.264 -6.710 5.439 1.00 0.00 O ATOM 0 H GLY A 70 12.909 -7.147 8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.134 -4.962 6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.557 -4.713 7.929 1.00 0.00 H new ATOM 985 N PRO A 71 15.043 -6.541 6.876 1.00 0.00 N ATOM 986 CA PRO A 71 15.947 -7.313 6.041 1.00 0.00 C ATOM 987 C PRO A 71 15.617 -8.805 6.110 1.00 0.00 C ATOM 988 O PRO A 71 14.798 -9.227 6.924 1.00 0.00 O ATOM 989 CB PRO A 71 17.338 -6.987 6.560 1.00 0.00 C ATOM 990 CG PRO A 71 17.139 -6.414 7.954 1.00 0.00 C ATOM 991 CD PRO A 71 15.665 -6.078 8.113 1.00 0.00 C ATOM 0 HA PRO A 71 15.862 -7.061 4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 71 17.963 -7.880 6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.839 -6.269 5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 71 17.450 -7.134 8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.751 -5.522 8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.237 -6.577 8.982 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.516 -5.008 8.254 1.00 0.00 H new ATOM 999 N SER A 72 16.273 -9.564 5.244 1.00 0.00 N ATOM 1000 CA SER A 72 16.060 -11.001 5.197 1.00 0.00 C ATOM 1001 C SER A 72 16.781 -11.676 6.365 1.00 0.00 C ATOM 1002 O SER A 72 17.557 -11.036 7.074 1.00 0.00 O ATOM 1003 CB SER A 72 16.541 -11.586 3.867 1.00 0.00 C ATOM 1004 OG SER A 72 15.909 -12.828 3.571 1.00 0.00 O ATOM 0 H SER A 72 16.952 -9.211 4.570 1.00 0.00 H new ATOM 0 HA SER A 72 14.990 -11.191 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.339 -10.876 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.621 -11.728 3.903 1.00 0.00 H new ATOM 0 HG SER A 72 16.479 -13.565 3.873 1.00 0.00 H new ATOM 1010 N SER A 73 16.500 -12.960 6.531 1.00 0.00 N ATOM 1011 CA SER A 73 17.112 -13.728 7.601 1.00 0.00 C ATOM 1012 C SER A 73 16.521 -13.310 8.950 1.00 0.00 C ATOM 1013 O SER A 73 15.845 -14.099 9.607 1.00 0.00 O ATOM 1014 CB SER A 73 18.631 -13.549 7.609 1.00 0.00 C ATOM 1015 OG SER A 73 19.312 -14.756 7.278 1.00 0.00 O ATOM 0 H SER A 73 15.856 -13.488 5.942 1.00 0.00 H new ATOM 0 HA SER A 73 16.899 -14.783 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.908 -12.770 6.899 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.951 -13.211 8.594 1.00 0.00 H new ATOM 0 HG SER A 73 20.279 -14.600 7.292 1.00 0.00 H new ATOM 1021 N GLY A 74 16.799 -12.069 9.322 1.00 0.00 N ATOM 1022 CA GLY A 74 16.304 -11.536 10.579 1.00 0.00 C ATOM 1023 C GLY A 74 14.904 -10.943 10.411 1.00 0.00 C ATOM 1024 O GLY A 74 14.568 -9.945 11.047 1.00 0.00 O ATOM 0 H GLY A 74 17.361 -11.417 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.280 -12.327 11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.986 -10.769 10.946 1.00 0.00 H new TER 1028 GLY A 74