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+ -114:sc= 0.0865 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.727 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= -0.0213 X(o=-0.021,f=-0.12) 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= -0.0862 K(o=-0.086,f=-0.94) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00983 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.97! K(o=-2!,f=-0.95) USER MOD Single : A 31 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.452 K(o=-0.45,f=-2.1!) USER MOD Single : A 47 ASN : amide:sc= -3.91! C(o=-3.9!,f=-7!) USER MOD Single : A 49 GLN : amide:sc=-0.00641 X(o=-0.0064,f=0) USER MOD Single : A 54 THR OG1 : rot -38:sc= 1.98 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -151:sc= -0.111 (180deg=-0.652) 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 -17.431 26.736 -47.213 1.00 0.00 N ATOM 2 CA GLY A 1 -16.902 26.053 -46.045 1.00 0.00 C ATOM 3 C GLY A 1 -16.883 24.538 -46.257 1.00 0.00 C ATOM 4 O GLY A 1 -17.563 24.023 -47.143 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.681 27.308 -47.650 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.776 26.034 -47.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.216 27.355 -46.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.892 26.407 -45.838 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.509 26.294 -45.172 1.00 0.00 H new ATOM 8 N SER A 2 -16.097 23.866 -45.428 1.00 0.00 N ATOM 9 CA SER A 2 -15.980 22.421 -45.514 1.00 0.00 C ATOM 10 C SER A 2 -15.912 21.817 -44.109 1.00 0.00 C ATOM 11 O SER A 2 -15.747 22.539 -43.127 1.00 0.00 O ATOM 12 CB SER A 2 -14.749 22.015 -46.326 1.00 0.00 C ATOM 13 OG SER A 2 -15.026 20.930 -47.208 1.00 0.00 O ATOM 0 H SER A 2 -15.535 24.296 -44.694 1.00 0.00 H new ATOM 0 HA SER A 2 -16.862 22.037 -46.026 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.397 22.870 -46.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.943 21.734 -45.648 1.00 0.00 H new ATOM 0 HG SER A 2 -14.216 20.701 -47.710 1.00 0.00 H new ATOM 19 N SER A 3 -16.041 20.499 -44.059 1.00 0.00 N ATOM 20 CA SER A 3 -15.996 19.791 -42.792 1.00 0.00 C ATOM 21 C SER A 3 -15.824 18.290 -43.037 1.00 0.00 C ATOM 22 O SER A 3 -16.140 17.794 -44.117 1.00 0.00 O ATOM 23 CB SER A 3 -17.260 20.052 -41.969 1.00 0.00 C ATOM 24 OG SER A 3 -17.102 21.158 -41.085 1.00 0.00 O ATOM 0 H SER A 3 -16.177 19.903 -44.876 1.00 0.00 H new ATOM 0 HA SER A 3 -15.142 20.161 -42.224 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.097 20.241 -42.641 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.508 19.160 -41.393 1.00 0.00 H new ATOM 0 HG SER A 3 -16.632 21.882 -41.548 1.00 0.00 H new ATOM 30 N GLY A 4 -15.323 17.610 -42.016 1.00 0.00 N ATOM 31 CA GLY A 4 -15.105 16.176 -42.107 1.00 0.00 C ATOM 32 C GLY A 4 -15.597 15.465 -40.845 1.00 0.00 C ATOM 33 O GLY A 4 -16.211 16.086 -39.978 1.00 0.00 O ATOM 0 H GLY A 4 -15.062 18.025 -41.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.626 15.780 -42.978 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.044 15.974 -42.252 1.00 0.00 H new ATOM 37 N SER A 5 -15.309 14.174 -40.782 1.00 0.00 N ATOM 38 CA SER A 5 -15.715 13.372 -39.640 1.00 0.00 C ATOM 39 C SER A 5 -15.205 11.938 -39.800 1.00 0.00 C ATOM 40 O SER A 5 -15.044 11.454 -40.919 1.00 0.00 O ATOM 41 CB SER A 5 -17.236 13.379 -39.474 1.00 0.00 C ATOM 42 OG SER A 5 -17.884 12.587 -40.466 1.00 0.00 O ATOM 0 H SER A 5 -14.799 13.663 -41.503 1.00 0.00 H new ATOM 0 HA SER A 5 -15.277 13.809 -38.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.495 13.003 -38.484 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.602 14.404 -39.532 1.00 0.00 H new ATOM 0 HG SER A 5 -18.853 12.615 -40.325 1.00 0.00 H new ATOM 48 N SER A 6 -14.966 11.299 -38.664 1.00 0.00 N ATOM 49 CA SER A 6 -14.478 9.930 -38.665 1.00 0.00 C ATOM 50 C SER A 6 -14.919 9.217 -37.385 1.00 0.00 C ATOM 51 O SER A 6 -15.241 9.864 -36.389 1.00 0.00 O ATOM 52 CB SER A 6 -12.954 9.889 -38.797 1.00 0.00 C ATOM 53 OG SER A 6 -12.505 8.694 -39.430 1.00 0.00 O ATOM 0 H SER A 6 -15.101 11.703 -37.737 1.00 0.00 H new ATOM 0 HA SER A 6 -14.904 9.415 -39.526 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.616 10.752 -39.371 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.502 9.967 -37.808 1.00 0.00 H new ATOM 0 HG SER A 6 -11.527 8.707 -39.497 1.00 0.00 H new ATOM 59 N GLY A 7 -14.921 7.894 -37.453 1.00 0.00 N ATOM 60 CA GLY A 7 -15.318 7.086 -36.313 1.00 0.00 C ATOM 61 C GLY A 7 -14.096 6.631 -35.512 1.00 0.00 C ATOM 62 O GLY A 7 -12.959 6.864 -35.920 1.00 0.00 O ATOM 0 H GLY A 7 -14.654 7.361 -38.281 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.985 7.660 -35.670 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.877 6.216 -36.657 1.00 0.00 H new ATOM 66 N ALA A 8 -14.372 5.990 -34.386 1.00 0.00 N ATOM 67 CA ALA A 8 -13.310 5.500 -33.524 1.00 0.00 C ATOM 68 C ALA A 8 -13.689 4.117 -32.990 1.00 0.00 C ATOM 69 O ALA A 8 -14.862 3.843 -32.743 1.00 0.00 O ATOM 70 CB ALA A 8 -13.056 6.508 -32.402 1.00 0.00 C ATOM 0 H ALA A 8 -15.316 5.799 -34.051 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.381 5.394 -34.084 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.259 6.140 -31.756 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.761 7.465 -32.833 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.966 6.638 -31.817 1.00 0.00 H new ATOM 76 N ARG A 9 -12.673 3.281 -32.828 1.00 0.00 N ATOM 77 CA ARG A 9 -12.885 1.934 -32.328 1.00 0.00 C ATOM 78 C ARG A 9 -12.654 1.886 -30.817 1.00 0.00 C ATOM 79 O ARG A 9 -11.546 2.139 -30.346 1.00 0.00 O ATOM 80 CB ARG A 9 -11.946 0.938 -33.013 1.00 0.00 C ATOM 81 CG ARG A 9 -12.685 0.137 -34.087 1.00 0.00 C ATOM 82 CD ARG A 9 -12.957 -1.292 -33.614 1.00 0.00 C ATOM 83 NE ARG A 9 -13.934 -1.945 -34.514 1.00 0.00 N ATOM 84 CZ ARG A 9 -14.684 -3.001 -34.169 1.00 0.00 C ATOM 85 NH1 ARG A 9 -14.574 -3.529 -32.943 1.00 0.00 N ATOM 86 NH2 ARG A 9 -15.545 -3.528 -35.051 1.00 0.00 N ATOM 0 H ARG A 9 -11.701 3.511 -33.034 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.915 1.656 -32.550 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.110 1.472 -33.464 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.527 0.258 -32.271 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.627 0.629 -34.329 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.092 0.115 -35.002 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.028 -1.862 -33.598 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.341 -1.279 -32.594 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.043 -1.568 -35.455 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.919 -3.127 -32.272 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.145 -4.333 -32.681 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.629 -3.125 -35.984 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.116 -4.332 -34.789 1.00 0.00 H new ATOM 100 N ALA A 10 -13.718 1.559 -30.097 1.00 0.00 N ATOM 101 CA ALA A 10 -13.644 1.474 -28.649 1.00 0.00 C ATOM 102 C ALA A 10 -12.340 0.783 -28.248 1.00 0.00 C ATOM 103 O ALA A 10 -11.522 1.359 -27.532 1.00 0.00 O ATOM 104 CB ALA A 10 -14.879 0.744 -28.117 1.00 0.00 C ATOM 0 H ALA A 10 -14.636 1.350 -30.490 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.638 2.470 -28.206 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.824 0.680 -27.030 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.777 1.292 -28.403 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.917 -0.261 -28.538 1.00 0.00 H new ATOM 110 N CYS A 11 -12.186 -0.443 -28.726 1.00 0.00 N ATOM 111 CA CYS A 11 -10.995 -1.220 -28.427 1.00 0.00 C ATOM 112 C CYS A 11 -10.920 -1.419 -26.911 1.00 0.00 C ATOM 113 O CYS A 11 -11.478 -0.630 -26.150 1.00 0.00 O ATOM 114 CB CYS A 11 -9.733 -0.554 -28.978 1.00 0.00 C ATOM 115 SG CYS A 11 -8.485 -1.827 -29.394 1.00 0.00 S ATOM 0 H CYS A 11 -12.867 -0.918 -29.319 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.058 -2.191 -28.918 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.978 0.031 -29.865 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.326 0.139 -28.242 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.418 -1.252 -29.863 1.00 0.00 H new ATOM 121 N SER A 12 -10.227 -2.478 -26.520 1.00 0.00 N ATOM 122 CA SER A 12 -10.072 -2.791 -25.109 1.00 0.00 C ATOM 123 C SER A 12 -8.881 -3.731 -24.910 1.00 0.00 C ATOM 124 O SER A 12 -9.045 -4.950 -24.887 1.00 0.00 O ATOM 125 CB SER A 12 -11.346 -3.420 -24.541 1.00 0.00 C ATOM 126 OG SER A 12 -11.486 -3.174 -23.145 1.00 0.00 O ATOM 0 H SER A 12 -9.767 -3.130 -27.155 1.00 0.00 H new ATOM 0 HA SER A 12 -9.887 -1.862 -24.570 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.213 -3.022 -25.068 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.330 -4.495 -24.720 1.00 0.00 H new ATOM 0 HG SER A 12 -12.312 -3.590 -22.821 1.00 0.00 H new ATOM 132 N GLN A 13 -7.710 -3.129 -24.770 1.00 0.00 N ATOM 133 CA GLN A 13 -6.492 -3.897 -24.573 1.00 0.00 C ATOM 134 C GLN A 13 -6.489 -4.540 -23.184 1.00 0.00 C ATOM 135 O GLN A 13 -5.723 -4.136 -22.311 1.00 0.00 O ATOM 136 CB GLN A 13 -5.253 -3.022 -24.775 1.00 0.00 C ATOM 137 CG GLN A 13 -4.078 -3.848 -25.301 1.00 0.00 C ATOM 138 CD GLN A 13 -2.756 -3.102 -25.116 1.00 0.00 C ATOM 139 OE1 GLN A 13 -2.420 -2.641 -24.037 1.00 0.00 O ATOM 140 NE2 GLN A 13 -2.027 -3.009 -26.224 1.00 0.00 N ATOM 0 H GLN A 13 -7.578 -2.118 -24.789 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.461 -4.691 -25.320 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.481 -2.219 -25.476 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.978 -2.552 -23.831 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.037 -4.803 -24.777 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.229 -4.070 -26.357 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.368 -3.418 -27.094 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.127 -2.529 -26.204 1.00 0.00 H new ATOM 149 N SER A 14 -7.355 -5.530 -23.024 1.00 0.00 N ATOM 150 CA SER A 14 -7.461 -6.233 -21.757 1.00 0.00 C ATOM 151 C SER A 14 -6.070 -6.440 -21.155 1.00 0.00 C ATOM 152 O SER A 14 -5.309 -7.288 -21.618 1.00 0.00 O ATOM 153 CB SER A 14 -8.170 -7.577 -21.930 1.00 0.00 C ATOM 154 OG SER A 14 -9.104 -7.828 -20.884 1.00 0.00 O ATOM 0 H SER A 14 -7.989 -5.862 -23.751 1.00 0.00 H new ATOM 0 HA SER A 14 -8.057 -5.624 -21.077 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.688 -7.593 -22.889 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.430 -8.377 -21.954 1.00 0.00 H new ATOM 0 HG SER A 14 -9.536 -8.695 -21.032 1.00 0.00 H new ATOM 160 N SER A 15 -5.780 -5.651 -20.130 1.00 0.00 N ATOM 161 CA SER A 15 -4.494 -5.738 -19.460 1.00 0.00 C ATOM 162 C SER A 15 -4.066 -7.201 -19.336 1.00 0.00 C ATOM 163 O SER A 15 -4.805 -8.025 -18.800 1.00 0.00 O ATOM 164 CB SER A 15 -4.548 -5.082 -18.079 1.00 0.00 C ATOM 165 OG SER A 15 -4.170 -3.709 -18.124 1.00 0.00 O ATOM 0 H SER A 15 -6.414 -4.949 -19.748 1.00 0.00 H new ATOM 0 HA SER A 15 -3.759 -5.201 -20.060 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.558 -5.167 -17.677 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.887 -5.618 -17.397 1.00 0.00 H new ATOM 0 HG SER A 15 -4.219 -3.326 -17.223 1.00 0.00 H new ATOM 171 N GLN A 16 -2.873 -7.480 -19.841 1.00 0.00 N ATOM 172 CA GLN A 16 -2.337 -8.830 -19.794 1.00 0.00 C ATOM 173 C GLN A 16 -2.686 -9.493 -18.460 1.00 0.00 C ATOM 174 O GLN A 16 -2.859 -8.812 -17.451 1.00 0.00 O ATOM 175 CB GLN A 16 -0.825 -8.828 -20.027 1.00 0.00 C ATOM 176 CG GLN A 16 -0.498 -9.038 -21.507 1.00 0.00 C ATOM 177 CD GLN A 16 0.913 -9.604 -21.682 1.00 0.00 C ATOM 178 OE1 GLN A 16 1.376 -10.434 -20.917 1.00 0.00 O ATOM 179 NE2 GLN A 16 1.568 -9.111 -22.729 1.00 0.00 N ATOM 0 H GLN A 16 -2.262 -6.794 -20.285 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.794 -9.410 -20.596 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.402 -7.882 -19.688 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.361 -9.615 -19.433 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.224 -9.719 -21.951 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.582 -8.091 -22.040 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.122 -8.418 -23.330 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.517 -9.426 -22.931 1.00 0.00 H new ATOM 188 N THR A 17 -2.778 -10.814 -18.499 1.00 0.00 N ATOM 189 CA THR A 17 -3.103 -11.577 -17.306 1.00 0.00 C ATOM 190 C THR A 17 -1.872 -12.338 -16.808 1.00 0.00 C ATOM 191 O THR A 17 -0.965 -12.634 -17.584 1.00 0.00 O ATOM 192 CB THR A 17 -4.288 -12.487 -17.634 1.00 0.00 C ATOM 193 OG1 THR A 17 -4.632 -13.074 -16.382 1.00 0.00 O ATOM 194 CG2 THR A 17 -3.888 -13.678 -18.507 1.00 0.00 C ATOM 0 H THR A 17 -2.633 -11.376 -19.338 1.00 0.00 H new ATOM 0 HA THR A 17 -3.396 -10.922 -16.485 1.00 0.00 H new ATOM 0 HB THR A 17 -5.060 -11.909 -18.141 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.394 -13.678 -16.502 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.766 -14.291 -18.710 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.473 -13.316 -19.448 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.140 -14.276 -17.986 1.00 0.00 H new ATOM 202 N ALA A 18 -1.881 -12.632 -15.516 1.00 0.00 N ATOM 203 CA ALA A 18 -0.776 -13.352 -14.905 1.00 0.00 C ATOM 204 C ALA A 18 0.443 -12.432 -14.820 1.00 0.00 C ATOM 205 O ALA A 18 1.513 -12.766 -15.325 1.00 0.00 O ATOM 206 CB ALA A 18 -0.492 -14.624 -15.706 1.00 0.00 C ATOM 0 H ALA A 18 -2.635 -12.385 -14.876 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.030 -13.655 -13.889 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.337 -15.165 -15.249 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.380 -15.257 -15.711 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.230 -14.358 -16.730 1.00 0.00 H new ATOM 212 N LEU A 19 0.239 -11.291 -14.178 1.00 0.00 N ATOM 213 CA LEU A 19 1.309 -10.320 -14.020 1.00 0.00 C ATOM 214 C LEU A 19 1.085 -9.526 -12.731 1.00 0.00 C ATOM 215 O LEU A 19 -0.011 -9.537 -12.174 1.00 0.00 O ATOM 216 CB LEU A 19 1.426 -9.444 -15.269 1.00 0.00 C ATOM 217 CG LEU A 19 0.600 -8.157 -15.265 1.00 0.00 C ATOM 218 CD1 LEU A 19 0.815 -7.363 -16.556 1.00 0.00 C ATOM 219 CD2 LEU A 19 -0.880 -8.455 -15.016 1.00 0.00 C ATOM 0 H LEU A 19 -0.651 -11.017 -13.761 1.00 0.00 H new ATOM 0 HA LEU A 19 2.270 -10.825 -13.921 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.474 -9.179 -15.406 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.132 -10.038 -16.134 1.00 0.00 H new ATOM 0 HG LEU A 19 0.946 -7.533 -14.441 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.216 -6.453 -16.527 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.869 -7.101 -16.651 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.513 -7.969 -17.410 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.444 -7.522 -15.018 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.257 -9.109 -15.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.995 -8.946 -14.050 1.00 0.00 H new ATOM 231 N PRO A 20 2.170 -8.839 -12.284 1.00 0.00 N ATOM 232 CA PRO A 20 2.103 -8.041 -11.071 1.00 0.00 C ATOM 233 C PRO A 20 1.335 -6.740 -11.313 1.00 0.00 C ATOM 234 O PRO A 20 1.938 -5.691 -11.537 1.00 0.00 O ATOM 235 CB PRO A 20 3.551 -7.810 -10.671 1.00 0.00 C ATOM 236 CG PRO A 20 4.376 -8.087 -11.917 1.00 0.00 C ATOM 237 CD PRO A 20 3.484 -8.803 -12.918 1.00 0.00 C ATOM 0 HA PRO A 20 1.557 -8.539 -10.270 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.702 -6.788 -10.322 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.841 -8.472 -9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.753 -7.156 -12.340 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.243 -8.700 -11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.450 -8.272 -13.869 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.851 -9.808 -13.127 1.00 0.00 H new ATOM 245 N THR A 21 0.016 -6.850 -11.259 1.00 0.00 N ATOM 246 CA THR A 21 -0.841 -5.695 -11.469 1.00 0.00 C ATOM 247 C THR A 21 -0.696 -4.706 -10.311 1.00 0.00 C ATOM 248 O THR A 21 -0.860 -5.076 -9.150 1.00 0.00 O ATOM 249 CB THR A 21 -2.273 -6.198 -11.664 1.00 0.00 C ATOM 250 OG1 THR A 21 -2.346 -6.510 -13.052 1.00 0.00 O ATOM 251 CG2 THR A 21 -3.313 -5.091 -11.475 1.00 0.00 C ATOM 0 H THR A 21 -0.481 -7.721 -11.073 1.00 0.00 H new ATOM 0 HA THR A 21 -0.551 -5.144 -12.363 1.00 0.00 H new ATOM 0 HB THR A 21 -2.472 -7.007 -10.961 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.242 -6.845 -13.265 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.312 -5.501 -11.624 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.234 -4.686 -10.466 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.135 -4.297 -12.200 1.00 0.00 H new ATOM 259 N SER A 22 -0.391 -3.467 -10.668 1.00 0.00 N ATOM 260 CA SER A 22 -0.223 -2.422 -9.673 1.00 0.00 C ATOM 261 C SER A 22 -1.572 -2.083 -9.036 1.00 0.00 C ATOM 262 O SER A 22 -1.634 -1.716 -7.863 1.00 0.00 O ATOM 263 CB SER A 22 0.401 -1.169 -10.291 1.00 0.00 C ATOM 264 OG SER A 22 1.195 -0.449 -9.352 1.00 0.00 O ATOM 0 H SER A 22 -0.256 -3.164 -11.632 1.00 0.00 H new ATOM 0 HA SER A 22 0.453 -2.790 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.017 -1.454 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.388 -0.520 -10.671 1.00 0.00 H new ATOM 0 HG SER A 22 1.577 0.343 -9.785 1.00 0.00 H new ATOM 270 N LEU A 23 -2.619 -2.220 -9.836 1.00 0.00 N ATOM 271 CA LEU A 23 -3.963 -1.933 -9.364 1.00 0.00 C ATOM 272 C LEU A 23 -4.597 -3.220 -8.831 1.00 0.00 C ATOM 273 O LEU A 23 -5.818 -3.370 -8.851 1.00 0.00 O ATOM 274 CB LEU A 23 -4.783 -1.254 -10.463 1.00 0.00 C ATOM 275 CG LEU A 23 -4.107 -0.081 -11.176 1.00 0.00 C ATOM 276 CD1 LEU A 23 -3.615 -0.493 -12.565 1.00 0.00 C ATOM 277 CD2 LEU A 23 -5.035 1.134 -11.234 1.00 0.00 C ATOM 0 H LEU A 23 -2.564 -2.526 -10.808 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.933 -1.225 -8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.046 -2.004 -11.209 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.716 -0.899 -10.026 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.230 0.211 -10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.139 0.359 -13.050 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.895 -1.306 -12.470 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.461 -0.827 -13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.530 1.953 -11.746 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.944 0.872 -11.776 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.293 1.443 -10.221 1.00 0.00 H new ATOM 289 N PHE A 24 -3.739 -4.116 -8.366 1.00 0.00 N ATOM 290 CA PHE A 24 -4.199 -5.385 -7.828 1.00 0.00 C ATOM 291 C PHE A 24 -3.963 -5.458 -6.318 1.00 0.00 C ATOM 292 O PHE A 24 -4.344 -6.434 -5.673 1.00 0.00 O ATOM 293 CB PHE A 24 -3.384 -6.483 -8.513 1.00 0.00 C ATOM 294 CG PHE A 24 -4.229 -7.637 -9.058 1.00 0.00 C ATOM 295 CD1 PHE A 24 -5.325 -7.376 -9.821 1.00 0.00 C ATOM 296 CD2 PHE A 24 -3.885 -8.922 -8.779 1.00 0.00 C ATOM 297 CE1 PHE A 24 -6.109 -8.447 -10.326 1.00 0.00 C ATOM 298 CE2 PHE A 24 -4.669 -9.993 -9.285 1.00 0.00 C ATOM 299 CZ PHE A 24 -5.765 -9.732 -10.048 1.00 0.00 C ATOM 0 H PHE A 24 -2.727 -3.988 -8.351 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.268 -5.500 -8.008 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.817 -6.042 -9.333 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.660 -6.881 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.599 -6.355 -10.042 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.016 -9.129 -8.173 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.979 -8.240 -10.931 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.395 -11.014 -9.064 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.362 -10.546 -10.433 1.00 0.00 H new ATOM 309 N THR A 25 -3.337 -4.413 -5.798 1.00 0.00 N ATOM 310 CA THR A 25 -3.046 -4.346 -4.376 1.00 0.00 C ATOM 311 C THR A 25 -3.804 -3.185 -3.730 1.00 0.00 C ATOM 312 O THR A 25 -4.128 -3.234 -2.544 1.00 0.00 O ATOM 313 CB THR A 25 -1.528 -4.249 -4.208 1.00 0.00 C ATOM 314 OG1 THR A 25 -1.130 -3.299 -5.192 1.00 0.00 O ATOM 315 CG2 THR A 25 -0.810 -5.536 -4.620 1.00 0.00 C ATOM 0 H THR A 25 -3.023 -3.605 -6.336 1.00 0.00 H new ATOM 0 HA THR A 25 -3.388 -5.243 -3.860 1.00 0.00 H new ATOM 0 HB THR A 25 -1.292 -4.018 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.159 -3.174 -5.152 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.264 -5.414 -4.481 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.164 -6.363 -4.004 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.019 -5.749 -5.668 1.00 0.00 H new ATOM 323 N GLU A 26 -4.065 -2.169 -4.538 1.00 0.00 N ATOM 324 CA GLU A 26 -4.780 -0.997 -4.060 1.00 0.00 C ATOM 325 C GLU A 26 -6.288 -1.192 -4.223 1.00 0.00 C ATOM 326 O GLU A 26 -7.057 -0.238 -4.112 1.00 0.00 O ATOM 327 CB GLU A 26 -4.308 0.266 -4.785 1.00 0.00 C ATOM 328 CG GLU A 26 -2.781 0.329 -4.839 1.00 0.00 C ATOM 329 CD GLU A 26 -2.293 1.779 -4.864 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.055 2.625 -5.379 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.169 2.009 -4.368 1.00 0.00 O ATOM 0 H GLU A 26 -3.795 -2.132 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.563 -0.870 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.712 0.281 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.694 1.148 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.361 -0.185 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.423 -0.194 -5.726 1.00 0.00 H new ATOM 338 N GLY A 27 -6.667 -2.434 -4.485 1.00 0.00 N ATOM 339 CA GLY A 27 -8.071 -2.766 -4.664 1.00 0.00 C ATOM 340 C GLY A 27 -8.542 -3.751 -3.592 1.00 0.00 C ATOM 341 O GLY A 27 -9.691 -3.696 -3.156 1.00 0.00 O ATOM 0 H GLY A 27 -6.027 -3.223 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.672 -1.858 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.223 -3.199 -5.653 1.00 0.00 H new ATOM 345 N ARG A 28 -7.631 -4.629 -3.199 1.00 0.00 N ATOM 346 CA ARG A 28 -7.940 -5.625 -2.187 1.00 0.00 C ATOM 347 C ARG A 28 -7.847 -5.008 -0.790 1.00 0.00 C ATOM 348 O ARG A 28 -8.824 -5.005 -0.043 1.00 0.00 O ATOM 349 CB ARG A 28 -6.983 -6.815 -2.276 1.00 0.00 C ATOM 350 CG ARG A 28 -7.664 -8.019 -2.931 1.00 0.00 C ATOM 351 CD ARG A 28 -6.668 -9.159 -3.152 1.00 0.00 C ATOM 352 NE ARG A 28 -7.361 -10.332 -3.729 1.00 0.00 N ATOM 353 CZ ARG A 28 -6.739 -11.444 -4.143 1.00 0.00 C ATOM 354 NH1 ARG A 28 -5.406 -11.542 -4.045 1.00 0.00 N ATOM 355 NH2 ARG A 28 -7.450 -12.459 -4.654 1.00 0.00 N ATOM 0 H ARG A 28 -6.679 -4.671 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.956 -5.976 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.101 -6.534 -2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.640 -7.086 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.484 -8.365 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.099 -7.721 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.871 -8.832 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.199 -9.432 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.376 -10.291 -3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.865 -10.770 -3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.932 -12.389 -4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.465 -12.385 -4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.976 -13.306 -4.969 1.00 0.00 H new ATOM 369 N TYR A 29 -6.663 -4.500 -0.479 1.00 0.00 N ATOM 370 CA TYR A 29 -6.430 -3.882 0.815 1.00 0.00 C ATOM 371 C TYR A 29 -6.470 -2.356 0.708 1.00 0.00 C ATOM 372 O TYR A 29 -5.672 -1.665 1.340 1.00 0.00 O ATOM 373 CB TYR A 29 -5.027 -4.315 1.243 1.00 0.00 C ATOM 374 CG TYR A 29 -4.622 -5.702 0.738 1.00 0.00 C ATOM 375 CD1 TYR A 29 -5.528 -6.742 0.779 1.00 0.00 C ATOM 376 CD2 TYR A 29 -3.352 -5.911 0.240 1.00 0.00 C ATOM 377 CE1 TYR A 29 -5.147 -8.047 0.304 1.00 0.00 C ATOM 378 CE2 TYR A 29 -2.972 -7.216 -0.235 1.00 0.00 C ATOM 379 CZ TYR A 29 -3.888 -8.220 -0.180 1.00 0.00 C ATOM 380 OH TYR A 29 -3.528 -9.452 -0.629 1.00 0.00 O ATOM 0 H TYR A 29 -5.855 -4.504 -1.101 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.196 -4.185 1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.306 -3.583 0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.971 -4.305 2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.522 -6.577 1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.644 -5.096 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.846 -8.870 0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.981 -7.394 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.601 -9.427 -0.946 1.00 0.00 H new ATOM 390 N GLN A 30 -7.407 -1.875 -0.096 1.00 0.00 N ATOM 391 CA GLN A 30 -7.561 -0.444 -0.293 1.00 0.00 C ATOM 392 C GLN A 30 -7.882 0.243 1.036 1.00 0.00 C ATOM 393 O GLN A 30 -7.298 1.276 1.362 1.00 0.00 O ATOM 394 CB GLN A 30 -8.639 -0.147 -1.338 1.00 0.00 C ATOM 395 CG GLN A 30 -9.982 -0.754 -0.927 1.00 0.00 C ATOM 396 CD GLN A 30 -10.823 -1.106 -2.156 1.00 0.00 C ATOM 397 OE1 GLN A 30 -10.905 -0.360 -3.118 1.00 0.00 O ATOM 398 NE2 GLN A 30 -11.443 -2.279 -2.070 1.00 0.00 N ATOM 0 H GLN A 30 -8.067 -2.451 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.618 -0.045 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.745 0.931 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.335 -0.549 -2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.813 -1.649 -0.329 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.527 -0.049 -0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.331 -2.855 -1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.030 -2.603 -2.839 1.00 0.00 H new ATOM 407 N GLN A 31 -8.809 -0.357 1.768 1.00 0.00 N ATOM 408 CA GLN A 31 -9.214 0.184 3.054 1.00 0.00 C ATOM 409 C GLN A 31 -8.085 0.029 4.075 1.00 0.00 C ATOM 410 O GLN A 31 -7.901 0.887 4.937 1.00 0.00 O ATOM 411 CB GLN A 31 -10.498 -0.484 3.550 1.00 0.00 C ATOM 412 CG GLN A 31 -11.730 0.132 2.884 1.00 0.00 C ATOM 413 CD GLN A 31 -12.900 0.217 3.867 1.00 0.00 C ATOM 414 OE1 GLN A 31 -12.887 -0.366 4.938 1.00 0.00 O ATOM 415 NE2 GLN A 31 -13.908 0.974 3.443 1.00 0.00 N ATOM 0 H GLN A 31 -9.291 -1.213 1.495 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.421 1.247 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.462 -1.552 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.573 -0.377 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.488 1.128 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.019 -0.467 2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.853 1.434 2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.736 1.094 4.027 1.00 0.00 H new ATOM 424 N GLU A 32 -7.359 -1.071 3.944 1.00 0.00 N ATOM 425 CA GLU A 32 -6.253 -1.350 4.844 1.00 0.00 C ATOM 426 C GLU A 32 -5.330 -0.134 4.942 1.00 0.00 C ATOM 427 O GLU A 32 -5.074 0.369 6.035 1.00 0.00 O ATOM 428 CB GLU A 32 -5.480 -2.591 4.395 1.00 0.00 C ATOM 429 CG GLU A 32 -6.139 -3.868 4.920 1.00 0.00 C ATOM 430 CD GLU A 32 -7.487 -4.109 4.239 1.00 0.00 C ATOM 431 OE1 GLU A 32 -8.399 -3.288 4.477 1.00 0.00 O ATOM 432 OE2 GLU A 32 -7.576 -5.110 3.495 1.00 0.00 O ATOM 0 H GLU A 32 -7.515 -1.780 3.228 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.659 -1.555 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.435 -2.622 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.453 -2.534 4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.481 -4.719 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.281 -3.792 5.998 1.00 0.00 H new ATOM 439 N LEU A 33 -4.855 0.303 3.786 1.00 0.00 N ATOM 440 CA LEU A 33 -3.965 1.451 3.728 1.00 0.00 C ATOM 441 C LEU A 33 -4.585 2.611 4.509 1.00 0.00 C ATOM 442 O LEU A 33 -3.879 3.350 5.194 1.00 0.00 O ATOM 443 CB LEU A 33 -3.630 1.797 2.275 1.00 0.00 C ATOM 444 CG LEU A 33 -3.125 0.640 1.410 1.00 0.00 C ATOM 445 CD1 LEU A 33 -3.758 0.680 0.018 1.00 0.00 C ATOM 446 CD2 LEU A 33 -1.596 0.633 1.345 1.00 0.00 C ATOM 0 H LEU A 33 -5.069 -0.117 2.881 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.012 1.219 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.522 2.213 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.874 2.582 2.274 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.432 -0.296 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.382 -0.153 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.841 0.602 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.502 1.620 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.262 -0.199 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.246 1.571 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.190 0.522 2.350 1.00 0.00 H new ATOM 458 N GLU A 34 -5.898 2.735 4.380 1.00 0.00 N ATOM 459 CA GLU A 34 -6.620 3.793 5.065 1.00 0.00 C ATOM 460 C GLU A 34 -6.637 3.534 6.573 1.00 0.00 C ATOM 461 O GLU A 34 -6.591 4.472 7.368 1.00 0.00 O ATOM 462 CB GLU A 34 -8.042 3.930 4.517 1.00 0.00 C ATOM 463 CG GLU A 34 -8.045 4.672 3.179 1.00 0.00 C ATOM 464 CD GLU A 34 -9.277 5.571 3.053 1.00 0.00 C ATOM 465 OE1 GLU A 34 -10.320 5.045 2.608 1.00 0.00 O ATOM 466 OE2 GLU A 34 -9.147 6.763 3.404 1.00 0.00 O ATOM 0 H GLU A 34 -6.480 2.120 3.811 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.103 4.735 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.483 2.941 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.662 4.466 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.141 5.274 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.030 3.953 2.360 1.00 0.00 H new ATOM 473 N GLU A 35 -6.702 2.258 6.921 1.00 0.00 N ATOM 474 CA GLU A 35 -6.725 1.864 8.320 1.00 0.00 C ATOM 475 C GLU A 35 -5.418 2.266 9.006 1.00 0.00 C ATOM 476 O GLU A 35 -5.429 3.026 9.973 1.00 0.00 O ATOM 477 CB GLU A 35 -6.979 0.362 8.462 1.00 0.00 C ATOM 478 CG GLU A 35 -8.457 0.079 8.740 1.00 0.00 C ATOM 479 CD GLU A 35 -9.269 0.088 7.443 1.00 0.00 C ATOM 480 OE1 GLU A 35 -8.959 -0.754 6.573 1.00 0.00 O ATOM 481 OE2 GLU A 35 -10.183 0.937 7.352 1.00 0.00 O ATOM 0 H GLU A 35 -6.739 1.483 6.259 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.546 2.386 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.672 -0.150 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.370 -0.038 9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.560 -0.889 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.852 0.828 9.426 1.00 0.00 H new ATOM 488 N LEU A 36 -4.323 1.739 8.478 1.00 0.00 N ATOM 489 CA LEU A 36 -3.010 2.034 9.028 1.00 0.00 C ATOM 490 C LEU A 36 -2.855 3.548 9.182 1.00 0.00 C ATOM 491 O LEU A 36 -2.202 4.018 10.112 1.00 0.00 O ATOM 492 CB LEU A 36 -1.916 1.387 8.177 1.00 0.00 C ATOM 493 CG LEU A 36 -2.085 -0.106 7.889 1.00 0.00 C ATOM 494 CD1 LEU A 36 -1.735 -0.427 6.434 1.00 0.00 C ATOM 495 CD2 LEU A 36 -1.273 -0.951 8.873 1.00 0.00 C ATOM 0 H LEU A 36 -4.318 1.110 7.675 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.907 1.600 10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.863 1.916 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.959 1.534 8.678 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.134 -0.364 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.864 -1.495 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.392 0.134 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.699 -0.149 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.411 -2.008 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.217 -0.696 8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.612 -0.751 9.890 1.00 0.00 H new ATOM 507 N LYS A 37 -3.466 4.271 8.254 1.00 0.00 N ATOM 508 CA LYS A 37 -3.404 5.722 8.275 1.00 0.00 C ATOM 509 C LYS A 37 -4.016 6.236 9.580 1.00 0.00 C ATOM 510 O LYS A 37 -3.846 7.402 9.932 1.00 0.00 O ATOM 511 CB LYS A 37 -4.056 6.304 7.019 1.00 0.00 C ATOM 512 CG LYS A 37 -3.971 7.832 7.015 1.00 0.00 C ATOM 513 CD LYS A 37 -4.065 8.383 5.591 1.00 0.00 C ATOM 514 CE LYS A 37 -2.732 8.232 4.856 1.00 0.00 C ATOM 515 NZ LYS A 37 -2.639 9.205 3.745 1.00 0.00 N ATOM 0 H LYS A 37 -4.006 3.878 7.483 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.368 6.059 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.563 5.906 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.100 5.994 6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.776 8.246 7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.033 8.149 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.847 7.857 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.350 9.435 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.907 8.386 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.637 7.218 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.728 9.089 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.415 9.040 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.708 10.171 4.123 1.00 0.00 H new ATOM 529 N ALA A 38 -4.715 5.340 10.261 1.00 0.00 N ATOM 530 CA ALA A 38 -5.353 5.689 11.519 1.00 0.00 C ATOM 531 C ALA A 38 -4.701 4.895 12.653 1.00 0.00 C ATOM 532 O ALA A 38 -4.533 5.409 13.758 1.00 0.00 O ATOM 533 CB ALA A 38 -6.858 5.430 11.417 1.00 0.00 C ATOM 0 H ALA A 38 -4.854 4.374 9.966 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.218 6.748 11.737 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.337 5.692 12.361 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.278 6.038 10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.032 4.376 11.202 1.00 0.00 H new ATOM 539 N LEU A 39 -4.351 3.656 12.341 1.00 0.00 N ATOM 540 CA LEU A 39 -3.721 2.787 13.320 1.00 0.00 C ATOM 541 C LEU A 39 -2.445 3.452 13.840 1.00 0.00 C ATOM 542 O LEU A 39 -2.164 3.414 15.036 1.00 0.00 O ATOM 543 CB LEU A 39 -3.493 1.393 12.731 1.00 0.00 C ATOM 544 CG LEU A 39 -4.713 0.727 12.093 1.00 0.00 C ATOM 545 CD1 LEU A 39 -4.312 -0.540 11.335 1.00 0.00 C ATOM 546 CD2 LEU A 39 -5.796 0.450 13.138 1.00 0.00 C ATOM 0 H LEU A 39 -4.492 3.233 11.424 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.377 2.641 14.178 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.707 1.462 11.979 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.121 0.742 13.522 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.137 1.418 11.365 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.198 -0.994 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.602 -0.284 10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.850 -1.246 12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.652 -0.024 12.658 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.399 -0.213 13.907 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.110 1.389 13.595 1.00 0.00 H new ATOM 558 N GLY A 40 -1.707 4.046 12.914 1.00 0.00 N ATOM 559 CA GLY A 40 -0.467 4.719 13.263 1.00 0.00 C ATOM 560 C GLY A 40 0.510 4.713 12.086 1.00 0.00 C ATOM 561 O GLY A 40 1.708 4.505 12.270 1.00 0.00 O ATOM 0 H GLY A 40 -1.944 4.075 11.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.678 5.746 13.560 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.011 4.226 14.122 1.00 0.00 H new ATOM 565 N PHE A 41 -0.038 4.945 10.902 1.00 0.00 N ATOM 566 CA PHE A 41 0.770 4.970 9.695 1.00 0.00 C ATOM 567 C PHE A 41 0.233 5.997 8.696 1.00 0.00 C ATOM 568 O PHE A 41 -0.531 6.887 9.066 1.00 0.00 O ATOM 569 CB PHE A 41 0.685 3.576 9.071 1.00 0.00 C ATOM 570 CG PHE A 41 0.986 2.437 10.047 1.00 0.00 C ATOM 571 CD1 PHE A 41 -0.016 1.898 10.793 1.00 0.00 C ATOM 572 CD2 PHE A 41 2.255 1.964 10.170 1.00 0.00 C ATOM 573 CE1 PHE A 41 0.264 0.841 11.699 1.00 0.00 C ATOM 574 CE2 PHE A 41 2.535 0.907 11.076 1.00 0.00 C ATOM 575 CZ PHE A 41 1.534 0.368 11.822 1.00 0.00 C ATOM 0 H PHE A 41 -1.032 5.117 10.753 1.00 0.00 H new ATOM 0 HA PHE A 41 1.796 5.244 9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.314 3.434 8.660 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.384 3.520 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.024 2.274 10.696 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.050 2.393 9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.531 0.412 12.291 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.543 0.531 11.173 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.747 -0.435 12.512 1.00 0.00 H new ATOM 585 N ALA A 42 0.653 5.839 7.450 1.00 0.00 N ATOM 586 CA ALA A 42 0.224 6.741 6.395 1.00 0.00 C ATOM 587 C ALA A 42 0.838 6.295 5.066 1.00 0.00 C ATOM 588 O ALA A 42 0.160 6.276 4.040 1.00 0.00 O ATOM 589 CB ALA A 42 0.608 8.176 6.762 1.00 0.00 C ATOM 0 H ALA A 42 1.286 5.099 7.147 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.860 6.712 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.286 8.853 5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.122 8.455 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.689 8.244 6.880 1.00 0.00 H new ATOM 595 N ASN A 43 2.115 5.946 5.129 1.00 0.00 N ATOM 596 CA ASN A 43 2.828 5.501 3.944 1.00 0.00 C ATOM 597 C ASN A 43 2.085 4.317 3.321 1.00 0.00 C ATOM 598 O ASN A 43 2.365 3.164 3.645 1.00 0.00 O ATOM 599 CB ASN A 43 4.244 5.040 4.294 1.00 0.00 C ATOM 600 CG ASN A 43 5.231 5.409 3.184 1.00 0.00 C ATOM 601 OD1 ASN A 43 4.868 5.931 2.143 1.00 0.00 O ATOM 602 ND2 ASN A 43 6.496 5.108 3.464 1.00 0.00 N ATOM 0 H ASN A 43 2.674 5.963 5.982 1.00 0.00 H new ATOM 0 HA ASN A 43 2.883 6.339 3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.558 5.498 5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.251 3.961 4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.231 5.314 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.731 4.671 4.355 1.00 0.00 H new ATOM 609 N ARG A 44 1.152 4.643 2.438 1.00 0.00 N ATOM 610 CA ARG A 44 0.367 3.621 1.768 1.00 0.00 C ATOM 611 C ARG A 44 1.288 2.589 1.113 1.00 0.00 C ATOM 612 O ARG A 44 1.287 1.420 1.497 1.00 0.00 O ATOM 613 CB ARG A 44 -0.539 4.236 0.699 1.00 0.00 C ATOM 614 CG ARG A 44 -1.247 3.148 -0.111 1.00 0.00 C ATOM 615 CD ARG A 44 -1.685 3.679 -1.478 1.00 0.00 C ATOM 616 NE ARG A 44 -0.497 4.024 -2.291 1.00 0.00 N ATOM 617 CZ ARG A 44 -0.551 4.679 -3.459 1.00 0.00 C ATOM 618 NH1 ARG A 44 -1.734 5.065 -3.957 1.00 0.00 N ATOM 619 NH2 ARG A 44 0.578 4.949 -4.128 1.00 0.00 N ATOM 0 H ARG A 44 0.922 5.600 2.171 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.254 3.134 2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.279 4.882 1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.053 4.864 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.580 2.297 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.117 2.788 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.284 2.928 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.317 4.558 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 44 0.420 3.746 -1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.593 4.860 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.775 5.564 -4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.478 4.656 -3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.537 5.447 -5.017 1.00 0.00 H new ATOM 633 N ASP A 45 2.050 3.058 0.137 1.00 0.00 N ATOM 634 CA ASP A 45 2.974 2.190 -0.574 1.00 0.00 C ATOM 635 C ASP A 45 3.647 1.243 0.422 1.00 0.00 C ATOM 636 O ASP A 45 3.685 0.033 0.205 1.00 0.00 O ATOM 637 CB ASP A 45 4.069 3.002 -1.269 1.00 0.00 C ATOM 638 CG ASP A 45 3.890 3.168 -2.779 1.00 0.00 C ATOM 639 OD1 ASP A 45 3.232 2.287 -3.374 1.00 0.00 O ATOM 640 OD2 ASP A 45 4.416 4.172 -3.306 1.00 0.00 O ATOM 0 H ASP A 45 2.047 4.028 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 45 2.407 1.635 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.112 3.991 -0.812 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.030 2.522 -1.083 1.00 0.00 H new ATOM 645 N ALA A 46 4.161 1.830 1.493 1.00 0.00 N ATOM 646 CA ALA A 46 4.831 1.055 2.523 1.00 0.00 C ATOM 647 C ALA A 46 3.818 0.124 3.193 1.00 0.00 C ATOM 648 O ALA A 46 4.110 -1.046 3.436 1.00 0.00 O ATOM 649 CB ALA A 46 5.502 2.001 3.520 1.00 0.00 C ATOM 0 H ALA A 46 4.127 2.834 1.670 1.00 0.00 H new ATOM 0 HA ALA A 46 5.614 0.433 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.004 1.419 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.233 2.620 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.748 2.640 3.980 1.00 0.00 H new ATOM 655 N ASN A 47 2.648 0.679 3.475 1.00 0.00 N ATOM 656 CA ASN A 47 1.591 -0.087 4.112 1.00 0.00 C ATOM 657 C ASN A 47 1.246 -1.296 3.241 1.00 0.00 C ATOM 658 O ASN A 47 1.010 -2.389 3.754 1.00 0.00 O ATOM 659 CB ASN A 47 0.324 0.755 4.277 1.00 0.00 C ATOM 660 CG ASN A 47 0.466 1.740 5.438 1.00 0.00 C ATOM 661 OD1 ASN A 47 1.399 1.684 6.223 1.00 0.00 O ATOM 662 ND2 ASN A 47 -0.508 2.643 5.505 1.00 0.00 N ATOM 0 H ASN A 47 2.409 1.650 3.274 1.00 0.00 H new ATOM 0 HA ASN A 47 1.946 -0.400 5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.124 1.301 3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.531 0.102 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.503 3.344 6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.260 2.634 4.816 1.00 0.00 H new ATOM 669 N LEU A 48 1.227 -1.060 1.937 1.00 0.00 N ATOM 670 CA LEU A 48 0.914 -2.116 0.990 1.00 0.00 C ATOM 671 C LEU A 48 2.062 -3.127 0.963 1.00 0.00 C ATOM 672 O LEU A 48 1.877 -4.291 1.314 1.00 0.00 O ATOM 673 CB LEU A 48 0.583 -1.525 -0.382 1.00 0.00 C ATOM 674 CG LEU A 48 -0.585 -2.173 -1.128 1.00 0.00 C ATOM 675 CD1 LEU A 48 -1.754 -2.450 -0.180 1.00 0.00 C ATOM 676 CD2 LEU A 48 -1.009 -1.323 -2.327 1.00 0.00 C ATOM 0 H LEU A 48 1.423 -0.153 1.514 1.00 0.00 H new ATOM 0 HA LEU A 48 0.020 -2.656 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.364 -0.465 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.472 -1.594 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.251 -3.135 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.571 -2.911 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.428 -3.124 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.096 -1.513 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.841 -1.806 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.319 -0.337 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.170 -1.220 -3.015 1.00 0.00 H new ATOM 688 N GLN A 49 3.223 -2.645 0.543 1.00 0.00 N ATOM 689 CA GLN A 49 4.401 -3.492 0.466 1.00 0.00 C ATOM 690 C GLN A 49 4.438 -4.459 1.651 1.00 0.00 C ATOM 691 O GLN A 49 4.872 -5.601 1.512 1.00 0.00 O ATOM 692 CB GLN A 49 5.678 -2.652 0.404 1.00 0.00 C ATOM 693 CG GLN A 49 6.670 -3.081 1.487 1.00 0.00 C ATOM 694 CD GLN A 49 8.050 -2.469 1.239 1.00 0.00 C ATOM 695 OE1 GLN A 49 8.752 -2.816 0.303 1.00 0.00 O ATOM 696 NE2 GLN A 49 8.400 -1.544 2.128 1.00 0.00 N ATOM 0 H GLN A 49 3.373 -1.679 0.253 1.00 0.00 H new ATOM 0 HA GLN A 49 4.345 -4.076 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.139 -2.757 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.431 -1.598 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.302 -2.772 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.748 -4.168 1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.765 -1.301 2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.304 -1.078 2.050 1.00 0.00 H new ATOM 705 N ALA A 50 3.976 -3.966 2.791 1.00 0.00 N ATOM 706 CA ALA A 50 3.951 -4.772 4.000 1.00 0.00 C ATOM 707 C ALA A 50 2.726 -5.688 3.972 1.00 0.00 C ATOM 708 O ALA A 50 2.837 -6.888 4.218 1.00 0.00 O ATOM 709 CB ALA A 50 3.967 -3.856 5.225 1.00 0.00 C ATOM 0 H ALA A 50 3.616 -3.018 2.903 1.00 0.00 H new ATOM 0 HA ALA A 50 4.835 -5.407 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.948 -4.461 6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.872 -3.248 5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.093 -3.206 5.204 1.00 0.00 H new ATOM 715 N LEU A 51 1.584 -5.086 3.670 1.00 0.00 N ATOM 716 CA LEU A 51 0.339 -5.833 3.606 1.00 0.00 C ATOM 717 C LEU A 51 0.503 -7.008 2.640 1.00 0.00 C ATOM 718 O LEU A 51 0.297 -8.160 3.019 1.00 0.00 O ATOM 719 CB LEU A 51 -0.824 -4.904 3.254 1.00 0.00 C ATOM 720 CG LEU A 51 -1.380 -4.059 4.402 1.00 0.00 C ATOM 721 CD1 LEU A 51 -1.571 -2.604 3.969 1.00 0.00 C ATOM 722 CD2 LEU A 51 -2.670 -4.667 4.955 1.00 0.00 C ATOM 0 H LEU A 51 1.495 -4.090 3.467 1.00 0.00 H new ATOM 0 HA LEU A 51 0.096 -6.255 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.499 -4.232 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.635 -5.508 2.848 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.651 -4.060 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.967 -2.025 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.612 -2.187 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.270 -2.562 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.044 -4.047 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.418 -4.716 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.469 -5.672 5.327 1.00 0.00 H new ATOM 734 N VAL A 52 0.871 -6.676 1.412 1.00 0.00 N ATOM 735 CA VAL A 52 1.065 -7.689 0.389 1.00 0.00 C ATOM 736 C VAL A 52 2.054 -8.740 0.898 1.00 0.00 C ATOM 737 O VAL A 52 1.981 -9.905 0.512 1.00 0.00 O ATOM 738 CB VAL A 52 1.510 -7.034 -0.920 1.00 0.00 C ATOM 739 CG1 VAL A 52 0.436 -6.082 -1.450 1.00 0.00 C ATOM 740 CG2 VAL A 52 2.846 -6.309 -0.743 1.00 0.00 C ATOM 0 H VAL A 52 1.040 -5.719 1.102 1.00 0.00 H new ATOM 0 HA VAL A 52 0.126 -8.201 0.177 1.00 0.00 H new ATOM 0 HB VAL A 52 1.652 -7.823 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.778 -5.630 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.484 -6.637 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.248 -5.300 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.140 -5.852 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.742 -5.535 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.609 -7.023 -0.432 1.00 0.00 H new ATOM 750 N ALA A 53 2.956 -8.289 1.758 1.00 0.00 N ATOM 751 CA ALA A 53 3.959 -9.175 2.324 1.00 0.00 C ATOM 752 C ALA A 53 3.285 -10.144 3.298 1.00 0.00 C ATOM 753 O ALA A 53 3.693 -11.299 3.412 1.00 0.00 O ATOM 754 CB ALA A 53 5.055 -8.344 2.993 1.00 0.00 C ATOM 0 H ALA A 53 3.013 -7.322 2.076 1.00 0.00 H new ATOM 0 HA ALA A 53 4.432 -9.769 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.807 -9.009 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.521 -7.694 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.618 -7.737 3.786 1.00 0.00 H new ATOM 760 N THR A 54 2.265 -9.638 3.975 1.00 0.00 N ATOM 761 CA THR A 54 1.531 -10.444 4.936 1.00 0.00 C ATOM 762 C THR A 54 0.329 -11.112 4.264 1.00 0.00 C ATOM 763 O THR A 54 -0.482 -11.753 4.930 1.00 0.00 O ATOM 764 CB THR A 54 1.147 -9.545 6.113 1.00 0.00 C ATOM 765 OG1 THR A 54 0.043 -8.787 5.625 1.00 0.00 O ATOM 766 CG2 THR A 54 2.215 -8.493 6.418 1.00 0.00 C ATOM 0 H THR A 54 1.929 -8.680 3.877 1.00 0.00 H new ATOM 0 HA THR A 54 2.145 -11.259 5.319 1.00 0.00 H new ATOM 0 HB THR A 54 0.978 -10.158 6.998 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.195 -8.555 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.893 -7.882 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.153 -8.989 6.666 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.360 -7.858 5.544 1.00 0.00 H new ATOM 774 N ASP A 55 0.253 -10.938 2.953 1.00 0.00 N ATOM 775 CA ASP A 55 -0.835 -11.516 2.183 1.00 0.00 C ATOM 776 C ASP A 55 -2.092 -10.663 2.367 1.00 0.00 C ATOM 777 O ASP A 55 -3.209 -11.159 2.227 1.00 0.00 O ATOM 778 CB ASP A 55 -1.153 -12.935 2.659 1.00 0.00 C ATOM 779 CG ASP A 55 -1.448 -13.940 1.543 1.00 0.00 C ATOM 780 OD1 ASP A 55 -0.821 -13.797 0.471 1.00 0.00 O ATOM 781 OD2 ASP A 55 -2.293 -14.828 1.787 1.00 0.00 O ATOM 0 H ASP A 55 0.927 -10.405 2.404 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.530 -11.546 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.311 -13.303 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.013 -12.894 3.327 1.00 0.00 H new ATOM 786 N GLY A 56 -1.868 -9.395 2.677 1.00 0.00 N ATOM 787 CA GLY A 56 -2.969 -8.468 2.881 1.00 0.00 C ATOM 788 C GLY A 56 -3.511 -8.567 4.308 1.00 0.00 C ATOM 789 O GLY A 56 -4.705 -8.377 4.537 1.00 0.00 O ATOM 0 H GLY A 56 -0.940 -8.987 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.633 -7.450 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.766 -8.682 2.169 1.00 0.00 H new ATOM 793 N ASP A 57 -2.608 -8.863 5.231 1.00 0.00 N ATOM 794 CA ASP A 57 -2.980 -8.988 6.630 1.00 0.00 C ATOM 795 C ASP A 57 -2.477 -7.765 7.399 1.00 0.00 C ATOM 796 O ASP A 57 -1.413 -7.808 8.014 1.00 0.00 O ATOM 797 CB ASP A 57 -2.350 -10.233 7.258 1.00 0.00 C ATOM 798 CG ASP A 57 -3.314 -11.400 7.487 1.00 0.00 C ATOM 799 OD1 ASP A 57 -4.036 -11.737 6.524 1.00 0.00 O ATOM 800 OD2 ASP A 57 -3.306 -11.927 8.620 1.00 0.00 O ATOM 0 H ASP A 57 -1.619 -9.020 5.037 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.066 -9.066 6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.537 -10.573 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.907 -9.955 8.214 1.00 0.00 H new ATOM 805 N ILE A 58 -3.267 -6.703 7.340 1.00 0.00 N ATOM 806 CA ILE A 58 -2.915 -5.470 8.023 1.00 0.00 C ATOM 807 C ILE A 58 -2.324 -5.803 9.395 1.00 0.00 C ATOM 808 O ILE A 58 -1.384 -5.149 9.844 1.00 0.00 O ATOM 809 CB ILE A 58 -4.121 -4.529 8.085 1.00 0.00 C ATOM 810 CG1 ILE A 58 -3.672 -3.068 8.161 1.00 0.00 C ATOM 811 CG2 ILE A 58 -5.050 -4.905 9.241 1.00 0.00 C ATOM 812 CD1 ILE A 58 -4.761 -2.133 7.632 1.00 0.00 C ATOM 0 H ILE A 58 -4.150 -6.671 6.830 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.148 -4.932 7.467 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.692 -4.643 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.435 -2.810 9.193 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.759 -2.934 7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.899 -4.221 9.263 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.409 -5.925 9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.505 -4.837 10.183 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.417 -1.101 7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.978 -2.379 6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.665 -2.253 8.229 1.00 0.00 H new ATOM 824 N HIS A 59 -2.899 -6.818 10.021 1.00 0.00 N ATOM 825 CA HIS A 59 -2.440 -7.246 11.332 1.00 0.00 C ATOM 826 C HIS A 59 -0.935 -7.513 11.287 1.00 0.00 C ATOM 827 O HIS A 59 -0.169 -6.900 12.029 1.00 0.00 O ATOM 828 CB HIS A 59 -3.242 -8.453 11.821 1.00 0.00 C ATOM 829 CG HIS A 59 -4.693 -8.150 12.111 1.00 0.00 C ATOM 830 ND1 HIS A 59 -5.119 -7.597 13.306 1.00 0.00 N ATOM 831 CD2 HIS A 59 -5.810 -8.329 11.349 1.00 0.00 C ATOM 832 CE1 HIS A 59 -6.436 -7.454 13.254 1.00 0.00 C ATOM 833 NE2 HIS A 59 -6.862 -7.908 12.041 1.00 0.00 N ATOM 0 H HIS A 59 -3.679 -7.357 9.645 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.611 -6.451 12.058 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.189 -9.240 11.069 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.775 -8.844 12.725 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.835 -8.743 10.352 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.062 -7.049 14.035 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.830 -7.922 11.718 1.00 0.00 H new ATOM 841 N ALA A 60 -0.555 -8.429 10.408 1.00 0.00 N ATOM 842 CA ALA A 60 0.846 -8.785 10.256 1.00 0.00 C ATOM 843 C ALA A 60 1.591 -7.630 9.586 1.00 0.00 C ATOM 844 O ALA A 60 2.821 -7.606 9.570 1.00 0.00 O ATOM 845 CB ALA A 60 0.958 -10.090 9.464 1.00 0.00 C ATOM 0 H ALA A 60 -1.193 -8.935 9.794 1.00 0.00 H new ATOM 0 HA ALA A 60 1.307 -8.954 11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.009 -10.357 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.437 -10.885 9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.508 -9.958 8.480 1.00 0.00 H new ATOM 851 N ALA A 61 0.816 -6.700 9.048 1.00 0.00 N ATOM 852 CA ALA A 61 1.388 -5.545 8.377 1.00 0.00 C ATOM 853 C ALA A 61 1.819 -4.515 9.424 1.00 0.00 C ATOM 854 O ALA A 61 2.898 -3.933 9.319 1.00 0.00 O ATOM 855 CB ALA A 61 0.372 -4.976 7.384 1.00 0.00 C ATOM 0 H ALA A 61 -0.204 -6.723 9.063 1.00 0.00 H new ATOM 0 HA ALA A 61 2.274 -5.830 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.801 -4.110 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.120 -5.737 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.530 -4.676 7.918 1.00 0.00 H new ATOM 861 N ILE A 62 0.954 -4.321 10.408 1.00 0.00 N ATOM 862 CA ILE A 62 1.232 -3.372 11.473 1.00 0.00 C ATOM 863 C ILE A 62 2.625 -3.646 12.044 1.00 0.00 C ATOM 864 O ILE A 62 3.507 -2.791 11.976 1.00 0.00 O ATOM 865 CB ILE A 62 0.120 -3.404 12.523 1.00 0.00 C ATOM 866 CG1 ILE A 62 -1.123 -2.661 12.028 1.00 0.00 C ATOM 867 CG2 ILE A 62 0.617 -2.860 13.864 1.00 0.00 C ATOM 868 CD1 ILE A 62 -2.274 -2.791 13.028 1.00 0.00 C ATOM 0 H ILE A 62 0.060 -4.805 10.491 1.00 0.00 H new ATOM 0 HA ILE A 62 1.241 -2.354 11.083 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.169 -4.443 12.684 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.885 -1.608 11.876 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.429 -3.061 11.061 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.193 -2.894 14.593 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.449 -3.469 14.218 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.949 -1.829 13.738 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.145 -2.254 12.652 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.525 -3.844 13.159 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.973 -2.368 13.986 1.00 0.00 H new ATOM 880 N GLU A 63 2.780 -4.842 12.592 1.00 0.00 N ATOM 881 CA GLU A 63 4.051 -5.239 13.174 1.00 0.00 C ATOM 882 C GLU A 63 5.199 -4.905 12.220 1.00 0.00 C ATOM 883 O GLU A 63 6.197 -4.313 12.628 1.00 0.00 O ATOM 884 CB GLU A 63 4.049 -6.727 13.531 1.00 0.00 C ATOM 885 CG GLU A 63 3.609 -7.576 12.337 1.00 0.00 C ATOM 886 CD GLU A 63 4.817 -8.184 11.621 1.00 0.00 C ATOM 887 OE1 GLU A 63 5.939 -7.706 11.897 1.00 0.00 O ATOM 888 OE2 GLU A 63 4.592 -9.111 10.814 1.00 0.00 O ATOM 0 H GLU A 63 2.047 -5.549 12.645 1.00 0.00 H new ATOM 0 HA GLU A 63 4.197 -4.678 14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.047 -7.030 13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.379 -6.902 14.373 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.945 -8.371 12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.040 -6.962 11.639 1.00 0.00 H new ATOM 895 N MET A 64 5.019 -5.299 10.968 1.00 0.00 N ATOM 896 CA MET A 64 6.028 -5.049 9.953 1.00 0.00 C ATOM 897 C MET A 64 6.218 -3.548 9.726 1.00 0.00 C ATOM 898 O MET A 64 7.313 -3.101 9.391 1.00 0.00 O ATOM 899 CB MET A 64 5.608 -5.715 8.641 1.00 0.00 C ATOM 900 CG MET A 64 6.016 -7.189 8.619 1.00 0.00 C ATOM 901 SD MET A 64 7.457 -7.409 7.589 1.00 0.00 S ATOM 902 CE MET A 64 6.743 -7.091 5.984 1.00 0.00 C ATOM 0 H MET A 64 4.190 -5.789 10.633 1.00 0.00 H new ATOM 0 HA MET A 64 6.974 -5.467 10.297 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.528 -5.631 8.516 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.068 -5.194 7.801 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.227 -7.531 9.632 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.193 -7.797 8.242 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.290 -7.651 5.225 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.698 -7.402 5.982 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.804 -6.025 5.763 1.00 0.00 H new ATOM 912 N LEU A 65 5.133 -2.811 9.919 1.00 0.00 N ATOM 913 CA LEU A 65 5.167 -1.370 9.740 1.00 0.00 C ATOM 914 C LEU A 65 5.594 -0.707 11.051 1.00 0.00 C ATOM 915 O LEU A 65 5.912 0.481 11.075 1.00 0.00 O ATOM 916 CB LEU A 65 3.825 -0.865 9.204 1.00 0.00 C ATOM 917 CG LEU A 65 3.395 -1.419 7.844 1.00 0.00 C ATOM 918 CD1 LEU A 65 1.892 -1.233 7.627 1.00 0.00 C ATOM 919 CD2 LEU A 65 4.218 -0.797 6.714 1.00 0.00 C ATOM 0 H LEU A 65 4.226 -3.185 10.197 1.00 0.00 H new ATOM 0 HA LEU A 65 5.908 -1.097 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.051 -1.105 9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.870 0.222 9.134 1.00 0.00 H new ATOM 0 HG LEU A 65 3.592 -2.491 7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.612 -1.635 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.344 -1.760 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.648 -0.171 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.893 -1.208 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.075 0.284 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.273 -1.023 6.866 1.00 0.00 H new ATOM 931 N LEU A 66 5.587 -1.504 12.109 1.00 0.00 N ATOM 932 CA LEU A 66 5.970 -1.009 13.421 1.00 0.00 C ATOM 933 C LEU A 66 7.496 -0.992 13.529 1.00 0.00 C ATOM 934 O LEU A 66 8.051 -0.346 14.416 1.00 0.00 O ATOM 935 CB LEU A 66 5.285 -1.823 14.521 1.00 0.00 C ATOM 936 CG LEU A 66 3.810 -1.502 14.772 1.00 0.00 C ATOM 937 CD1 LEU A 66 3.213 -2.449 15.815 1.00 0.00 C ATOM 938 CD2 LEU A 66 3.626 -0.033 15.159 1.00 0.00 C ATOM 0 H LEU A 66 5.322 -2.489 12.085 1.00 0.00 H new ATOM 0 HA LEU A 66 5.629 0.017 13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.369 -2.880 14.269 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.833 -1.673 15.451 1.00 0.00 H new ATOM 0 HG LEU A 66 3.263 -1.660 13.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.164 -2.199 15.975 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.292 -3.477 15.461 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.758 -2.346 16.754 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.569 0.168 15.332 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.189 0.177 16.069 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.989 0.604 14.353 1.00 0.00 H new ATOM 950 N GLY A 67 8.130 -1.710 12.614 1.00 0.00 N ATOM 951 CA GLY A 67 9.581 -1.785 12.595 1.00 0.00 C ATOM 952 C GLY A 67 10.064 -3.173 13.020 1.00 0.00 C ATOM 953 O GLY A 67 11.112 -3.303 13.651 1.00 0.00 O ATOM 0 H GLY A 67 7.666 -2.245 11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.947 -1.560 11.593 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.996 -1.031 13.264 1.00 0.00 H new ATOM 957 N ALA A 68 9.277 -4.175 12.658 1.00 0.00 N ATOM 958 CA ALA A 68 9.611 -5.548 12.994 1.00 0.00 C ATOM 959 C ALA A 68 9.967 -6.309 11.716 1.00 0.00 C ATOM 960 O ALA A 68 9.283 -7.262 11.345 1.00 0.00 O ATOM 961 CB ALA A 68 8.442 -6.188 13.747 1.00 0.00 C ATOM 0 H ALA A 68 8.408 -4.063 12.135 1.00 0.00 H new ATOM 0 HA ALA A 68 10.480 -5.582 13.651 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.692 -7.218 13.999 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.248 -5.627 14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.552 -6.174 13.117 1.00 0.00 H new ATOM 967 N SER A 69 11.038 -5.861 11.078 1.00 0.00 N ATOM 968 CA SER A 69 11.494 -6.487 9.849 1.00 0.00 C ATOM 969 C SER A 69 13.007 -6.707 9.903 1.00 0.00 C ATOM 970 O SER A 69 13.700 -6.084 10.707 1.00 0.00 O ATOM 971 CB SER A 69 11.124 -5.641 8.629 1.00 0.00 C ATOM 972 OG SER A 69 11.313 -6.353 7.409 1.00 0.00 O ATOM 0 H SER A 69 11.604 -5.071 11.389 1.00 0.00 H new ATOM 0 HA SER A 69 10.996 -7.452 9.753 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.083 -5.327 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.731 -4.735 8.618 1.00 0.00 H new ATOM 0 HG SER A 69 11.064 -5.780 6.654 1.00 0.00 H new ATOM 978 N GLY A 70 13.476 -7.595 9.038 1.00 0.00 N ATOM 979 CA GLY A 70 14.894 -7.904 8.978 1.00 0.00 C ATOM 980 C GLY A 70 15.708 -6.672 8.576 1.00 0.00 C ATOM 981 O GLY A 70 15.172 -5.736 7.984 1.00 0.00 O ATOM 0 H GLY A 70 12.899 -8.110 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.232 -8.267 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 70 15.065 -8.707 8.261 1.00 0.00 H new ATOM 985 N PRO A 71 17.023 -6.714 8.921 1.00 0.00 N ATOM 986 CA PRO A 71 17.915 -5.613 8.602 1.00 0.00 C ATOM 987 C PRO A 71 18.271 -5.609 7.114 1.00 0.00 C ATOM 988 O PRO A 71 18.203 -6.644 6.453 1.00 0.00 O ATOM 989 CB PRO A 71 19.124 -5.813 9.501 1.00 0.00 C ATOM 990 CG PRO A 71 19.073 -7.265 9.950 1.00 0.00 C ATOM 991 CD PRO A 71 17.692 -7.806 9.622 1.00 0.00 C ATOM 0 HA PRO A 71 17.460 -4.638 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.049 -5.602 8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.091 -5.138 10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.842 -7.848 9.443 1.00 0.00 H new ATOM 0 HG3 PRO A 71 19.269 -7.341 11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.754 -8.698 8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 71 17.151 -8.086 10.526 1.00 0.00 H new ATOM 999 N SER A 72 18.642 -4.432 6.630 1.00 0.00 N ATOM 1000 CA SER A 72 19.008 -4.280 5.232 1.00 0.00 C ATOM 1001 C SER A 72 19.943 -3.081 5.064 1.00 0.00 C ATOM 1002 O SER A 72 19.662 -1.995 5.569 1.00 0.00 O ATOM 1003 CB SER A 72 17.767 -4.113 4.353 1.00 0.00 C ATOM 1004 OG SER A 72 17.764 -5.023 3.255 1.00 0.00 O ATOM 0 H SER A 72 18.697 -3.575 7.181 1.00 0.00 H new ATOM 0 HA SER A 72 19.526 -5.184 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.872 -4.269 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.724 -3.091 3.977 1.00 0.00 H new ATOM 0 HG SER A 72 16.955 -4.886 2.719 1.00 0.00 H new ATOM 1010 N SER A 73 21.035 -3.317 4.352 1.00 0.00 N ATOM 1011 CA SER A 73 22.013 -2.270 4.111 1.00 0.00 C ATOM 1012 C SER A 73 21.312 -1.004 3.613 1.00 0.00 C ATOM 1013 O SER A 73 20.467 -1.068 2.721 1.00 0.00 O ATOM 1014 CB SER A 73 23.068 -2.724 3.100 1.00 0.00 C ATOM 1015 OG SER A 73 24.208 -3.293 3.739 1.00 0.00 O ATOM 0 H SER A 73 21.264 -4.219 3.934 1.00 0.00 H new ATOM 0 HA SER A 73 22.519 -2.052 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.629 -3.456 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 73 23.379 -1.873 2.493 1.00 0.00 H new ATOM 0 HG SER A 73 24.858 -3.572 3.061 1.00 0.00 H new ATOM 1021 N GLY A 74 21.688 0.116 4.212 1.00 0.00 N ATOM 1022 CA GLY A 74 21.106 1.395 3.842 1.00 0.00 C ATOM 1023 C GLY A 74 19.599 1.266 3.613 1.00 0.00 C ATOM 1024 O GLY A 74 19.148 1.139 2.475 1.00 0.00 O ATOM 0 H GLY A 74 22.389 0.164 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.297 2.126 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.584 1.768 2.936 1.00 0.00 H new TER 1028 GLY A 74