USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc= 0.00193 K(o=-0.053,f=-1.2) USER MOD Set 1.2: A 79 TYR OH : rot 60:sc= -0.0547 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -115:sc= -0.148 (180deg=-0.734) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.669 X(o=-0.67,f=-0.61) USER MOD Single : A 19 GLN : amide:sc= -0.854 K(o=-0.85,f=-1.5!) USER MOD Single : A 23 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 168:sc= -2.73 (180deg=-4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 0.161 (180deg=0.0278) USER MOD Single : A 43 SER OG : rot 62:sc= 1 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.931 USER MOD Single : A 57 TYR OH : rot -52:sc= 1.15 USER MOD Single : A 59 SER OG : rot -42:sc= 0.428 USER MOD Single : A 60 SER OG : rot 180:sc= 0.054 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.96 K(o=-0.96,f=-5.1!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -52:sc= 0.305 USER MOD Single : A 83 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.12) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.079 -5.255 -20.007 1.00 0.00 N ATOM 2 CA GLY A 1 -2.673 -3.936 -19.895 1.00 0.00 C ATOM 3 C GLY A 1 -1.734 -2.837 -20.355 1.00 0.00 C ATOM 4 O GLY A 1 -0.802 -2.469 -19.641 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.759 -5.971 -19.681 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.830 -5.441 -21.000 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.221 -5.300 -19.421 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.587 -3.901 -20.488 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.958 -3.756 -18.859 1.00 0.00 H new ATOM 8 N SER A 2 -1.980 -2.314 -21.552 1.00 0.00 N ATOM 9 CA SER A 2 -1.147 -1.255 -22.108 1.00 0.00 C ATOM 10 C SER A 2 -2.005 -0.121 -22.660 1.00 0.00 C ATOM 11 O SER A 2 -2.687 -0.280 -23.673 1.00 0.00 O ATOM 12 CB SER A 2 -0.247 -1.812 -23.213 1.00 0.00 C ATOM 13 OG SER A 2 0.579 -2.853 -22.721 1.00 0.00 O ATOM 0 H SER A 2 -2.749 -2.606 -22.155 1.00 0.00 H new ATOM 0 HA SER A 2 -0.524 -0.859 -21.306 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.861 -2.187 -24.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.373 -1.013 -23.619 1.00 0.00 H new ATOM 0 HG SER A 2 1.143 -3.193 -23.446 1.00 0.00 H new ATOM 19 N SER A 3 -1.967 1.024 -21.986 1.00 0.00 N ATOM 20 CA SER A 3 -2.744 2.185 -22.405 1.00 0.00 C ATOM 21 C SER A 3 -1.843 3.400 -22.601 1.00 0.00 C ATOM 22 O SER A 3 -1.906 4.075 -23.627 1.00 0.00 O ATOM 23 CB SER A 3 -3.828 2.500 -21.372 1.00 0.00 C ATOM 24 OG SER A 3 -4.804 1.474 -21.327 1.00 0.00 O ATOM 0 H SER A 3 -1.406 1.173 -21.147 1.00 0.00 H new ATOM 0 HA SER A 3 -3.218 1.949 -23.358 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.374 2.617 -20.388 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.305 3.449 -21.618 1.00 0.00 H new ATOM 0 HG SER A 3 -5.484 1.699 -20.658 1.00 0.00 H new ATOM 30 N GLY A 4 -1.003 3.672 -21.606 1.00 0.00 N ATOM 31 CA GLY A 4 -0.101 4.806 -21.687 1.00 0.00 C ATOM 32 C GLY A 4 -0.737 6.090 -21.193 1.00 0.00 C ATOM 33 O GLY A 4 -1.394 6.798 -21.956 1.00 0.00 O ATOM 0 H GLY A 4 -0.931 3.128 -20.746 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.793 4.598 -21.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.220 4.938 -22.720 1.00 0.00 H new ATOM 37 N SER A 5 -0.543 6.390 -19.913 1.00 0.00 N ATOM 38 CA SER A 5 -1.107 7.595 -19.317 1.00 0.00 C ATOM 39 C SER A 5 -0.258 8.069 -18.141 1.00 0.00 C ATOM 40 O SER A 5 0.723 7.424 -17.770 1.00 0.00 O ATOM 41 CB SER A 5 -2.542 7.336 -18.852 1.00 0.00 C ATOM 42 OG SER A 5 -2.561 6.591 -17.647 1.00 0.00 O ATOM 0 H SER A 5 0.000 5.815 -19.269 1.00 0.00 H new ATOM 0 HA SER A 5 -1.113 8.377 -20.077 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.057 8.285 -18.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.086 6.795 -19.626 1.00 0.00 H new ATOM 0 HG SER A 5 -3.489 6.440 -17.370 1.00 0.00 H new ATOM 48 N SER A 6 -0.642 9.200 -17.559 1.00 0.00 N ATOM 49 CA SER A 6 0.085 9.763 -16.427 1.00 0.00 C ATOM 50 C SER A 6 0.112 8.784 -15.257 1.00 0.00 C ATOM 51 O SER A 6 1.143 8.598 -14.613 1.00 0.00 O ATOM 52 CB SER A 6 -0.554 11.082 -15.989 1.00 0.00 C ATOM 53 OG SER A 6 -1.871 10.876 -15.509 1.00 0.00 O ATOM 0 H SER A 6 -1.453 9.745 -17.853 1.00 0.00 H new ATOM 0 HA SER A 6 1.111 9.952 -16.743 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.053 11.542 -15.209 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.574 11.776 -16.829 1.00 0.00 H new ATOM 0 HG SER A 6 -2.257 11.734 -15.234 1.00 0.00 H new ATOM 59 N GLY A 7 -1.031 8.161 -14.988 1.00 0.00 N ATOM 60 CA GLY A 7 -1.118 7.209 -13.896 1.00 0.00 C ATOM 61 C GLY A 7 -0.637 5.827 -14.292 1.00 0.00 C ATOM 62 O GLY A 7 -1.024 5.305 -15.337 1.00 0.00 O ATOM 0 H GLY A 7 -1.898 8.298 -15.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.525 7.570 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.151 7.147 -13.554 1.00 0.00 H new ATOM 66 N GLN A 8 0.210 5.236 -13.457 1.00 0.00 N ATOM 67 CA GLN A 8 0.746 3.907 -13.727 1.00 0.00 C ATOM 68 C GLN A 8 0.677 3.028 -12.483 1.00 0.00 C ATOM 69 O GLN A 8 0.557 3.528 -11.363 1.00 0.00 O ATOM 70 CB GLN A 8 2.193 4.007 -14.216 1.00 0.00 C ATOM 71 CG GLN A 8 3.157 4.524 -13.160 1.00 0.00 C ATOM 72 CD GLN A 8 4.362 5.220 -13.761 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.185 4.595 -14.431 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.472 6.522 -13.525 1.00 0.00 N ATOM 0 H GLN A 8 0.540 5.656 -12.588 1.00 0.00 H new ATOM 0 HA GLN A 8 0.137 3.449 -14.506 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.524 3.023 -14.548 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.230 4.666 -15.084 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.632 5.217 -12.503 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.494 3.692 -12.542 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.767 7.000 -12.964 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.262 7.044 -13.904 1.00 0.00 H new ATOM 83 N LEU A 9 0.754 1.718 -12.685 1.00 0.00 N ATOM 84 CA LEU A 9 0.700 0.768 -11.578 1.00 0.00 C ATOM 85 C LEU A 9 2.088 0.538 -10.990 1.00 0.00 C ATOM 86 O LEU A 9 3.061 0.351 -11.722 1.00 0.00 O ATOM 87 CB LEU A 9 0.106 -0.560 -12.049 1.00 0.00 C ATOM 88 CG LEU A 9 -1.415 -0.685 -11.961 1.00 0.00 C ATOM 89 CD1 LEU A 9 -2.062 -0.268 -13.274 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.814 -2.107 -11.596 1.00 0.00 C ATOM 0 H LEU A 9 0.854 1.288 -13.605 1.00 0.00 H new ATOM 0 HA LEU A 9 0.062 1.189 -10.801 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.404 -0.721 -13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.551 -1.363 -11.461 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.770 -0.017 -11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.145 -0.364 -13.193 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.805 0.768 -13.493 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.701 -0.910 -14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.900 -2.177 -11.538 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.446 -2.795 -12.358 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.382 -2.370 -10.631 1.00 0.00 H new ATOM 102 N LEU A 10 2.173 0.551 -9.664 1.00 0.00 N ATOM 103 CA LEU A 10 3.442 0.341 -8.977 1.00 0.00 C ATOM 104 C LEU A 10 3.520 -1.067 -8.394 1.00 0.00 C ATOM 105 O LEU A 10 2.505 -1.646 -8.003 1.00 0.00 O ATOM 106 CB LEU A 10 3.619 1.376 -7.864 1.00 0.00 C ATOM 107 CG LEU A 10 2.954 2.733 -8.098 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.410 3.738 -7.052 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.260 3.242 -9.499 1.00 0.00 C ATOM 0 H LEU A 10 1.378 0.705 -9.044 1.00 0.00 H new ATOM 0 HA LEU A 10 4.245 0.458 -9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.226 0.956 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.686 1.538 -7.712 1.00 0.00 H new ATOM 0 HG LEU A 10 1.875 2.608 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.927 4.698 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.139 3.378 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.492 3.860 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.779 4.209 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.338 3.351 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.883 2.532 -10.235 1.00 0.00 H new ATOM 121 N THR A 11 4.731 -1.612 -8.337 1.00 0.00 N ATOM 122 CA THR A 11 4.941 -2.951 -7.801 1.00 0.00 C ATOM 123 C THR A 11 5.531 -2.895 -6.397 1.00 0.00 C ATOM 124 O THR A 11 6.731 -2.675 -6.225 1.00 0.00 O ATOM 125 CB THR A 11 5.875 -3.777 -8.706 1.00 0.00 C ATOM 126 OG1 THR A 11 5.366 -3.802 -10.044 1.00 0.00 O ATOM 127 CG2 THR A 11 6.014 -5.200 -8.184 1.00 0.00 C ATOM 0 H THR A 11 5.581 -1.147 -8.655 1.00 0.00 H new ATOM 0 HA THR A 11 3.964 -3.433 -7.762 1.00 0.00 H new ATOM 0 HB THR A 11 6.858 -3.307 -8.701 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.966 -4.328 -10.613 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.678 -5.765 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.430 -5.179 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.034 -5.677 -8.162 1.00 0.00 H new ATOM 135 N LEU A 12 4.683 -3.096 -5.395 1.00 0.00 N ATOM 136 CA LEU A 12 5.121 -3.069 -4.004 1.00 0.00 C ATOM 137 C LEU A 12 4.722 -4.352 -3.283 1.00 0.00 C ATOM 138 O LEU A 12 3.847 -5.088 -3.739 1.00 0.00 O ATOM 139 CB LEU A 12 4.523 -1.859 -3.284 1.00 0.00 C ATOM 140 CG LEU A 12 4.493 -0.552 -4.078 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.378 0.352 -3.576 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.837 0.156 -3.990 1.00 0.00 C ATOM 0 H LEU A 12 3.687 -3.280 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 12 6.208 -2.990 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.503 -2.105 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.088 -1.691 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 12 4.297 -0.789 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.372 1.277 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.419 -0.154 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.542 0.582 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.798 1.084 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.062 0.380 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.615 -0.488 -4.399 1.00 0.00 H new ATOM 154 N LYS A 13 5.368 -4.614 -2.151 1.00 0.00 N ATOM 155 CA LYS A 13 5.080 -5.806 -1.363 1.00 0.00 C ATOM 156 C LYS A 13 4.340 -5.444 -0.080 1.00 0.00 C ATOM 157 O LYS A 13 4.728 -4.516 0.631 1.00 0.00 O ATOM 158 CB LYS A 13 6.377 -6.545 -1.026 1.00 0.00 C ATOM 159 CG LYS A 13 7.060 -7.158 -2.236 1.00 0.00 C ATOM 160 CD LYS A 13 8.270 -7.985 -1.834 1.00 0.00 C ATOM 161 CE LYS A 13 8.648 -8.983 -2.918 1.00 0.00 C ATOM 162 NZ LYS A 13 7.604 -10.031 -3.095 1.00 0.00 N ATOM 0 H LYS A 13 6.095 -4.016 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 13 4.441 -6.459 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.066 -5.851 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.160 -7.332 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.351 -7.787 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.369 -6.367 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.114 -7.324 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.057 -8.517 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.798 -8.456 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.597 -9.455 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.993 -10.957 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.786 -9.812 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.303 -10.057 -4.090 1.00 0.00 H new ATOM 176 N ILE A 14 3.274 -6.183 0.212 1.00 0.00 N ATOM 177 CA ILE A 14 2.483 -5.940 1.411 1.00 0.00 C ATOM 178 C ILE A 14 2.937 -6.834 2.560 1.00 0.00 C ATOM 179 O ILE A 14 2.904 -8.060 2.458 1.00 0.00 O ATOM 180 CB ILE A 14 0.983 -6.178 1.154 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.414 -5.070 0.265 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.224 -6.251 2.470 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.568 -5.343 -1.215 1.00 0.00 C ATOM 0 H ILE A 14 2.939 -6.954 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 14 2.636 -4.896 1.683 1.00 0.00 H new ATOM 0 HB ILE A 14 0.865 -7.130 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.644 -4.939 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.911 -4.130 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.834 -6.419 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.615 -7.072 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.346 -5.314 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.143 -4.516 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.626 -5.444 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.047 -6.265 -1.471 1.00 0.00 H new ATOM 195 N LYS A 15 3.361 -6.211 3.655 1.00 0.00 N ATOM 196 CA LYS A 15 3.820 -6.948 4.826 1.00 0.00 C ATOM 197 C LYS A 15 3.205 -6.381 6.102 1.00 0.00 C ATOM 198 O LYS A 15 3.523 -5.264 6.512 1.00 0.00 O ATOM 199 CB LYS A 15 5.347 -6.901 4.918 1.00 0.00 C ATOM 200 CG LYS A 15 5.911 -7.704 6.077 1.00 0.00 C ATOM 201 CD LYS A 15 7.396 -7.441 6.267 1.00 0.00 C ATOM 202 CE LYS A 15 7.887 -7.960 7.610 1.00 0.00 C ATOM 203 NZ LYS A 15 7.902 -9.448 7.658 1.00 0.00 N ATOM 0 H LYS A 15 3.396 -5.197 3.755 1.00 0.00 H new ATOM 0 HA LYS A 15 3.501 -7.985 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.771 -7.277 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.665 -5.863 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.376 -7.450 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.749 -8.767 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.957 -7.919 5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.589 -6.370 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.891 -7.580 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.245 -7.578 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.243 -9.762 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.940 -9.810 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.534 -9.813 6.917 1.00 0.00 H new ATOM 217 N CYS A 16 2.325 -7.157 6.725 1.00 0.00 N ATOM 218 CA CYS A 16 1.667 -6.731 7.955 1.00 0.00 C ATOM 219 C CYS A 16 2.670 -6.618 9.098 1.00 0.00 C ATOM 220 O CYS A 16 3.457 -7.533 9.339 1.00 0.00 O ATOM 221 CB CYS A 16 0.557 -7.714 8.330 1.00 0.00 C ATOM 222 SG CYS A 16 -0.898 -7.630 7.259 1.00 0.00 S ATOM 0 H CYS A 16 2.051 -8.084 6.399 1.00 0.00 H new ATOM 0 HA CYS A 16 1.229 -5.748 7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.958 -8.727 8.300 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.249 -7.523 9.358 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.779 -8.500 7.655 1.00 0.00 H new ATOM 228 N SER A 17 2.638 -5.488 9.797 1.00 0.00 N ATOM 229 CA SER A 17 3.548 -5.253 10.912 1.00 0.00 C ATOM 230 C SER A 17 3.231 -6.184 12.078 1.00 0.00 C ATOM 231 O SER A 17 2.077 -6.543 12.304 1.00 0.00 O ATOM 232 CB SER A 17 3.461 -3.796 11.369 1.00 0.00 C ATOM 233 OG SER A 17 4.660 -3.389 12.007 1.00 0.00 O ATOM 0 H SER A 17 1.992 -4.721 9.611 1.00 0.00 H new ATOM 0 HA SER A 17 4.562 -5.460 10.571 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.266 -3.153 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.622 -3.676 12.054 1.00 0.00 H new ATOM 0 HG SER A 17 4.718 -2.411 12.002 1.00 0.00 H new ATOM 239 N ASN A 18 4.267 -6.571 12.816 1.00 0.00 N ATOM 240 CA ASN A 18 4.101 -7.461 13.959 1.00 0.00 C ATOM 241 C ASN A 18 3.176 -8.625 13.613 1.00 0.00 C ATOM 242 O ASN A 18 2.541 -9.207 14.491 1.00 0.00 O ATOM 243 CB ASN A 18 3.541 -6.689 15.156 1.00 0.00 C ATOM 244 CG ASN A 18 3.572 -7.503 16.435 1.00 0.00 C ATOM 245 OD1 ASN A 18 2.544 -7.702 17.082 1.00 0.00 O ATOM 246 ND2 ASN A 18 4.756 -7.978 16.805 1.00 0.00 N ATOM 0 H ASN A 18 5.230 -6.282 12.643 1.00 0.00 H new ATOM 0 HA ASN A 18 5.080 -7.863 14.220 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.117 -5.774 15.297 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.515 -6.390 14.944 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.839 -8.533 17.657 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.582 -7.788 16.237 1.00 0.00 H new ATOM 253 N GLN A 19 3.108 -8.956 12.328 1.00 0.00 N ATOM 254 CA GLN A 19 2.261 -10.050 11.866 1.00 0.00 C ATOM 255 C GLN A 19 3.099 -11.161 11.242 1.00 0.00 C ATOM 256 O GLN A 19 3.250 -11.248 10.023 1.00 0.00 O ATOM 257 CB GLN A 19 1.237 -9.537 10.853 1.00 0.00 C ATOM 258 CG GLN A 19 0.070 -8.799 11.488 1.00 0.00 C ATOM 259 CD GLN A 19 -0.373 -9.423 12.796 1.00 0.00 C ATOM 260 OE1 GLN A 19 -0.487 -10.644 12.908 1.00 0.00 O ATOM 261 NE2 GLN A 19 -0.626 -8.586 13.796 1.00 0.00 N ATOM 0 H GLN A 19 3.628 -8.483 11.589 1.00 0.00 H new ATOM 0 HA GLN A 19 1.735 -10.458 12.729 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.737 -8.872 10.149 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.853 -10.380 10.278 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.353 -7.761 11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.769 -8.788 10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.518 -7.581 13.659 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.928 -8.948 14.700 1.00 0.00 H new ATOM 270 N PRO A 20 3.659 -12.031 12.095 1.00 0.00 N ATOM 271 CA PRO A 20 4.491 -13.153 11.649 1.00 0.00 C ATOM 272 C PRO A 20 3.681 -14.227 10.932 1.00 0.00 C ATOM 273 O PRO A 20 4.211 -14.965 10.102 1.00 0.00 O ATOM 274 CB PRO A 20 5.072 -13.704 12.954 1.00 0.00 C ATOM 275 CG PRO A 20 4.091 -13.308 14.003 1.00 0.00 C ATOM 276 CD PRO A 20 3.522 -11.988 13.560 1.00 0.00 C ATOM 0 HA PRO A 20 5.246 -12.839 10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.188 -14.787 12.909 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.058 -13.286 13.156 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.306 -14.057 14.106 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.575 -13.218 14.976 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.481 -11.877 13.863 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.070 -11.150 13.990 1.00 0.00 H new ATOM 284 N GLU A 21 2.395 -14.307 11.256 1.00 0.00 N ATOM 285 CA GLU A 21 1.512 -15.292 10.641 1.00 0.00 C ATOM 286 C GLU A 21 1.264 -14.959 9.173 1.00 0.00 C ATOM 287 O GLU A 21 1.220 -15.848 8.323 1.00 0.00 O ATOM 288 CB GLU A 21 0.181 -15.357 11.393 1.00 0.00 C ATOM 289 CG GLU A 21 0.215 -16.262 12.613 1.00 0.00 C ATOM 290 CD GLU A 21 1.131 -15.740 13.703 1.00 0.00 C ATOM 291 OE1 GLU A 21 0.720 -14.807 14.425 1.00 0.00 O ATOM 292 OE2 GLU A 21 2.258 -16.262 13.832 1.00 0.00 O ATOM 0 H GLU A 21 1.941 -13.702 11.940 1.00 0.00 H new ATOM 0 HA GLU A 21 2.000 -16.265 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.100 -14.351 11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.595 -15.708 10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.794 -16.366 13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.544 -17.257 12.313 1.00 0.00 H new ATOM 299 N ARG A 22 1.101 -13.672 8.884 1.00 0.00 N ATOM 300 CA ARG A 22 0.856 -13.220 7.520 1.00 0.00 C ATOM 301 C ARG A 22 2.153 -13.183 6.717 1.00 0.00 C ATOM 302 O ARG A 22 3.122 -12.538 7.117 1.00 0.00 O ATOM 303 CB ARG A 22 0.208 -11.834 7.528 1.00 0.00 C ATOM 304 CG ARG A 22 -1.311 -11.872 7.562 1.00 0.00 C ATOM 305 CD ARG A 22 -1.827 -12.296 8.928 1.00 0.00 C ATOM 306 NE ARG A 22 -1.990 -13.744 9.026 1.00 0.00 N ATOM 307 CZ ARG A 22 -2.861 -14.436 8.300 1.00 0.00 C ATOM 308 NH1 ARG A 22 -3.642 -13.815 7.427 1.00 0.00 N ATOM 309 NH2 ARG A 22 -2.951 -15.752 8.446 1.00 0.00 N ATOM 0 H ARG A 22 1.134 -12.924 9.577 1.00 0.00 H new ATOM 0 HA ARG A 22 0.177 -13.929 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.569 -11.279 8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.530 -11.287 6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.706 -10.887 7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.676 -12.564 6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.135 -11.956 9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.783 -11.810 9.121 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.403 -14.252 9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.575 -12.804 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.310 -14.348 6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.351 -16.233 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.620 -16.282 7.888 1.00 0.00 H new ATOM 323 N GLN A 23 2.162 -13.879 5.585 1.00 0.00 N ATOM 324 CA GLN A 23 3.341 -13.926 4.728 1.00 0.00 C ATOM 325 C GLN A 23 3.346 -12.759 3.746 1.00 0.00 C ATOM 326 O GLN A 23 2.301 -12.366 3.228 1.00 0.00 O ATOM 327 CB GLN A 23 3.390 -15.251 3.965 1.00 0.00 C ATOM 328 CG GLN A 23 2.235 -15.437 2.995 1.00 0.00 C ATOM 329 CD GLN A 23 1.011 -16.042 3.654 1.00 0.00 C ATOM 330 OE1 GLN A 23 -0.015 -15.379 3.812 1.00 0.00 O ATOM 331 NE2 GLN A 23 1.112 -17.308 4.043 1.00 0.00 N ATOM 0 H GLN A 23 1.367 -14.418 5.240 1.00 0.00 H new ATOM 0 HA GLN A 23 4.224 -13.847 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.329 -15.309 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.389 -16.073 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.970 -14.472 2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.555 -16.078 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.981 -17.820 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.320 -17.768 4.492 1.00 0.00 H new ATOM 340 N ILE A 24 4.530 -12.210 3.494 1.00 0.00 N ATOM 341 CA ILE A 24 4.671 -11.089 2.573 1.00 0.00 C ATOM 342 C ILE A 24 4.043 -11.406 1.220 1.00 0.00 C ATOM 343 O ILE A 24 4.052 -12.554 0.773 1.00 0.00 O ATOM 344 CB ILE A 24 6.150 -10.713 2.365 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.777 -10.272 3.689 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.276 -9.614 1.321 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.288 -10.350 3.698 1.00 0.00 C ATOM 0 H ILE A 24 5.405 -12.523 3.915 1.00 0.00 H new ATOM 0 HA ILE A 24 4.150 -10.244 3.023 1.00 0.00 H new ATOM 0 HB ILE A 24 6.686 -11.591 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.473 -9.247 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.384 -10.895 4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.327 -9.360 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.862 -9.962 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.729 -8.732 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.663 -10.023 4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.600 -11.378 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.690 -9.705 2.917 1.00 0.00 H new ATOM 359 N LEU A 25 3.501 -10.382 0.571 1.00 0.00 N ATOM 360 CA LEU A 25 2.871 -10.551 -0.734 1.00 0.00 C ATOM 361 C LEU A 25 3.310 -9.454 -1.698 1.00 0.00 C ATOM 362 O LEU A 25 4.113 -8.590 -1.344 1.00 0.00 O ATOM 363 CB LEU A 25 1.348 -10.541 -0.592 1.00 0.00 C ATOM 364 CG LEU A 25 0.794 -11.059 0.736 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.553 -10.420 1.039 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.673 -12.575 0.708 1.00 0.00 C ATOM 0 H LEU A 25 3.485 -9.426 0.927 1.00 0.00 H new ATOM 0 HA LEU A 25 3.186 -11.512 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.997 -9.519 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.924 -11.140 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 25 1.489 -10.785 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.931 -10.801 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.436 -9.338 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.258 -10.662 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.277 -12.926 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.001 -12.871 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.656 -13.015 0.539 1.00 0.00 H new ATOM 378 N GLU A 26 2.777 -9.493 -2.915 1.00 0.00 N ATOM 379 CA GLU A 26 3.114 -8.500 -3.928 1.00 0.00 C ATOM 380 C GLU A 26 1.913 -8.204 -4.821 1.00 0.00 C ATOM 381 O GLU A 26 1.447 -9.070 -5.562 1.00 0.00 O ATOM 382 CB GLU A 26 4.288 -8.987 -4.780 1.00 0.00 C ATOM 383 CG GLU A 26 5.152 -7.862 -5.326 1.00 0.00 C ATOM 384 CD GLU A 26 6.453 -8.363 -5.922 1.00 0.00 C ATOM 385 OE1 GLU A 26 6.417 -9.355 -6.680 1.00 0.00 O ATOM 386 OE2 GLU A 26 7.508 -7.761 -5.631 1.00 0.00 O ATOM 0 H GLU A 26 2.111 -10.201 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 26 3.401 -7.581 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.909 -9.653 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.902 -9.575 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.594 -7.317 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.372 -7.156 -4.525 1.00 0.00 H new ATOM 393 N LYS A 27 1.415 -6.975 -4.744 1.00 0.00 N ATOM 394 CA LYS A 27 0.268 -6.562 -5.544 1.00 0.00 C ATOM 395 C LYS A 27 0.595 -5.316 -6.361 1.00 0.00 C ATOM 396 O LYS A 27 1.449 -4.517 -5.976 1.00 0.00 O ATOM 397 CB LYS A 27 -0.938 -6.291 -4.642 1.00 0.00 C ATOM 398 CG LYS A 27 -1.809 -7.513 -4.408 1.00 0.00 C ATOM 399 CD LYS A 27 -2.597 -7.884 -5.654 1.00 0.00 C ATOM 400 CE LYS A 27 -3.905 -7.112 -5.736 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.732 -7.545 -6.897 1.00 0.00 N ATOM 0 H LYS A 27 1.788 -6.247 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 27 0.025 -7.373 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.585 -5.917 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.545 -5.503 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.184 -8.354 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.497 -7.318 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.996 -7.679 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.804 -8.954 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.469 -7.255 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.693 -6.046 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.615 -6.996 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.204 -7.385 -7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.956 -8.557 -6.806 1.00 0.00 H new ATOM 415 N GLN A 28 -0.091 -5.156 -7.488 1.00 0.00 N ATOM 416 CA GLN A 28 0.127 -4.006 -8.358 1.00 0.00 C ATOM 417 C GLN A 28 -1.105 -3.108 -8.391 1.00 0.00 C ATOM 418 O GLN A 28 -2.187 -3.535 -8.795 1.00 0.00 O ATOM 419 CB GLN A 28 0.474 -4.470 -9.774 1.00 0.00 C ATOM 420 CG GLN A 28 1.906 -4.957 -9.920 1.00 0.00 C ATOM 421 CD GLN A 28 2.234 -5.389 -11.336 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.025 -6.543 -11.710 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.750 -4.461 -12.134 1.00 0.00 N ATOM 0 H GLN A 28 -0.802 -5.808 -7.820 1.00 0.00 H new ATOM 0 HA GLN A 28 0.962 -3.431 -7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.205 -5.273 -10.061 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.306 -3.647 -10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.589 -4.162 -9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.072 -5.794 -9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.907 -3.516 -11.783 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.989 -4.693 -13.098 1.00 0.00 H new ATOM 432 N LEU A 29 -0.934 -1.861 -7.965 1.00 0.00 N ATOM 433 CA LEU A 29 -2.032 -0.902 -7.946 1.00 0.00 C ATOM 434 C LEU A 29 -1.613 0.419 -8.584 1.00 0.00 C ATOM 435 O LEU A 29 -0.444 0.806 -8.556 1.00 0.00 O ATOM 436 CB LEU A 29 -2.501 -0.662 -6.510 1.00 0.00 C ATOM 437 CG LEU A 29 -2.976 -1.897 -5.743 1.00 0.00 C ATOM 438 CD1 LEU A 29 -4.126 -2.570 -6.475 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.826 -2.873 -5.541 1.00 0.00 C ATOM 0 H LEU A 29 -0.045 -1.491 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.856 -1.319 -8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.682 -0.206 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.315 0.063 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.333 -1.578 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.451 -3.447 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.957 -1.871 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.796 -2.876 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.182 -3.746 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.439 -3.186 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.032 -2.387 -4.973 1.00 0.00 H new ATOM 451 N PRO A 30 -2.588 1.130 -9.170 1.00 0.00 N ATOM 452 CA PRO A 30 -2.344 2.419 -9.823 1.00 0.00 C ATOM 453 C PRO A 30 -2.008 3.521 -8.823 1.00 0.00 C ATOM 454 O PRO A 30 -2.789 3.808 -7.916 1.00 0.00 O ATOM 455 CB PRO A 30 -3.672 2.719 -10.523 1.00 0.00 C ATOM 456 CG PRO A 30 -4.692 1.970 -9.737 1.00 0.00 C ATOM 457 CD PRO A 30 -4.003 0.729 -9.240 1.00 0.00 C ATOM 0 HA PRO A 30 -1.490 2.378 -10.499 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.884 3.788 -10.529 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.654 2.392 -11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.062 2.570 -8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.553 1.717 -10.356 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.382 0.422 -8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.150 -0.111 -9.919 1.00 0.00 H new ATOM 465 N ASP A 31 -0.843 4.135 -8.996 1.00 0.00 N ATOM 466 CA ASP A 31 -0.405 5.207 -8.110 1.00 0.00 C ATOM 467 C ASP A 31 -1.551 6.168 -7.812 1.00 0.00 C ATOM 468 O ASP A 31 -1.548 6.855 -6.791 1.00 0.00 O ATOM 469 CB ASP A 31 0.766 5.967 -8.734 1.00 0.00 C ATOM 470 CG ASP A 31 0.418 6.557 -10.087 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.513 6.038 -10.738 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.078 7.536 -10.495 1.00 0.00 O ATOM 0 H ASP A 31 -0.185 3.909 -9.742 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.078 4.759 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.076 6.766 -8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.616 5.293 -8.842 1.00 0.00 H new ATOM 477 N SER A 32 -2.528 6.212 -8.711 1.00 0.00 N ATOM 478 CA SER A 32 -3.679 7.094 -8.547 1.00 0.00 C ATOM 479 C SER A 32 -4.516 6.675 -7.343 1.00 0.00 C ATOM 480 O SER A 32 -4.958 7.514 -6.558 1.00 0.00 O ATOM 481 CB SER A 32 -4.541 7.082 -9.811 1.00 0.00 C ATOM 482 OG SER A 32 -5.351 8.243 -9.886 1.00 0.00 O ATOM 0 H SER A 32 -2.547 5.648 -9.561 1.00 0.00 H new ATOM 0 HA SER A 32 -3.310 8.105 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.901 7.024 -10.691 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.172 6.193 -9.816 1.00 0.00 H new ATOM 0 HG SER A 32 -5.891 8.213 -10.703 1.00 0.00 H new ATOM 488 N MET A 33 -4.731 5.371 -7.204 1.00 0.00 N ATOM 489 CA MET A 33 -5.515 4.839 -6.095 1.00 0.00 C ATOM 490 C MET A 33 -5.176 5.562 -4.795 1.00 0.00 C ATOM 491 O MET A 33 -4.071 5.428 -4.268 1.00 0.00 O ATOM 492 CB MET A 33 -5.264 3.338 -5.938 1.00 0.00 C ATOM 493 CG MET A 33 -6.456 2.579 -5.379 1.00 0.00 C ATOM 494 SD MET A 33 -6.531 0.875 -5.966 1.00 0.00 S ATOM 495 CE MET A 33 -5.664 0.025 -4.649 1.00 0.00 C ATOM 0 H MET A 33 -4.373 4.663 -7.845 1.00 0.00 H new ATOM 0 HA MET A 33 -6.570 5.002 -6.317 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.999 2.919 -6.909 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.407 3.188 -5.281 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.406 2.582 -4.290 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.374 3.096 -5.657 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.809 -1.050 -4.753 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.600 0.255 -4.706 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.055 0.352 -3.686 1.00 0.00 H new ATOM 505 N THR A 34 -6.133 6.328 -4.281 1.00 0.00 N ATOM 506 CA THR A 34 -5.936 7.072 -3.044 1.00 0.00 C ATOM 507 C THR A 34 -5.680 6.132 -1.872 1.00 0.00 C ATOM 508 O THR A 34 -6.268 5.053 -1.788 1.00 0.00 O ATOM 509 CB THR A 34 -7.154 7.958 -2.721 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.363 7.210 -2.892 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.182 9.188 -3.615 1.00 0.00 C ATOM 0 H THR A 34 -7.054 6.449 -4.703 1.00 0.00 H new ATOM 0 HA THR A 34 -5.063 7.708 -3.193 1.00 0.00 H new ATOM 0 HB THR A 34 -7.073 8.285 -1.684 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.132 7.780 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.051 9.798 -3.368 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.274 9.771 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.241 8.878 -4.658 1.00 0.00 H new ATOM 519 N VAL A 35 -4.799 6.548 -0.967 1.00 0.00 N ATOM 520 CA VAL A 35 -4.466 5.743 0.202 1.00 0.00 C ATOM 521 C VAL A 35 -5.718 5.138 0.827 1.00 0.00 C ATOM 522 O VAL A 35 -5.662 4.081 1.454 1.00 0.00 O ATOM 523 CB VAL A 35 -3.727 6.576 1.265 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.501 5.755 2.526 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.407 7.094 0.713 1.00 0.00 C ATOM 0 H VAL A 35 -4.303 7.438 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.811 4.942 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.348 7.433 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.977 6.361 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.462 5.438 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.901 4.877 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.898 7.681 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.778 6.252 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.598 7.721 -0.158 1.00 0.00 H new ATOM 535 N GLN A 36 -6.848 5.816 0.651 1.00 0.00 N ATOM 536 CA GLN A 36 -8.115 5.345 1.198 1.00 0.00 C ATOM 537 C GLN A 36 -8.563 4.062 0.506 1.00 0.00 C ATOM 538 O GLN A 36 -8.905 3.077 1.161 1.00 0.00 O ATOM 539 CB GLN A 36 -9.191 6.422 1.049 1.00 0.00 C ATOM 540 CG GLN A 36 -10.339 6.274 2.034 1.00 0.00 C ATOM 541 CD GLN A 36 -11.556 7.087 1.638 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.093 6.928 0.541 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.999 7.965 2.530 1.00 0.00 N ATOM 0 H GLN A 36 -6.912 6.693 0.134 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.968 5.133 2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.733 7.402 1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.587 6.390 0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.617 5.223 2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.006 6.585 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.524 8.064 3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.814 8.540 2.318 1.00 0.00 H new ATOM 552 N LYS A 37 -8.560 4.080 -0.822 1.00 0.00 N ATOM 553 CA LYS A 37 -8.966 2.919 -1.605 1.00 0.00 C ATOM 554 C LYS A 37 -8.140 1.693 -1.227 1.00 0.00 C ATOM 555 O LYS A 37 -8.688 0.645 -0.885 1.00 0.00 O ATOM 556 CB LYS A 37 -8.814 3.207 -3.100 1.00 0.00 C ATOM 557 CG LYS A 37 -9.965 4.009 -3.684 1.00 0.00 C ATOM 558 CD LYS A 37 -10.264 3.593 -5.115 1.00 0.00 C ATOM 559 CE LYS A 37 -11.322 2.502 -5.169 1.00 0.00 C ATOM 560 NZ LYS A 37 -11.262 1.733 -6.443 1.00 0.00 N ATOM 0 H LYS A 37 -8.280 4.887 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.014 2.713 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.883 3.750 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.731 2.262 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.855 3.870 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.721 5.071 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.604 4.459 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.350 3.238 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.186 1.822 -4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.310 2.949 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.999 0.999 -6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.417 2.377 -7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.328 1.285 -6.535 1.00 0.00 H new ATOM 574 N VAL A 38 -6.820 1.832 -1.290 1.00 0.00 N ATOM 575 CA VAL A 38 -5.919 0.736 -0.951 1.00 0.00 C ATOM 576 C VAL A 38 -6.298 0.106 0.384 1.00 0.00 C ATOM 577 O VAL A 38 -6.261 -1.115 0.540 1.00 0.00 O ATOM 578 CB VAL A 38 -4.456 1.213 -0.885 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.517 0.031 -0.702 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.096 2.003 -2.134 1.00 0.00 C ATOM 0 H VAL A 38 -6.350 2.692 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.015 -0.009 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.345 1.871 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.488 0.387 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.762 -0.488 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.627 -0.655 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.059 2.332 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.223 1.371 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.748 2.873 -2.215 1.00 0.00 H new ATOM 590 N LYS A 39 -6.663 0.946 1.346 1.00 0.00 N ATOM 591 CA LYS A 39 -7.050 0.473 2.670 1.00 0.00 C ATOM 592 C LYS A 39 -8.395 -0.245 2.618 1.00 0.00 C ATOM 593 O LYS A 39 -8.654 -1.157 3.402 1.00 0.00 O ATOM 594 CB LYS A 39 -7.123 1.644 3.652 1.00 0.00 C ATOM 595 CG LYS A 39 -5.763 2.119 4.133 1.00 0.00 C ATOM 596 CD LYS A 39 -5.820 3.550 4.642 1.00 0.00 C ATOM 597 CE LYS A 39 -4.480 3.994 5.208 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.592 5.277 5.956 1.00 0.00 N ATOM 0 H LYS A 39 -6.699 1.959 1.234 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.293 -0.233 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.641 2.476 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.721 1.348 4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.408 1.463 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.043 2.050 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.111 4.215 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.587 3.633 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.091 3.220 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.762 4.109 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.679 5.775 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.323 5.872 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.852 5.081 6.944 1.00 0.00 H new ATOM 612 N GLY A 40 -9.249 0.172 1.688 1.00 0.00 N ATOM 613 CA GLY A 40 -10.556 -0.443 1.551 1.00 0.00 C ATOM 614 C GLY A 40 -10.499 -1.769 0.818 1.00 0.00 C ATOM 615 O GLY A 40 -11.510 -2.460 0.690 1.00 0.00 O ATOM 0 H GLY A 40 -9.059 0.925 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.987 -0.596 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.219 0.236 1.016 1.00 0.00 H new ATOM 619 N LEU A 41 -9.314 -2.125 0.335 1.00 0.00 N ATOM 620 CA LEU A 41 -9.128 -3.377 -0.390 1.00 0.00 C ATOM 621 C LEU A 41 -8.835 -4.525 0.571 1.00 0.00 C ATOM 622 O LEU A 41 -9.369 -5.625 0.422 1.00 0.00 O ATOM 623 CB LEU A 41 -7.989 -3.240 -1.402 1.00 0.00 C ATOM 624 CG LEU A 41 -7.422 -4.547 -1.956 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.288 -5.065 -3.094 1.00 0.00 C ATOM 626 CD2 LEU A 41 -5.987 -4.351 -2.422 1.00 0.00 C ATOM 0 H LEU A 41 -8.467 -1.564 0.432 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.053 -3.600 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.344 -2.638 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.177 -2.686 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.425 -5.289 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.869 -5.996 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.299 -5.245 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.318 -4.326 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.600 -5.292 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.959 -3.593 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.373 -4.027 -1.582 1.00 0.00 H new ATOM 638 N LEU A 42 -7.985 -4.261 1.557 1.00 0.00 N ATOM 639 CA LEU A 42 -7.621 -5.271 2.544 1.00 0.00 C ATOM 640 C LEU A 42 -8.586 -5.249 3.726 1.00 0.00 C ATOM 641 O LEU A 42 -8.705 -6.229 4.461 1.00 0.00 O ATOM 642 CB LEU A 42 -6.191 -5.042 3.035 1.00 0.00 C ATOM 643 CG LEU A 42 -5.095 -5.127 1.971 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.903 -4.269 2.364 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.668 -6.572 1.759 1.00 0.00 C ATOM 0 H LEU A 42 -7.535 -3.356 1.694 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.682 -6.249 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.141 -4.058 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.973 -5.775 3.812 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.497 -4.747 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.133 -4.342 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.219 -3.231 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.501 -4.619 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.888 -6.613 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.285 -6.979 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.525 -7.160 1.431 1.00 0.00 H new ATOM 657 N SER A 43 -9.273 -4.125 3.901 1.00 0.00 N ATOM 658 CA SER A 43 -10.226 -3.975 4.994 1.00 0.00 C ATOM 659 C SER A 43 -11.108 -5.213 5.121 1.00 0.00 C ATOM 660 O SER A 43 -11.335 -5.717 6.221 1.00 0.00 O ATOM 661 CB SER A 43 -11.097 -2.736 4.773 1.00 0.00 C ATOM 662 OG SER A 43 -12.316 -2.835 5.489 1.00 0.00 O ATOM 0 H SER A 43 -9.187 -3.305 3.300 1.00 0.00 H new ATOM 0 HA SER A 43 -9.663 -3.855 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.556 -1.845 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.305 -2.619 3.709 1.00 0.00 H new ATOM 0 HG SER A 43 -12.128 -2.884 6.450 1.00 0.00 H new ATOM 668 N ARG A 44 -11.602 -5.699 3.987 1.00 0.00 N ATOM 669 CA ARG A 44 -12.460 -6.878 3.970 1.00 0.00 C ATOM 670 C ARG A 44 -11.640 -8.150 4.165 1.00 0.00 C ATOM 671 O ARG A 44 -12.101 -9.110 4.783 1.00 0.00 O ATOM 672 CB ARG A 44 -13.232 -6.954 2.651 1.00 0.00 C ATOM 673 CG ARG A 44 -14.133 -5.756 2.404 1.00 0.00 C ATOM 674 CD ARG A 44 -13.327 -4.512 2.066 1.00 0.00 C ATOM 675 NE ARG A 44 -14.111 -3.539 1.310 1.00 0.00 N ATOM 676 CZ ARG A 44 -14.483 -3.717 0.047 1.00 0.00 C ATOM 677 NH1 ARG A 44 -14.144 -4.825 -0.597 1.00 0.00 N ATOM 678 NH2 ARG A 44 -15.196 -2.785 -0.573 1.00 0.00 N ATOM 0 H ARG A 44 -11.423 -5.295 3.068 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.168 -6.793 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.522 -7.040 1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.837 -7.861 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.820 -5.978 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.740 -5.568 3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.968 -4.052 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.448 -4.796 1.488 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.388 -2.676 1.777 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.596 -5.543 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.431 -4.959 -1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.459 -1.932 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.481 -2.922 -1.543 1.00 0.00 H new ATOM 692 N LEU A 45 -10.422 -8.149 3.635 1.00 0.00 N ATOM 693 CA LEU A 45 -9.536 -9.303 3.751 1.00 0.00 C ATOM 694 C LEU A 45 -9.208 -9.593 5.212 1.00 0.00 C ATOM 695 O LEU A 45 -9.577 -10.640 5.746 1.00 0.00 O ATOM 696 CB LEU A 45 -8.246 -9.062 2.965 1.00 0.00 C ATOM 697 CG LEU A 45 -8.259 -9.507 1.502 1.00 0.00 C ATOM 698 CD1 LEU A 45 -9.301 -8.727 0.716 1.00 0.00 C ATOM 699 CD2 LEU A 45 -6.880 -9.334 0.881 1.00 0.00 C ATOM 0 H LEU A 45 -10.025 -7.363 3.121 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.051 -10.169 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.018 -7.997 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.432 -9.578 3.474 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.523 -10.564 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.296 -9.057 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.287 -8.901 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.068 -7.663 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.907 -9.655 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.588 -8.285 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.156 -9.938 1.428 1.00 0.00 H new ATOM 711 N LEU A 46 -8.515 -8.660 5.854 1.00 0.00 N ATOM 712 CA LEU A 46 -8.139 -8.814 7.255 1.00 0.00 C ATOM 713 C LEU A 46 -9.282 -8.396 8.175 1.00 0.00 C ATOM 714 O LEU A 46 -9.113 -8.305 9.391 1.00 0.00 O ATOM 715 CB LEU A 46 -6.891 -7.984 7.563 1.00 0.00 C ATOM 716 CG LEU A 46 -5.585 -8.480 6.941 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.628 -7.320 6.714 1.00 0.00 C ATOM 718 CD2 LEU A 46 -4.942 -9.539 7.825 1.00 0.00 C ATOM 0 H LEU A 46 -8.202 -7.788 5.427 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.921 -9.867 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.066 -6.962 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.763 -7.945 8.645 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.813 -8.931 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.704 -7.692 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.087 -6.596 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.406 -6.840 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.014 -9.881 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.728 -9.113 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.623 -10.382 7.937 1.00 0.00 H new ATOM 730 N LYS A 47 -10.446 -8.145 7.586 1.00 0.00 N ATOM 731 CA LYS A 47 -11.619 -7.739 8.352 1.00 0.00 C ATOM 732 C LYS A 47 -11.279 -6.597 9.304 1.00 0.00 C ATOM 733 O LYS A 47 -11.562 -6.668 10.500 1.00 0.00 O ATOM 734 CB LYS A 47 -12.174 -8.928 9.141 1.00 0.00 C ATOM 735 CG LYS A 47 -12.524 -10.124 8.273 1.00 0.00 C ATOM 736 CD LYS A 47 -11.336 -11.056 8.102 1.00 0.00 C ATOM 737 CE LYS A 47 -11.115 -11.910 9.340 1.00 0.00 C ATOM 738 NZ LYS A 47 -9.787 -12.584 9.320 1.00 0.00 N ATOM 0 H LYS A 47 -10.603 -8.215 6.581 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.377 -7.390 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.440 -9.233 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.065 -8.610 9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.354 -10.670 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.861 -9.779 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.499 -11.701 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.439 -10.471 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.192 -11.286 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.902 -12.661 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.675 -13.156 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.723 -13.200 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.034 -11.867 9.281 1.00 0.00 H new ATOM 752 N VAL A 48 -10.672 -5.544 8.766 1.00 0.00 N ATOM 753 CA VAL A 48 -10.297 -4.386 9.568 1.00 0.00 C ATOM 754 C VAL A 48 -10.843 -3.098 8.962 1.00 0.00 C ATOM 755 O VAL A 48 -10.822 -2.896 7.747 1.00 0.00 O ATOM 756 CB VAL A 48 -8.767 -4.269 9.702 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.394 -3.020 10.487 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.193 -5.514 10.361 1.00 0.00 C ATOM 0 H VAL A 48 -10.430 -5.469 7.778 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.731 -4.531 10.557 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.338 -4.184 8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.309 -2.954 10.572 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.772 -2.138 9.969 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.833 -3.072 11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.111 -5.414 10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.627 -5.633 11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.429 -6.388 9.755 1.00 0.00 H new ATOM 768 N PRO A 49 -11.345 -2.204 9.826 1.00 0.00 N ATOM 769 CA PRO A 49 -11.906 -0.918 9.400 1.00 0.00 C ATOM 770 C PRO A 49 -10.836 0.037 8.881 1.00 0.00 C ATOM 771 O PRO A 49 -9.870 0.342 9.580 1.00 0.00 O ATOM 772 CB PRO A 49 -12.541 -0.366 10.678 1.00 0.00 C ATOM 773 CG PRO A 49 -11.783 -1.012 11.787 1.00 0.00 C ATOM 774 CD PRO A 49 -11.403 -2.378 11.287 1.00 0.00 C ATOM 0 HA PRO A 49 -12.609 -1.033 8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.460 0.720 10.723 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.602 -0.609 10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.898 -0.431 12.045 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.393 -1.082 12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.444 -2.701 11.691 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.139 -3.129 11.573 1.00 0.00 H new ATOM 782 N VAL A 50 -11.016 0.507 7.650 1.00 0.00 N ATOM 783 CA VAL A 50 -10.067 1.430 7.038 1.00 0.00 C ATOM 784 C VAL A 50 -9.604 2.485 8.037 1.00 0.00 C ATOM 785 O VAL A 50 -8.503 3.023 7.922 1.00 0.00 O ATOM 786 CB VAL A 50 -10.680 2.133 5.812 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.829 3.325 5.401 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.833 1.154 4.659 1.00 0.00 C ATOM 0 H VAL A 50 -11.810 0.264 7.058 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.210 0.837 6.717 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.671 2.499 6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.277 3.810 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.775 4.035 6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.825 2.985 5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.267 1.667 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.855 0.756 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.486 0.335 4.961 1.00 0.00 H new ATOM 798 N SER A 51 -10.453 2.776 9.018 1.00 0.00 N ATOM 799 CA SER A 51 -10.132 3.769 10.036 1.00 0.00 C ATOM 800 C SER A 51 -8.955 3.311 10.891 1.00 0.00 C ATOM 801 O SER A 51 -8.052 4.091 11.192 1.00 0.00 O ATOM 802 CB SER A 51 -11.350 4.032 10.924 1.00 0.00 C ATOM 803 OG SER A 51 -12.175 5.043 10.372 1.00 0.00 O ATOM 0 H SER A 51 -11.368 2.338 9.129 1.00 0.00 H new ATOM 0 HA SER A 51 -9.853 4.693 9.530 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.924 3.113 11.040 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.021 4.330 11.919 1.00 0.00 H new ATOM 0 HG SER A 51 -12.947 5.191 10.957 1.00 0.00 H new ATOM 809 N GLU A 52 -8.972 2.039 11.278 1.00 0.00 N ATOM 810 CA GLU A 52 -7.907 1.476 12.099 1.00 0.00 C ATOM 811 C GLU A 52 -6.706 1.088 11.241 1.00 0.00 C ATOM 812 O GLU A 52 -5.592 0.936 11.744 1.00 0.00 O ATOM 813 CB GLU A 52 -8.415 0.254 12.867 1.00 0.00 C ATOM 814 CG GLU A 52 -9.457 0.588 13.922 1.00 0.00 C ATOM 815 CD GLU A 52 -8.942 1.563 14.962 1.00 0.00 C ATOM 816 OE1 GLU A 52 -7.754 1.460 15.335 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.725 2.430 15.403 1.00 0.00 O ATOM 0 H GLU A 52 -9.712 1.379 11.036 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.592 2.238 12.812 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.841 -0.458 12.160 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.570 -0.240 13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.337 1.011 13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.776 -0.330 14.416 1.00 0.00 H new ATOM 824 N LEU A 53 -6.941 0.928 9.943 1.00 0.00 N ATOM 825 CA LEU A 53 -5.880 0.557 9.014 1.00 0.00 C ATOM 826 C LEU A 53 -4.918 1.720 8.793 1.00 0.00 C ATOM 827 O LEU A 53 -5.340 2.860 8.591 1.00 0.00 O ATOM 828 CB LEU A 53 -6.477 0.114 7.677 1.00 0.00 C ATOM 829 CG LEU A 53 -7.043 -1.306 7.633 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.863 -1.514 6.369 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.920 -2.330 7.717 1.00 0.00 C ATOM 0 H LEU A 53 -7.857 1.049 9.511 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.324 -0.273 9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.272 0.809 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.706 0.201 6.911 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.698 -1.443 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.258 -2.530 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.689 -0.803 6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.230 -1.358 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.341 -3.335 7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.240 -2.194 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.374 -2.195 8.651 1.00 0.00 H new ATOM 843 N LEU A 54 -3.623 1.426 8.831 1.00 0.00 N ATOM 844 CA LEU A 54 -2.600 2.447 8.633 1.00 0.00 C ATOM 845 C LEU A 54 -1.550 1.978 7.631 1.00 0.00 C ATOM 846 O LEU A 54 -0.753 1.085 7.923 1.00 0.00 O ATOM 847 CB LEU A 54 -1.932 2.793 9.965 1.00 0.00 C ATOM 848 CG LEU A 54 -2.845 3.382 11.041 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.100 3.514 12.360 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.390 4.732 10.597 1.00 0.00 C ATOM 0 H LEU A 54 -3.256 0.489 8.997 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.084 3.339 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.471 1.889 10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.127 3.502 9.772 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.685 2.704 11.188 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.766 3.935 13.113 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.759 2.531 12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.240 4.171 12.228 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.038 5.137 11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.562 5.419 10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.961 4.609 9.677 1.00 0.00 H new ATOM 862 N LEU A 55 -1.553 2.586 6.450 1.00 0.00 N ATOM 863 CA LEU A 55 -0.599 2.233 5.405 1.00 0.00 C ATOM 864 C LEU A 55 0.690 3.036 5.551 1.00 0.00 C ATOM 865 O LEU A 55 0.660 4.260 5.675 1.00 0.00 O ATOM 866 CB LEU A 55 -1.212 2.477 4.025 1.00 0.00 C ATOM 867 CG LEU A 55 -1.875 1.269 3.362 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.824 0.301 2.841 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.808 0.570 4.341 1.00 0.00 C ATOM 0 H LEU A 55 -2.206 3.326 6.192 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.359 1.175 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.954 3.270 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.429 2.846 3.362 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.465 1.621 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.315 -0.552 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.196 0.806 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.206 -0.046 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.272 -0.287 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.239 0.231 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.582 1.265 4.665 1.00 0.00 H new ATOM 881 N SER A 56 1.821 2.338 5.532 1.00 0.00 N ATOM 882 CA SER A 56 3.121 2.985 5.663 1.00 0.00 C ATOM 883 C SER A 56 4.138 2.360 4.712 1.00 0.00 C ATOM 884 O SER A 56 4.426 1.166 4.792 1.00 0.00 O ATOM 885 CB SER A 56 3.623 2.881 7.104 1.00 0.00 C ATOM 886 OG SER A 56 3.201 1.669 7.705 1.00 0.00 O ATOM 0 H SER A 56 1.863 1.324 5.427 1.00 0.00 H new ATOM 0 HA SER A 56 3.003 4.037 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.711 2.938 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.252 3.726 7.684 1.00 0.00 H new ATOM 0 HG SER A 56 3.536 1.626 8.625 1.00 0.00 H new ATOM 892 N TYR A 57 4.677 3.176 3.814 1.00 0.00 N ATOM 893 CA TYR A 57 5.660 2.704 2.845 1.00 0.00 C ATOM 894 C TYR A 57 7.078 3.027 3.307 1.00 0.00 C ATOM 895 O TYR A 57 7.307 4.023 3.992 1.00 0.00 O ATOM 896 CB TYR A 57 5.401 3.335 1.476 1.00 0.00 C ATOM 897 CG TYR A 57 6.099 4.661 1.279 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.593 5.825 1.843 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.264 4.750 0.527 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.227 7.040 1.665 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.906 5.960 0.345 1.00 0.00 C ATOM 902 CZ TYR A 57 7.383 7.102 0.915 1.00 0.00 C ATOM 903 OH TYR A 57 8.018 8.309 0.735 1.00 0.00 O ATOM 0 H TYR A 57 4.450 4.167 3.736 1.00 0.00 H new ATOM 0 HA TYR A 57 5.562 1.622 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.727 2.643 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.328 3.476 1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.688 5.780 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.675 3.858 0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.820 7.936 2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.812 6.011 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 57 7.375 8.971 0.404 1.00 0.00 H new ATOM 913 N GLU A 58 8.026 2.177 2.924 1.00 0.00 N ATOM 914 CA GLU A 58 9.421 2.371 3.298 1.00 0.00 C ATOM 915 C GLU A 58 10.282 2.640 2.067 1.00 0.00 C ATOM 916 O GLU A 58 10.269 1.870 1.107 1.00 0.00 O ATOM 917 CB GLU A 58 9.948 1.144 4.045 1.00 0.00 C ATOM 918 CG GLU A 58 11.180 1.426 4.888 1.00 0.00 C ATOM 919 CD GLU A 58 11.590 0.239 5.738 1.00 0.00 C ATOM 920 OE1 GLU A 58 10.716 -0.592 6.058 1.00 0.00 O ATOM 921 OE2 GLU A 58 12.787 0.142 6.081 1.00 0.00 O ATOM 0 H GLU A 58 7.853 1.348 2.355 1.00 0.00 H new ATOM 0 HA GLU A 58 9.477 3.239 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.159 0.755 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.184 0.363 3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.007 1.703 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.985 2.281 5.535 1.00 0.00 H new ATOM 928 N SER A 59 11.030 3.738 2.104 1.00 0.00 N ATOM 929 CA SER A 59 11.894 4.111 0.990 1.00 0.00 C ATOM 930 C SER A 59 13.208 3.337 1.038 1.00 0.00 C ATOM 931 O SER A 59 13.710 3.012 2.114 1.00 0.00 O ATOM 932 CB SER A 59 12.175 5.615 1.016 1.00 0.00 C ATOM 933 OG SER A 59 11.023 6.342 1.408 1.00 0.00 O ATOM 0 H SER A 59 11.055 4.384 2.893 1.00 0.00 H new ATOM 0 HA SER A 59 11.378 3.860 0.063 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.993 5.824 1.706 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.499 5.945 0.029 1.00 0.00 H new ATOM 0 HG SER A 59 10.232 5.963 0.970 1.00 0.00 H new ATOM 939 N SER A 60 13.759 3.045 -0.135 1.00 0.00 N ATOM 940 CA SER A 60 15.013 2.306 -0.229 1.00 0.00 C ATOM 941 C SER A 60 16.203 3.216 0.057 1.00 0.00 C ATOM 942 O SER A 60 17.095 2.867 0.830 1.00 0.00 O ATOM 943 CB SER A 60 15.157 1.679 -1.617 1.00 0.00 C ATOM 944 OG SER A 60 14.662 2.546 -2.622 1.00 0.00 O ATOM 0 H SER A 60 13.357 3.309 -1.035 1.00 0.00 H new ATOM 0 HA SER A 60 14.996 1.514 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.206 1.454 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.617 0.733 -1.650 1.00 0.00 H new ATOM 0 HG SER A 60 14.767 2.123 -3.500 1.00 0.00 H new ATOM 950 N LYS A 61 16.210 4.386 -0.573 1.00 0.00 N ATOM 951 CA LYS A 61 17.288 5.350 -0.387 1.00 0.00 C ATOM 952 C LYS A 61 17.521 5.628 1.095 1.00 0.00 C ATOM 953 O LYS A 61 18.626 5.983 1.503 1.00 0.00 O ATOM 954 CB LYS A 61 16.965 6.655 -1.117 1.00 0.00 C ATOM 955 CG LYS A 61 15.955 7.525 -0.389 1.00 0.00 C ATOM 956 CD LYS A 61 15.936 8.940 -0.943 1.00 0.00 C ATOM 957 CE LYS A 61 14.749 9.730 -0.414 1.00 0.00 C ATOM 958 NZ LYS A 61 15.048 11.186 -0.320 1.00 0.00 N ATOM 0 H LYS A 61 15.480 4.690 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 61 18.199 4.923 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.886 7.221 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.581 6.421 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.962 7.085 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.196 7.553 0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.862 9.449 -0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.895 8.905 -2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.891 9.577 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.471 9.352 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.214 11.689 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.851 11.335 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.288 11.553 -1.263 1.00 0.00 H new ATOM 972 N MET A 62 16.472 5.462 1.895 1.00 0.00 N ATOM 973 CA MET A 62 16.564 5.692 3.332 1.00 0.00 C ATOM 974 C MET A 62 15.957 4.529 4.109 1.00 0.00 C ATOM 975 O MET A 62 14.805 4.574 4.541 1.00 0.00 O ATOM 976 CB MET A 62 15.856 6.996 3.707 1.00 0.00 C ATOM 977 CG MET A 62 16.302 7.566 5.044 1.00 0.00 C ATOM 978 SD MET A 62 18.072 7.903 5.100 1.00 0.00 S ATOM 979 CE MET A 62 18.603 6.718 6.333 1.00 0.00 C ATOM 0 H MET A 62 15.550 5.169 1.573 1.00 0.00 H new ATOM 0 HA MET A 62 17.619 5.770 3.596 1.00 0.00 H new ATOM 0 HB2 MET A 62 16.037 7.736 2.927 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.781 6.821 3.736 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.754 8.487 5.243 1.00 0.00 H new ATOM 0 HG3 MET A 62 16.044 6.865 5.838 1.00 0.00 H new ATOM 0 HE1 MET A 62 19.680 6.804 6.480 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.091 6.918 7.274 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.362 5.710 5.996 1.00 0.00 H new ATOM 989 N PRO A 63 16.748 3.461 4.292 1.00 0.00 N ATOM 990 CA PRO A 63 16.309 2.266 5.018 1.00 0.00 C ATOM 991 C PRO A 63 16.144 2.523 6.512 1.00 0.00 C ATOM 992 O PRO A 63 16.877 3.318 7.099 1.00 0.00 O ATOM 993 CB PRO A 63 17.439 1.264 4.769 1.00 0.00 C ATOM 994 CG PRO A 63 18.638 2.106 4.500 1.00 0.00 C ATOM 995 CD PRO A 63 18.132 3.339 3.804 1.00 0.00 C ATOM 0 HA PRO A 63 15.332 1.920 4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.594 0.619 5.634 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.213 0.615 3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 63 19.150 2.364 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.357 1.574 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.727 4.217 4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 63 18.168 3.232 2.720 1.00 0.00 H new ATOM 1003 N GLY A 64 15.178 1.844 7.122 1.00 0.00 N ATOM 1004 CA GLY A 64 14.935 2.012 8.543 1.00 0.00 C ATOM 1005 C GLY A 64 14.067 3.218 8.844 1.00 0.00 C ATOM 1006 O GLY A 64 14.095 3.750 9.954 1.00 0.00 O ATOM 0 H GLY A 64 14.559 1.180 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.455 1.115 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.888 2.116 9.062 1.00 0.00 H new ATOM 1010 N ARG A 65 13.295 3.651 7.853 1.00 0.00 N ATOM 1011 CA ARG A 65 12.417 4.803 8.016 1.00 0.00 C ATOM 1012 C ARG A 65 11.193 4.687 7.112 1.00 0.00 C ATOM 1013 O ARG A 65 11.313 4.684 5.887 1.00 0.00 O ATOM 1014 CB ARG A 65 13.173 6.096 7.705 1.00 0.00 C ATOM 1015 CG ARG A 65 12.623 7.313 8.430 1.00 0.00 C ATOM 1016 CD ARG A 65 13.368 8.580 8.037 1.00 0.00 C ATOM 1017 NE ARG A 65 14.677 8.666 8.679 1.00 0.00 N ATOM 1018 CZ ARG A 65 15.582 9.592 8.380 1.00 0.00 C ATOM 1019 NH1 ARG A 65 15.321 10.505 7.455 1.00 0.00 N ATOM 1020 NH2 ARG A 65 16.751 9.605 9.008 1.00 0.00 N ATOM 0 H ARG A 65 13.260 3.221 6.929 1.00 0.00 H new ATOM 0 HA ARG A 65 12.081 4.827 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.222 5.967 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.139 6.277 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.564 7.427 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.701 7.163 9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.493 8.606 6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.772 9.451 8.311 1.00 0.00 H new ATOM 0 HE ARG A 65 14.909 7.978 9.396 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.423 10.498 6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.018 11.214 7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.955 8.904 9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.445 10.316 8.778 1.00 0.00 H new ATOM 1034 N GLU A 66 10.018 4.591 7.725 1.00 0.00 N ATOM 1035 CA GLU A 66 8.773 4.473 6.974 1.00 0.00 C ATOM 1036 C GLU A 66 7.936 5.743 7.105 1.00 0.00 C ATOM 1037 O GLU A 66 8.087 6.502 8.063 1.00 0.00 O ATOM 1038 CB GLU A 66 7.969 3.267 7.464 1.00 0.00 C ATOM 1039 CG GLU A 66 7.600 3.338 8.936 1.00 0.00 C ATOM 1040 CD GLU A 66 6.708 4.521 9.258 1.00 0.00 C ATOM 1041 OE1 GLU A 66 5.623 4.629 8.651 1.00 0.00 O ATOM 1042 OE2 GLU A 66 7.097 5.339 10.118 1.00 0.00 O ATOM 0 H GLU A 66 9.901 4.593 8.738 1.00 0.00 H new ATOM 0 HA GLU A 66 9.024 4.331 5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.057 3.185 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.546 2.360 7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.094 2.417 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.510 3.401 9.532 1.00 0.00 H new ATOM 1049 N ILE A 67 7.056 5.966 6.135 1.00 0.00 N ATOM 1050 CA ILE A 67 6.195 7.143 6.142 1.00 0.00 C ATOM 1051 C ILE A 67 4.733 6.753 6.325 1.00 0.00 C ATOM 1052 O ILE A 67 4.104 6.219 5.412 1.00 0.00 O ATOM 1053 CB ILE A 67 6.340 7.953 4.840 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.767 8.488 4.702 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.336 9.096 4.814 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.712 7.519 4.026 1.00 0.00 C ATOM 0 H ILE A 67 6.920 5.348 5.335 1.00 0.00 H new ATOM 0 HA ILE A 67 6.511 7.761 6.982 1.00 0.00 H new ATOM 0 HB ILE A 67 6.136 7.295 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.745 9.418 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.154 8.729 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.450 9.660 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.325 8.693 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.513 9.755 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.705 7.964 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.764 6.597 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.349 7.297 3.023 1.00 0.00 H new ATOM 1068 N GLU A 68 4.197 7.025 7.511 1.00 0.00 N ATOM 1069 CA GLU A 68 2.807 6.704 7.813 1.00 0.00 C ATOM 1070 C GLU A 68 1.857 7.553 6.973 1.00 0.00 C ATOM 1071 O GLU A 68 1.724 8.758 7.192 1.00 0.00 O ATOM 1072 CB GLU A 68 2.522 6.920 9.300 1.00 0.00 C ATOM 1073 CG GLU A 68 3.110 8.208 9.852 1.00 0.00 C ATOM 1074 CD GLU A 68 2.337 8.739 11.043 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.157 9.109 10.868 1.00 0.00 O ATOM 1076 OE2 GLU A 68 2.912 8.785 12.151 1.00 0.00 O ATOM 0 H GLU A 68 4.704 7.467 8.278 1.00 0.00 H new ATOM 0 HA GLU A 68 2.642 5.655 7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.443 6.926 9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.922 6.077 9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.146 8.034 10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.123 8.963 9.066 1.00 0.00 H new ATOM 1083 N LEU A 69 1.199 6.917 6.010 1.00 0.00 N ATOM 1084 CA LEU A 69 0.262 7.613 5.135 1.00 0.00 C ATOM 1085 C LEU A 69 -1.054 7.889 5.857 1.00 0.00 C ATOM 1086 O LEU A 69 -1.867 6.986 6.050 1.00 0.00 O ATOM 1087 CB LEU A 69 0.001 6.788 3.874 1.00 0.00 C ATOM 1088 CG LEU A 69 1.219 6.096 3.261 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.788 5.104 2.192 1.00 0.00 C ATOM 1090 CD2 LEU A 69 2.180 7.124 2.682 1.00 0.00 C ATOM 0 H LEU A 69 1.297 5.921 5.815 1.00 0.00 H new ATOM 0 HA LEU A 69 0.708 8.567 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.744 6.028 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.438 7.442 3.120 1.00 0.00 H new ATOM 0 HG LEU A 69 1.736 5.547 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.668 4.621 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.139 4.349 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.247 5.629 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.041 6.614 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.673 7.700 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.515 7.795 3.473 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.255 9.143 6.251 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.473 9.537 6.950 1.00 0.00 C ATOM 1104 C GLU A 70 -3.489 10.132 5.979 1.00 0.00 C ATOM 1105 O GLU A 70 -4.695 9.957 6.143 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.150 10.548 8.052 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.505 11.824 7.536 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.892 12.657 8.646 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -1.535 12.795 9.707 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.230 13.170 8.452 1.00 0.00 O ATOM 0 H GLU A 70 -0.591 9.902 6.098 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.908 8.645 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.069 10.803 8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.484 10.082 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.733 11.569 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.253 12.418 7.011 1.00 0.00 H new ATOM 1117 N ASN A 71 -2.990 10.836 4.969 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.854 11.459 3.972 1.00 0.00 C ATOM 1119 C ASN A 71 -4.584 10.402 3.149 1.00 0.00 C ATOM 1120 O ASN A 71 -3.976 9.700 2.341 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.034 12.363 3.049 1.00 0.00 C ATOM 1122 CG ASN A 71 -2.514 13.596 3.761 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -1.739 13.497 4.713 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -2.939 14.768 3.302 1.00 0.00 N ATOM 0 H ASN A 71 -1.993 10.990 4.819 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.595 12.063 4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.194 11.799 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.650 12.668 2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.623 15.633 3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.581 14.803 2.510 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.892 10.296 3.359 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.706 9.326 2.636 1.00 0.00 C ATOM 1133 C ASP A 72 -7.208 9.912 1.320 1.00 0.00 C ATOM 1134 O ASP A 72 -7.706 9.189 0.456 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.891 8.881 3.496 1.00 0.00 C ATOM 1136 CG ASP A 72 -8.350 9.963 4.453 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -7.813 10.026 5.579 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -9.245 10.748 4.076 1.00 0.00 O ATOM 0 H ASP A 72 -6.411 10.870 4.024 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.083 8.460 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.720 8.597 2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.612 7.993 4.063 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.076 11.226 1.175 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.517 11.910 -0.036 1.00 0.00 C ATOM 1145 C LEU A 73 -6.333 12.228 -0.943 1.00 0.00 C ATOM 1146 O LEU A 73 -6.420 13.097 -1.811 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.259 13.198 0.324 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.645 13.022 0.946 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.269 14.376 1.250 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.545 12.213 0.023 1.00 0.00 C ATOM 0 H LEU A 73 -6.667 11.839 1.881 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.194 11.246 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.641 13.768 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.362 13.799 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.535 12.476 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.255 14.231 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.634 14.920 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.366 14.948 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.527 12.098 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.648 12.731 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.105 11.230 -0.144 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.228 11.518 -0.738 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.028 11.725 -1.539 1.00 0.00 C ATOM 1164 C GLN A 74 -3.515 10.403 -2.103 1.00 0.00 C ATOM 1165 O GLN A 74 -3.544 9.365 -1.441 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.937 12.391 -0.698 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.249 13.833 -0.329 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.002 14.795 -1.474 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.322 14.461 -2.445 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.554 15.998 -1.367 1.00 0.00 N ATOM 0 H GLN A 74 -5.139 10.795 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.286 12.379 -2.372 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.791 11.814 0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.996 12.361 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.290 13.907 -0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.638 14.126 0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.110 16.233 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.422 16.687 -2.107 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.035 10.440 -3.354 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.507 9.254 -4.035 1.00 0.00 C ATOM 1181 C PRO A 75 -1.186 8.783 -3.437 1.00 0.00 C ATOM 1182 O PRO A 75 -0.616 9.443 -2.567 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.302 9.733 -5.474 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.117 11.207 -5.361 1.00 0.00 C ATOM 1185 CD PRO A 75 -2.970 11.643 -4.202 1.00 0.00 C ATOM 0 HA PRO A 75 -3.179 8.400 -3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.432 9.259 -5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.161 9.489 -6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.070 11.457 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.420 11.710 -6.279 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.526 12.485 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.961 11.958 -4.529 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.702 7.640 -3.909 1.00 0.00 N ATOM 1194 CA LEU A 76 0.554 7.080 -3.422 1.00 0.00 C ATOM 1195 C LEU A 76 1.741 7.908 -3.902 1.00 0.00 C ATOM 1196 O LEU A 76 2.735 8.054 -3.192 1.00 0.00 O ATOM 1197 CB LEU A 76 0.705 5.631 -3.888 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.161 4.599 -3.165 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.180 4.562 -1.683 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.638 4.906 -3.367 1.00 0.00 C ATOM 0 H LEU A 76 -1.161 7.082 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 76 0.535 7.103 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.475 5.587 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.750 5.341 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 76 0.046 3.617 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.446 3.822 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.229 4.294 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.001 5.544 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.239 4.161 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.862 5.896 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.873 4.881 -4.431 1.00 0.00 H new ATOM 1212 N GLN A 77 1.629 8.448 -5.112 1.00 0.00 N ATOM 1213 CA GLN A 77 2.694 9.262 -5.686 1.00 0.00 C ATOM 1214 C GLN A 77 2.934 10.513 -4.848 1.00 0.00 C ATOM 1215 O GLN A 77 4.053 11.023 -4.783 1.00 0.00 O ATOM 1216 CB GLN A 77 2.345 9.655 -7.123 1.00 0.00 C ATOM 1217 CG GLN A 77 1.270 10.726 -7.217 1.00 0.00 C ATOM 1218 CD GLN A 77 1.036 11.194 -8.639 1.00 0.00 C ATOM 1219 OE1 GLN A 77 0.371 10.520 -9.426 1.00 0.00 O ATOM 1220 NE2 GLN A 77 1.583 12.356 -8.978 1.00 0.00 N ATOM 0 H GLN A 77 0.812 8.336 -5.713 1.00 0.00 H new ATOM 0 HA GLN A 77 3.609 8.669 -5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.246 10.012 -7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.011 8.769 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.338 10.336 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.556 11.578 -6.601 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.127 12.882 -8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.459 12.722 -9.922 1.00 0.00 H new ATOM 1229 N PHE A 78 1.878 11.003 -4.209 1.00 0.00 N ATOM 1230 CA PHE A 78 1.974 12.196 -3.375 1.00 0.00 C ATOM 1231 C PHE A 78 2.969 11.986 -2.238 1.00 0.00 C ATOM 1232 O PHE A 78 3.393 12.940 -1.585 1.00 0.00 O ATOM 1233 CB PHE A 78 0.600 12.558 -2.806 1.00 0.00 C ATOM 1234 CG PHE A 78 0.606 13.813 -1.980 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.603 15.058 -2.587 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.614 13.746 -0.596 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.609 16.214 -1.829 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.619 14.899 0.167 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.616 16.134 -0.450 1.00 0.00 C ATOM 0 H PHE A 78 0.945 10.593 -4.252 1.00 0.00 H new ATOM 0 HA PHE A 78 2.329 13.017 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.105 12.677 -3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.239 11.731 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.596 15.126 -3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.616 12.783 -0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.608 17.179 -2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.625 14.834 1.245 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.619 17.036 0.144 1.00 0.00 H new ATOM 1249 N TYR A 79 3.337 10.731 -2.006 1.00 0.00 N ATOM 1250 CA TYR A 79 4.280 10.394 -0.946 1.00 0.00 C ATOM 1251 C TYR A 79 5.600 9.900 -1.528 1.00 0.00 C ATOM 1252 O TYR A 79 6.347 9.173 -0.873 1.00 0.00 O ATOM 1253 CB TYR A 79 3.684 9.328 -0.025 1.00 0.00 C ATOM 1254 CG TYR A 79 2.696 9.877 0.979 1.00 0.00 C ATOM 1255 CD1 TYR A 79 3.127 10.402 2.191 1.00 0.00 C ATOM 1256 CD2 TYR A 79 1.332 9.872 0.714 1.00 0.00 C ATOM 1257 CE1 TYR A 79 2.227 10.904 3.111 1.00 0.00 C ATOM 1258 CE2 TYR A 79 0.426 10.374 1.628 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.878 10.888 2.825 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.021 11.389 3.739 1.00 0.00 O ATOM 0 H TYR A 79 2.997 9.930 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 79 4.475 11.297 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.188 8.571 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.492 8.829 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.183 10.418 2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.974 9.469 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.578 11.307 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.631 10.364 1.406 1.00 0.00 H new ATOM 0 HH TYR A 79 0.176 12.334 3.908 1.00 0.00 H new ATOM 1270 N SER A 80 5.882 10.302 -2.763 1.00 0.00 N ATOM 1271 CA SER A 80 7.111 9.898 -3.437 1.00 0.00 C ATOM 1272 C SER A 80 7.220 8.378 -3.502 1.00 0.00 C ATOM 1273 O SER A 80 8.319 7.824 -3.549 1.00 0.00 O ATOM 1274 CB SER A 80 8.328 10.478 -2.714 1.00 0.00 C ATOM 1275 OG SER A 80 9.491 10.384 -3.517 1.00 0.00 O ATOM 0 H SER A 80 5.276 10.907 -3.317 1.00 0.00 H new ATOM 0 HA SER A 80 7.083 10.287 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.141 11.521 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.486 9.945 -1.776 1.00 0.00 H new ATOM 0 HG SER A 80 9.595 9.463 -3.836 1.00 0.00 H new ATOM 1281 N VAL A 81 6.073 7.707 -3.504 1.00 0.00 N ATOM 1282 CA VAL A 81 6.038 6.251 -3.564 1.00 0.00 C ATOM 1283 C VAL A 81 6.209 5.756 -4.996 1.00 0.00 C ATOM 1284 O VAL A 81 5.388 6.046 -5.865 1.00 0.00 O ATOM 1285 CB VAL A 81 4.718 5.697 -2.995 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.644 4.190 -3.188 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.576 6.063 -1.526 1.00 0.00 C ATOM 0 H VAL A 81 5.155 8.149 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 81 6.867 5.889 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 81 3.889 6.150 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.705 3.817 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.696 3.956 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.478 3.716 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.638 5.664 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.409 5.640 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.580 7.148 -1.419 1.00 0.00 H new ATOM 1297 N GLU A 82 7.281 5.006 -5.233 1.00 0.00 N ATOM 1298 CA GLU A 82 7.560 4.471 -6.560 1.00 0.00 C ATOM 1299 C GLU A 82 7.750 2.958 -6.508 1.00 0.00 C ATOM 1300 O GLU A 82 7.933 2.382 -5.436 1.00 0.00 O ATOM 1301 CB GLU A 82 8.807 5.133 -7.150 1.00 0.00 C ATOM 1302 CG GLU A 82 10.097 4.728 -6.456 1.00 0.00 C ATOM 1303 CD GLU A 82 11.298 4.779 -7.381 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.820 5.889 -7.614 1.00 0.00 O ATOM 1305 OE2 GLU A 82 11.715 3.709 -7.870 1.00 0.00 O ATOM 0 H GLU A 82 7.970 4.756 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 82 6.705 4.691 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.878 4.878 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.696 6.216 -7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.270 5.387 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.991 3.718 -6.060 1.00 0.00 H new ATOM 1312 N ASN A 83 7.705 2.321 -7.673 1.00 0.00 N ATOM 1313 CA ASN A 83 7.871 0.875 -7.761 1.00 0.00 C ATOM 1314 C ASN A 83 9.154 0.431 -7.063 1.00 0.00 C ATOM 1315 O ASN A 83 10.200 1.062 -7.206 1.00 0.00 O ATOM 1316 CB ASN A 83 7.895 0.431 -9.225 1.00 0.00 C ATOM 1317 CG ASN A 83 9.235 0.688 -9.886 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.930 -0.245 -10.290 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.605 1.958 -9.998 1.00 0.00 N ATOM 0 H ASN A 83 7.555 2.783 -8.570 1.00 0.00 H new ATOM 0 HA ASN A 83 7.024 0.406 -7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.663 -0.632 -9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.115 0.958 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.497 2.193 -10.433 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.997 2.699 -9.649 1.00 0.00 H new ATOM 1326 N GLY A 84 9.063 -0.659 -6.308 1.00 0.00 N ATOM 1327 CA GLY A 84 10.223 -1.169 -5.599 1.00 0.00 C ATOM 1328 C GLY A 84 10.092 -1.027 -4.096 1.00 0.00 C ATOM 1329 O GLY A 84 10.521 -1.902 -3.343 1.00 0.00 O ATOM 0 H GLY A 84 8.208 -1.198 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.366 -2.220 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.113 -0.637 -5.935 1.00 0.00 H new ATOM 1333 N ASP A 85 9.499 0.078 -3.657 1.00 0.00 N ATOM 1334 CA ASP A 85 9.314 0.332 -2.233 1.00 0.00 C ATOM 1335 C ASP A 85 8.508 -0.788 -1.581 1.00 0.00 C ATOM 1336 O ASP A 85 7.954 -1.648 -2.268 1.00 0.00 O ATOM 1337 CB ASP A 85 8.610 1.673 -2.020 1.00 0.00 C ATOM 1338 CG ASP A 85 9.390 2.835 -2.604 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.116 2.622 -3.598 1.00 0.00 O ATOM 1340 OD2 ASP A 85 9.272 3.957 -2.069 1.00 0.00 O ATOM 0 H ASP A 85 9.138 0.812 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 85 10.298 0.368 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.621 1.637 -2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.463 1.838 -0.953 1.00 0.00 H new ATOM 1345 N CYS A 86 8.448 -0.772 -0.255 1.00 0.00 N ATOM 1346 CA CYS A 86 7.712 -1.787 0.490 1.00 0.00 C ATOM 1347 C CYS A 86 6.486 -1.183 1.167 1.00 0.00 C ATOM 1348 O CYS A 86 6.496 -0.019 1.570 1.00 0.00 O ATOM 1349 CB CYS A 86 8.618 -2.439 1.536 1.00 0.00 C ATOM 1350 SG CYS A 86 9.672 -3.754 0.882 1.00 0.00 S ATOM 0 H CYS A 86 8.900 -0.067 0.327 1.00 0.00 H new ATOM 0 HA CYS A 86 7.377 -2.548 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.249 -1.671 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.998 -2.848 2.334 1.00 0.00 H new ATOM 0 HG CYS A 86 10.402 -4.242 1.840 1.00 0.00 H new ATOM 1356 N LEU A 87 5.431 -1.980 1.288 1.00 0.00 N ATOM 1357 CA LEU A 87 4.195 -1.524 1.915 1.00 0.00 C ATOM 1358 C LEU A 87 4.021 -2.149 3.295 1.00 0.00 C ATOM 1359 O LEU A 87 4.121 -3.367 3.454 1.00 0.00 O ATOM 1360 CB LEU A 87 2.994 -1.868 1.031 1.00 0.00 C ATOM 1361 CG LEU A 87 2.730 -0.923 -0.141 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.332 -1.142 -0.699 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.912 0.525 0.291 1.00 0.00 C ATOM 0 H LEU A 87 5.406 -2.946 0.960 1.00 0.00 H new ATOM 0 HA LEU A 87 4.254 -0.442 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.136 -2.874 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.103 -1.895 1.658 1.00 0.00 H new ATOM 0 HG LEU A 87 3.452 -1.141 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.162 -0.461 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.236 -2.171 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.595 -0.952 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.720 1.184 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.214 0.755 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.933 0.674 0.643 1.00 0.00 H new ATOM 1375 N LEU A 88 3.759 -1.310 4.290 1.00 0.00 N ATOM 1376 CA LEU A 88 3.569 -1.780 5.658 1.00 0.00 C ATOM 1377 C LEU A 88 2.143 -1.516 6.131 1.00 0.00 C ATOM 1378 O LEU A 88 1.769 -0.376 6.405 1.00 0.00 O ATOM 1379 CB LEU A 88 4.564 -1.096 6.597 1.00 0.00 C ATOM 1380 CG LEU A 88 6.026 -1.105 6.147 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.791 0.037 6.796 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.677 -2.441 6.477 1.00 0.00 C ATOM 0 H LEU A 88 3.673 -0.300 4.176 1.00 0.00 H new ATOM 0 HA LEU A 88 3.745 -2.856 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.253 -0.060 6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.502 -1.577 7.573 1.00 0.00 H new ATOM 0 HG LEU A 88 6.055 -0.966 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.829 0.015 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.339 0.987 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.754 -0.070 7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.717 -2.430 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.637 -2.609 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.144 -3.242 5.964 1.00 0.00 H new ATOM 1394 N VAL A 89 1.350 -2.580 6.227 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.034 -2.464 6.670 1.00 0.00 C ATOM 1396 C VAL A 89 -0.161 -2.765 8.159 1.00 0.00 C ATOM 1397 O VAL A 89 -0.036 -3.914 8.584 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.956 -3.415 5.885 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.376 -3.351 6.427 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.928 -3.080 4.401 1.00 0.00 C ATOM 0 H VAL A 89 1.643 -3.531 6.004 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.341 -1.435 6.483 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.590 -4.434 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.013 -4.030 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.378 -3.644 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.756 -2.334 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.585 -3.762 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.268 -2.055 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.090 -3.183 4.024 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.410 -1.725 8.948 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.553 -1.878 10.391 1.00 0.00 C ATOM 1412 C ARG A 90 -1.842 -1.224 10.882 1.00 0.00 C ATOM 1413 O ARG A 90 -2.335 -0.271 10.278 1.00 0.00 O ATOM 1414 CB ARG A 90 0.649 -1.264 11.112 1.00 0.00 C ATOM 1415 CG ARG A 90 0.661 -1.529 12.609 1.00 0.00 C ATOM 1416 CD ARG A 90 1.381 -0.423 13.364 1.00 0.00 C ATOM 1417 NE ARG A 90 2.828 -0.489 13.184 1.00 0.00 N ATOM 1418 CZ ARG A 90 3.675 0.390 13.708 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.221 1.396 14.443 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.980 0.262 13.499 1.00 0.00 N ATOM 0 H ARG A 90 -0.517 -0.768 8.613 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.598 -2.944 10.615 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.566 -1.659 10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.653 -0.187 10.942 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.363 -1.613 12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.149 -2.483 12.807 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.017 0.546 13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.144 -0.495 14.426 1.00 0.00 H new ATOM 0 HE ARG A 90 3.210 -1.252 12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.219 1.496 14.607 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.873 2.070 14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.333 -0.512 12.936 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.630 0.937 13.902 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.382 -1.743 11.978 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.613 -1.210 12.549 1.00 0.00 C ATOM 1436 C TRP A 91 -3.618 -1.357 14.067 1.00 0.00 C ATOM 1437 O TRP A 91 -3.081 -2.323 14.608 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.827 -1.925 11.953 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.867 -3.390 12.265 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.385 -3.975 13.386 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.368 -4.455 11.449 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.238 -5.339 13.315 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.617 -5.659 12.136 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.736 -4.508 10.204 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.255 -6.899 11.618 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.377 -5.740 9.691 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.638 -6.922 10.397 1.00 0.00 C ATOM 0 H TRP A 91 -1.987 -2.532 12.489 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.667 -0.149 12.305 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.736 -1.456 12.329 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.823 -1.791 10.871 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.843 -3.443 14.207 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.542 -6.006 14.025 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.532 -3.602 9.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.454 -7.811 12.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.887 -5.793 8.730 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.346 -7.870 9.969 1.00 0.00 H new ATOM 1458 N SER A 92 -4.226 -0.391 14.749 1.00 0.00 N ATOM 1459 CA SER A 92 -4.296 -0.411 16.205 1.00 0.00 C ATOM 1460 C SER A 92 -5.552 -1.138 16.678 1.00 0.00 C ATOM 1461 O SER A 92 -6.607 -1.050 16.052 1.00 0.00 O ATOM 1462 CB SER A 92 -4.281 1.015 16.757 1.00 0.00 C ATOM 1463 OG SER A 92 -4.350 1.015 18.173 1.00 0.00 O ATOM 0 H SER A 92 -4.677 0.415 14.316 1.00 0.00 H new ATOM 0 HA SER A 92 -3.424 -0.947 16.579 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.373 1.524 16.434 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.122 1.575 16.349 1.00 0.00 H new ATOM 0 HG SER A 92 -4.337 1.938 18.501 1.00 0.00 H new ATOM 1469 N GLY A 93 -5.428 -1.858 17.789 1.00 0.00 N ATOM 1470 CA GLY A 93 -6.559 -2.591 18.329 1.00 0.00 C ATOM 1471 C GLY A 93 -6.947 -3.775 17.466 1.00 0.00 C ATOM 1472 O GLY A 93 -7.873 -3.705 16.659 1.00 0.00 O ATOM 0 H GLY A 93 -4.565 -1.947 18.325 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.316 -2.941 19.332 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.412 -1.919 18.424 1.00 0.00 H new ATOM 1476 N PRO A 94 -6.226 -4.894 17.632 1.00 0.00 N ATOM 1477 CA PRO A 94 -6.481 -6.120 16.870 1.00 0.00 C ATOM 1478 C PRO A 94 -7.792 -6.789 17.269 1.00 0.00 C ATOM 1479 O PRO A 94 -8.338 -7.601 16.522 1.00 0.00 O ATOM 1480 CB PRO A 94 -5.293 -7.016 17.230 1.00 0.00 C ATOM 1481 CG PRO A 94 -4.843 -6.529 18.565 1.00 0.00 C ATOM 1482 CD PRO A 94 -5.107 -5.049 18.576 1.00 0.00 C ATOM 0 HA PRO A 94 -6.576 -5.923 15.802 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.586 -8.065 17.269 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.497 -6.935 16.490 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -5.387 -7.029 19.366 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.785 -6.738 18.720 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.371 -4.695 19.573 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.232 -4.483 18.258 1.00 0.00 H new ATOM 1490 N SER A 95 -8.292 -6.442 18.450 1.00 0.00 N ATOM 1491 CA SER A 95 -9.539 -7.011 18.950 1.00 0.00 C ATOM 1492 C SER A 95 -10.511 -5.911 19.365 1.00 0.00 C ATOM 1493 O SER A 95 -10.399 -5.347 20.454 1.00 0.00 O ATOM 1494 CB SER A 95 -9.262 -7.937 20.136 1.00 0.00 C ATOM 1495 OG SER A 95 -8.332 -8.948 19.787 1.00 0.00 O ATOM 0 H SER A 95 -7.853 -5.770 19.079 1.00 0.00 H new ATOM 0 HA SER A 95 -9.994 -7.589 18.145 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.875 -7.356 20.973 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.193 -8.395 20.470 1.00 0.00 H new ATOM 0 HG SER A 95 -8.170 -9.526 20.562 1.00 0.00 H new ATOM 1501 N SER A 96 -11.464 -5.610 18.488 1.00 0.00 N ATOM 1502 CA SER A 96 -12.454 -4.575 18.761 1.00 0.00 C ATOM 1503 C SER A 96 -13.868 -5.145 18.696 1.00 0.00 C ATOM 1504 O SER A 96 -14.633 -5.047 19.654 1.00 0.00 O ATOM 1505 CB SER A 96 -12.309 -3.426 17.762 1.00 0.00 C ATOM 1506 OG SER A 96 -13.193 -2.363 18.075 1.00 0.00 O ATOM 0 H SER A 96 -11.571 -6.068 17.583 1.00 0.00 H new ATOM 0 HA SER A 96 -12.280 -4.196 19.768 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.281 -3.062 17.768 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.513 -3.788 16.754 1.00 0.00 H new ATOM 0 HG SER A 96 -13.080 -1.640 17.423 1.00 0.00 H new ATOM 1512 N GLY A 97 -14.207 -5.742 17.558 1.00 0.00 N ATOM 1513 CA GLY A 97 -15.528 -6.319 17.388 1.00 0.00 C ATOM 1514 C GLY A 97 -15.690 -7.011 16.048 1.00 0.00 C ATOM 1515 O GLY A 97 -16.707 -7.657 15.795 1.00 0.00 O ATOM 0 H GLY A 97 -13.591 -5.837 16.751 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -15.714 -7.035 18.188 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -16.279 -5.534 17.481 1.00 0.00 H new TER 1519 GLY A 97