USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 805 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 109 LYS NZ :NH3+ 176:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 123 ASN : amide:sc= 1.03 K(o=2.2,f=-4.6) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -113:sc= 1.25 (180deg=0.306) USER MOD Set 2.2: A 64 ASN : amide:sc= 0.541 K(o=1.8,f=-3.2) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 30 TYR OH : rot -111:sc= 0.961 USER MOD Single : A 33 THR OG1 : rot 79:sc= 1.73 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot -157:sc= 0.648 USER MOD Single : A 43 TYR OH : rot -135:sc= 1.05 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -179:sc= 1.05 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 43:sc= 0.131 USER MOD Single : A 54 THR OG1 : rot 48:sc= 0.376 USER MOD Single : A 57 SER OG : rot 121:sc= 0.484 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -0.045 (180deg=-0.293) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.69) USER MOD Single : A 80 ASN : amide:sc= -1.64! K(o=-1.6!,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0733 USER MOD Single : A 82 THR OG1 : rot -74:sc= 1.01 USER MOD Single : A 86 THR OG1 : rot 114:sc= 1.15 USER MOD Single : A 90 HIS : no HE2:sc= 0.049 K(o=0.049,f=-0.61) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= 0.992 (180deg=0.516) USER MOD Single : A 100 SER OG : rot 75:sc= 0.986 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 132:sc= 0.459 USER MOD Single : A 107 SER OG : rot -76:sc= 1.41 USER MOD Single : A 113 GLN : amide:sc= 0.938 K(o=0.94,f=-0.17) USER MOD Single : A 114 THR OG1 : rot 132:sc= 0.383 USER MOD Single : A 115 LYS NZ :NH3+ 165:sc=-0.00844 (180deg=-0.182) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.553 K(o=-0.55,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 3.758 16.614 4.796 1.00 0.00 N ATOM 2 CA GLY A 19 2.562 16.755 5.617 1.00 0.00 C ATOM 3 C GLY A 19 2.848 16.341 7.033 1.00 0.00 C ATOM 4 O GLY A 19 3.598 15.389 7.255 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.218 17.789 5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.758 16.143 5.208 1.00 0.00 H new ATOM 10 N ALA A 20 2.237 17.021 7.983 1.00 0.00 N ATOM 11 CA ALA A 20 2.453 16.770 9.395 1.00 0.00 C ATOM 12 C ALA A 20 1.837 15.446 9.801 1.00 0.00 C ATOM 13 O ALA A 20 2.414 14.689 10.575 1.00 0.00 O ATOM 14 CB ALA A 20 1.868 17.904 10.226 1.00 0.00 C ATOM 0 H ALA A 20 1.571 17.770 7.795 1.00 0.00 H new ATOM 0 HA ALA A 20 3.526 16.719 9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.036 17.704 11.284 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.351 18.842 9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.797 17.979 10.037 1.00 0.00 H new ATOM 20 N ASP A 21 0.675 15.148 9.252 1.00 0.00 N ATOM 21 CA ASP A 21 0.002 13.891 9.569 1.00 0.00 C ATOM 22 C ASP A 21 0.326 12.835 8.546 1.00 0.00 C ATOM 23 O ASP A 21 -0.169 11.705 8.605 1.00 0.00 O ATOM 24 CB ASP A 21 -1.511 14.048 9.715 1.00 0.00 C ATOM 25 CG ASP A 21 -1.921 14.859 10.911 1.00 0.00 C ATOM 26 OD1 ASP A 21 -1.576 14.490 12.049 1.00 0.00 O ATOM 27 OD2 ASP A 21 -2.633 15.868 10.746 1.00 0.00 O ATOM 0 H ASP A 21 0.178 15.746 8.592 1.00 0.00 H new ATOM 0 HA ASP A 21 0.383 13.574 10.540 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.907 14.518 8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.965 13.059 9.784 1.00 0.00 H new ATOM 32 N SER A 22 1.142 13.189 7.608 1.00 0.00 N ATOM 33 CA SER A 22 1.594 12.260 6.631 1.00 0.00 C ATOM 34 C SER A 22 2.844 11.616 7.186 1.00 0.00 C ATOM 35 O SER A 22 3.776 12.314 7.572 1.00 0.00 O ATOM 36 CB SER A 22 1.926 13.001 5.350 1.00 0.00 C ATOM 37 OG SER A 22 0.851 13.825 4.949 1.00 0.00 O ATOM 0 H SER A 22 1.513 14.133 7.499 1.00 0.00 H new ATOM 0 HA SER A 22 0.833 11.511 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.819 13.608 5.498 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.155 12.285 4.560 1.00 0.00 H new ATOM 0 HG SER A 22 1.089 14.294 4.122 1.00 0.00 H new ATOM 43 N CYS A 23 2.862 10.329 7.267 1.00 0.00 N ATOM 44 CA CYS A 23 4.008 9.663 7.788 1.00 0.00 C ATOM 45 C CYS A 23 4.683 8.841 6.711 1.00 0.00 C ATOM 46 O CYS A 23 4.015 8.259 5.829 1.00 0.00 O ATOM 47 CB CYS A 23 3.640 8.816 9.018 1.00 0.00 C ATOM 48 SG CYS A 23 2.311 7.603 8.732 1.00 0.00 S ATOM 0 H CYS A 23 2.098 9.717 6.980 1.00 0.00 H new ATOM 0 HA CYS A 23 4.725 10.414 8.121 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.530 8.287 9.358 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.338 9.483 9.825 1.00 0.00 H new ATOM 53 N LYS A 24 5.992 8.857 6.735 1.00 0.00 N ATOM 54 CA LYS A 24 6.806 8.079 5.829 1.00 0.00 C ATOM 55 C LYS A 24 6.694 6.608 6.205 1.00 0.00 C ATOM 56 O LYS A 24 6.587 6.291 7.389 1.00 0.00 O ATOM 57 CB LYS A 24 8.262 8.552 5.943 1.00 0.00 C ATOM 58 CG LYS A 24 8.471 9.996 5.502 1.00 0.00 C ATOM 59 CD LYS A 24 8.495 10.130 3.987 1.00 0.00 C ATOM 60 CE LYS A 24 9.815 9.660 3.410 1.00 0.00 C ATOM 61 NZ LYS A 24 10.961 10.448 3.906 1.00 0.00 N ATOM 0 H LYS A 24 6.532 9.418 7.393 1.00 0.00 H new ATOM 0 HA LYS A 24 6.468 8.209 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.590 8.446 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.895 7.901 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.674 10.618 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.409 10.369 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.680 9.548 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.325 11.170 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.964 8.610 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.777 9.725 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.372 10.995 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.639 11.099 4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.681 9.806 4.295 1.00 0.00 H new ATOM 75 N TYR A 25 6.681 5.724 5.194 1.00 0.00 N ATOM 76 CA TYR A 25 6.610 4.257 5.404 1.00 0.00 C ATOM 77 C TYR A 25 5.258 3.827 5.948 1.00 0.00 C ATOM 78 O TYR A 25 5.146 2.847 6.690 1.00 0.00 O ATOM 79 CB TYR A 25 7.760 3.749 6.305 1.00 0.00 C ATOM 80 CG TYR A 25 9.115 3.740 5.637 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.780 2.547 5.422 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.719 4.914 5.210 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.012 2.519 4.812 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.942 4.904 4.597 1.00 0.00 C ATOM 85 CZ TYR A 25 11.594 3.698 4.399 1.00 0.00 C ATOM 86 OH TYR A 25 12.838 3.679 3.797 1.00 0.00 O ATOM 0 H TYR A 25 6.719 5.997 4.212 1.00 0.00 H new ATOM 0 HA TYR A 25 6.731 3.794 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.811 4.375 7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.525 2.738 6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.324 1.621 5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.213 5.855 5.365 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.520 1.579 4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.395 5.828 4.270 1.00 0.00 H new ATOM 0 HH TYR A 25 12.957 2.832 3.318 1.00 0.00 H new ATOM 96 N CYS A 26 4.239 4.528 5.535 1.00 0.00 N ATOM 97 CA CYS A 26 2.895 4.214 5.928 1.00 0.00 C ATOM 98 C CYS A 26 2.062 4.025 4.681 1.00 0.00 C ATOM 99 O CYS A 26 2.309 4.677 3.666 1.00 0.00 O ATOM 100 CB CYS A 26 2.294 5.361 6.731 1.00 0.00 C ATOM 101 SG CYS A 26 3.297 5.936 8.128 1.00 0.00 S ATOM 0 H CYS A 26 4.318 5.334 4.915 1.00 0.00 H new ATOM 0 HA CYS A 26 2.905 3.311 6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.120 6.202 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.320 5.048 7.108 1.00 0.00 H new ATOM 106 N LEU A 27 1.119 3.138 4.745 1.00 0.00 N ATOM 107 CA LEU A 27 0.187 2.935 3.671 1.00 0.00 C ATOM 108 C LEU A 27 -1.054 3.691 4.029 1.00 0.00 C ATOM 109 O LEU A 27 -1.643 3.451 5.093 1.00 0.00 O ATOM 110 CB LEU A 27 -0.130 1.448 3.508 1.00 0.00 C ATOM 111 CG LEU A 27 -1.088 1.040 2.390 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.581 1.462 1.030 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.292 -0.435 2.418 1.00 0.00 C ATOM 0 H LEU A 27 0.970 2.528 5.549 1.00 0.00 H new ATOM 0 HA LEU A 27 0.603 3.285 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.811 0.921 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.543 1.089 4.450 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.036 1.550 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.292 1.152 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.469 2.546 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.384 0.993 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.976 -0.723 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.335 -0.937 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.715 -0.726 3.380 1.00 0.00 H new ATOM 125 N GLN A 28 -1.427 4.632 3.213 1.00 0.00 N ATOM 126 CA GLN A 28 -2.601 5.395 3.499 1.00 0.00 C ATOM 127 C GLN A 28 -3.632 5.098 2.463 1.00 0.00 C ATOM 128 O GLN A 28 -3.381 5.212 1.248 1.00 0.00 O ATOM 129 CB GLN A 28 -2.272 6.875 3.493 1.00 0.00 C ATOM 130 CG GLN A 28 -1.196 7.261 4.497 1.00 0.00 C ATOM 131 CD GLN A 28 -0.680 8.667 4.282 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.412 9.549 3.845 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.589 8.880 4.543 1.00 0.00 N ATOM 0 H GLN A 28 -0.940 4.886 2.353 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.982 5.128 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.945 7.163 2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.178 7.442 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.598 7.176 5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.366 6.558 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.169 8.123 4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.995 9.802 4.383 1.00 0.00 H new ATOM 142 N LEU A 29 -4.760 4.689 2.922 1.00 0.00 N ATOM 143 CA LEU A 29 -5.856 4.405 2.068 1.00 0.00 C ATOM 144 C LEU A 29 -6.910 5.452 2.261 1.00 0.00 C ATOM 145 O LEU A 29 -7.258 5.761 3.400 1.00 0.00 O ATOM 146 CB LEU A 29 -6.392 3.002 2.308 1.00 0.00 C ATOM 147 CG LEU A 29 -5.351 1.878 2.179 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.811 1.432 3.529 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.894 0.718 1.413 1.00 0.00 C ATOM 0 H LEU A 29 -4.950 4.540 3.913 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.525 4.432 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.827 2.961 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.199 2.812 1.601 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.513 2.293 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.080 0.637 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.335 2.276 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.631 1.063 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.133 -0.059 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.770 0.321 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.177 1.043 0.412 1.00 0.00 H new ATOM 161 N TYR A 30 -7.393 5.999 1.184 1.00 0.00 N ATOM 162 CA TYR A 30 -8.360 7.075 1.222 1.00 0.00 C ATOM 163 C TYR A 30 -9.754 6.532 1.208 1.00 0.00 C ATOM 164 O TYR A 30 -9.997 5.429 0.711 1.00 0.00 O ATOM 165 CB TYR A 30 -8.170 8.001 0.040 1.00 0.00 C ATOM 166 CG TYR A 30 -6.836 8.693 0.005 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.693 10.004 0.433 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.718 8.035 -0.474 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.467 10.635 0.372 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.503 8.648 -0.525 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.377 9.945 -0.106 1.00 0.00 C ATOM 172 OH TYR A 30 -3.153 10.567 -0.217 1.00 0.00 O ATOM 0 H TYR A 30 -7.129 5.713 0.241 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.204 7.634 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.293 7.428 -0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.957 8.755 0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.550 10.537 0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.810 7.014 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.364 11.660 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.641 8.112 -0.895 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.928 10.679 -1.164 1.00 0.00 H new ATOM 182 N ASP A 31 -10.669 7.307 1.706 1.00 0.00 N ATOM 183 CA ASP A 31 -12.048 6.877 1.819 1.00 0.00 C ATOM 184 C ASP A 31 -12.737 6.943 0.466 1.00 0.00 C ATOM 185 O ASP A 31 -13.470 6.028 0.072 1.00 0.00 O ATOM 186 CB ASP A 31 -12.780 7.738 2.847 1.00 0.00 C ATOM 187 CG ASP A 31 -14.193 7.280 3.137 1.00 0.00 C ATOM 188 OD1 ASP A 31 -15.141 7.730 2.456 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.387 6.513 4.105 1.00 0.00 O ATOM 0 H ASP A 31 -10.492 8.252 2.047 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.070 5.841 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.211 7.739 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.808 8.767 2.490 1.00 0.00 H new ATOM 194 N GLU A 32 -12.461 7.992 -0.251 1.00 0.00 N ATOM 195 CA GLU A 32 -13.011 8.207 -1.558 1.00 0.00 C ATOM 196 C GLU A 32 -11.892 8.131 -2.573 1.00 0.00 C ATOM 197 O GLU A 32 -10.741 7.940 -2.204 1.00 0.00 O ATOM 198 CB GLU A 32 -13.681 9.569 -1.621 1.00 0.00 C ATOM 199 CG GLU A 32 -14.938 9.703 -0.791 1.00 0.00 C ATOM 200 CD GLU A 32 -15.419 11.131 -0.714 1.00 0.00 C ATOM 201 OE1 GLU A 32 -15.496 11.680 0.401 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.697 11.751 -1.754 1.00 0.00 O ATOM 0 H GLU A 32 -11.836 8.736 0.061 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.758 7.444 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.966 10.324 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.925 9.789 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.723 9.079 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.748 9.330 0.216 1.00 0.00 H new ATOM 209 N THR A 33 -12.226 8.256 -3.824 1.00 0.00 N ATOM 210 CA THR A 33 -11.262 8.201 -4.891 1.00 0.00 C ATOM 211 C THR A 33 -10.593 9.563 -5.064 1.00 0.00 C ATOM 212 O THR A 33 -10.983 10.521 -4.404 1.00 0.00 O ATOM 213 CB THR A 33 -11.990 7.793 -6.190 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.281 8.424 -6.216 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.196 6.307 -6.285 1.00 0.00 C ATOM 0 H THR A 33 -13.185 8.401 -4.139 1.00 0.00 H new ATOM 0 HA THR A 33 -10.489 7.469 -4.657 1.00 0.00 H new ATOM 0 HB THR A 33 -11.368 8.108 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.182 9.361 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.712 6.070 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.229 5.804 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.797 5.968 -5.441 1.00 0.00 H new ATOM 223 N TYR A 34 -9.589 9.637 -5.956 1.00 0.00 N ATOM 224 CA TYR A 34 -8.855 10.883 -6.291 1.00 0.00 C ATOM 225 C TYR A 34 -8.410 11.680 -5.065 1.00 0.00 C ATOM 226 O TYR A 34 -8.487 12.909 -5.046 1.00 0.00 O ATOM 227 CB TYR A 34 -9.576 11.766 -7.379 1.00 0.00 C ATOM 228 CG TYR A 34 -11.039 12.062 -7.125 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.452 13.234 -6.521 1.00 0.00 C ATOM 230 CD2 TYR A 34 -12.000 11.138 -7.471 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.791 13.461 -6.267 1.00 0.00 C ATOM 232 CE2 TYR A 34 -13.322 11.353 -7.227 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.720 12.508 -6.622 1.00 0.00 C ATOM 234 OH TYR A 34 -15.051 12.712 -6.366 1.00 0.00 O ATOM 0 H TYR A 34 -9.256 8.825 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.932 10.545 -6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.043 12.713 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.488 11.264 -8.343 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.721 13.980 -6.245 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.697 10.218 -7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.107 14.379 -5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.053 10.611 -7.512 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.567 11.941 -6.682 1.00 0.00 H new ATOM 244 N GLU A 35 -7.951 10.946 -4.046 1.00 0.00 N ATOM 245 CA GLU A 35 -7.396 11.501 -2.798 1.00 0.00 C ATOM 246 C GLU A 35 -8.473 12.260 -1.993 1.00 0.00 C ATOM 247 O GLU A 35 -8.176 13.158 -1.190 1.00 0.00 O ATOM 248 CB GLU A 35 -6.171 12.397 -3.094 1.00 0.00 C ATOM 249 CG GLU A 35 -5.113 11.741 -4.000 1.00 0.00 C ATOM 250 CD GLU A 35 -4.581 10.427 -3.475 1.00 0.00 C ATOM 251 OE1 GLU A 35 -3.434 10.418 -2.931 1.00 0.00 O ATOM 252 OE2 GLU A 35 -5.293 9.393 -3.589 1.00 0.00 O ATOM 0 H GLU A 35 -7.953 9.926 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.059 10.669 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.514 13.319 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.702 12.676 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.546 11.577 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.280 12.433 -4.128 1.00 0.00 H new ATOM 259 N ARG A 36 -9.709 11.866 -2.188 1.00 0.00 N ATOM 260 CA ARG A 36 -10.826 12.448 -1.486 1.00 0.00 C ATOM 261 C ARG A 36 -11.116 11.725 -0.183 1.00 0.00 C ATOM 262 O ARG A 36 -10.920 10.508 -0.055 1.00 0.00 O ATOM 263 CB ARG A 36 -12.080 12.460 -2.355 1.00 0.00 C ATOM 264 CG ARG A 36 -12.396 13.768 -3.048 1.00 0.00 C ATOM 265 CD ARG A 36 -12.762 14.828 -2.042 1.00 0.00 C ATOM 266 NE ARG A 36 -13.752 14.319 -1.077 1.00 0.00 N ATOM 267 CZ ARG A 36 -13.946 14.807 0.148 1.00 0.00 C ATOM 268 NH1 ARG A 36 -13.376 15.946 0.518 1.00 0.00 N ATOM 269 NH2 ARG A 36 -14.709 14.147 0.995 1.00 0.00 N ATOM 0 H ARG A 36 -9.969 11.128 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.545 13.475 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.979 11.685 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.932 12.187 -1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.534 14.094 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.219 13.625 -3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.868 15.156 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.165 15.700 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.333 13.533 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.783 16.456 -0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.530 16.312 1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.146 13.270 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.863 14.513 1.935 1.00 0.00 H new ATOM 283 N GLY A 37 -11.583 12.477 0.771 1.00 0.00 N ATOM 284 CA GLY A 37 -11.962 11.935 2.027 1.00 0.00 C ATOM 285 C GLY A 37 -10.814 11.930 2.987 1.00 0.00 C ATOM 286 O GLY A 37 -9.834 12.672 2.810 1.00 0.00 O ATOM 0 H GLY A 37 -11.709 13.486 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.784 12.517 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.329 10.918 1.890 1.00 0.00 H new ATOM 290 N SER A 38 -10.929 11.135 3.995 1.00 0.00 N ATOM 291 CA SER A 38 -9.884 10.964 4.944 1.00 0.00 C ATOM 292 C SER A 38 -9.102 9.710 4.570 1.00 0.00 C ATOM 293 O SER A 38 -9.405 9.074 3.556 1.00 0.00 O ATOM 294 CB SER A 38 -10.479 10.858 6.341 1.00 0.00 C ATOM 295 OG SER A 38 -11.280 12.003 6.625 1.00 0.00 O ATOM 0 H SER A 38 -11.762 10.578 4.185 1.00 0.00 H new ATOM 0 HA SER A 38 -9.206 11.818 4.938 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.083 9.954 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.681 10.772 7.078 1.00 0.00 H new ATOM 0 HG SER A 38 -11.658 11.922 7.525 1.00 0.00 H new ATOM 301 N TYR A 39 -8.131 9.353 5.362 1.00 0.00 N ATOM 302 CA TYR A 39 -7.308 8.212 5.072 1.00 0.00 C ATOM 303 C TYR A 39 -6.986 7.491 6.360 1.00 0.00 C ATOM 304 O TYR A 39 -7.150 8.054 7.453 1.00 0.00 O ATOM 305 CB TYR A 39 -6.004 8.640 4.348 1.00 0.00 C ATOM 306 CG TYR A 39 -5.116 9.541 5.173 1.00 0.00 C ATOM 307 CD1 TYR A 39 -5.321 10.907 5.200 1.00 0.00 C ATOM 308 CD2 TYR A 39 -4.092 9.015 5.945 1.00 0.00 C ATOM 309 CE1 TYR A 39 -4.539 11.722 5.971 1.00 0.00 C ATOM 310 CE2 TYR A 39 -3.296 9.820 6.714 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.524 11.179 6.726 1.00 0.00 C ATOM 312 OH TYR A 39 -2.762 11.997 7.523 1.00 0.00 O ATOM 0 H TYR A 39 -7.888 9.842 6.224 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.852 7.541 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.443 7.747 4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.265 9.152 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.111 11.338 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.919 7.949 5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.717 12.787 5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.498 9.395 7.305 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.895 11.573 7.693 1.00 0.00 H new ATOM 322 N ILE A 40 -6.497 6.304 6.235 1.00 0.00 N ATOM 323 CA ILE A 40 -6.144 5.481 7.362 1.00 0.00 C ATOM 324 C ILE A 40 -4.626 5.296 7.357 1.00 0.00 C ATOM 325 O ILE A 40 -3.995 5.415 6.304 1.00 0.00 O ATOM 326 CB ILE A 40 -6.848 4.082 7.268 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.594 3.234 8.529 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.380 3.337 6.026 1.00 0.00 C ATOM 329 CD1 ILE A 40 -7.300 1.896 8.534 1.00 0.00 C ATOM 0 H ILE A 40 -6.325 5.862 5.332 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.470 5.962 8.284 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.922 4.255 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.522 3.066 8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.911 3.802 9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.877 2.368 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.626 3.919 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.301 3.189 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.067 1.365 9.457 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.377 2.052 8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.966 1.305 7.681 1.00 0.00 H new ATOM 341 N GLU A 41 -4.050 5.064 8.507 1.00 0.00 N ATOM 342 CA GLU A 41 -2.638 4.842 8.601 1.00 0.00 C ATOM 343 C GLU A 41 -2.396 3.378 8.858 1.00 0.00 C ATOM 344 O GLU A 41 -2.955 2.789 9.800 1.00 0.00 O ATOM 345 CB GLU A 41 -2.054 5.634 9.768 1.00 0.00 C ATOM 346 CG GLU A 41 -2.125 7.138 9.630 1.00 0.00 C ATOM 347 CD GLU A 41 -1.716 7.825 10.902 1.00 0.00 C ATOM 348 OE1 GLU A 41 -0.509 8.077 11.102 1.00 0.00 O ATOM 349 OE2 GLU A 41 -2.596 8.101 11.748 1.00 0.00 O ATOM 0 H GLU A 41 -4.546 5.024 9.398 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.165 5.161 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.577 5.345 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.010 5.346 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.477 7.461 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.140 7.433 9.366 1.00 0.00 H new ATOM 356 N VAL A 42 -1.593 2.798 8.027 1.00 0.00 N ATOM 357 CA VAL A 42 -1.171 1.431 8.156 1.00 0.00 C ATOM 358 C VAL A 42 0.326 1.441 8.104 1.00 0.00 C ATOM 359 O VAL A 42 0.911 2.122 7.266 1.00 0.00 O ATOM 360 CB VAL A 42 -1.734 0.554 7.005 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.253 -0.889 7.105 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.248 0.606 6.977 1.00 0.00 C ATOM 0 H VAL A 42 -1.198 3.271 7.214 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.541 1.007 9.089 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.353 0.966 6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.669 -1.469 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.165 -0.914 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.581 -1.317 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.618 -0.016 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.642 0.237 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.574 1.635 6.825 1.00 0.00 H new ATOM 372 N TYR A 43 0.936 0.739 8.995 1.00 0.00 N ATOM 373 CA TYR A 43 2.366 0.730 9.087 1.00 0.00 C ATOM 374 C TYR A 43 2.890 -0.647 8.793 1.00 0.00 C ATOM 375 O TYR A 43 3.975 -0.809 8.232 1.00 0.00 O ATOM 376 CB TYR A 43 2.785 1.125 10.488 1.00 0.00 C ATOM 377 CG TYR A 43 2.166 2.410 10.978 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.075 2.387 11.828 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.672 3.637 10.598 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.508 3.551 12.292 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.105 4.808 11.053 1.00 0.00 C ATOM 382 CZ TYR A 43 1.028 4.758 11.898 1.00 0.00 C ATOM 383 OH TYR A 43 0.481 5.923 12.376 1.00 0.00 O ATOM 0 H TYR A 43 0.463 0.153 9.683 1.00 0.00 H new ATOM 0 HA TYR A 43 2.771 1.437 8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.519 0.322 11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.870 1.223 10.517 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.661 1.437 12.133 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.524 3.680 9.935 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.339 3.515 12.961 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.508 5.761 10.745 1.00 0.00 H new ATOM 0 HH TYR A 43 0.370 6.559 11.639 1.00 0.00 H new ATOM 393 N LYS A 44 2.111 -1.639 9.147 1.00 0.00 N ATOM 394 CA LYS A 44 2.520 -3.003 8.987 1.00 0.00 C ATOM 395 C LYS A 44 1.439 -3.864 8.360 1.00 0.00 C ATOM 396 O LYS A 44 0.256 -3.493 8.346 1.00 0.00 O ATOM 397 CB LYS A 44 3.077 -3.576 10.312 1.00 0.00 C ATOM 398 CG LYS A 44 2.253 -3.317 11.549 1.00 0.00 C ATOM 399 CD LYS A 44 0.995 -4.118 11.617 1.00 0.00 C ATOM 400 CE LYS A 44 0.253 -3.738 12.853 1.00 0.00 C ATOM 401 NZ LYS A 44 -0.976 -4.528 13.038 1.00 0.00 N ATOM 0 H LYS A 44 1.182 -1.520 9.551 1.00 0.00 H new ATOM 0 HA LYS A 44 3.342 -3.021 8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.193 -4.654 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.073 -3.164 10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.858 -3.534 12.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.000 -2.258 11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.381 -3.933 10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.225 -5.183 11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.902 -3.873 13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.003 -2.679 12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.455 -4.226 13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.609 -4.380 12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.733 -5.537 13.108 1.00 0.00 H new ATOM 415 N SER A 45 1.858 -4.992 7.854 1.00 0.00 N ATOM 416 CA SER A 45 1.013 -5.923 7.127 1.00 0.00 C ATOM 417 C SER A 45 -0.149 -6.465 7.983 1.00 0.00 C ATOM 418 O SER A 45 -0.010 -6.687 9.198 1.00 0.00 O ATOM 419 CB SER A 45 1.878 -7.090 6.660 1.00 0.00 C ATOM 420 OG SER A 45 3.041 -6.629 5.991 1.00 0.00 O ATOM 0 H SER A 45 2.825 -5.306 7.934 1.00 0.00 H new ATOM 0 HA SER A 45 0.570 -5.390 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.165 -7.699 7.517 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.301 -7.730 5.993 1.00 0.00 H new ATOM 0 HG SER A 45 3.571 -7.396 5.690 1.00 0.00 H new ATOM 426 N VAL A 46 -1.277 -6.661 7.351 1.00 0.00 N ATOM 427 CA VAL A 46 -2.435 -7.227 7.987 1.00 0.00 C ATOM 428 C VAL A 46 -2.821 -8.495 7.222 1.00 0.00 C ATOM 429 O VAL A 46 -2.795 -8.509 5.988 1.00 0.00 O ATOM 430 CB VAL A 46 -3.620 -6.214 8.053 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.166 -5.873 6.685 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.709 -6.706 8.979 1.00 0.00 C ATOM 0 H VAL A 46 -1.418 -6.429 6.368 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.198 -7.474 9.022 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.222 -5.288 8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.988 -5.165 6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.377 -5.428 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.527 -6.780 6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.521 -5.979 9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.089 -7.662 8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.304 -6.832 9.983 1.00 0.00 H new ATOM 442 N GLY A 47 -3.150 -9.538 7.927 1.00 0.00 N ATOM 443 CA GLY A 47 -3.428 -10.787 7.277 1.00 0.00 C ATOM 444 C GLY A 47 -4.898 -11.057 7.075 1.00 0.00 C ATOM 445 O GLY A 47 -5.262 -11.894 6.240 1.00 0.00 O ATOM 0 H GLY A 47 -3.232 -9.550 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.930 -10.800 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.998 -11.596 7.867 1.00 0.00 H new ATOM 449 N SER A 48 -5.745 -10.364 7.798 1.00 0.00 N ATOM 450 CA SER A 48 -7.164 -10.586 7.693 1.00 0.00 C ATOM 451 C SER A 48 -7.906 -9.350 8.154 1.00 0.00 C ATOM 452 O SER A 48 -7.629 -8.805 9.231 1.00 0.00 O ATOM 453 CB SER A 48 -7.575 -11.821 8.522 1.00 0.00 C ATOM 454 OG SER A 48 -8.913 -12.237 8.254 1.00 0.00 O ATOM 0 H SER A 48 -5.474 -9.642 8.465 1.00 0.00 H new ATOM 0 HA SER A 48 -7.424 -10.780 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.892 -12.643 8.307 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.474 -11.593 9.583 1.00 0.00 H new ATOM 0 HG SER A 48 -9.127 -13.022 8.800 1.00 0.00 H new ATOM 460 N LEU A 49 -8.805 -8.906 7.324 1.00 0.00 N ATOM 461 CA LEU A 49 -9.609 -7.736 7.571 1.00 0.00 C ATOM 462 C LEU A 49 -11.074 -8.102 7.579 1.00 0.00 C ATOM 463 O LEU A 49 -11.598 -8.662 6.600 1.00 0.00 O ATOM 464 CB LEU A 49 -9.325 -6.685 6.496 1.00 0.00 C ATOM 465 CG LEU A 49 -7.923 -6.078 6.534 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.668 -5.232 5.315 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.749 -5.246 7.784 1.00 0.00 C ATOM 0 H LEU A 49 -9.007 -9.357 6.432 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.354 -7.323 8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.481 -7.138 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.054 -5.881 6.595 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.201 -6.894 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.664 -4.812 5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.758 -5.847 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.398 -4.423 5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.746 -4.819 7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.486 -4.443 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.889 -5.876 8.663 1.00 0.00 H new ATOM 479 N SER A 50 -11.711 -7.864 8.685 1.00 0.00 N ATOM 480 CA SER A 50 -13.114 -8.094 8.822 1.00 0.00 C ATOM 481 C SER A 50 -13.798 -6.864 9.454 1.00 0.00 C ATOM 482 O SER A 50 -13.583 -6.569 10.632 1.00 0.00 O ATOM 483 CB SER A 50 -13.344 -9.363 9.642 1.00 0.00 C ATOM 484 OG SER A 50 -12.586 -9.341 10.859 1.00 0.00 O ATOM 0 H SER A 50 -11.264 -7.500 9.527 1.00 0.00 H new ATOM 0 HA SER A 50 -13.563 -8.242 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.405 -9.462 9.873 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.064 -10.236 9.052 1.00 0.00 H new ATOM 0 HG SER A 50 -12.643 -8.450 11.264 1.00 0.00 H new ATOM 490 N PRO A 51 -14.572 -6.089 8.690 1.00 0.00 N ATOM 491 CA PRO A 51 -14.790 -6.310 7.265 1.00 0.00 C ATOM 492 C PRO A 51 -13.592 -5.829 6.436 1.00 0.00 C ATOM 493 O PRO A 51 -12.727 -5.101 6.951 1.00 0.00 O ATOM 494 CB PRO A 51 -16.011 -5.445 6.970 1.00 0.00 C ATOM 495 CG PRO A 51 -15.899 -4.316 7.919 1.00 0.00 C ATOM 496 CD PRO A 51 -15.306 -4.897 9.170 1.00 0.00 C ATOM 0 HA PRO A 51 -14.922 -7.363 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.012 -5.097 5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.937 -6.000 7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.266 -3.526 7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.875 -3.872 8.117 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.640 -4.189 9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.078 -5.166 9.892 1.00 0.00 H new ATOM 504 N PRO A 52 -13.488 -6.278 5.178 1.00 0.00 N ATOM 505 CA PRO A 52 -12.433 -5.836 4.272 1.00 0.00 C ATOM 506 C PRO A 52 -12.526 -4.325 4.064 1.00 0.00 C ATOM 507 O PRO A 52 -13.604 -3.726 4.220 1.00 0.00 O ATOM 508 CB PRO A 52 -12.753 -6.570 2.956 1.00 0.00 C ATOM 509 CG PRO A 52 -14.173 -6.973 3.081 1.00 0.00 C ATOM 510 CD PRO A 52 -14.395 -7.228 4.533 1.00 0.00 C ATOM 0 HA PRO A 52 -11.431 -6.048 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.601 -5.920 2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.107 -7.437 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.836 -6.189 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.380 -7.866 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.432 -7.053 4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.159 -8.257 4.802 1.00 0.00 H new ATOM 518 N TRP A 53 -11.447 -3.722 3.702 1.00 0.00 N ATOM 519 CA TRP A 53 -11.419 -2.297 3.539 1.00 0.00 C ATOM 520 C TRP A 53 -11.782 -1.937 2.155 1.00 0.00 C ATOM 521 O TRP A 53 -11.241 -2.499 1.216 1.00 0.00 O ATOM 522 CB TRP A 53 -10.040 -1.728 3.847 1.00 0.00 C ATOM 523 CG TRP A 53 -9.661 -1.799 5.289 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.501 -1.943 6.353 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.347 -1.701 5.830 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.785 -1.959 7.511 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.462 -1.804 7.223 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.081 -1.544 5.276 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.361 -1.749 8.070 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.991 -1.494 6.121 1.00 0.00 C ATOM 531 CH2 TRP A 53 -6.138 -1.597 7.500 1.00 0.00 C ATOM 0 H TRP A 53 -10.562 -4.192 3.510 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.139 -1.874 4.239 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.297 -2.267 3.260 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.008 -0.687 3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.575 -2.031 6.287 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.177 -2.070 8.446 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.954 -1.463 4.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.474 -1.824 9.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.003 -1.372 5.702 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.262 -1.555 8.130 1.00 0.00 H new ATOM 542 N THR A 54 -12.706 -1.032 2.019 1.00 0.00 N ATOM 543 CA THR A 54 -13.078 -0.547 0.733 1.00 0.00 C ATOM 544 C THR A 54 -12.642 0.921 0.562 1.00 0.00 C ATOM 545 O THR A 54 -13.427 1.844 0.831 1.00 0.00 O ATOM 546 CB THR A 54 -14.601 -0.698 0.493 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.340 -0.071 1.561 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.984 -2.168 0.414 1.00 0.00 C ATOM 0 H THR A 54 -13.218 -0.614 2.796 1.00 0.00 H new ATOM 0 HA THR A 54 -12.563 -1.151 -0.014 1.00 0.00 H new ATOM 0 HB THR A 54 -14.846 -0.212 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.976 0.823 1.730 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.057 -2.256 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.447 -2.640 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.722 -2.663 1.349 1.00 0.00 H new ATOM 556 N PRO A 55 -11.358 1.175 0.235 1.00 0.00 N ATOM 557 CA PRO A 55 -10.875 2.514 -0.003 1.00 0.00 C ATOM 558 C PRO A 55 -11.222 2.997 -1.395 1.00 0.00 C ATOM 559 O PRO A 55 -11.516 2.198 -2.299 1.00 0.00 O ATOM 560 CB PRO A 55 -9.371 2.379 0.128 1.00 0.00 C ATOM 561 CG PRO A 55 -9.097 1.009 -0.355 1.00 0.00 C ATOM 562 CD PRO A 55 -10.261 0.186 0.111 1.00 0.00 C ATOM 0 HA PRO A 55 -11.317 3.234 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.849 3.126 -0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.046 2.512 1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.008 0.985 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.159 0.629 0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.508 -0.600 -0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.052 -0.302 1.063 1.00 0.00 H new ATOM 570 N GLY A 56 -11.228 4.279 -1.565 1.00 0.00 N ATOM 571 CA GLY A 56 -11.469 4.827 -2.858 1.00 0.00 C ATOM 572 C GLY A 56 -10.178 4.924 -3.633 1.00 0.00 C ATOM 573 O GLY A 56 -10.124 4.614 -4.828 1.00 0.00 O ATOM 0 H GLY A 56 -11.069 4.964 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.180 4.202 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.920 5.815 -2.764 1.00 0.00 H new ATOM 577 N SER A 57 -9.131 5.287 -2.954 1.00 0.00 N ATOM 578 CA SER A 57 -7.855 5.438 -3.563 1.00 0.00 C ATOM 579 C SER A 57 -6.793 5.072 -2.551 1.00 0.00 C ATOM 580 O SER A 57 -7.078 4.994 -1.349 1.00 0.00 O ATOM 581 CB SER A 57 -7.672 6.865 -4.158 1.00 0.00 C ATOM 582 OG SER A 57 -7.819 7.898 -3.215 1.00 0.00 O ATOM 0 H SER A 57 -9.145 5.487 -1.954 1.00 0.00 H new ATOM 0 HA SER A 57 -7.763 4.762 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.682 6.936 -4.609 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.398 7.010 -4.958 1.00 0.00 H new ATOM 0 HG SER A 57 -6.996 8.430 -3.181 1.00 0.00 H new ATOM 588 N VAL A 58 -5.608 4.780 -3.012 1.00 0.00 N ATOM 589 CA VAL A 58 -4.532 4.366 -2.130 1.00 0.00 C ATOM 590 C VAL A 58 -3.283 5.074 -2.572 1.00 0.00 C ATOM 591 O VAL A 58 -3.073 5.223 -3.772 1.00 0.00 O ATOM 592 CB VAL A 58 -4.271 2.825 -2.237 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.219 2.374 -1.242 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.551 2.014 -2.073 1.00 0.00 C ATOM 0 H VAL A 58 -5.354 4.819 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.804 4.607 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.893 2.639 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.061 1.300 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.284 2.898 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.555 2.599 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.322 0.952 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.988 2.217 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.261 2.293 -2.852 1.00 0.00 H new ATOM 604 N CYS A 59 -2.451 5.492 -1.653 1.00 0.00 N ATOM 605 CA CYS A 59 -1.226 6.127 -2.040 1.00 0.00 C ATOM 606 C CYS A 59 -0.102 5.795 -1.076 1.00 0.00 C ATOM 607 O CYS A 59 -0.336 5.540 0.117 1.00 0.00 O ATOM 608 CB CYS A 59 -1.388 7.644 -2.182 1.00 0.00 C ATOM 609 SG CYS A 59 0.088 8.440 -2.902 1.00 0.00 S ATOM 0 H CYS A 59 -2.599 5.405 -0.648 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.961 5.731 -3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.254 7.857 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.590 8.078 -1.203 1.00 0.00 H new ATOM 614 N VAL A 60 1.105 5.757 -1.606 1.00 0.00 N ATOM 615 CA VAL A 60 2.297 5.502 -0.833 1.00 0.00 C ATOM 616 C VAL A 60 3.193 6.742 -0.903 1.00 0.00 C ATOM 617 O VAL A 60 3.500 7.221 -2.006 1.00 0.00 O ATOM 618 CB VAL A 60 3.076 4.274 -1.382 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.344 4.013 -0.575 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.192 3.038 -1.392 1.00 0.00 C ATOM 0 H VAL A 60 1.284 5.905 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 60 2.010 5.286 0.196 1.00 0.00 H new ATOM 0 HB VAL A 60 3.370 4.502 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.865 3.148 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.994 4.886 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.080 3.818 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.757 2.190 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.861 2.820 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.324 3.217 -2.027 1.00 0.00 H new ATOM 630 N PRO A 61 3.588 7.298 0.255 1.00 0.00 N ATOM 631 CA PRO A 61 4.452 8.487 0.325 1.00 0.00 C ATOM 632 C PRO A 61 5.822 8.257 -0.325 1.00 0.00 C ATOM 633 O PRO A 61 6.389 7.155 -0.247 1.00 0.00 O ATOM 634 CB PRO A 61 4.608 8.744 1.834 1.00 0.00 C ATOM 635 CG PRO A 61 4.235 7.458 2.485 1.00 0.00 C ATOM 636 CD PRO A 61 3.218 6.819 1.591 1.00 0.00 C ATOM 0 HA PRO A 61 4.019 9.328 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.630 9.030 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.961 9.556 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.107 6.815 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.826 7.630 3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.256 5.731 1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.204 7.118 1.858 1.00 0.00 H new ATOM 644 N PHE A 62 6.335 9.284 -0.967 1.00 0.00 N ATOM 645 CA PHE A 62 7.611 9.209 -1.633 1.00 0.00 C ATOM 646 C PHE A 62 8.740 9.139 -0.621 1.00 0.00 C ATOM 647 O PHE A 62 8.872 10.000 0.243 1.00 0.00 O ATOM 648 CB PHE A 62 7.807 10.401 -2.588 1.00 0.00 C ATOM 649 CG PHE A 62 9.150 10.412 -3.286 1.00 0.00 C ATOM 650 CD1 PHE A 62 9.424 9.517 -4.305 1.00 0.00 C ATOM 651 CD2 PHE A 62 10.134 11.318 -2.915 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.654 9.522 -4.939 1.00 0.00 C ATOM 653 CE2 PHE A 62 11.361 11.327 -3.547 1.00 0.00 C ATOM 654 CZ PHE A 62 11.621 10.428 -4.560 1.00 0.00 C ATOM 0 H PHE A 62 5.877 10.193 -1.040 1.00 0.00 H new ATOM 0 HA PHE A 62 7.628 8.296 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.018 10.386 -3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.693 11.328 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.669 8.807 -4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.937 12.024 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.856 8.816 -5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 62 12.117 12.038 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.581 10.434 -5.055 1.00 0.00 H new ATOM 664 N VAL A 63 9.519 8.097 -0.705 1.00 0.00 N ATOM 665 CA VAL A 63 10.647 7.947 0.152 1.00 0.00 C ATOM 666 C VAL A 63 11.894 8.430 -0.561 1.00 0.00 C ATOM 667 O VAL A 63 12.295 7.890 -1.595 1.00 0.00 O ATOM 668 CB VAL A 63 10.780 6.500 0.682 1.00 0.00 C ATOM 669 CG1 VAL A 63 12.041 6.322 1.508 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.554 6.164 1.518 1.00 0.00 C ATOM 0 H VAL A 63 9.385 7.334 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 63 10.505 8.567 1.037 1.00 0.00 H new ATOM 0 HB VAL A 63 10.849 5.823 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.101 5.293 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.913 6.545 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.016 7.000 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.639 5.145 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.484 6.857 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.659 6.249 0.902 1.00 0.00 H new ATOM 680 N ASN A 64 12.447 9.474 -0.012 1.00 0.00 N ATOM 681 CA ASN A 64 13.616 10.185 -0.533 1.00 0.00 C ATOM 682 C ASN A 64 14.861 9.795 0.240 1.00 0.00 C ATOM 683 O ASN A 64 15.978 10.194 -0.104 1.00 0.00 O ATOM 684 CB ASN A 64 13.366 11.689 -0.346 1.00 0.00 C ATOM 685 CG ASN A 64 13.049 12.036 1.117 1.00 0.00 C ATOM 686 OD1 ASN A 64 11.889 11.960 1.548 1.00 0.00 O ATOM 687 ND2 ASN A 64 14.040 12.406 1.881 1.00 0.00 N ATOM 0 H ASN A 64 12.091 9.884 0.851 1.00 0.00 H new ATOM 0 HA ASN A 64 13.765 9.934 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.245 12.247 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.538 12.002 -0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.870 12.641 2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.985 12.460 1.500 1.00 0.00 H new ATOM 694 N ASP A 65 14.636 9.028 1.278 1.00 0.00 N ATOM 695 CA ASP A 65 15.648 8.588 2.231 1.00 0.00 C ATOM 696 C ASP A 65 16.756 7.825 1.564 1.00 0.00 C ATOM 697 O ASP A 65 16.525 7.091 0.610 1.00 0.00 O ATOM 698 CB ASP A 65 15.018 7.737 3.331 1.00 0.00 C ATOM 699 CG ASP A 65 13.967 8.492 4.095 1.00 0.00 C ATOM 700 OD1 ASP A 65 14.232 8.934 5.241 1.00 0.00 O ATOM 701 OD2 ASP A 65 12.864 8.694 3.558 1.00 0.00 O ATOM 0 H ASP A 65 13.706 8.673 1.499 1.00 0.00 H new ATOM 0 HA ASP A 65 16.081 9.485 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.574 6.845 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.794 7.400 4.018 1.00 0.00 H new ATOM 706 N THR A 66 17.962 8.008 2.079 1.00 0.00 N ATOM 707 CA THR A 66 19.208 7.407 1.581 1.00 0.00 C ATOM 708 C THR A 66 19.148 5.839 1.503 1.00 0.00 C ATOM 709 O THR A 66 20.070 5.197 0.994 1.00 0.00 O ATOM 710 CB THR A 66 20.335 7.815 2.543 1.00 0.00 C ATOM 711 OG1 THR A 66 20.102 9.177 2.962 1.00 0.00 O ATOM 712 CG2 THR A 66 21.698 7.737 1.864 1.00 0.00 C ATOM 0 H THR A 66 18.115 8.605 2.892 1.00 0.00 H new ATOM 0 HA THR A 66 19.377 7.766 0.566 1.00 0.00 H new ATOM 0 HB THR A 66 20.336 7.133 3.393 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.811 9.455 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.474 8.032 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.880 6.716 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.716 8.408 1.005 1.00 0.00 H new ATOM 720 N LYS A 67 18.085 5.252 2.022 1.00 0.00 N ATOM 721 CA LYS A 67 17.894 3.817 1.989 1.00 0.00 C ATOM 722 C LYS A 67 17.750 3.340 0.553 1.00 0.00 C ATOM 723 O LYS A 67 17.141 4.016 -0.292 1.00 0.00 O ATOM 724 CB LYS A 67 16.650 3.418 2.788 1.00 0.00 C ATOM 725 CG LYS A 67 16.703 3.757 4.271 1.00 0.00 C ATOM 726 CD LYS A 67 17.826 3.011 4.979 1.00 0.00 C ATOM 727 CE LYS A 67 17.825 3.293 6.471 1.00 0.00 C ATOM 728 NZ LYS A 67 16.582 2.819 7.124 1.00 0.00 N ATOM 0 H LYS A 67 17.328 5.761 2.479 1.00 0.00 H new ATOM 0 HA LYS A 67 18.768 3.347 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.782 3.909 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.497 2.344 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.845 4.831 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.750 3.506 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.716 1.940 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.785 3.305 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.685 2.807 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.936 4.364 6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.724 2.778 8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.804 3.475 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.344 1.871 6.770 1.00 0.00 H new ATOM 742 N ARG A 68 18.333 2.206 0.267 1.00 0.00 N ATOM 743 CA ARG A 68 18.253 1.632 -1.061 1.00 0.00 C ATOM 744 C ARG A 68 16.921 0.922 -1.164 1.00 0.00 C ATOM 745 O ARG A 68 16.352 0.790 -2.238 1.00 0.00 O ATOM 746 CB ARG A 68 19.370 0.590 -1.339 1.00 0.00 C ATOM 747 CG ARG A 68 20.843 1.018 -1.163 1.00 0.00 C ATOM 748 CD ARG A 68 21.197 1.375 0.283 1.00 0.00 C ATOM 749 NE ARG A 68 20.664 0.388 1.261 1.00 0.00 N ATOM 750 CZ ARG A 68 20.992 0.329 2.558 1.00 0.00 C ATOM 751 NH1 ARG A 68 21.995 1.055 3.035 1.00 0.00 N ATOM 752 NH2 ARG A 68 20.313 -0.473 3.369 1.00 0.00 N ATOM 0 H ARG A 68 18.872 1.655 0.935 1.00 0.00 H new ATOM 0 HA ARG A 68 18.368 2.438 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.194 -0.265 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.248 0.240 -2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.492 0.210 -1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.044 1.877 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.281 1.433 0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.801 2.363 0.517 1.00 0.00 H new ATOM 0 HE ARG A 68 19.994 -0.299 0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.524 1.665 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.237 1.003 4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.547 -1.039 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.557 -0.523 4.358 1.00 0.00 H new ATOM 766 N GLU A 69 16.434 0.467 -0.023 1.00 0.00 N ATOM 767 CA GLU A 69 15.195 -0.234 0.028 1.00 0.00 C ATOM 768 C GLU A 69 14.097 0.762 0.352 1.00 0.00 C ATOM 769 O GLU A 69 14.187 1.513 1.331 1.00 0.00 O ATOM 770 CB GLU A 69 15.210 -1.319 1.141 1.00 0.00 C ATOM 771 CG GLU A 69 16.400 -2.302 1.146 1.00 0.00 C ATOM 772 CD GLU A 69 17.696 -1.704 1.679 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.868 -1.609 2.910 1.00 0.00 O ATOM 774 OE2 GLU A 69 18.570 -1.341 0.886 1.00 0.00 O ATOM 0 H GLU A 69 16.894 0.580 0.880 1.00 0.00 H new ATOM 0 HA GLU A 69 15.027 -0.719 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.184 -0.814 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.291 -1.900 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.138 -3.171 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.568 -2.659 0.130 1.00 0.00 H new ATOM 781 N ARG A 70 13.101 0.796 -0.465 1.00 0.00 N ATOM 782 CA ARG A 70 11.942 1.604 -0.220 1.00 0.00 C ATOM 783 C ARG A 70 10.771 0.741 0.144 1.00 0.00 C ATOM 784 O ARG A 70 10.722 -0.407 -0.253 1.00 0.00 O ATOM 785 CB ARG A 70 11.618 2.557 -1.380 1.00 0.00 C ATOM 786 CG ARG A 70 12.399 3.862 -1.326 1.00 0.00 C ATOM 787 CD ARG A 70 13.870 3.680 -1.596 1.00 0.00 C ATOM 788 NE ARG A 70 14.127 3.434 -3.013 1.00 0.00 N ATOM 789 CZ ARG A 70 15.160 3.950 -3.671 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.197 4.438 -3.002 1.00 0.00 N ATOM 791 NH2 ARG A 70 15.184 3.916 -5.000 1.00 0.00 N ATOM 0 H ARG A 70 13.062 0.261 -1.332 1.00 0.00 H new ATOM 0 HA ARG A 70 12.170 2.248 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.830 2.054 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.551 2.780 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.985 4.557 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.269 4.316 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.413 4.569 -1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.249 2.845 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 70 13.479 2.834 -3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.202 4.417 -1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.990 4.834 -3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.410 3.494 -5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.976 4.312 -5.506 1.00 0.00 H new ATOM 805 N PRO A 71 9.819 1.254 0.908 1.00 0.00 N ATOM 806 CA PRO A 71 8.649 0.485 1.278 1.00 0.00 C ATOM 807 C PRO A 71 7.697 0.335 0.083 1.00 0.00 C ATOM 808 O PRO A 71 7.431 1.300 -0.652 1.00 0.00 O ATOM 809 CB PRO A 71 8.034 1.318 2.406 1.00 0.00 C ATOM 810 CG PRO A 71 8.423 2.713 2.084 1.00 0.00 C ATOM 811 CD PRO A 71 9.788 2.616 1.459 1.00 0.00 C ATOM 0 HA PRO A 71 8.872 -0.536 1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.950 1.205 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.416 1.013 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.710 3.171 1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.445 3.331 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.927 3.367 0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.578 2.769 2.195 1.00 0.00 H new ATOM 819 N TYR A 72 7.219 -0.854 -0.110 1.00 0.00 N ATOM 820 CA TYR A 72 6.356 -1.185 -1.204 1.00 0.00 C ATOM 821 C TYR A 72 5.151 -1.892 -0.612 1.00 0.00 C ATOM 822 O TYR A 72 5.296 -2.704 0.303 1.00 0.00 O ATOM 823 CB TYR A 72 7.119 -2.102 -2.171 1.00 0.00 C ATOM 824 CG TYR A 72 6.459 -2.308 -3.510 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.637 -1.388 -4.525 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.676 -3.418 -3.766 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.056 -1.566 -5.758 1.00 0.00 C ATOM 828 CE2 TYR A 72 5.089 -3.600 -4.998 1.00 0.00 C ATOM 829 CZ TYR A 72 5.281 -2.673 -5.991 1.00 0.00 C ATOM 830 OH TYR A 72 4.709 -2.866 -7.234 1.00 0.00 O ATOM 0 H TYR A 72 7.422 -1.643 0.504 1.00 0.00 H new ATOM 0 HA TYR A 72 6.033 -0.304 -1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.113 -1.686 -2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.254 -3.074 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.244 -0.513 -4.346 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.523 -4.152 -2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.209 -0.837 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.478 -4.471 -5.182 1.00 0.00 H new ATOM 0 HH TYR A 72 4.399 -3.793 -7.311 1.00 0.00 H new ATOM 840 N TRP A 73 3.988 -1.591 -1.081 1.00 0.00 N ATOM 841 CA TRP A 73 2.808 -2.120 -0.473 1.00 0.00 C ATOM 842 C TRP A 73 2.007 -2.964 -1.436 1.00 0.00 C ATOM 843 O TRP A 73 1.800 -2.587 -2.593 1.00 0.00 O ATOM 844 CB TRP A 73 1.973 -0.977 0.101 1.00 0.00 C ATOM 845 CG TRP A 73 2.660 -0.242 1.224 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.533 0.802 1.125 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.511 -0.503 2.611 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.923 1.206 2.377 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.305 0.421 3.306 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.769 -1.428 3.330 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.374 0.442 4.694 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.828 -1.409 4.698 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.624 -0.479 5.371 1.00 0.00 C ATOM 0 H TRP A 73 3.825 -0.982 -1.883 1.00 0.00 H new ATOM 0 HA TRP A 73 3.105 -2.782 0.340 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.739 -0.271 -0.696 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.025 -1.375 0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.867 1.245 0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.569 1.969 2.580 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.153 -2.153 2.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.994 1.156 5.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.250 -2.124 5.265 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.647 -0.488 6.451 1.00 0.00 H new ATOM 864 N TYR A 74 1.601 -4.109 -0.964 1.00 0.00 N ATOM 865 CA TYR A 74 0.768 -5.018 -1.700 1.00 0.00 C ATOM 866 C TYR A 74 -0.580 -5.130 -1.037 1.00 0.00 C ATOM 867 O TYR A 74 -0.669 -5.219 0.187 1.00 0.00 O ATOM 868 CB TYR A 74 1.407 -6.402 -1.819 1.00 0.00 C ATOM 869 CG TYR A 74 2.407 -6.544 -2.947 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.997 -6.467 -4.268 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.742 -6.782 -2.699 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.884 -6.619 -5.302 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.646 -6.936 -3.737 1.00 0.00 C ATOM 874 CZ TYR A 74 4.203 -6.852 -5.039 1.00 0.00 C ATOM 875 OH TYR A 74 5.086 -7.000 -6.086 1.00 0.00 O ATOM 0 H TYR A 74 1.847 -4.445 -0.033 1.00 0.00 H new ATOM 0 HA TYR A 74 0.649 -4.619 -2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.905 -6.639 -0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.617 -7.141 -1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.956 -6.283 -4.488 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.089 -6.849 -1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.540 -6.554 -6.324 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.689 -7.120 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 74 5.987 -7.159 -5.734 1.00 0.00 H new ATOM 885 N LEU A 75 -1.610 -5.181 -1.833 1.00 0.00 N ATOM 886 CA LEU A 75 -2.969 -5.224 -1.339 1.00 0.00 C ATOM 887 C LEU A 75 -3.618 -6.437 -1.956 1.00 0.00 C ATOM 888 O LEU A 75 -3.319 -6.767 -3.112 1.00 0.00 O ATOM 889 CB LEU A 75 -3.725 -3.971 -1.827 1.00 0.00 C ATOM 890 CG LEU A 75 -2.989 -2.622 -1.702 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.819 -1.499 -2.281 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.632 -2.316 -0.265 1.00 0.00 C ATOM 0 H LEU A 75 -1.537 -5.194 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.988 -5.262 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.987 -4.119 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.660 -3.901 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.063 -2.704 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.278 -0.558 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.012 -1.696 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.766 -1.432 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.114 -1.358 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.542 -2.269 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.982 -3.100 0.123 1.00 0.00 H new ATOM 904 N PHE A 76 -4.459 -7.115 -1.198 1.00 0.00 N ATOM 905 CA PHE A 76 -5.087 -8.349 -1.650 1.00 0.00 C ATOM 906 C PHE A 76 -6.575 -8.328 -1.379 1.00 0.00 C ATOM 907 O PHE A 76 -7.021 -7.809 -0.345 1.00 0.00 O ATOM 908 CB PHE A 76 -4.465 -9.551 -0.932 1.00 0.00 C ATOM 909 CG PHE A 76 -2.991 -9.680 -1.133 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.487 -10.388 -2.202 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.106 -9.080 -0.252 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.138 -10.493 -2.391 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.753 -9.187 -0.440 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.268 -9.893 -1.512 1.00 0.00 C ATOM 0 H PHE A 76 -4.727 -6.831 -0.256 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.923 -8.435 -2.724 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.670 -9.470 0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.951 -10.462 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.164 -10.864 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.486 -8.522 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.754 -11.049 -3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.071 -8.717 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.798 -9.977 -1.665 1.00 0.00 H new ATOM 924 N ASP A 77 -7.346 -8.904 -2.287 1.00 0.00 N ATOM 925 CA ASP A 77 -8.814 -8.954 -2.143 1.00 0.00 C ATOM 926 C ASP A 77 -9.242 -10.122 -1.301 1.00 0.00 C ATOM 927 O ASP A 77 -10.430 -10.306 -1.057 1.00 0.00 O ATOM 928 CB ASP A 77 -9.568 -8.972 -3.499 1.00 0.00 C ATOM 929 CG ASP A 77 -9.712 -10.341 -4.154 1.00 0.00 C ATOM 930 OD1 ASP A 77 -10.856 -10.771 -4.425 1.00 0.00 O ATOM 931 OD2 ASP A 77 -8.720 -10.989 -4.427 1.00 0.00 O ATOM 0 H ASP A 77 -6.992 -9.346 -3.135 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.089 -8.027 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.564 -8.556 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.049 -8.310 -4.192 1.00 0.00 H new ATOM 936 N ASN A 78 -8.301 -10.891 -0.831 1.00 0.00 N ATOM 937 CA ASN A 78 -8.622 -11.961 0.041 1.00 0.00 C ATOM 938 C ASN A 78 -7.616 -12.010 1.169 1.00 0.00 C ATOM 939 O ASN A 78 -6.578 -11.359 1.096 1.00 0.00 O ATOM 940 CB ASN A 78 -8.733 -13.280 -0.691 1.00 0.00 C ATOM 941 CG ASN A 78 -9.564 -14.230 0.107 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.064 -15.069 0.847 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.837 -14.036 0.038 1.00 0.00 N ATOM 0 H ASN A 78 -7.308 -10.789 -1.043 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.609 -11.781 0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.181 -13.126 -1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.741 -13.700 -0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.470 -14.592 0.613 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.211 -13.327 -0.592 1.00 0.00 H new ATOM 950 N VAL A 79 -7.948 -12.715 2.226 1.00 0.00 N ATOM 951 CA VAL A 79 -7.124 -12.796 3.409 1.00 0.00 C ATOM 952 C VAL A 79 -5.932 -13.699 3.183 1.00 0.00 C ATOM 953 O VAL A 79 -5.862 -14.406 2.167 1.00 0.00 O ATOM 954 CB VAL A 79 -7.926 -13.307 4.622 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.088 -12.376 4.910 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.418 -14.734 4.386 1.00 0.00 C ATOM 0 H VAL A 79 -8.811 -13.256 2.289 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.773 -11.786 3.619 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.269 -13.320 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.647 -12.747 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.709 -11.378 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.744 -12.333 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.981 -15.073 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.061 -14.756 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.564 -15.392 4.228 1.00 0.00 H new ATOM 966 N ASN A 80 -4.998 -13.661 4.123 1.00 0.00 N ATOM 967 CA ASN A 80 -3.772 -14.465 4.077 1.00 0.00 C ATOM 968 C ASN A 80 -2.978 -14.176 2.819 1.00 0.00 C ATOM 969 O ASN A 80 -2.253 -15.028 2.323 1.00 0.00 O ATOM 970 CB ASN A 80 -4.077 -15.977 4.202 1.00 0.00 C ATOM 971 CG ASN A 80 -4.462 -16.405 5.606 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.608 -16.706 6.435 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.739 -16.488 5.876 1.00 0.00 N ATOM 0 H ASN A 80 -5.065 -13.067 4.950 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.164 -14.180 4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.886 -16.234 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.201 -16.543 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.046 -16.809 6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.428 -16.231 5.169 1.00 0.00 H new ATOM 980 N TYR A 81 -3.098 -12.930 2.347 1.00 0.00 N ATOM 981 CA TYR A 81 -2.395 -12.406 1.181 1.00 0.00 C ATOM 982 C TYR A 81 -2.722 -13.203 -0.082 1.00 0.00 C ATOM 983 O TYR A 81 -1.851 -13.427 -0.933 1.00 0.00 O ATOM 984 CB TYR A 81 -0.878 -12.389 1.411 1.00 0.00 C ATOM 985 CG TYR A 81 -0.435 -11.781 2.723 1.00 0.00 C ATOM 986 CD1 TYR A 81 -1.024 -10.637 3.230 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.593 -12.358 3.444 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.601 -10.094 4.420 1.00 0.00 C ATOM 989 CE2 TYR A 81 1.022 -11.818 4.625 1.00 0.00 C ATOM 990 CZ TYR A 81 0.428 -10.691 5.115 1.00 0.00 C ATOM 991 OH TYR A 81 0.875 -10.156 6.308 1.00 0.00 O ATOM 0 H TYR A 81 -3.708 -12.240 2.784 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.740 -11.382 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.507 -13.413 1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.409 -11.838 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.827 -10.164 2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.067 -13.253 3.068 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.073 -9.204 4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.830 -12.283 5.170 1.00 0.00 H new ATOM 0 HH TYR A 81 1.605 -10.707 6.660 1.00 0.00 H new ATOM 1001 N THR A 82 -3.961 -13.597 -0.226 1.00 0.00 N ATOM 1002 CA THR A 82 -4.350 -14.341 -1.389 1.00 0.00 C ATOM 1003 C THR A 82 -5.290 -13.515 -2.264 1.00 0.00 C ATOM 1004 O THR A 82 -5.764 -12.437 -1.853 1.00 0.00 O ATOM 1005 CB THR A 82 -5.030 -15.687 -1.022 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.214 -15.453 -0.249 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.092 -16.575 -0.228 1.00 0.00 C ATOM 0 H THR A 82 -4.710 -13.416 0.443 1.00 0.00 H new ATOM 0 HA THR A 82 -3.438 -14.565 -1.942 1.00 0.00 H new ATOM 0 HB THR A 82 -5.290 -16.189 -1.954 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.964 -15.190 0.661 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.595 -17.511 0.015 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.201 -16.785 -0.820 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.804 -16.068 0.693 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.558 -14.014 -3.440 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.446 -13.366 -4.340 1.00 0.00 C ATOM 1017 C GLY A 83 -5.727 -12.434 -5.273 1.00 0.00 C ATOM 1018 O GLY A 83 -4.588 -12.712 -5.712 1.00 0.00 O ATOM 0 H GLY A 83 -5.161 -14.884 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.983 -14.116 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.191 -12.807 -3.774 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.374 -11.349 -5.563 1.00 0.00 N ATOM 1023 CA ARG A 84 -5.879 -10.324 -6.441 1.00 0.00 C ATOM 1024 C ARG A 84 -4.825 -9.537 -5.723 1.00 0.00 C ATOM 1025 O ARG A 84 -4.974 -9.236 -4.540 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.022 -9.413 -6.835 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.068 -10.070 -7.701 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.343 -9.243 -7.719 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.340 -9.766 -8.652 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.455 -10.442 -8.325 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -11.706 -10.806 -7.061 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.309 -10.771 -9.275 1.00 0.00 N ATOM 0 H ARG A 84 -7.297 -11.141 -5.182 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.451 -10.772 -7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.500 -9.037 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.618 -8.550 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.688 -10.185 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.282 -11.071 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.768 -9.216 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.101 -8.215 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.174 -9.602 -9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.044 -10.571 -6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.559 -11.318 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.119 -10.512 -10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.159 -11.284 -9.041 1.00 0.00 H new ATOM 1046 N ILE A 85 -3.793 -9.188 -6.422 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.677 -8.521 -5.824 1.00 0.00 C ATOM 1048 C ILE A 85 -2.503 -7.134 -6.449 1.00 0.00 C ATOM 1049 O ILE A 85 -2.711 -6.948 -7.647 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.382 -9.384 -5.981 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.236 -8.817 -5.159 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -0.964 -9.473 -7.441 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.990 -9.712 -5.132 1.00 0.00 C ATOM 0 H ILE A 85 -3.698 -9.356 -7.424 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.863 -8.392 -4.758 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.614 -10.384 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.043 -7.844 -5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.579 -8.652 -4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.061 -10.078 -7.525 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.764 -9.933 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.767 -8.472 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.768 -9.245 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.726 -10.678 -4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.358 -9.856 -6.148 1.00 0.00 H new ATOM 1065 N THR A 86 -2.239 -6.166 -5.643 1.00 0.00 N ATOM 1066 CA THR A 86 -1.983 -4.828 -6.128 1.00 0.00 C ATOM 1067 C THR A 86 -0.717 -4.284 -5.497 1.00 0.00 C ATOM 1068 O THR A 86 -0.619 -4.237 -4.281 1.00 0.00 O ATOM 1069 CB THR A 86 -3.187 -3.904 -5.848 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.335 -4.451 -6.494 1.00 0.00 O ATOM 1071 CG2 THR A 86 -2.945 -2.505 -6.375 1.00 0.00 C ATOM 0 H THR A 86 -2.191 -6.264 -4.629 1.00 0.00 H new ATOM 0 HA THR A 86 -1.842 -4.865 -7.208 1.00 0.00 H new ATOM 0 HB THR A 86 -3.335 -3.840 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.983 -4.742 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.812 -1.881 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.065 -2.081 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.783 -2.545 -7.452 1.00 0.00 H new ATOM 1079 N GLY A 87 0.255 -3.921 -6.314 1.00 0.00 N ATOM 1080 CA GLY A 87 1.499 -3.412 -5.793 1.00 0.00 C ATOM 1081 C GLY A 87 1.675 -1.938 -6.041 1.00 0.00 C ATOM 1082 O GLY A 87 1.663 -1.490 -7.192 1.00 0.00 O ATOM 0 H GLY A 87 0.203 -3.970 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.544 -3.603 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.328 -3.954 -6.249 1.00 0.00 H new ATOM 1086 N LEU A 88 1.822 -1.186 -4.978 1.00 0.00 N ATOM 1087 CA LEU A 88 2.024 0.252 -5.051 1.00 0.00 C ATOM 1088 C LEU A 88 3.382 0.627 -4.524 1.00 0.00 C ATOM 1089 O LEU A 88 3.882 0.012 -3.569 1.00 0.00 O ATOM 1090 CB LEU A 88 0.919 1.008 -4.289 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.235 1.576 -5.130 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.233 2.770 -5.943 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.799 0.516 -6.053 1.00 0.00 C ATOM 0 H LEU A 88 1.806 -1.552 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 88 1.969 0.544 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.497 0.333 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.383 1.832 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.020 1.900 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.598 3.158 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.596 3.548 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.038 2.463 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.615 0.940 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.016 0.163 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.173 -0.320 -5.462 1.00 0.00 H new ATOM 1105 N GLY A 89 3.963 1.642 -5.128 1.00 0.00 N ATOM 1106 CA GLY A 89 5.279 2.065 -4.767 1.00 0.00 C ATOM 1107 C GLY A 89 5.309 3.490 -4.291 1.00 0.00 C ATOM 1108 O GLY A 89 4.326 4.236 -4.460 1.00 0.00 O ATOM 0 H GLY A 89 3.532 2.186 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.665 1.414 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.941 1.957 -5.626 1.00 0.00 H new ATOM 1112 N HIS A 90 6.428 3.868 -3.710 1.00 0.00 N ATOM 1113 CA HIS A 90 6.630 5.195 -3.144 1.00 0.00 C ATOM 1114 C HIS A 90 6.440 6.306 -4.177 1.00 0.00 C ATOM 1115 O HIS A 90 7.066 6.307 -5.249 1.00 0.00 O ATOM 1116 CB HIS A 90 8.014 5.311 -2.446 1.00 0.00 C ATOM 1117 CG HIS A 90 9.226 5.147 -3.342 1.00 0.00 C ATOM 1118 ND1 HIS A 90 10.075 6.184 -3.707 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.744 4.032 -3.908 1.00 0.00 C ATOM 1120 CE1 HIS A 90 11.053 5.670 -4.457 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.899 4.367 -4.609 1.00 0.00 N ATOM 0 H HIS A 90 7.238 3.256 -3.614 1.00 0.00 H new ATOM 0 HA HIS A 90 5.858 5.330 -2.387 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.074 6.286 -1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.065 4.560 -1.658 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.970 7.165 -3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.327 3.039 -3.828 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.863 6.244 -4.883 1.00 0.00 H new ATOM 1129 N GLY A 91 5.542 7.211 -3.874 1.00 0.00 N ATOM 1130 CA GLY A 91 5.308 8.335 -4.732 1.00 0.00 C ATOM 1131 C GLY A 91 4.246 8.055 -5.761 1.00 0.00 C ATOM 1132 O GLY A 91 3.983 8.876 -6.639 1.00 0.00 O ATOM 0 H GLY A 91 4.962 7.186 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.010 9.193 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.236 8.605 -5.235 1.00 0.00 H new ATOM 1136 N THR A 92 3.636 6.901 -5.673 1.00 0.00 N ATOM 1137 CA THR A 92 2.612 6.535 -6.606 1.00 0.00 C ATOM 1138 C THR A 92 1.289 6.363 -5.852 1.00 0.00 C ATOM 1139 O THR A 92 1.283 5.931 -4.681 1.00 0.00 O ATOM 1140 CB THR A 92 2.997 5.217 -7.308 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.379 5.292 -7.725 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.123 4.976 -8.535 1.00 0.00 C ATOM 0 H THR A 92 3.835 6.199 -4.960 1.00 0.00 H new ATOM 0 HA THR A 92 2.501 7.315 -7.360 1.00 0.00 H new ATOM 0 HB THR A 92 2.850 4.395 -6.608 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.632 4.457 -8.171 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.415 4.040 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.078 4.918 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.251 5.798 -9.240 1.00 0.00 H new ATOM 1150 N CYS A 93 0.196 6.697 -6.496 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.101 6.567 -5.889 1.00 0.00 C ATOM 1152 C CYS A 93 -2.060 6.012 -6.920 1.00 0.00 C ATOM 1153 O CYS A 93 -1.832 6.138 -8.127 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.661 7.921 -5.453 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.478 9.139 -4.725 1.00 0.00 S ATOM 0 H CYS A 93 0.183 7.063 -7.448 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.997 5.919 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.131 8.385 -6.320 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.449 7.739 -4.722 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.077 5.362 -6.466 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.130 4.904 -7.322 1.00 0.00 C ATOM 1162 C ILE A 94 -5.210 5.944 -7.301 1.00 0.00 C ATOM 1163 O ILE A 94 -5.654 6.312 -6.235 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.737 3.597 -6.825 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.653 2.594 -6.561 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.697 3.049 -7.873 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.168 1.278 -6.013 1.00 0.00 C ATOM 0 H ILE A 94 -3.207 5.129 -5.482 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.722 4.738 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.279 3.786 -5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.110 2.405 -7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.940 3.019 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.130 2.115 -7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.492 3.773 -8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.156 2.867 -8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.330 0.601 -5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.686 1.454 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.859 0.831 -6.728 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.607 6.412 -8.438 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.680 7.417 -8.525 1.00 0.00 C ATOM 1181 C ASP A 95 -8.033 6.815 -8.180 1.00 0.00 C ATOM 1182 O ASP A 95 -8.808 7.385 -7.404 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.725 8.093 -9.903 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.552 9.017 -10.142 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.479 8.554 -10.605 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.680 10.233 -9.869 1.00 0.00 O ATOM 0 H ASP A 95 -5.219 6.130 -9.338 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.450 8.186 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.742 7.327 -10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.652 8.659 -9.995 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.310 5.664 -8.745 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.532 4.941 -8.481 1.00 0.00 C ATOM 1193 C ASP A 96 -9.197 3.507 -8.181 1.00 0.00 C ATOM 1194 O ASP A 96 -9.018 2.695 -9.105 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.491 4.917 -9.670 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.070 6.232 -10.135 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.340 7.049 -10.723 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.305 6.428 -10.004 1.00 0.00 O ATOM 0 H ASP A 96 -7.689 5.199 -9.407 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.014 5.454 -7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.968 4.465 -10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.321 4.256 -9.418 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.098 3.169 -6.924 1.00 0.00 N ATOM 1204 CA PHE A 97 -8.792 1.804 -6.535 1.00 0.00 C ATOM 1205 C PHE A 97 -9.905 0.858 -6.971 1.00 0.00 C ATOM 1206 O PHE A 97 -9.655 -0.230 -7.469 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.538 1.710 -5.028 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.243 0.322 -4.575 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -7.098 -0.316 -4.998 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -9.107 -0.346 -3.736 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -6.816 -1.596 -4.602 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -8.830 -1.626 -3.333 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.681 -2.251 -3.769 1.00 0.00 C ATOM 0 H PHE A 97 -9.224 3.815 -6.145 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.877 1.499 -7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.702 2.358 -4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.412 2.083 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.412 0.201 -5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -10.008 0.142 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.916 -2.085 -4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.511 -2.145 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.463 -3.260 -3.452 1.00 0.00 H new ATOM 1223 N THR A 98 -11.114 1.349 -6.885 1.00 0.00 N ATOM 1224 CA THR A 98 -12.308 0.582 -7.190 1.00 0.00 C ATOM 1225 C THR A 98 -12.368 0.149 -8.676 1.00 0.00 C ATOM 1226 O THR A 98 -12.920 -0.900 -9.007 1.00 0.00 O ATOM 1227 CB THR A 98 -13.582 1.389 -6.788 1.00 0.00 C ATOM 1228 OG1 THR A 98 -14.787 0.708 -7.183 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.556 2.797 -7.377 1.00 0.00 C ATOM 0 H THR A 98 -11.307 2.308 -6.597 1.00 0.00 H new ATOM 0 HA THR A 98 -12.269 -0.335 -6.602 1.00 0.00 H new ATOM 0 HB THR A 98 -13.577 1.469 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.566 1.239 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.457 3.333 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.679 3.329 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.514 2.736 -8.464 1.00 0.00 H new ATOM 1237 N LYS A 99 -11.749 0.920 -9.549 1.00 0.00 N ATOM 1238 CA LYS A 99 -11.783 0.630 -10.981 1.00 0.00 C ATOM 1239 C LYS A 99 -10.601 -0.260 -11.344 1.00 0.00 C ATOM 1240 O LYS A 99 -10.533 -0.816 -12.430 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.689 1.933 -11.776 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.621 3.034 -11.285 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.082 2.761 -11.507 1.00 0.00 C ATOM 1244 CE LYS A 99 -14.938 3.862 -10.866 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.554 5.228 -11.305 1.00 0.00 N ATOM 0 H LYS A 99 -11.215 1.752 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.718 0.124 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.662 2.297 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.912 1.724 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.451 3.187 -10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.358 3.965 -11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.290 2.707 -12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.346 1.793 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.986 3.689 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.850 3.797 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.348 5.880 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.727 5.548 -10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.318 5.214 -12.318 1.00 0.00 H new ATOM 1259 N SER A 100 -9.692 -0.423 -10.396 1.00 0.00 N ATOM 1260 CA SER A 100 -8.467 -1.173 -10.603 1.00 0.00 C ATOM 1261 C SER A 100 -8.667 -2.677 -10.386 1.00 0.00 C ATOM 1262 O SER A 100 -7.704 -3.456 -10.389 1.00 0.00 O ATOM 1263 CB SER A 100 -7.373 -0.620 -9.691 1.00 0.00 C ATOM 1264 OG SER A 100 -7.168 0.771 -9.947 1.00 0.00 O ATOM 0 H SER A 100 -9.785 -0.036 -9.457 1.00 0.00 H new ATOM 0 HA SER A 100 -8.162 -1.052 -11.642 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.652 -0.767 -8.648 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.444 -1.167 -9.853 1.00 0.00 H new ATOM 0 HG SER A 100 -7.910 1.286 -9.567 1.00 0.00 H new ATOM 1270 N GLY A 101 -9.898 -3.080 -10.208 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.194 -4.460 -10.042 1.00 0.00 C ATOM 1272 C GLY A 101 -11.110 -4.687 -8.887 1.00 0.00 C ATOM 1273 O GLY A 101 -12.331 -4.742 -9.045 1.00 0.00 O ATOM 0 H GLY A 101 -10.708 -2.461 -10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.652 -4.847 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.269 -5.016 -9.889 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.534 -4.776 -7.740 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.254 -5.016 -6.515 1.00 0.00 C ATOM 1279 C PHE A 102 -11.215 -3.767 -5.679 1.00 0.00 C ATOM 1280 O PHE A 102 -10.283 -2.983 -5.811 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.640 -6.204 -5.752 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.209 -6.019 -5.288 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.149 -6.159 -6.168 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.931 -5.744 -3.959 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -6.850 -6.029 -5.734 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.632 -5.611 -3.526 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.590 -5.754 -4.411 1.00 0.00 C ATOM 0 H PHE A 102 -9.526 -4.683 -7.612 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.290 -5.269 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.261 -6.412 -4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.684 -7.085 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.345 -6.373 -7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.743 -5.633 -3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.034 -6.143 -6.432 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.430 -5.394 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.571 -5.651 -4.069 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.225 -3.543 -4.874 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.211 -2.372 -4.012 1.00 0.00 C ATOM 1299 C LYS A 103 -12.096 -2.801 -2.543 1.00 0.00 C ATOM 1300 O LYS A 103 -11.888 -1.981 -1.669 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.462 -1.453 -4.222 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.720 -1.824 -3.414 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.280 -3.180 -3.773 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.334 -3.613 -2.775 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.915 -4.931 -3.118 1.00 0.00 N ATOM 0 H LYS A 103 -13.051 -4.136 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.338 -1.779 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.182 -0.430 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.720 -1.461 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.479 -1.808 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.486 -1.066 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.713 -3.146 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.475 -3.915 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.893 -3.659 -1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.127 -2.866 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.631 -5.189 -2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.359 -4.881 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.163 -5.650 -3.128 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.233 -4.096 -2.293 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.227 -4.592 -0.937 1.00 0.00 C ATOM 1321 C GLY A 104 -10.965 -5.337 -0.591 1.00 0.00 C ATOM 1322 O GLY A 104 -10.785 -6.497 -0.989 1.00 0.00 O ATOM 0 H GLY A 104 -12.348 -4.812 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.349 -3.755 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.083 -5.251 -0.793 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.106 -4.695 0.158 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.850 -5.283 0.569 1.00 0.00 C ATOM 1328 C ILE A 105 -9.067 -6.051 1.813 1.00 0.00 C ATOM 1329 O ILE A 105 -9.497 -5.538 2.833 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.776 -4.192 0.788 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.605 -3.402 -0.486 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.446 -4.802 1.200 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.837 -2.122 -0.306 1.00 0.00 C ATOM 0 H ILE A 105 -10.255 -3.747 0.503 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.490 -5.948 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.107 -3.536 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.093 -4.022 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.589 -3.171 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.712 -4.010 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.572 -5.356 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.099 -5.479 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.755 -1.609 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.359 -1.481 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.840 -2.346 0.072 1.00 0.00 H new ATOM 1345 N SER A 106 -8.863 -7.285 1.655 1.00 0.00 N ATOM 1346 CA SER A 106 -8.951 -8.246 2.652 1.00 0.00 C ATOM 1347 C SER A 106 -7.655 -8.446 3.474 1.00 0.00 C ATOM 1348 O SER A 106 -7.713 -8.857 4.627 1.00 0.00 O ATOM 1349 CB SER A 106 -9.472 -9.464 2.030 1.00 0.00 C ATOM 1350 OG SER A 106 -10.834 -9.317 1.688 1.00 0.00 O ATOM 0 H SER A 106 -8.609 -7.680 0.750 1.00 0.00 H new ATOM 0 HA SER A 106 -9.639 -7.906 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.892 -9.696 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.354 -10.304 2.714 1.00 0.00 H new ATOM 0 HG SER A 106 -10.973 -9.613 0.764 1.00 0.00 H new ATOM 1356 N SER A 107 -6.496 -8.218 2.861 1.00 0.00 N ATOM 1357 CA SER A 107 -5.229 -8.318 3.572 1.00 0.00 C ATOM 1358 C SER A 107 -4.188 -7.432 2.879 1.00 0.00 C ATOM 1359 O SER A 107 -4.359 -7.094 1.700 1.00 0.00 O ATOM 1360 CB SER A 107 -4.741 -9.784 3.674 1.00 0.00 C ATOM 1361 OG SER A 107 -4.529 -10.383 2.413 1.00 0.00 O ATOM 0 H SER A 107 -6.410 -7.964 1.877 1.00 0.00 H new ATOM 0 HA SER A 107 -5.374 -7.967 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.813 -9.813 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.475 -10.368 4.229 1.00 0.00 H new ATOM 0 HG SER A 107 -5.393 -10.611 2.010 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.137 -7.049 3.588 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.120 -6.148 3.050 1.00 0.00 C ATOM 1369 C ILE A 108 -0.750 -6.675 3.428 1.00 0.00 C ATOM 1370 O ILE A 108 -0.527 -6.997 4.586 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.247 -4.710 3.649 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.658 -4.157 3.473 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.226 -3.768 3.022 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.811 -2.762 3.993 1.00 0.00 C ATOM 0 H ILE A 108 -2.962 -7.350 4.547 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.257 -6.100 1.970 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.043 -4.781 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.919 -4.175 2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.364 -4.809 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.334 -2.774 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.220 -4.141 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.392 -3.715 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.836 -2.426 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.580 -2.743 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.128 -2.099 3.462 1.00 0.00 H new ATOM 1386 N LYS A 109 0.156 -6.749 2.483 1.00 0.00 N ATOM 1387 CA LYS A 109 1.503 -7.216 2.762 1.00 0.00 C ATOM 1388 C LYS A 109 2.486 -6.084 2.464 1.00 0.00 C ATOM 1389 O LYS A 109 2.439 -5.479 1.387 1.00 0.00 O ATOM 1390 CB LYS A 109 1.856 -8.464 1.918 1.00 0.00 C ATOM 1391 CG LYS A 109 3.166 -9.144 2.338 1.00 0.00 C ATOM 1392 CD LYS A 109 3.643 -10.224 1.346 1.00 0.00 C ATOM 1393 CE LYS A 109 2.636 -11.315 1.133 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.107 -12.365 0.205 1.00 0.00 N ATOM 0 H LYS A 109 -0.010 -6.492 1.510 1.00 0.00 H new ATOM 0 HA LYS A 109 1.566 -7.504 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.042 -9.185 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.928 -8.174 0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.943 -8.386 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.032 -9.597 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.869 -9.755 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.571 -10.662 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.393 -11.770 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.715 -10.881 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.398 -13.124 0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.249 -11.955 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.006 -12.756 0.551 1.00 0.00 H new ATOM 1408 N ARG A 110 3.330 -5.776 3.416 1.00 0.00 N ATOM 1409 CA ARG A 110 4.314 -4.728 3.254 1.00 0.00 C ATOM 1410 C ARG A 110 5.646 -5.337 2.843 1.00 0.00 C ATOM 1411 O ARG A 110 6.231 -6.145 3.583 1.00 0.00 O ATOM 1412 CB ARG A 110 4.507 -3.946 4.552 1.00 0.00 C ATOM 1413 CG ARG A 110 5.411 -2.731 4.406 1.00 0.00 C ATOM 1414 CD ARG A 110 5.801 -2.152 5.760 1.00 0.00 C ATOM 1415 NE ARG A 110 6.720 -3.035 6.499 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.053 -2.900 7.795 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.401 -2.035 8.580 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.014 -3.665 8.307 1.00 0.00 N ATOM 0 H ARG A 110 3.357 -6.241 4.323 1.00 0.00 H new ATOM 0 HA ARG A 110 3.956 -4.045 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.533 -3.621 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.926 -4.611 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.310 -3.011 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.902 -1.968 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.272 -1.180 5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.903 -1.986 6.355 1.00 0.00 H new ATOM 0 HE ARG A 110 7.138 -3.812 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.643 -1.470 8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.662 -1.941 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.491 -4.347 7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.273 -3.569 9.289 1.00 0.00 H new ATOM 1432 N CYS A 111 6.121 -4.914 1.720 1.00 0.00 N ATOM 1433 CA CYS A 111 7.333 -5.391 1.134 1.00 0.00 C ATOM 1434 C CYS A 111 8.274 -4.225 0.953 1.00 0.00 C ATOM 1435 O CYS A 111 7.917 -3.081 1.235 1.00 0.00 O ATOM 1436 CB CYS A 111 6.993 -6.016 -0.210 1.00 0.00 C ATOM 1437 SG CYS A 111 5.707 -7.305 -0.113 1.00 0.00 S ATOM 0 H CYS A 111 5.658 -4.197 1.161 1.00 0.00 H new ATOM 0 HA CYS A 111 7.813 -6.135 1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.660 -5.233 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.897 -6.448 -0.639 1.00 0.00 H new ATOM 1442 N ILE A 112 9.467 -4.498 0.568 1.00 0.00 N ATOM 1443 CA ILE A 112 10.420 -3.472 0.285 1.00 0.00 C ATOM 1444 C ILE A 112 10.944 -3.639 -1.120 1.00 0.00 C ATOM 1445 O ILE A 112 11.165 -4.750 -1.578 1.00 0.00 O ATOM 1446 CB ILE A 112 11.603 -3.461 1.274 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.135 -4.876 1.488 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.198 -2.819 2.597 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.548 -4.921 1.989 1.00 0.00 C ATOM 0 H ILE A 112 9.819 -5.446 0.437 1.00 0.00 H new ATOM 0 HA ILE A 112 9.901 -2.519 0.391 1.00 0.00 H new ATOM 0 HB ILE A 112 12.405 -2.860 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.490 -5.393 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.075 -5.423 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.049 -2.823 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.879 -1.792 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.377 -3.383 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.856 -5.959 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.205 -4.434 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.611 -4.403 2.946 1.00 0.00 H new ATOM 1461 N GLN A 113 11.124 -2.562 -1.797 1.00 0.00 N ATOM 1462 CA GLN A 113 11.628 -2.602 -3.134 1.00 0.00 C ATOM 1463 C GLN A 113 12.969 -1.933 -3.153 1.00 0.00 C ATOM 1464 O GLN A 113 13.117 -0.792 -2.691 1.00 0.00 O ATOM 1465 CB GLN A 113 10.662 -1.977 -4.142 1.00 0.00 C ATOM 1466 CG GLN A 113 11.104 -2.184 -5.582 1.00 0.00 C ATOM 1467 CD GLN A 113 10.085 -1.757 -6.606 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.302 -0.835 -6.399 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.069 -2.443 -7.712 1.00 0.00 N ATOM 0 H GLN A 113 10.928 -1.625 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 113 11.733 -3.642 -3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.670 -2.408 -4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.575 -0.909 -3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.027 -1.629 -5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.334 -3.239 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.735 -3.203 -7.850 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.391 -2.220 -8.440 1.00 0.00 H new ATOM 1478 N THR A 114 13.919 -2.626 -3.678 1.00 0.00 N ATOM 1479 CA THR A 114 15.294 -2.228 -3.658 1.00 0.00 C ATOM 1480 C THR A 114 15.594 -1.182 -4.721 1.00 0.00 C ATOM 1481 O THR A 114 14.711 -0.785 -5.508 1.00 0.00 O ATOM 1482 CB THR A 114 16.145 -3.445 -3.952 1.00 0.00 C ATOM 1483 OG1 THR A 114 15.817 -3.903 -5.261 1.00 0.00 O ATOM 1484 CG2 THR A 114 15.862 -4.549 -2.959 1.00 0.00 C ATOM 0 H THR A 114 13.760 -3.516 -4.150 1.00 0.00 H new ATOM 0 HA THR A 114 15.511 -1.802 -2.678 1.00 0.00 H new ATOM 0 HB THR A 114 17.199 -3.178 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 114 16.640 -4.054 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.484 -5.414 -3.189 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.086 -4.198 -1.952 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.811 -4.832 -3.019 1.00 0.00 H new ATOM 1492 N LYS A 115 16.843 -0.756 -4.767 1.00 0.00 N ATOM 1493 CA LYS A 115 17.290 0.184 -5.752 1.00 0.00 C ATOM 1494 C LYS A 115 17.251 -0.459 -7.145 1.00 0.00 C ATOM 1495 O LYS A 115 17.002 0.219 -8.139 1.00 0.00 O ATOM 1496 CB LYS A 115 18.706 0.684 -5.416 1.00 0.00 C ATOM 1497 CG LYS A 115 19.230 1.746 -6.351 1.00 0.00 C ATOM 1498 CD LYS A 115 18.443 3.029 -6.235 1.00 0.00 C ATOM 1499 CE LYS A 115 18.919 4.035 -7.249 1.00 0.00 C ATOM 1500 NZ LYS A 115 18.543 3.652 -8.626 1.00 0.00 N ATOM 0 H LYS A 115 17.569 -1.058 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 115 16.621 1.045 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.707 1.079 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.390 -0.164 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 115 20.279 1.941 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.184 1.382 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.383 2.827 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.550 3.438 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.496 5.012 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 115 20.003 4.132 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.657 4.471 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.156 2.877 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.551 3.338 -8.641 1.00 0.00 H new ATOM 1514 N ASP A 116 17.432 -1.784 -7.196 1.00 0.00 N ATOM 1515 CA ASP A 116 17.478 -2.492 -8.483 1.00 0.00 C ATOM 1516 C ASP A 116 16.074 -2.827 -8.970 1.00 0.00 C ATOM 1517 O ASP A 116 15.890 -3.272 -10.104 1.00 0.00 O ATOM 1518 CB ASP A 116 18.324 -3.783 -8.402 1.00 0.00 C ATOM 1519 CG ASP A 116 17.640 -4.935 -7.739 1.00 0.00 C ATOM 1520 OD1 ASP A 116 17.744 -5.042 -6.512 1.00 0.00 O ATOM 1521 OD2 ASP A 116 17.007 -5.768 -8.440 1.00 0.00 O ATOM 0 H ASP A 116 17.547 -2.380 -6.377 1.00 0.00 H new ATOM 0 HA ASP A 116 17.954 -1.819 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 116 18.609 -4.079 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 116 19.245 -3.565 -7.862 1.00 0.00 H new ATOM 1526 N GLY A 117 15.094 -2.592 -8.129 1.00 0.00 N ATOM 1527 CA GLY A 117 13.726 -2.791 -8.531 1.00 0.00 C ATOM 1528 C GLY A 117 13.139 -4.127 -8.118 1.00 0.00 C ATOM 1529 O GLY A 117 11.993 -4.434 -8.472 1.00 0.00 O ATOM 0 H GLY A 117 15.219 -2.266 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.116 -1.993 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.662 -2.699 -9.615 1.00 0.00 H new ATOM 1533 N LYS A 118 13.879 -4.927 -7.384 1.00 0.00 N ATOM 1534 CA LYS A 118 13.322 -6.173 -6.898 1.00 0.00 C ATOM 1535 C LYS A 118 12.555 -5.910 -5.631 1.00 0.00 C ATOM 1536 O LYS A 118 12.910 -5.024 -4.843 1.00 0.00 O ATOM 1537 CB LYS A 118 14.379 -7.269 -6.680 1.00 0.00 C ATOM 1538 CG LYS A 118 15.478 -6.874 -5.723 1.00 0.00 C ATOM 1539 CD LYS A 118 16.479 -7.977 -5.404 1.00 0.00 C ATOM 1540 CE LYS A 118 15.856 -9.189 -4.744 1.00 0.00 C ATOM 1541 NZ LYS A 118 16.889 -10.185 -4.388 1.00 0.00 N ATOM 0 H LYS A 118 14.846 -4.746 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 118 12.654 -6.556 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 118 13.887 -8.166 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.823 -7.529 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.017 -6.025 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.024 -6.535 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.970 -8.288 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.253 -7.575 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.316 -8.883 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 118 15.127 -9.640 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 16.438 -11.007 -3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.387 -10.492 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 17.570 -9.758 -3.728 1.00 0.00 H new ATOM 1555 N VAL A 119 11.512 -6.635 -5.447 1.00 0.00 N ATOM 1556 CA VAL A 119 10.689 -6.464 -4.299 1.00 0.00 C ATOM 1557 C VAL A 119 10.913 -7.636 -3.381 1.00 0.00 C ATOM 1558 O VAL A 119 10.662 -8.785 -3.752 1.00 0.00 O ATOM 1559 CB VAL A 119 9.174 -6.359 -4.652 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.365 -5.941 -3.432 1.00 0.00 C ATOM 1561 CG2 VAL A 119 8.934 -5.389 -5.802 1.00 0.00 C ATOM 0 H VAL A 119 11.202 -7.366 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 119 10.965 -5.524 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 119 8.843 -7.347 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.311 -5.874 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.492 -6.680 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.713 -4.970 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.867 -5.341 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.292 -4.398 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.471 -5.733 -6.686 1.00 0.00 H new ATOM 1571 N GLU A 120 11.422 -7.358 -2.231 1.00 0.00 N ATOM 1572 CA GLU A 120 11.655 -8.352 -1.242 1.00 0.00 C ATOM 1573 C GLU A 120 10.546 -8.255 -0.225 1.00 0.00 C ATOM 1574 O GLU A 120 10.090 -7.150 0.090 1.00 0.00 O ATOM 1575 CB GLU A 120 13.011 -8.150 -0.574 1.00 0.00 C ATOM 1576 CG GLU A 120 14.202 -8.255 -1.515 1.00 0.00 C ATOM 1577 CD GLU A 120 15.500 -8.233 -0.768 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.744 -9.155 0.027 1.00 0.00 O ATOM 1579 OE2 GLU A 120 16.322 -7.330 -0.977 1.00 0.00 O ATOM 0 H GLU A 120 11.693 -6.417 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 120 11.666 -9.340 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.025 -7.169 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.125 -8.889 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.130 -9.177 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.177 -7.430 -2.227 1.00 0.00 H new ATOM 1586 N CYS A 121 10.079 -9.362 0.253 1.00 0.00 N ATOM 1587 CA CYS A 121 9.018 -9.345 1.209 1.00 0.00 C ATOM 1588 C CYS A 121 9.182 -10.489 2.142 1.00 0.00 C ATOM 1589 O CYS A 121 9.886 -11.461 1.823 1.00 0.00 O ATOM 1590 CB CYS A 121 7.680 -9.458 0.511 1.00 0.00 C ATOM 1591 SG CYS A 121 6.381 -8.534 1.338 1.00 0.00 S ATOM 0 H CYS A 121 10.415 -10.291 -0.002 1.00 0.00 H new ATOM 0 HA CYS A 121 9.052 -8.405 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.779 -9.099 -0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.393 -10.508 0.455 1.00 0.00 H new ATOM 1596 N ILE A 122 8.566 -10.403 3.279 1.00 0.00 N ATOM 1597 CA ILE A 122 8.637 -11.467 4.205 1.00 0.00 C ATOM 1598 C ILE A 122 7.243 -11.989 4.513 1.00 0.00 C ATOM 1599 O ILE A 122 6.352 -11.242 4.944 1.00 0.00 O ATOM 1600 CB ILE A 122 9.444 -11.109 5.496 1.00 0.00 C ATOM 1601 CG1 ILE A 122 9.530 -12.308 6.461 1.00 0.00 C ATOM 1602 CG2 ILE A 122 8.891 -9.873 6.194 1.00 0.00 C ATOM 1603 CD1 ILE A 122 10.334 -13.479 5.924 1.00 0.00 C ATOM 0 H ILE A 122 8.010 -9.603 3.580 1.00 0.00 H new ATOM 0 HA ILE A 122 9.205 -12.271 3.736 1.00 0.00 H new ATOM 0 HB ILE A 122 10.458 -10.868 5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.975 -11.975 7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 122 8.521 -12.649 6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.483 -9.663 7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 122 8.939 -9.020 5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.854 -10.050 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 122 10.346 -14.281 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 122 9.878 -13.841 5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 122 11.355 -13.157 5.721 1.00 0.00 H new ATOM 1615 N ASN A 123 7.042 -13.243 4.223 1.00 0.00 N ATOM 1616 CA ASN A 123 5.780 -13.883 4.485 1.00 0.00 C ATOM 1617 C ASN A 123 5.778 -14.333 5.913 1.00 0.00 C ATOM 1618 O ASN A 123 6.499 -15.251 6.289 1.00 0.00 O ATOM 1619 CB ASN A 123 5.521 -15.080 3.553 1.00 0.00 C ATOM 1620 CG ASN A 123 5.458 -14.717 2.072 1.00 0.00 C ATOM 1621 OD1 ASN A 123 5.111 -13.582 1.687 1.00 0.00 O ATOM 1622 ND2 ASN A 123 5.769 -15.664 1.223 1.00 0.00 N ATOM 0 H ASN A 123 7.744 -13.850 3.800 1.00 0.00 H new ATOM 0 HA ASN A 123 4.980 -13.167 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 123 6.309 -15.819 3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.582 -15.553 3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.731 -15.482 0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.050 -16.583 1.565 1.00 0.00 H new ATOM 1629 N GLN A 124 5.034 -13.647 6.708 1.00 0.00 N ATOM 1630 CA GLN A 124 4.942 -13.920 8.104 1.00 0.00 C ATOM 1631 C GLN A 124 3.664 -14.670 8.366 1.00 0.00 C ATOM 1632 O GLN A 124 3.715 -15.896 8.619 1.00 0.00 O ATOM 1633 CB GLN A 124 4.997 -12.607 8.889 1.00 0.00 C ATOM 1634 CG GLN A 124 6.333 -11.867 8.756 1.00 0.00 C ATOM 1635 CD GLN A 124 7.473 -12.516 9.541 1.00 0.00 C ATOM 1636 OE1 GLN A 124 7.506 -13.734 9.764 1.00 0.00 O ATOM 1637 NE2 GLN A 124 8.421 -11.718 9.946 1.00 0.00 N ATOM 1638 OXT GLN A 124 2.581 -14.070 8.229 1.00 0.00 O ATOM 0 H GLN A 124 4.459 -12.862 6.402 1.00 0.00 H new ATOM 0 HA GLN A 124 5.780 -14.536 8.431 1.00 0.00 H new ATOM 0 HB2 GLN A 124 4.194 -11.954 8.546 1.00 0.00 H new ATOM 0 HB3 GLN A 124 4.810 -12.815 9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.609 -11.820 7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.206 -10.840 9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.366 -10.719 9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.217 -12.093 10.461 1.00 0.00 H new TER 1647 GLN A 124