USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.0809 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0648) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 152:sc= -9.17! USER MOD Single : A 12 SER OG : rot 180:sc= 0.074 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -6:sc= 0.555 USER MOD Single : A 25 LYS NZ :NH3+ -110:sc= -0.0579 (180deg=-0.175) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -6.61! C(o=-9.3!,f=-6.6!) USER MOD Single : A 36 ASN : amide:sc= 0.196 K(o=0.2,f=-0.37) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -145:sc= -0.164 (180deg=-1.77!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -95:sc= 0.593 USER MOD Single : A 57 THR OG1 : rot -26:sc= -0.102 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -40:sc= -5.41! USER MOD Single : A 67 GLN : amide:sc= 0.104 X(o=0.1,f=-0.12) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.15) USER MOD Single : A 75 GLN : amide:sc= -0.477 X(o=-0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 72.082 -12.022 5.994 1.00 0.00 N ATOM 2 CA ALA A 1 71.622 -10.888 6.846 1.00 0.00 C ATOM 3 C ALA A 1 70.179 -10.515 6.496 1.00 0.00 C ATOM 4 O ALA A 1 69.671 -10.872 5.451 1.00 0.00 O ATOM 5 CB ALA A 1 72.570 -9.734 6.518 1.00 0.00 C ATOM 0 H1 ALA A 1 72.148 -12.885 6.571 1.00 0.00 H new ATOM 0 H2 ALA A 1 71.403 -12.173 5.221 1.00 0.00 H new ATOM 0 H3 ALA A 1 73.017 -11.800 5.595 1.00 0.00 H new ATOM 0 HA ALA A 1 71.637 -11.137 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 1 72.296 -8.859 7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 1 73.593 -10.025 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 1 72.498 -9.494 5.457 1.00 0.00 H new ATOM 13 N LYS A 2 69.515 -9.802 7.364 1.00 0.00 N ATOM 14 CA LYS A 2 68.104 -9.408 7.085 1.00 0.00 C ATOM 15 C LYS A 2 68.057 -8.278 6.052 1.00 0.00 C ATOM 16 O LYS A 2 68.513 -7.179 6.299 1.00 0.00 O ATOM 17 CB LYS A 2 67.556 -8.928 8.428 1.00 0.00 C ATOM 18 CG LYS A 2 66.517 -9.925 8.944 1.00 0.00 C ATOM 19 CD LYS A 2 66.672 -10.086 10.458 1.00 0.00 C ATOM 20 CE LYS A 2 66.201 -11.480 10.876 1.00 0.00 C ATOM 21 NZ LYS A 2 64.716 -11.427 10.782 1.00 0.00 N ATOM 0 H LYS A 2 69.888 -9.475 8.255 1.00 0.00 H new ATOM 0 HA LYS A 2 67.521 -10.233 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 2 68.368 -8.828 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 2 67.105 -7.942 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 2 65.512 -9.576 8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 2 66.645 -10.888 8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 2 67.714 -9.942 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 2 66.090 -9.324 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 2 66.611 -12.249 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 2 66.524 -11.719 11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 64.310 -12.275 11.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 64.367 -10.578 11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 64.433 -11.391 9.782 1.00 0.00 H new ATOM 35 N GLN A 3 67.505 -8.538 4.899 1.00 0.00 N ATOM 36 CA GLN A 3 67.424 -7.479 3.851 1.00 0.00 C ATOM 37 C GLN A 3 65.990 -7.371 3.326 1.00 0.00 C ATOM 38 O GLN A 3 65.561 -8.153 2.502 1.00 0.00 O ATOM 39 CB GLN A 3 68.371 -7.943 2.742 1.00 0.00 C ATOM 40 CG GLN A 3 68.986 -6.723 2.050 1.00 0.00 C ATOM 41 CD GLN A 3 69.467 -7.115 0.651 1.00 0.00 C ATOM 42 OE1 GLN A 3 69.150 -6.458 -0.320 1.00 0.00 O ATOM 43 NE2 GLN A 3 70.227 -8.166 0.507 1.00 0.00 N ATOM 0 H GLN A 3 67.106 -9.439 4.636 1.00 0.00 H new ATOM 0 HA GLN A 3 67.699 -6.496 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 3 69.157 -8.572 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 3 67.829 -8.550 2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 3 68.250 -5.922 1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 3 69.820 -6.340 2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 3 70.494 -8.718 1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 3 70.554 -8.435 -0.421 1.00 0.00 H new ATOM 52 N ASP A 4 65.241 -6.412 3.801 1.00 0.00 N ATOM 53 CA ASP A 4 63.834 -6.269 3.329 1.00 0.00 C ATOM 54 C ASP A 4 63.466 -4.805 3.183 1.00 0.00 C ATOM 55 O ASP A 4 63.734 -3.997 4.031 1.00 0.00 O ATOM 56 CB ASP A 4 62.987 -6.997 4.393 1.00 0.00 C ATOM 57 CG ASP A 4 61.950 -6.061 5.040 1.00 0.00 C ATOM 58 OD1 ASP A 4 61.254 -5.378 4.306 1.00 0.00 O ATOM 59 OD2 ASP A 4 61.864 -6.058 6.257 1.00 0.00 O ATOM 0 H ASP A 4 65.541 -5.725 4.492 1.00 0.00 H new ATOM 0 HA ASP A 4 63.669 -6.700 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.476 -7.843 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 4 63.642 -7.401 5.164 1.00 0.00 H new ATOM 64 N TYR A 5 62.859 -4.485 2.085 1.00 0.00 N ATOM 65 CA TYR A 5 62.449 -3.072 1.822 1.00 0.00 C ATOM 66 C TYR A 5 61.870 -2.432 3.079 1.00 0.00 C ATOM 67 O TYR A 5 62.393 -1.450 3.566 1.00 0.00 O ATOM 68 CB TYR A 5 61.428 -3.078 0.675 1.00 0.00 C ATOM 69 CG TYR A 5 61.201 -4.464 0.143 1.00 0.00 C ATOM 70 CD1 TYR A 5 62.023 -4.944 -0.880 1.00 0.00 C ATOM 71 CD2 TYR A 5 60.196 -5.265 0.675 1.00 0.00 C ATOM 72 CE1 TYR A 5 61.835 -6.235 -1.380 1.00 0.00 C ATOM 73 CE2 TYR A 5 60.004 -6.561 0.178 1.00 0.00 C ATOM 74 CZ TYR A 5 60.823 -7.046 -0.850 1.00 0.00 C ATOM 75 OH TYR A 5 60.634 -8.323 -1.339 1.00 0.00 O ATOM 0 H TYR A 5 62.623 -5.145 1.344 1.00 0.00 H new ATOM 0 HA TYR A 5 63.316 -2.476 1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.483 -2.663 1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.780 -2.432 -0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 5 62.804 -4.317 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 5 59.566 -4.890 1.468 1.00 0.00 H new ATOM 0 HE1 TYR A 5 62.468 -6.607 -2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 5 59.224 -7.186 0.588 1.00 0.00 H new ATOM 0 HH TYR A 5 59.892 -8.750 -0.861 1.00 0.00 H new ATOM 85 N TYR A 6 60.817 -2.969 3.635 1.00 0.00 N ATOM 86 CA TYR A 6 60.283 -2.349 4.878 1.00 0.00 C ATOM 87 C TYR A 6 61.452 -2.152 5.836 1.00 0.00 C ATOM 88 O TYR A 6 61.470 -1.245 6.646 1.00 0.00 O ATOM 89 CB TYR A 6 59.238 -3.313 5.412 1.00 0.00 C ATOM 90 CG TYR A 6 57.992 -3.140 4.582 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.089 -2.120 4.902 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.745 -3.982 3.493 1.00 0.00 C ATOM 93 CE1 TYR A 6 55.937 -1.942 4.133 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.589 -3.802 2.725 1.00 0.00 C ATOM 95 CZ TYR A 6 55.689 -2.782 3.049 1.00 0.00 C ATOM 96 OH TYR A 6 54.558 -2.603 2.294 1.00 0.00 O ATOM 0 H TYR A 6 60.316 -3.789 3.292 1.00 0.00 H new ATOM 0 HA TYR A 6 59.820 -1.374 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.598 -4.340 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.030 -3.109 6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.283 -1.471 5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.443 -4.768 3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.239 -1.155 4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.392 -4.450 1.884 1.00 0.00 H new ATOM 0 HH TYR A 6 54.722 -2.915 1.380 1.00 0.00 H new ATOM 106 N GLU A 7 62.465 -2.965 5.689 1.00 0.00 N ATOM 107 CA GLU A 7 63.685 -2.801 6.522 1.00 0.00 C ATOM 108 C GLU A 7 64.625 -1.833 5.796 1.00 0.00 C ATOM 109 O GLU A 7 65.349 -1.070 6.404 1.00 0.00 O ATOM 110 CB GLU A 7 64.310 -4.196 6.605 1.00 0.00 C ATOM 111 CG GLU A 7 64.666 -4.513 8.060 1.00 0.00 C ATOM 112 CD GLU A 7 66.138 -4.917 8.152 1.00 0.00 C ATOM 113 OE1 GLU A 7 66.895 -4.533 7.274 1.00 0.00 O ATOM 114 OE2 GLU A 7 66.486 -5.603 9.098 1.00 0.00 O ATOM 0 H GLU A 7 62.497 -3.738 5.024 1.00 0.00 H new ATOM 0 HA GLU A 7 63.481 -2.405 7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.614 -4.941 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.204 -4.243 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.477 -3.643 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.033 -5.319 8.432 1.00 0.00 H new ATOM 121 N ILE A 8 64.602 -1.867 4.484 1.00 0.00 N ATOM 122 CA ILE A 8 65.472 -0.962 3.685 1.00 0.00 C ATOM 123 C ILE A 8 65.242 0.482 4.125 1.00 0.00 C ATOM 124 O ILE A 8 66.164 1.242 4.346 1.00 0.00 O ATOM 125 CB ILE A 8 65.034 -1.152 2.238 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.445 -2.555 1.765 1.00 0.00 C ATOM 127 CG2 ILE A 8 65.716 -0.106 1.363 1.00 0.00 C ATOM 128 CD1 ILE A 8 66.962 -2.633 1.617 1.00 0.00 C ATOM 0 H ILE A 8 64.011 -2.490 3.933 1.00 0.00 H new ATOM 0 HA ILE A 8 66.532 -1.182 3.814 1.00 0.00 H new ATOM 0 HB ILE A 8 63.952 -1.041 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 8 65.102 -3.303 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.966 -2.781 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.405 -0.239 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.434 0.891 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 8 66.798 -0.221 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 8 67.244 -3.631 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 8 67.295 -1.897 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 8 67.432 -2.427 2.578 1.00 0.00 H new ATOM 140 N LEU A 9 63.998 0.848 4.264 1.00 0.00 N ATOM 141 CA LEU A 9 63.644 2.224 4.706 1.00 0.00 C ATOM 142 C LEU A 9 63.610 2.262 6.238 1.00 0.00 C ATOM 143 O LEU A 9 63.079 3.171 6.844 1.00 0.00 O ATOM 144 CB LEU A 9 62.256 2.450 4.110 1.00 0.00 C ATOM 145 CG LEU A 9 62.295 2.112 2.627 1.00 0.00 C ATOM 146 CD1 LEU A 9 60.871 2.023 2.082 1.00 0.00 C ATOM 147 CD2 LEU A 9 63.066 3.197 1.875 1.00 0.00 C ATOM 0 H LEU A 9 63.199 0.240 4.086 1.00 0.00 H new ATOM 0 HA LEU A 9 64.350 2.991 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 9 61.521 1.827 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 9 61.949 3.486 4.252 1.00 0.00 H new ATOM 0 HG LEU A 9 62.793 1.152 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 9 60.902 1.781 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 9 60.325 1.245 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.368 2.980 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 9 63.093 2.954 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 9 62.571 4.158 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 9 64.084 3.254 2.261 1.00 0.00 H new ATOM 159 N GLY A 10 64.177 1.264 6.867 1.00 0.00 N ATOM 160 CA GLY A 10 64.192 1.218 8.357 1.00 0.00 C ATOM 161 C GLY A 10 62.774 1.401 8.898 1.00 0.00 C ATOM 162 O GLY A 10 62.557 2.115 9.856 1.00 0.00 O ATOM 0 H GLY A 10 64.632 0.475 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.600 0.266 8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.843 2.000 8.747 1.00 0.00 H new ATOM 166 N VAL A 11 61.802 0.768 8.297 1.00 0.00 N ATOM 167 CA VAL A 11 60.402 0.928 8.801 1.00 0.00 C ATOM 168 C VAL A 11 59.806 -0.411 9.204 1.00 0.00 C ATOM 169 O VAL A 11 60.450 -1.440 9.173 1.00 0.00 O ATOM 170 CB VAL A 11 59.553 1.484 7.653 1.00 0.00 C ATOM 171 CG1 VAL A 11 58.734 2.658 8.160 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.408 1.951 6.486 1.00 0.00 C ATOM 0 H VAL A 11 61.911 0.154 7.490 1.00 0.00 H new ATOM 0 HA VAL A 11 60.413 1.588 9.668 1.00 0.00 H new ATOM 0 HB VAL A 11 58.907 0.681 7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.128 3.057 7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.083 2.325 8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 11 59.403 3.435 8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.765 2.337 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.083 2.738 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.990 1.113 6.103 1.00 0.00 H new ATOM 182 N SER A 12 58.549 -0.392 9.547 1.00 0.00 N ATOM 183 CA SER A 12 57.852 -1.644 9.917 1.00 0.00 C ATOM 184 C SER A 12 57.301 -2.293 8.660 1.00 0.00 C ATOM 185 O SER A 12 56.847 -1.620 7.761 1.00 0.00 O ATOM 186 CB SER A 12 56.720 -1.214 10.851 1.00 0.00 C ATOM 187 OG SER A 12 56.973 0.104 11.320 1.00 0.00 O ATOM 0 H SER A 12 57.973 0.449 9.586 1.00 0.00 H new ATOM 0 HA SER A 12 58.507 -2.369 10.401 1.00 0.00 H new ATOM 0 HB2 SER A 12 55.766 -1.248 10.325 1.00 0.00 H new ATOM 0 HB3 SER A 12 56.645 -1.903 11.692 1.00 0.00 H new ATOM 0 HG SER A 12 56.248 0.383 11.918 1.00 0.00 H new ATOM 193 N LYS A 13 57.329 -3.592 8.580 1.00 0.00 N ATOM 194 CA LYS A 13 56.791 -4.249 7.365 1.00 0.00 C ATOM 195 C LYS A 13 55.439 -3.635 7.015 1.00 0.00 C ATOM 196 O LYS A 13 54.984 -3.698 5.890 1.00 0.00 O ATOM 197 CB LYS A 13 56.662 -5.723 7.719 1.00 0.00 C ATOM 198 CG LYS A 13 55.939 -5.873 9.060 1.00 0.00 C ATOM 199 CD LYS A 13 56.805 -6.691 10.020 1.00 0.00 C ATOM 200 CE LYS A 13 56.157 -6.711 11.407 1.00 0.00 C ATOM 201 NZ LYS A 13 56.887 -5.673 12.188 1.00 0.00 N ATOM 0 H LYS A 13 57.697 -4.219 9.295 1.00 0.00 H new ATOM 0 HA LYS A 13 57.434 -4.119 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.111 -6.247 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 13 57.650 -6.181 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 13 55.734 -4.891 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 13 54.977 -6.364 8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.919 -7.709 9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 13 57.804 -6.260 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 13 55.092 -6.485 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 13 56.249 -7.693 11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.499 -5.627 13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.897 -5.918 12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.775 -4.748 11.726 1.00 0.00 H new ATOM 215 N THR A 14 54.798 -3.033 7.977 1.00 0.00 N ATOM 216 CA THR A 14 53.479 -2.401 7.720 1.00 0.00 C ATOM 217 C THR A 14 53.607 -0.875 7.819 1.00 0.00 C ATOM 218 O THR A 14 52.635 -0.178 8.027 1.00 0.00 O ATOM 219 CB THR A 14 52.567 -2.957 8.817 1.00 0.00 C ATOM 220 OG1 THR A 14 52.756 -2.210 10.011 1.00 0.00 O ATOM 221 CG2 THR A 14 52.915 -4.429 9.069 1.00 0.00 C ATOM 0 H THR A 14 55.135 -2.952 8.936 1.00 0.00 H new ATOM 0 HA THR A 14 53.087 -2.615 6.726 1.00 0.00 H new ATOM 0 HB THR A 14 51.526 -2.880 8.503 1.00 0.00 H new ATOM 0 HG1 THR A 14 52.172 -2.563 10.714 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.267 -4.828 9.850 1.00 0.00 H new ATOM 0 HG22 THR A 14 52.771 -4.999 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 14 53.955 -4.508 9.385 1.00 0.00 H new ATOM 229 N ALA A 15 54.811 -0.362 7.677 1.00 0.00 N ATOM 230 CA ALA A 15 55.055 1.105 7.752 1.00 0.00 C ATOM 231 C ALA A 15 54.104 1.900 6.840 1.00 0.00 C ATOM 232 O ALA A 15 52.960 1.552 6.637 1.00 0.00 O ATOM 233 CB ALA A 15 56.487 1.243 7.251 1.00 0.00 C ATOM 0 H ALA A 15 55.649 -0.919 7.509 1.00 0.00 H new ATOM 0 HA ALA A 15 54.892 1.496 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 15 56.777 2.294 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.155 0.675 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.555 0.860 6.233 1.00 0.00 H new ATOM 239 N GLU A 16 54.591 2.972 6.288 1.00 0.00 N ATOM 240 CA GLU A 16 53.761 3.814 5.390 1.00 0.00 C ATOM 241 C GLU A 16 54.668 4.598 4.436 1.00 0.00 C ATOM 242 O GLU A 16 55.777 4.200 4.155 1.00 0.00 O ATOM 243 CB GLU A 16 52.999 4.760 6.316 1.00 0.00 C ATOM 244 CG GLU A 16 51.501 4.465 6.217 1.00 0.00 C ATOM 245 CD GLU A 16 50.713 5.773 6.307 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.999 6.554 7.200 1.00 0.00 O ATOM 247 OE2 GLU A 16 49.837 5.972 5.482 1.00 0.00 O ATOM 0 H GLU A 16 55.545 3.305 6.424 1.00 0.00 H new ATOM 0 HA GLU A 16 53.080 3.225 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.339 4.634 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.197 5.796 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.281 3.960 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.199 3.791 7.019 1.00 0.00 H new ATOM 254 N GLU A 17 54.195 5.694 3.924 1.00 0.00 N ATOM 255 CA GLU A 17 55.018 6.498 2.963 1.00 0.00 C ATOM 256 C GLU A 17 55.877 7.573 3.660 1.00 0.00 C ATOM 257 O GLU A 17 57.039 7.738 3.347 1.00 0.00 O ATOM 258 CB GLU A 17 54.005 7.151 2.018 1.00 0.00 C ATOM 259 CG GLU A 17 53.129 8.142 2.789 1.00 0.00 C ATOM 260 CD GLU A 17 52.069 8.719 1.850 1.00 0.00 C ATOM 261 OE1 GLU A 17 52.356 9.715 1.205 1.00 0.00 O ATOM 262 OE2 GLU A 17 50.988 8.155 1.789 1.00 0.00 O ATOM 0 H GLU A 17 53.271 6.076 4.125 1.00 0.00 H new ATOM 0 HA GLU A 17 55.731 5.858 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.528 7.666 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.381 6.386 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.651 7.643 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.743 8.944 3.200 1.00 0.00 H new ATOM 269 N ARG A 18 55.312 8.331 4.565 1.00 0.00 N ATOM 270 CA ARG A 18 56.096 9.424 5.234 1.00 0.00 C ATOM 271 C ARG A 18 57.331 8.886 5.967 1.00 0.00 C ATOM 272 O ARG A 18 58.259 9.617 6.255 1.00 0.00 O ATOM 273 CB ARG A 18 55.120 10.057 6.224 1.00 0.00 C ATOM 274 CG ARG A 18 54.423 8.960 7.030 1.00 0.00 C ATOM 275 CD ARG A 18 54.349 9.378 8.500 1.00 0.00 C ATOM 276 NE ARG A 18 53.273 8.535 9.089 1.00 0.00 N ATOM 277 CZ ARG A 18 52.243 9.098 9.661 1.00 0.00 C ATOM 278 NH1 ARG A 18 52.327 9.510 10.896 1.00 0.00 N ATOM 279 NH2 ARG A 18 51.130 9.251 8.998 1.00 0.00 N ATOM 0 H ARG A 18 54.343 8.244 4.872 1.00 0.00 H new ATOM 0 HA ARG A 18 56.478 10.137 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.653 10.732 6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.381 10.655 5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.420 8.787 6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.968 8.021 6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.301 9.213 9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.117 10.439 8.597 1.00 0.00 H new ATOM 0 HE ARG A 18 53.340 7.518 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.197 9.392 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 18 51.522 9.950 11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.064 8.931 8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 18 50.326 9.691 9.446 1.00 0.00 H new ATOM 293 N GLU A 19 57.370 7.620 6.234 1.00 0.00 N ATOM 294 CA GLU A 19 58.565 7.030 6.907 1.00 0.00 C ATOM 295 C GLU A 19 59.427 6.409 5.817 1.00 0.00 C ATOM 296 O GLU A 19 60.609 6.180 5.979 1.00 0.00 O ATOM 297 CB GLU A 19 58.073 5.951 7.897 1.00 0.00 C ATOM 298 CG GLU A 19 56.572 5.671 7.738 1.00 0.00 C ATOM 299 CD GLU A 19 56.063 4.891 8.952 1.00 0.00 C ATOM 300 OE1 GLU A 19 56.399 3.723 9.064 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.347 5.474 9.748 1.00 0.00 O ATOM 0 H GLU A 19 56.625 6.958 6.017 1.00 0.00 H new ATOM 0 HA GLU A 19 59.142 7.773 7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.633 5.030 7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 19 58.276 6.275 8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.025 6.609 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 19 56.393 5.101 6.826 1.00 0.00 H new ATOM 308 N ILE A 20 58.822 6.170 4.687 1.00 0.00 N ATOM 309 CA ILE A 20 59.551 5.600 3.533 1.00 0.00 C ATOM 310 C ILE A 20 60.283 6.733 2.836 1.00 0.00 C ATOM 311 O ILE A 20 61.495 6.760 2.761 1.00 0.00 O ATOM 312 CB ILE A 20 58.438 5.038 2.652 1.00 0.00 C ATOM 313 CG1 ILE A 20 58.105 3.611 3.082 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.871 5.042 1.185 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.239 3.461 4.602 1.00 0.00 C ATOM 0 H ILE A 20 57.833 6.351 4.517 1.00 0.00 H new ATOM 0 HA ILE A 20 60.288 4.839 3.788 1.00 0.00 H new ATOM 0 HB ILE A 20 57.554 5.666 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 20 57.090 3.360 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 20 58.772 2.909 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.068 4.639 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.091 6.063 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.763 4.427 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 20 57.998 2.438 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 20 59.262 3.690 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 20 57.553 4.148 5.097 1.00 0.00 H new ATOM 327 N ARG A 21 59.547 7.691 2.355 1.00 0.00 N ATOM 328 CA ARG A 21 60.200 8.843 1.701 1.00 0.00 C ATOM 329 C ARG A 21 61.209 9.402 2.690 1.00 0.00 C ATOM 330 O ARG A 21 62.247 9.905 2.327 1.00 0.00 O ATOM 331 CB ARG A 21 59.071 9.845 1.443 1.00 0.00 C ATOM 332 CG ARG A 21 58.370 10.179 2.761 1.00 0.00 C ATOM 333 CD ARG A 21 59.063 11.373 3.421 1.00 0.00 C ATOM 334 NE ARG A 21 58.073 12.483 3.335 1.00 0.00 N ATOM 335 CZ ARG A 21 58.256 13.583 4.015 1.00 0.00 C ATOM 336 NH1 ARG A 21 59.298 13.711 4.791 1.00 0.00 N ATOM 337 NH2 ARG A 21 57.393 14.557 3.915 1.00 0.00 N ATOM 0 H ARG A 21 58.528 7.723 2.388 1.00 0.00 H new ATOM 0 HA ARG A 21 60.717 8.600 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.473 10.753 0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.356 9.428 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.320 10.410 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.395 9.317 3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.325 11.156 4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.989 11.628 2.905 1.00 0.00 H new ATOM 0 HE ARG A 21 57.249 12.383 2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 21 59.973 12.950 4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 21 59.437 14.572 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 21 56.580 14.457 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 21 57.532 15.418 4.444 1.00 0.00 H new ATOM 351 N LYS A 22 60.890 9.284 3.948 1.00 0.00 N ATOM 352 CA LYS A 22 61.788 9.773 5.026 1.00 0.00 C ATOM 353 C LYS A 22 62.971 8.816 5.219 1.00 0.00 C ATOM 354 O LYS A 22 64.119 9.215 5.239 1.00 0.00 O ATOM 355 CB LYS A 22 60.902 9.762 6.278 1.00 0.00 C ATOM 356 CG LYS A 22 61.782 9.837 7.530 1.00 0.00 C ATOM 357 CD LYS A 22 62.853 10.918 7.349 1.00 0.00 C ATOM 358 CE LYS A 22 62.187 12.295 7.328 1.00 0.00 C ATOM 359 NZ LYS A 22 62.473 12.882 8.667 1.00 0.00 N ATOM 0 H LYS A 22 60.024 8.859 4.280 1.00 0.00 H new ATOM 0 HA LYS A 22 62.208 10.754 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.212 10.605 6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.297 8.856 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.169 10.062 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.254 8.872 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.579 10.865 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.400 10.752 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 22 62.592 12.917 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.114 12.212 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.047 13.829 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.070 12.272 9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.502 12.955 8.801 1.00 0.00 H new ATOM 373 N ALA A 23 62.689 7.554 5.376 1.00 0.00 N ATOM 374 CA ALA A 23 63.773 6.556 5.591 1.00 0.00 C ATOM 375 C ALA A 23 64.908 6.781 4.601 1.00 0.00 C ATOM 376 O ALA A 23 66.069 6.800 4.957 1.00 0.00 O ATOM 377 CB ALA A 23 63.112 5.209 5.335 1.00 0.00 C ATOM 0 H ALA A 23 61.745 7.167 5.365 1.00 0.00 H new ATOM 0 HA ALA A 23 64.205 6.625 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 23 63.844 4.413 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.288 5.069 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.730 5.179 4.314 1.00 0.00 H new ATOM 383 N TYR A 24 64.576 6.964 3.360 1.00 0.00 N ATOM 384 CA TYR A 24 65.623 7.199 2.341 1.00 0.00 C ATOM 385 C TYR A 24 66.147 8.613 2.517 1.00 0.00 C ATOM 386 O TYR A 24 67.331 8.860 2.533 1.00 0.00 O ATOM 387 CB TYR A 24 64.904 7.029 1.005 1.00 0.00 C ATOM 388 CG TYR A 24 65.917 6.992 -0.116 1.00 0.00 C ATOM 389 CD1 TYR A 24 67.144 6.336 0.059 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.629 7.619 -1.335 1.00 0.00 C ATOM 391 CE1 TYR A 24 68.079 6.309 -0.983 1.00 0.00 C ATOM 392 CE2 TYR A 24 66.564 7.590 -2.376 1.00 0.00 C ATOM 393 CZ TYR A 24 67.789 6.935 -2.200 1.00 0.00 C ATOM 394 OH TYR A 24 68.711 6.909 -3.226 1.00 0.00 O ATOM 0 H TYR A 24 63.619 6.961 3.007 1.00 0.00 H new ATOM 0 HA TYR A 24 66.475 6.523 2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.319 6.109 1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 24 64.205 7.851 0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.368 5.851 0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.685 8.125 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 24 69.024 5.805 -0.847 1.00 0.00 H new ATOM 0 HE2 TYR A 24 66.341 8.073 -3.316 1.00 0.00 H new ATOM 0 HH TYR A 24 69.543 6.501 -2.908 1.00 0.00 H new ATOM 404 N LYS A 25 65.256 9.538 2.685 1.00 0.00 N ATOM 405 CA LYS A 25 65.664 10.944 2.900 1.00 0.00 C ATOM 406 C LYS A 25 66.738 11.023 3.985 1.00 0.00 C ATOM 407 O LYS A 25 67.643 11.828 3.923 1.00 0.00 O ATOM 408 CB LYS A 25 64.387 11.605 3.391 1.00 0.00 C ATOM 409 CG LYS A 25 63.960 12.701 2.416 1.00 0.00 C ATOM 410 CD LYS A 25 62.547 12.404 1.913 1.00 0.00 C ATOM 411 CE LYS A 25 61.949 13.663 1.285 1.00 0.00 C ATOM 412 NZ LYS A 25 61.053 13.162 0.205 1.00 0.00 N ATOM 0 H LYS A 25 64.249 9.378 2.683 1.00 0.00 H new ATOM 0 HA LYS A 25 66.080 11.410 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.595 10.862 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.545 12.030 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 25 63.987 13.673 2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 25 64.655 12.749 1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 25 62.573 11.598 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.921 12.065 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 25 61.394 14.246 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 25 62.727 14.313 0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 61.463 13.396 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 60.952 12.130 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 60.119 13.610 0.293 1.00 0.00 H new ATOM 426 N ARG A 26 66.624 10.198 4.991 1.00 0.00 N ATOM 427 CA ARG A 26 67.616 10.228 6.103 1.00 0.00 C ATOM 428 C ARG A 26 68.951 9.609 5.674 1.00 0.00 C ATOM 429 O ARG A 26 70.003 10.188 5.856 1.00 0.00 O ATOM 430 CB ARG A 26 66.979 9.392 7.213 1.00 0.00 C ATOM 431 CG ARG A 26 65.755 10.124 7.765 1.00 0.00 C ATOM 432 CD ARG A 26 66.050 10.615 9.184 1.00 0.00 C ATOM 433 NE ARG A 26 65.825 9.430 10.056 1.00 0.00 N ATOM 434 CZ ARG A 26 65.177 9.562 11.179 1.00 0.00 C ATOM 435 NH1 ARG A 26 63.944 9.990 11.173 1.00 0.00 N ATOM 436 NH2 ARG A 26 65.761 9.269 12.308 1.00 0.00 N ATOM 0 H ARG A 26 65.884 9.503 5.090 1.00 0.00 H new ATOM 0 HA ARG A 26 67.838 11.248 6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.688 8.416 6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.701 9.216 8.010 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.502 10.967 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.892 9.458 7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 26 67.073 10.980 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 26 65.393 11.439 9.461 1.00 0.00 H new ATOM 0 HE ARG A 26 66.178 8.515 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 26 63.489 10.221 10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 26 63.436 10.094 12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 26 66.725 8.936 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 26 65.253 9.373 13.187 1.00 0.00 H new ATOM 450 N LEU A 27 68.916 8.431 5.114 1.00 0.00 N ATOM 451 CA LEU A 27 70.179 7.768 4.680 1.00 0.00 C ATOM 452 C LEU A 27 70.646 8.350 3.356 1.00 0.00 C ATOM 453 O LEU A 27 71.825 8.464 3.089 1.00 0.00 O ATOM 454 CB LEU A 27 69.817 6.289 4.522 1.00 0.00 C ATOM 455 CG LEU A 27 69.057 6.060 3.213 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.047 5.960 2.051 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.263 4.756 3.314 1.00 0.00 C ATOM 0 H LEU A 27 68.065 7.897 4.938 1.00 0.00 H new ATOM 0 HA LEU A 27 70.990 7.913 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 27 70.723 5.683 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.207 5.966 5.365 1.00 0.00 H new ATOM 0 HG LEU A 27 68.378 6.895 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.502 5.797 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.618 6.885 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.727 5.126 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.720 4.588 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 27 68.947 3.926 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.556 4.824 4.140 1.00 0.00 H new ATOM 469 N ALA A 28 69.718 8.709 2.524 1.00 0.00 N ATOM 470 CA ALA A 28 70.074 9.273 1.207 1.00 0.00 C ATOM 471 C ALA A 28 70.725 10.634 1.396 1.00 0.00 C ATOM 472 O ALA A 28 71.720 10.943 0.774 1.00 0.00 O ATOM 473 CB ALA A 28 68.744 9.380 0.472 1.00 0.00 C ATOM 0 H ALA A 28 68.717 8.634 2.705 1.00 0.00 H new ATOM 0 HA ALA A 28 70.788 8.666 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.910 9.792 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.296 8.390 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.073 10.034 1.028 1.00 0.00 H new ATOM 479 N MET A 29 70.203 11.440 2.276 1.00 0.00 N ATOM 480 CA MET A 29 70.847 12.757 2.509 1.00 0.00 C ATOM 481 C MET A 29 72.163 12.507 3.239 1.00 0.00 C ATOM 482 O MET A 29 73.084 13.298 3.188 1.00 0.00 O ATOM 483 CB MET A 29 69.873 13.558 3.377 1.00 0.00 C ATOM 484 CG MET A 29 69.799 12.940 4.773 1.00 0.00 C ATOM 485 SD MET A 29 68.462 13.726 5.708 1.00 0.00 S ATOM 486 CE MET A 29 69.483 14.910 6.619 1.00 0.00 C ATOM 0 H MET A 29 69.372 11.247 2.835 1.00 0.00 H new ATOM 0 HA MET A 29 71.061 13.303 1.590 1.00 0.00 H new ATOM 0 HB2 MET A 29 70.200 14.596 3.445 1.00 0.00 H new ATOM 0 HB3 MET A 29 68.884 13.565 2.919 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.624 11.867 4.699 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.748 13.073 5.292 1.00 0.00 H new ATOM 0 HE1 MET A 29 68.849 15.511 7.271 1.00 0.00 H new ATOM 0 HE2 MET A 29 70.215 14.372 7.221 1.00 0.00 H new ATOM 0 HE3 MET A 29 70.001 15.561 5.915 1.00 0.00 H new ATOM 496 N LYS A 30 72.257 11.383 3.902 1.00 0.00 N ATOM 497 CA LYS A 30 73.509 11.035 4.625 1.00 0.00 C ATOM 498 C LYS A 30 74.461 10.298 3.677 1.00 0.00 C ATOM 499 O LYS A 30 75.653 10.236 3.904 1.00 0.00 O ATOM 500 CB LYS A 30 73.064 10.113 5.760 1.00 0.00 C ATOM 501 CG LYS A 30 73.112 10.873 7.086 1.00 0.00 C ATOM 502 CD LYS A 30 71.937 10.441 7.964 1.00 0.00 C ATOM 503 CE LYS A 30 72.460 9.999 9.333 1.00 0.00 C ATOM 504 NZ LYS A 30 72.527 8.511 9.265 1.00 0.00 N ATOM 0 H LYS A 30 71.513 10.689 3.972 1.00 0.00 H new ATOM 0 HA LYS A 30 74.037 11.912 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.053 9.751 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.712 9.238 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 30 74.054 10.675 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 30 73.068 11.947 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.233 11.265 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.395 9.624 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 30 73.441 10.428 9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 30 71.796 10.327 10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 72.878 8.138 10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 71.578 8.129 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 73.172 8.227 8.500 1.00 0.00 H new ATOM 518 N TYR A 31 73.942 9.739 2.614 1.00 0.00 N ATOM 519 CA TYR A 31 74.822 9.007 1.654 1.00 0.00 C ATOM 520 C TYR A 31 74.887 9.737 0.319 1.00 0.00 C ATOM 521 O TYR A 31 75.454 9.258 -0.642 1.00 0.00 O ATOM 522 CB TYR A 31 74.183 7.636 1.485 1.00 0.00 C ATOM 523 CG TYR A 31 74.757 6.691 2.510 1.00 0.00 C ATOM 524 CD1 TYR A 31 76.138 6.666 2.740 1.00 0.00 C ATOM 525 CD2 TYR A 31 73.910 5.850 3.238 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.671 5.797 3.697 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.442 4.981 4.196 1.00 0.00 C ATOM 528 CZ TYR A 31 75.823 4.953 4.427 1.00 0.00 C ATOM 529 OH TYR A 31 76.348 4.097 5.372 1.00 0.00 O ATOM 0 H TYR A 31 72.952 9.757 2.370 1.00 0.00 H new ATOM 0 HA TYR A 31 75.846 8.934 2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 31 73.102 7.708 1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 31 74.368 7.257 0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 31 76.791 7.318 2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 31 72.845 5.871 3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 31 77.736 5.776 3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 31 73.787 4.331 4.758 1.00 0.00 H new ATOM 0 HH TYR A 31 75.624 3.584 5.787 1.00 0.00 H new ATOM 539 N HIS A 32 74.316 10.896 0.276 1.00 0.00 N ATOM 540 CA HIS A 32 74.324 11.729 -0.953 1.00 0.00 C ATOM 541 C HIS A 32 75.777 11.978 -1.405 1.00 0.00 C ATOM 542 O HIS A 32 76.602 11.107 -1.232 1.00 0.00 O ATOM 543 CB HIS A 32 73.576 12.957 -0.461 1.00 0.00 C ATOM 544 CG HIS A 32 74.397 13.629 0.608 1.00 0.00 C ATOM 545 ND1 HIS A 32 75.279 13.126 1.535 1.00 0.00 N flip ATOM 546 CD2 HIS A 32 74.357 14.993 0.824 1.00 0.00 C flip ATOM 547 CE1 HIS A 32 75.782 14.165 2.313 1.00 0.00 C flip ATOM 548 NE2 HIS A 32 75.193 15.269 1.843 1.00 0.00 N flip ATOM 0 H HIS A 32 73.827 11.318 1.066 1.00 0.00 H new ATOM 0 HA HIS A 32 73.862 11.305 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 32 73.396 13.645 -1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.601 12.672 -0.065 1.00 0.00 H new ATOM 0 HD2 HIS A 32 73.763 15.708 0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 32 76.494 14.094 3.122 1.00 0.00 H new ATOM 0 HE2 HIS A 32 75.357 16.206 2.211 1.00 0.00 H new ATOM 556 N PRO A 33 76.086 13.110 -1.998 1.00 0.00 N ATOM 557 CA PRO A 33 77.479 13.319 -2.460 1.00 0.00 C ATOM 558 C PRO A 33 78.443 13.426 -1.276 1.00 0.00 C ATOM 559 O PRO A 33 79.231 14.345 -1.172 1.00 0.00 O ATOM 560 CB PRO A 33 77.408 14.604 -3.275 1.00 0.00 C ATOM 561 CG PRO A 33 76.206 15.314 -2.763 1.00 0.00 C ATOM 562 CD PRO A 33 75.240 14.274 -2.289 1.00 0.00 C ATOM 0 HA PRO A 33 77.862 12.488 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.308 15.205 -3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 33 77.318 14.392 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.475 15.987 -1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.758 15.925 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.699 14.606 -1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.494 14.045 -3.050 1.00 0.00 H new ATOM 570 N ASP A 34 78.400 12.456 -0.401 1.00 0.00 N ATOM 571 CA ASP A 34 79.320 12.435 0.767 1.00 0.00 C ATOM 572 C ASP A 34 80.322 11.300 0.536 1.00 0.00 C ATOM 573 O ASP A 34 81.498 11.413 0.816 1.00 0.00 O ATOM 574 CB ASP A 34 78.409 12.170 1.987 1.00 0.00 C ATOM 575 CG ASP A 34 78.818 10.885 2.721 1.00 0.00 C ATOM 576 OD1 ASP A 34 79.976 10.779 3.091 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.965 10.031 2.899 1.00 0.00 O ATOM 0 H ASP A 34 77.755 11.667 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 34 79.887 13.354 0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.462 13.015 2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.373 12.090 1.659 1.00 0.00 H new ATOM 582 N ARG A 35 79.837 10.207 0.010 1.00 0.00 N ATOM 583 CA ARG A 35 80.715 9.044 -0.272 1.00 0.00 C ATOM 584 C ARG A 35 80.346 8.432 -1.630 1.00 0.00 C ATOM 585 O ARG A 35 81.174 7.848 -2.301 1.00 0.00 O ATOM 586 CB ARG A 35 80.427 8.054 0.857 1.00 0.00 C ATOM 587 CG ARG A 35 78.933 7.726 0.875 1.00 0.00 C ATOM 588 CD ARG A 35 78.623 6.715 -0.228 1.00 0.00 C ATOM 589 NE ARG A 35 78.037 5.540 0.476 1.00 0.00 N ATOM 590 CZ ARG A 35 78.753 4.464 0.659 1.00 0.00 C ATOM 591 NH1 ARG A 35 79.314 3.872 -0.359 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.906 3.979 1.860 1.00 0.00 N ATOM 0 H ARG A 35 78.857 10.073 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 35 81.770 9.316 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 35 81.009 7.143 0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.729 8.479 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.650 7.320 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 35 78.348 8.634 0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.924 7.127 -0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 35 79.525 6.438 -0.774 1.00 0.00 H new ATOM 0 HE ARG A 35 77.076 5.576 0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.193 4.250 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.873 3.031 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 35 78.466 4.440 2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.465 3.138 2.003 1.00 0.00 H new ATOM 606 N ASN A 36 79.103 8.552 -2.042 1.00 0.00 N ATOM 607 CA ASN A 36 78.696 7.966 -3.347 1.00 0.00 C ATOM 608 C ASN A 36 79.668 8.402 -4.435 1.00 0.00 C ATOM 609 O ASN A 36 79.867 7.717 -5.419 1.00 0.00 O ATOM 610 CB ASN A 36 77.308 8.536 -3.617 1.00 0.00 C ATOM 611 CG ASN A 36 76.273 7.411 -3.561 1.00 0.00 C ATOM 612 OD1 ASN A 36 76.224 6.571 -4.438 1.00 0.00 O ATOM 613 ND2 ASN A 36 75.437 7.357 -2.560 1.00 0.00 N ATOM 0 H ASN A 36 78.362 9.029 -1.529 1.00 0.00 H new ATOM 0 HA ASN A 36 78.694 6.876 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 36 77.068 9.302 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 36 77.285 9.017 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 36 74.744 6.610 -2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 36 75.477 8.061 -1.823 1.00 0.00 H new ATOM 620 N GLN A 37 80.281 9.537 -4.263 1.00 0.00 N ATOM 621 CA GLN A 37 81.243 10.011 -5.287 1.00 0.00 C ATOM 622 C GLN A 37 82.528 9.182 -5.210 1.00 0.00 C ATOM 623 O GLN A 37 83.441 9.362 -5.990 1.00 0.00 O ATOM 624 CB GLN A 37 81.517 11.475 -4.938 1.00 0.00 C ATOM 625 CG GLN A 37 80.193 12.190 -4.664 1.00 0.00 C ATOM 626 CD GLN A 37 79.990 13.310 -5.688 1.00 0.00 C ATOM 627 OE1 GLN A 37 80.456 14.416 -5.496 1.00 0.00 O ATOM 628 NE2 GLN A 37 79.310 13.070 -6.776 1.00 0.00 N ATOM 0 H GLN A 37 80.157 10.154 -3.460 1.00 0.00 H new ATOM 0 HA GLN A 37 80.856 9.911 -6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 37 82.164 11.536 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 37 82.043 11.963 -5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 37 79.367 11.480 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 37 80.193 12.602 -3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 37 78.918 12.142 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 37 79.170 13.810 -7.464 1.00 0.00 H new ATOM 637 N GLY A 38 82.602 8.269 -4.276 1.00 0.00 N ATOM 638 CA GLY A 38 83.827 7.429 -4.157 1.00 0.00 C ATOM 639 C GLY A 38 83.454 5.955 -4.327 1.00 0.00 C ATOM 640 O GLY A 38 84.288 5.079 -4.219 1.00 0.00 O ATOM 0 H GLY A 38 81.870 8.071 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 38 84.555 7.720 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 38 84.296 7.587 -3.186 1.00 0.00 H new ATOM 644 N ASP A 39 82.206 5.673 -4.594 1.00 0.00 N ATOM 645 CA ASP A 39 81.786 4.253 -4.767 1.00 0.00 C ATOM 646 C ASP A 39 80.393 4.185 -5.398 1.00 0.00 C ATOM 647 O ASP A 39 79.434 4.706 -4.865 1.00 0.00 O ATOM 648 CB ASP A 39 81.760 3.678 -3.351 1.00 0.00 C ATOM 649 CG ASP A 39 83.144 3.132 -2.994 1.00 0.00 C ATOM 650 OD1 ASP A 39 83.526 2.122 -3.563 1.00 0.00 O ATOM 651 OD2 ASP A 39 83.800 3.734 -2.160 1.00 0.00 O ATOM 0 H ASP A 39 81.462 6.363 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 39 82.458 3.699 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 39 81.468 4.450 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 39 81.016 2.884 -3.283 1.00 0.00 H new ATOM 656 N LYS A 40 80.271 3.533 -6.521 1.00 0.00 N ATOM 657 CA LYS A 40 78.937 3.422 -7.171 1.00 0.00 C ATOM 658 C LYS A 40 78.220 2.200 -6.624 1.00 0.00 C ATOM 659 O LYS A 40 77.016 2.091 -6.671 1.00 0.00 O ATOM 660 CB LYS A 40 79.213 3.283 -8.669 1.00 0.00 C ATOM 661 CG LYS A 40 77.905 3.434 -9.448 1.00 0.00 C ATOM 662 CD LYS A 40 78.207 3.536 -10.945 1.00 0.00 C ATOM 663 CE LYS A 40 77.292 2.580 -11.717 1.00 0.00 C ATOM 664 NZ LYS A 40 76.985 3.288 -12.990 1.00 0.00 N ATOM 0 H LYS A 40 81.036 3.074 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 40 78.301 4.286 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.928 4.041 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.662 2.312 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 40 77.255 2.581 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 40 77.371 4.323 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 40 78.055 4.559 -11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 40 79.252 3.289 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 40 77.785 1.626 -11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 40 76.383 2.364 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 76.361 2.696 -13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 76.510 4.189 -12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 77.869 3.474 -13.506 1.00 0.00 H new ATOM 678 N GLU A 41 78.964 1.297 -6.079 1.00 0.00 N ATOM 679 CA GLU A 41 78.364 0.083 -5.475 1.00 0.00 C ATOM 680 C GLU A 41 77.157 0.484 -4.631 1.00 0.00 C ATOM 681 O GLU A 41 76.229 -0.277 -4.442 1.00 0.00 O ATOM 682 CB GLU A 41 79.467 -0.436 -4.565 1.00 0.00 C ATOM 683 CG GLU A 41 79.980 0.738 -3.724 1.00 0.00 C ATOM 684 CD GLU A 41 80.877 0.215 -2.601 1.00 0.00 C ATOM 685 OE1 GLU A 41 81.173 -0.968 -2.609 1.00 0.00 O ATOM 686 OE2 GLU A 41 81.253 1.006 -1.752 1.00 0.00 O ATOM 0 H GLU A 41 79.981 1.345 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 41 78.029 -0.649 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.088 -1.229 -3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.277 -0.865 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.536 1.433 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.140 1.291 -3.304 1.00 0.00 H new ATOM 693 N ALA A 42 77.174 1.685 -4.115 1.00 0.00 N ATOM 694 CA ALA A 42 76.037 2.150 -3.269 1.00 0.00 C ATOM 695 C ALA A 42 74.854 2.524 -4.157 1.00 0.00 C ATOM 696 O ALA A 42 73.749 2.724 -3.693 1.00 0.00 O ATOM 697 CB ALA A 42 76.567 3.380 -2.528 1.00 0.00 C ATOM 0 H ALA A 42 77.925 2.363 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 42 75.690 1.383 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.785 3.781 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.428 3.097 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 42 76.866 4.139 -3.251 1.00 0.00 H new ATOM 703 N GLU A 43 75.082 2.615 -5.435 1.00 0.00 N ATOM 704 CA GLU A 43 73.972 2.973 -6.370 1.00 0.00 C ATOM 705 C GLU A 43 72.780 2.070 -6.143 1.00 0.00 C ATOM 706 O GLU A 43 71.657 2.515 -6.008 1.00 0.00 O ATOM 707 CB GLU A 43 74.496 2.697 -7.771 1.00 0.00 C ATOM 708 CG GLU A 43 73.581 3.377 -8.792 1.00 0.00 C ATOM 709 CD GLU A 43 74.416 4.240 -9.740 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.177 5.058 -9.250 1.00 0.00 O ATOM 711 OE2 GLU A 43 74.279 4.070 -10.941 1.00 0.00 O ATOM 0 H GLU A 43 75.988 2.458 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 43 73.668 4.009 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.515 3.071 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 43 74.531 1.623 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.031 2.626 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 43 72.843 3.993 -8.279 1.00 0.00 H new ATOM 718 N ALA A 44 73.008 0.793 -6.146 1.00 0.00 N ATOM 719 CA ALA A 44 71.879 -0.134 -5.978 1.00 0.00 C ATOM 720 C ALA A 44 71.168 0.147 -4.663 1.00 0.00 C ATOM 721 O ALA A 44 70.016 0.532 -4.648 1.00 0.00 O ATOM 722 CB ALA A 44 72.488 -1.537 -5.995 1.00 0.00 C ATOM 0 H ALA A 44 73.924 0.358 -6.257 1.00 0.00 H new ATOM 0 HA ALA A 44 71.134 -0.025 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.698 -2.278 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.997 -1.701 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.204 -1.633 -5.178 1.00 0.00 H new ATOM 728 N LYS A 45 71.841 -0.019 -3.558 1.00 0.00 N ATOM 729 CA LYS A 45 71.180 0.270 -2.260 1.00 0.00 C ATOM 730 C LYS A 45 70.450 1.606 -2.378 1.00 0.00 C ATOM 731 O LYS A 45 69.454 1.848 -1.733 1.00 0.00 O ATOM 732 CB LYS A 45 72.310 0.365 -1.236 1.00 0.00 C ATOM 733 CG LYS A 45 71.761 0.941 0.069 1.00 0.00 C ATOM 734 CD LYS A 45 72.805 0.780 1.178 1.00 0.00 C ATOM 735 CE LYS A 45 72.456 -0.437 2.040 1.00 0.00 C ATOM 736 NZ LYS A 45 72.712 -0.002 3.442 1.00 0.00 N ATOM 0 H LYS A 45 72.808 -0.338 -3.499 1.00 0.00 H new ATOM 0 HA LYS A 45 70.455 -0.491 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.740 -0.621 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.111 0.998 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.514 1.994 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.839 0.429 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 45 73.797 0.657 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 45 72.836 1.678 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.416 -0.733 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 45 73.070 -1.298 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 72.495 -0.784 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 73.711 0.267 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 72.108 0.814 3.668 1.00 0.00 H new ATOM 750 N PHE A 46 70.946 2.469 -3.225 1.00 0.00 N ATOM 751 CA PHE A 46 70.298 3.795 -3.422 1.00 0.00 C ATOM 752 C PHE A 46 68.934 3.630 -4.084 1.00 0.00 C ATOM 753 O PHE A 46 67.937 4.129 -3.600 1.00 0.00 O ATOM 754 CB PHE A 46 71.242 4.560 -4.349 1.00 0.00 C ATOM 755 CG PHE A 46 71.698 5.827 -3.678 1.00 0.00 C ATOM 756 CD1 PHE A 46 71.949 5.840 -2.302 1.00 0.00 C ATOM 757 CD2 PHE A 46 71.877 6.989 -4.435 1.00 0.00 C ATOM 758 CE1 PHE A 46 72.381 7.018 -1.681 1.00 0.00 C ATOM 759 CE2 PHE A 46 72.308 8.168 -3.817 1.00 0.00 C ATOM 760 CZ PHE A 46 72.559 8.182 -2.440 1.00 0.00 C ATOM 0 H PHE A 46 71.779 2.309 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 46 70.133 4.313 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 46 72.103 3.940 -4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 46 70.736 4.795 -5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 46 71.810 4.942 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 46 71.682 6.976 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 46 72.577 7.029 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 46 72.447 9.066 -4.401 1.00 0.00 H new ATOM 0 HZ PHE A 46 72.891 9.092 -1.962 1.00 0.00 H new ATOM 770 N LYS A 47 68.870 2.933 -5.184 1.00 0.00 N ATOM 771 CA LYS A 47 67.553 2.755 -5.848 1.00 0.00 C ATOM 772 C LYS A 47 66.861 1.523 -5.258 1.00 0.00 C ATOM 773 O LYS A 47 65.669 1.335 -5.398 1.00 0.00 O ATOM 774 CB LYS A 47 67.873 2.608 -7.344 1.00 0.00 C ATOM 775 CG LYS A 47 67.769 1.149 -7.785 1.00 0.00 C ATOM 776 CD LYS A 47 68.871 0.332 -7.118 1.00 0.00 C ATOM 777 CE LYS A 47 69.460 -0.642 -8.141 1.00 0.00 C ATOM 778 NZ LYS A 47 68.279 -1.302 -8.764 1.00 0.00 N ATOM 0 H LYS A 47 69.662 2.485 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 47 66.867 3.588 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.185 3.218 -7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 47 68.878 2.981 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 47 66.792 0.747 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.857 1.079 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.650 0.992 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.470 -0.215 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.059 -0.118 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.113 -1.371 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.510 -2.292 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 67.476 -1.271 -8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.026 -0.804 -9.641 1.00 0.00 H new ATOM 792 N GLU A 48 67.604 0.707 -4.564 1.00 0.00 N ATOM 793 CA GLU A 48 66.997 -0.487 -3.922 1.00 0.00 C ATOM 794 C GLU A 48 66.027 0.029 -2.885 1.00 0.00 C ATOM 795 O GLU A 48 64.970 -0.518 -2.645 1.00 0.00 O ATOM 796 CB GLU A 48 68.160 -1.204 -3.244 1.00 0.00 C ATOM 797 CG GLU A 48 68.863 -2.110 -4.250 1.00 0.00 C ATOM 798 CD GLU A 48 67.940 -3.274 -4.620 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.228 -3.740 -3.746 1.00 0.00 O ATOM 800 OE2 GLU A 48 67.960 -3.678 -5.771 1.00 0.00 O ATOM 0 H GLU A 48 68.607 0.817 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 48 66.476 -1.152 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.864 -0.476 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.796 -1.793 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.128 -1.544 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.793 -2.490 -3.826 1.00 0.00 H new ATOM 807 N ILE A 49 66.404 1.119 -2.298 1.00 0.00 N ATOM 808 CA ILE A 49 65.547 1.772 -1.281 1.00 0.00 C ATOM 809 C ILE A 49 64.391 2.449 -1.992 1.00 0.00 C ATOM 810 O ILE A 49 63.232 2.175 -1.748 1.00 0.00 O ATOM 811 CB ILE A 49 66.456 2.818 -0.648 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.343 2.152 0.394 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.616 3.911 0.009 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.690 2.874 0.455 1.00 0.00 C ATOM 0 H ILE A 49 67.287 1.596 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 49 65.136 1.082 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 49 67.079 3.269 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 49 66.859 2.180 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.492 1.102 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.274 4.654 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.989 4.389 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.985 3.470 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.325 2.397 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 49 69.175 2.823 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.531 3.918 0.727 1.00 0.00 H new ATOM 826 N LYS A 50 64.719 3.331 -2.884 1.00 0.00 N ATOM 827 CA LYS A 50 63.661 4.045 -3.648 1.00 0.00 C ATOM 828 C LYS A 50 62.745 3.011 -4.306 1.00 0.00 C ATOM 829 O LYS A 50 61.584 3.261 -4.567 1.00 0.00 O ATOM 830 CB LYS A 50 64.414 4.853 -4.707 1.00 0.00 C ATOM 831 CG LYS A 50 63.921 6.301 -4.693 1.00 0.00 C ATOM 832 CD LYS A 50 63.754 6.797 -6.131 1.00 0.00 C ATOM 833 CE LYS A 50 64.997 7.589 -6.548 1.00 0.00 C ATOM 834 NZ LYS A 50 64.763 7.949 -7.975 1.00 0.00 N ATOM 0 H LYS A 50 65.676 3.592 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 50 63.041 4.689 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.486 4.821 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.258 4.414 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.972 6.368 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 50 64.631 6.933 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.606 5.952 -6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 50 62.867 7.425 -6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 50 65.123 8.479 -5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 50 65.902 6.992 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 65.573 8.494 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 64.653 7.082 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 63.899 8.523 -8.051 1.00 0.00 H new ATOM 848 N GLU A 51 63.269 1.841 -4.565 1.00 0.00 N ATOM 849 CA GLU A 51 62.453 0.765 -5.196 1.00 0.00 C ATOM 850 C GLU A 51 61.537 0.132 -4.153 1.00 0.00 C ATOM 851 O GLU A 51 60.438 -0.294 -4.448 1.00 0.00 O ATOM 852 CB GLU A 51 63.472 -0.249 -5.693 1.00 0.00 C ATOM 853 CG GLU A 51 62.753 -1.375 -6.439 1.00 0.00 C ATOM 854 CD GLU A 51 63.320 -1.496 -7.855 1.00 0.00 C ATOM 855 OE1 GLU A 51 64.526 -1.385 -8.001 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.538 -1.699 -8.769 1.00 0.00 O ATOM 0 H GLU A 51 64.236 1.584 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 51 61.817 1.136 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.191 0.236 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.034 -0.657 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.878 -2.317 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.683 -1.172 -6.481 1.00 0.00 H new ATOM 863 N ALA A 52 61.975 0.095 -2.922 1.00 0.00 N ATOM 864 CA ALA A 52 61.126 -0.478 -1.839 1.00 0.00 C ATOM 865 C ALA A 52 59.781 0.243 -1.819 1.00 0.00 C ATOM 866 O ALA A 52 58.834 -0.194 -1.195 1.00 0.00 O ATOM 867 CB ALA A 52 61.900 -0.203 -0.556 1.00 0.00 C ATOM 0 H ALA A 52 62.887 0.438 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 52 60.925 -1.541 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 52 61.343 -0.594 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.874 -0.690 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 52 62.037 0.872 -0.437 1.00 0.00 H new ATOM 873 N TYR A 53 59.691 1.346 -2.510 1.00 0.00 N ATOM 874 CA TYR A 53 58.424 2.104 -2.554 1.00 0.00 C ATOM 875 C TYR A 53 57.422 1.343 -3.418 1.00 0.00 C ATOM 876 O TYR A 53 56.256 1.241 -3.104 1.00 0.00 O ATOM 877 CB TYR A 53 58.781 3.432 -3.230 1.00 0.00 C ATOM 878 CG TYR A 53 59.672 4.277 -2.345 1.00 0.00 C ATOM 879 CD1 TYR A 53 60.923 3.801 -1.914 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.250 5.553 -1.967 1.00 0.00 C ATOM 881 CE1 TYR A 53 61.737 4.601 -1.112 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.066 6.352 -1.164 1.00 0.00 C ATOM 883 CZ TYR A 53 61.311 5.877 -0.735 1.00 0.00 C ATOM 884 OH TYR A 53 62.116 6.667 0.059 1.00 0.00 O ATOM 0 H TYR A 53 60.454 1.753 -3.050 1.00 0.00 H new ATOM 0 HA TYR A 53 57.985 2.251 -1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 53 59.285 3.237 -4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.869 3.981 -3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 53 61.254 2.815 -2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 53 58.290 5.923 -2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 53 62.698 4.234 -0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 53 59.736 7.338 -0.873 1.00 0.00 H new ATOM 0 HH TYR A 53 61.854 6.562 0.998 1.00 0.00 H new ATOM 894 N GLU A 54 57.885 0.786 -4.500 1.00 0.00 N ATOM 895 CA GLU A 54 56.968 0.017 -5.386 1.00 0.00 C ATOM 896 C GLU A 54 56.325 -1.078 -4.568 1.00 0.00 C ATOM 897 O GLU A 54 55.312 -1.636 -4.933 1.00 0.00 O ATOM 898 CB GLU A 54 57.842 -0.601 -6.483 1.00 0.00 C ATOM 899 CG GLU A 54 58.895 0.404 -6.931 1.00 0.00 C ATOM 900 CD GLU A 54 59.055 0.345 -8.452 1.00 0.00 C ATOM 901 OE1 GLU A 54 58.198 0.874 -9.139 1.00 0.00 O ATOM 902 OE2 GLU A 54 60.033 -0.231 -8.904 1.00 0.00 O ATOM 0 H GLU A 54 58.856 0.829 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 54 56.188 0.644 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.324 -1.505 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.223 -0.896 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.605 1.409 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.847 0.187 -6.447 1.00 0.00 H new ATOM 909 N VAL A 55 56.923 -1.398 -3.459 1.00 0.00 N ATOM 910 CA VAL A 55 56.362 -2.467 -2.619 1.00 0.00 C ATOM 911 C VAL A 55 55.629 -1.871 -1.410 1.00 0.00 C ATOM 912 O VAL A 55 54.560 -2.297 -1.033 1.00 0.00 O ATOM 913 CB VAL A 55 57.584 -3.285 -2.163 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.678 -3.310 -0.638 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.453 -4.715 -2.655 1.00 0.00 C ATOM 0 H VAL A 55 57.774 -0.962 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 55 55.634 -3.077 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 55 58.478 -2.818 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.548 -3.893 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.776 -2.291 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.777 -3.763 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.319 -5.292 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.547 -5.160 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.399 -4.722 -3.744 1.00 0.00 H new ATOM 925 N LEU A 56 56.240 -0.945 -0.740 1.00 0.00 N ATOM 926 CA LEU A 56 55.599 -0.409 0.485 1.00 0.00 C ATOM 927 C LEU A 56 54.689 0.816 0.217 1.00 0.00 C ATOM 928 O LEU A 56 53.811 1.101 1.006 1.00 0.00 O ATOM 929 CB LEU A 56 56.789 -0.149 1.427 1.00 0.00 C ATOM 930 CG LEU A 56 56.872 1.294 1.893 1.00 0.00 C ATOM 931 CD1 LEU A 56 57.016 2.218 0.692 1.00 0.00 C ATOM 932 CD2 LEU A 56 55.617 1.651 2.692 1.00 0.00 C ATOM 0 H LEU A 56 57.144 -0.539 -0.982 1.00 0.00 H new ATOM 0 HA LEU A 56 54.885 -1.100 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.707 -0.802 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 56 57.715 -0.414 0.916 1.00 0.00 H new ATOM 0 HG LEU A 56 57.745 1.417 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.075 3.252 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.924 1.964 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.153 2.101 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 56 55.680 2.687 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 56 54.736 1.525 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.539 0.995 3.559 1.00 0.00 H new ATOM 944 N THR A 57 54.845 1.533 -0.873 1.00 0.00 N ATOM 945 CA THR A 57 53.926 2.702 -1.097 1.00 0.00 C ATOM 946 C THR A 57 52.661 2.246 -1.835 1.00 0.00 C ATOM 947 O THR A 57 52.091 2.979 -2.618 1.00 0.00 O ATOM 948 CB THR A 57 54.687 3.728 -1.953 1.00 0.00 C ATOM 949 OG1 THR A 57 55.050 3.144 -3.194 1.00 0.00 O ATOM 950 CG2 THR A 57 55.940 4.213 -1.220 1.00 0.00 C ATOM 0 H THR A 57 55.544 1.369 -1.597 1.00 0.00 H new ATOM 0 HA THR A 57 53.625 3.138 -0.145 1.00 0.00 H new ATOM 0 HB THR A 57 54.036 4.584 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.120 2.172 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.466 4.938 -1.840 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.652 4.681 -0.279 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.595 3.365 -1.018 1.00 0.00 H new ATOM 958 N ASP A 58 52.212 1.046 -1.582 1.00 0.00 N ATOM 959 CA ASP A 58 50.979 0.549 -2.255 1.00 0.00 C ATOM 960 C ASP A 58 50.272 -0.450 -1.364 1.00 0.00 C ATOM 961 O ASP A 58 50.832 -1.439 -0.935 1.00 0.00 O ATOM 962 CB ASP A 58 51.448 -0.102 -3.557 1.00 0.00 C ATOM 963 CG ASP A 58 50.791 0.603 -4.745 1.00 0.00 C ATOM 964 OD1 ASP A 58 50.320 1.714 -4.562 1.00 0.00 O ATOM 965 OD2 ASP A 58 50.768 0.021 -5.816 1.00 0.00 O ATOM 0 H ASP A 58 52.648 0.387 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 58 50.268 1.350 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.533 -0.039 -3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.189 -1.161 -3.560 1.00 0.00 H new ATOM 970 N SER A 59 49.042 -0.177 -1.066 1.00 0.00 N ATOM 971 CA SER A 59 48.283 -1.080 -0.180 1.00 0.00 C ATOM 972 C SER A 59 48.399 -2.527 -0.663 1.00 0.00 C ATOM 973 O SER A 59 48.609 -3.436 0.115 1.00 0.00 O ATOM 974 CB SER A 59 46.835 -0.599 -0.252 1.00 0.00 C ATOM 975 OG SER A 59 46.190 -0.878 0.984 1.00 0.00 O ATOM 0 H SER A 59 48.528 0.638 -1.401 1.00 0.00 H new ATOM 0 HA SER A 59 48.662 -1.060 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.804 0.471 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.313 -1.097 -1.069 1.00 0.00 H new ATOM 0 HG SER A 59 45.260 -0.570 0.945 1.00 0.00 H new ATOM 981 N GLN A 60 48.269 -2.747 -1.940 1.00 0.00 N ATOM 982 CA GLN A 60 48.377 -4.134 -2.473 1.00 0.00 C ATOM 983 C GLN A 60 49.781 -4.688 -2.205 1.00 0.00 C ATOM 984 O GLN A 60 49.949 -5.807 -1.764 1.00 0.00 O ATOM 985 CB GLN A 60 48.125 -3.988 -3.974 1.00 0.00 C ATOM 986 CG GLN A 60 48.054 -5.369 -4.623 1.00 0.00 C ATOM 987 CD GLN A 60 48.345 -5.243 -6.119 1.00 0.00 C ATOM 988 OE1 GLN A 60 47.448 -5.030 -6.909 1.00 0.00 O ATOM 989 NE2 GLN A 60 49.573 -5.363 -6.544 1.00 0.00 N ATOM 0 H GLN A 60 48.092 -2.026 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 60 47.673 -4.824 -2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 60 47.194 -3.447 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 60 48.922 -3.402 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 60 48.775 -6.040 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 60 47.067 -5.805 -4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 60 50.327 -5.542 -5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 60 49.779 -5.278 -7.539 1.00 0.00 H new ATOM 998 N LYS A 61 50.788 -3.902 -2.465 1.00 0.00 N ATOM 999 CA LYS A 61 52.189 -4.354 -2.226 1.00 0.00 C ATOM 1000 C LYS A 61 52.433 -4.581 -0.737 1.00 0.00 C ATOM 1001 O LYS A 61 52.893 -5.631 -0.332 1.00 0.00 O ATOM 1002 CB LYS A 61 53.043 -3.217 -2.764 1.00 0.00 C ATOM 1003 CG LYS A 61 52.720 -2.985 -4.241 1.00 0.00 C ATOM 1004 CD LYS A 61 53.029 -4.254 -5.041 1.00 0.00 C ATOM 1005 CE LYS A 61 54.511 -4.609 -4.891 1.00 0.00 C ATOM 1006 NZ LYS A 61 54.807 -5.532 -6.023 1.00 0.00 N ATOM 0 H LYS A 61 50.700 -2.956 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 61 52.418 -5.303 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 61 52.856 -2.307 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.100 -3.456 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 61 51.670 -2.717 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 61 53.306 -2.150 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 61 52.410 -5.078 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.786 -4.101 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 61 55.136 -3.717 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 61 54.706 -5.087 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 55.806 -5.818 -5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 54.203 -6.375 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 54.619 -5.048 -6.924 1.00 0.00 H new ATOM 1020 N ARG A 62 52.126 -3.627 0.089 1.00 0.00 N ATOM 1021 CA ARG A 62 52.344 -3.834 1.544 1.00 0.00 C ATOM 1022 C ARG A 62 51.391 -4.915 2.045 1.00 0.00 C ATOM 1023 O ARG A 62 51.628 -5.557 3.049 1.00 0.00 O ATOM 1024 CB ARG A 62 52.023 -2.491 2.195 1.00 0.00 C ATOM 1025 CG ARG A 62 50.560 -2.143 1.929 1.00 0.00 C ATOM 1026 CD ARG A 62 49.910 -1.642 3.222 1.00 0.00 C ATOM 1027 NE ARG A 62 49.900 -0.158 3.099 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.779 0.587 4.165 1.00 0.00 C ATOM 1029 NH1 ARG A 62 49.572 0.038 5.331 1.00 0.00 N ATOM 1030 NH2 ARG A 62 49.859 1.885 4.062 1.00 0.00 N ATOM 0 H ARG A 62 51.738 -2.721 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 62 53.359 -4.155 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 62 52.209 -2.539 3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.673 -1.714 1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.492 -1.378 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 62 50.028 -3.019 1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 62 48.900 -2.035 3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 62 50.475 -1.962 4.097 1.00 0.00 H new ATOM 0 HE ARG A 62 49.988 0.277 2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 62 49.504 -0.976 5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 62 49.478 0.623 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 62 50.016 2.316 3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 62 49.765 2.469 4.893 1.00 0.00 H new ATOM 1044 N ALA A 63 50.323 -5.133 1.333 1.00 0.00 N ATOM 1045 CA ALA A 63 49.360 -6.187 1.738 1.00 0.00 C ATOM 1046 C ALA A 63 50.002 -7.526 1.426 1.00 0.00 C ATOM 1047 O ALA A 63 49.783 -8.519 2.090 1.00 0.00 O ATOM 1048 CB ALA A 63 48.117 -5.956 0.880 1.00 0.00 C ATOM 0 H ALA A 63 50.076 -4.623 0.485 1.00 0.00 H new ATOM 0 HA ALA A 63 49.097 -6.166 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.361 -6.701 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.721 -4.959 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.381 -6.042 -0.174 1.00 0.00 H new ATOM 1054 N ALA A 64 50.832 -7.535 0.426 1.00 0.00 N ATOM 1055 CA ALA A 64 51.550 -8.774 0.057 1.00 0.00 C ATOM 1056 C ALA A 64 52.544 -9.094 1.167 1.00 0.00 C ATOM 1057 O ALA A 64 52.659 -10.216 1.618 1.00 0.00 O ATOM 1058 CB ALA A 64 52.276 -8.415 -1.237 1.00 0.00 C ATOM 0 H ALA A 64 51.044 -6.725 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 64 50.904 -9.642 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 64 52.840 -9.279 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 64 51.548 -8.124 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.959 -7.586 -1.053 1.00 0.00 H new ATOM 1064 N TYR A 65 53.261 -8.098 1.615 1.00 0.00 N ATOM 1065 CA TYR A 65 54.250 -8.311 2.702 1.00 0.00 C ATOM 1066 C TYR A 65 53.560 -8.759 3.996 1.00 0.00 C ATOM 1067 O TYR A 65 54.003 -9.675 4.658 1.00 0.00 O ATOM 1068 CB TYR A 65 54.902 -6.948 2.899 1.00 0.00 C ATOM 1069 CG TYR A 65 56.366 -7.159 3.183 1.00 0.00 C ATOM 1070 CD1 TYR A 65 57.156 -7.877 2.278 1.00 0.00 C ATOM 1071 CD2 TYR A 65 56.931 -6.661 4.363 1.00 0.00 C ATOM 1072 CE1 TYR A 65 58.508 -8.095 2.552 1.00 0.00 C ATOM 1073 CE2 TYR A 65 58.288 -6.875 4.633 1.00 0.00 C ATOM 1074 CZ TYR A 65 59.074 -7.594 3.727 1.00 0.00 C ATOM 1075 OH TYR A 65 60.405 -7.814 3.995 1.00 0.00 O ATOM 0 H TYR A 65 53.201 -7.140 1.269 1.00 0.00 H new ATOM 0 HA TYR A 65 54.969 -9.090 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.773 -6.333 2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 65 54.428 -6.416 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 65 56.720 -8.262 1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 65 56.320 -6.112 5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 65 59.117 -8.652 1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.727 -6.485 5.540 1.00 0.00 H new ATOM 0 HH TYR A 65 60.644 -8.728 3.734 1.00 0.00 H new ATOM 1085 N ASP A 66 52.492 -8.109 4.372 1.00 0.00 N ATOM 1086 CA ASP A 66 51.794 -8.495 5.634 1.00 0.00 C ATOM 1087 C ASP A 66 51.627 -10.020 5.700 1.00 0.00 C ATOM 1088 O ASP A 66 51.498 -10.596 6.763 1.00 0.00 O ATOM 1089 CB ASP A 66 50.438 -7.761 5.582 1.00 0.00 C ATOM 1090 CG ASP A 66 49.302 -8.715 5.195 1.00 0.00 C ATOM 1091 OD1 ASP A 66 49.045 -9.638 5.951 1.00 0.00 O ATOM 1092 OD2 ASP A 66 48.707 -8.505 4.151 1.00 0.00 O ATOM 0 H ASP A 66 52.073 -7.330 3.863 1.00 0.00 H new ATOM 0 HA ASP A 66 52.351 -8.218 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 66 50.226 -7.315 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 66 50.491 -6.945 4.862 1.00 0.00 H new ATOM 1097 N GLN A 67 51.630 -10.675 4.571 1.00 0.00 N ATOM 1098 CA GLN A 67 51.475 -12.158 4.565 1.00 0.00 C ATOM 1099 C GLN A 67 52.832 -12.829 4.327 1.00 0.00 C ATOM 1100 O GLN A 67 52.933 -14.037 4.251 1.00 0.00 O ATOM 1101 CB GLN A 67 50.524 -12.455 3.404 1.00 0.00 C ATOM 1102 CG GLN A 67 49.209 -11.700 3.611 1.00 0.00 C ATOM 1103 CD GLN A 67 48.160 -12.648 4.198 1.00 0.00 C ATOM 1104 OE1 GLN A 67 47.874 -13.684 3.630 1.00 0.00 O ATOM 1105 NE2 GLN A 67 47.567 -12.335 5.318 1.00 0.00 N ATOM 0 H GLN A 67 51.733 -10.247 3.651 1.00 0.00 H new ATOM 0 HA GLN A 67 51.092 -12.536 5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 67 50.981 -12.157 2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 67 50.334 -13.526 3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 67 49.365 -10.854 4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 67 48.857 -11.295 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 67 47.806 -11.466 5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 67 46.865 -12.959 5.715 1.00 0.00 H new ATOM 1114 N TYR A 68 53.874 -12.051 4.204 1.00 0.00 N ATOM 1115 CA TYR A 68 55.222 -12.640 3.966 1.00 0.00 C ATOM 1116 C TYR A 68 55.180 -13.566 2.746 1.00 0.00 C ATOM 1117 O TYR A 68 56.031 -14.415 2.569 1.00 0.00 O ATOM 1118 CB TYR A 68 55.538 -13.431 5.236 1.00 0.00 C ATOM 1119 CG TYR A 68 56.223 -12.528 6.235 1.00 0.00 C ATOM 1120 CD1 TYR A 68 55.461 -11.771 7.131 1.00 0.00 C ATOM 1121 CD2 TYR A 68 57.621 -12.449 6.264 1.00 0.00 C ATOM 1122 CE1 TYR A 68 56.095 -10.935 8.058 1.00 0.00 C ATOM 1123 CE2 TYR A 68 58.255 -11.613 7.191 1.00 0.00 C ATOM 1124 CZ TYR A 68 57.493 -10.856 8.088 1.00 0.00 C ATOM 1125 OH TYR A 68 58.118 -10.032 9.001 1.00 0.00 O ATOM 0 H TYR A 68 53.849 -11.033 4.258 1.00 0.00 H new ATOM 0 HA TYR A 68 55.979 -11.882 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 68 54.620 -13.834 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 68 56.179 -14.280 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 68 54.383 -11.831 7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 68 58.210 -13.033 5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 68 55.506 -10.351 8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 68 59.333 -11.552 7.214 1.00 0.00 H new ATOM 0 HH TYR A 68 59.089 -10.096 8.888 1.00 0.00 H new ATOM 1135 N GLY A 69 54.192 -13.407 1.905 1.00 0.00 N ATOM 1136 CA GLY A 69 54.093 -14.276 0.697 1.00 0.00 C ATOM 1137 C GLY A 69 53.033 -15.353 0.933 1.00 0.00 C ATOM 1138 O GLY A 69 52.806 -15.777 2.049 1.00 0.00 O ATOM 0 H GLY A 69 53.450 -12.714 2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 69 53.831 -13.677 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 69 55.058 -14.739 0.488 1.00 0.00 H new ATOM 1142 N HIS A 70 52.380 -15.800 -0.106 1.00 0.00 N ATOM 1143 CA HIS A 70 51.337 -16.849 0.070 1.00 0.00 C ATOM 1144 C HIS A 70 51.919 -18.052 0.818 1.00 0.00 C ATOM 1145 O HIS A 70 51.199 -18.865 1.363 1.00 0.00 O ATOM 1146 CB HIS A 70 50.914 -17.243 -1.346 1.00 0.00 C ATOM 1147 CG HIS A 70 52.083 -17.848 -2.075 1.00 0.00 C ATOM 1148 ND1 HIS A 70 52.265 -19.218 -2.166 1.00 0.00 N ATOM 1149 CD2 HIS A 70 53.135 -17.284 -2.755 1.00 0.00 C ATOM 1150 CE1 HIS A 70 53.387 -19.432 -2.878 1.00 0.00 C ATOM 1151 NE2 HIS A 70 53.955 -18.287 -3.262 1.00 0.00 N ATOM 0 H HIS A 70 52.524 -15.485 -1.065 1.00 0.00 H new ATOM 0 HA HIS A 70 50.490 -16.492 0.656 1.00 0.00 H new ATOM 0 HB2 HIS A 70 50.090 -17.956 -1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 70 50.551 -16.367 -1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 70 53.300 -16.224 -2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 70 53.780 -20.411 -3.110 1.00 0.00 H new ATOM 0 HE2 HIS A 70 54.808 -18.172 -3.810 1.00 0.00 H new ATOM 1159 N ALA A 71 53.220 -18.168 0.855 1.00 0.00 N ATOM 1160 CA ALA A 71 53.845 -19.311 1.577 1.00 0.00 C ATOM 1161 C ALA A 71 53.202 -19.462 2.956 1.00 0.00 C ATOM 1162 O ALA A 71 52.892 -20.553 3.393 1.00 0.00 O ATOM 1163 CB ALA A 71 55.322 -18.939 1.712 1.00 0.00 C ATOM 0 H ALA A 71 53.875 -17.521 0.417 1.00 0.00 H new ATOM 0 HA ALA A 71 53.714 -20.258 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 71 55.851 -19.735 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 71 55.756 -18.806 0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 71 55.413 -18.011 2.276 1.00 0.00 H new ATOM 1169 N ALA A 72 52.989 -18.370 3.639 1.00 0.00 N ATOM 1170 CA ALA A 72 52.355 -18.444 4.985 1.00 0.00 C ATOM 1171 C ALA A 72 51.037 -19.214 4.890 1.00 0.00 C ATOM 1172 O ALA A 72 50.517 -19.701 5.874 1.00 0.00 O ATOM 1173 CB ALA A 72 52.105 -16.989 5.385 1.00 0.00 C ATOM 0 H ALA A 72 53.227 -17.430 3.322 1.00 0.00 H new ATOM 0 HA ALA A 72 52.977 -18.960 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 72 51.638 -16.957 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 72 53.053 -16.452 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 72 51.446 -16.519 4.655 1.00 0.00 H new ATOM 1179 N PHE A 73 50.496 -19.329 3.707 1.00 0.00 N ATOM 1180 CA PHE A 73 49.214 -20.073 3.542 1.00 0.00 C ATOM 1181 C PHE A 73 49.194 -20.779 2.189 1.00 0.00 C ATOM 1182 O PHE A 73 48.393 -20.477 1.326 1.00 0.00 O ATOM 1183 CB PHE A 73 48.120 -19.008 3.613 1.00 0.00 C ATOM 1184 CG PHE A 73 47.587 -18.927 5.023 1.00 0.00 C ATOM 1185 CD1 PHE A 73 47.142 -20.085 5.670 1.00 0.00 C ATOM 1186 CD2 PHE A 73 47.538 -17.693 5.682 1.00 0.00 C ATOM 1187 CE1 PHE A 73 46.648 -20.011 6.977 1.00 0.00 C ATOM 1188 CE2 PHE A 73 47.043 -17.618 6.990 1.00 0.00 C ATOM 1189 CZ PHE A 73 46.598 -18.777 7.638 1.00 0.00 C ATOM 0 H PHE A 73 50.886 -18.940 2.848 1.00 0.00 H new ATOM 0 HA PHE A 73 49.077 -20.840 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 73 48.519 -18.041 3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 73 47.314 -19.253 2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 73 47.180 -21.036 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 73 47.882 -16.799 5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 73 46.305 -20.905 7.476 1.00 0.00 H new ATOM 0 HE2 PHE A 73 47.004 -16.666 7.499 1.00 0.00 H new ATOM 0 HZ PHE A 73 46.217 -18.719 8.647 1.00 0.00 H new ATOM 1199 N GLU A 74 50.073 -21.718 2.002 1.00 0.00 N ATOM 1200 CA GLU A 74 50.122 -22.457 0.707 1.00 0.00 C ATOM 1201 C GLU A 74 48.720 -22.930 0.312 1.00 0.00 C ATOM 1202 O GLU A 74 48.017 -23.541 1.093 1.00 0.00 O ATOM 1203 CB GLU A 74 51.037 -23.655 0.969 1.00 0.00 C ATOM 1204 CG GLU A 74 52.311 -23.182 1.674 1.00 0.00 C ATOM 1205 CD GLU A 74 53.537 -23.675 0.905 1.00 0.00 C ATOM 1206 OE1 GLU A 74 53.559 -24.841 0.550 1.00 0.00 O ATOM 1207 OE2 GLU A 74 54.434 -22.877 0.682 1.00 0.00 O ATOM 0 H GLU A 74 50.765 -22.010 2.692 1.00 0.00 H new ATOM 0 HA GLU A 74 50.488 -21.834 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 74 50.521 -24.392 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 74 51.290 -24.145 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.322 -22.094 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 74 52.334 -23.560 2.696 1.00 0.00 H new ATOM 1214 N GLN A 75 48.309 -22.652 -0.894 1.00 0.00 N ATOM 1215 CA GLN A 75 46.953 -23.088 -1.340 1.00 0.00 C ATOM 1216 C GLN A 75 45.885 -22.596 -0.358 1.00 0.00 C ATOM 1217 O GLN A 75 45.708 -23.149 0.708 1.00 0.00 O ATOM 1218 CB GLN A 75 47.012 -24.617 -1.342 1.00 0.00 C ATOM 1219 CG GLN A 75 47.278 -25.113 -2.763 1.00 0.00 C ATOM 1220 CD GLN A 75 48.752 -25.498 -2.901 1.00 0.00 C ATOM 1221 OE1 GLN A 75 49.079 -26.658 -3.049 1.00 0.00 O ATOM 1222 NE2 GLN A 75 49.662 -24.563 -2.854 1.00 0.00 N ATOM 0 H GLN A 75 48.852 -22.142 -1.591 1.00 0.00 H new ATOM 0 HA GLN A 75 46.692 -22.685 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 75 47.799 -24.962 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 75 46.073 -25.029 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 75 46.644 -25.972 -2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 75 47.025 -24.336 -3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 75 49.386 -23.589 -2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 75 50.649 -24.807 -2.942 1.00 0.00 H new ATOM 1231 N GLY A 76 45.171 -21.563 -0.712 1.00 0.00 N ATOM 1232 CA GLY A 76 44.113 -21.043 0.198 1.00 0.00 C ATOM 1233 C GLY A 76 42.846 -21.886 0.041 1.00 0.00 C ATOM 1234 O GLY A 76 41.768 -21.371 -0.177 1.00 0.00 O ATOM 0 H GLY A 76 45.275 -21.057 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 76 44.459 -21.076 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 76 43.899 -20.000 -0.034 1.00 0.00 H new ATOM 1238 N GLY A 77 42.968 -23.181 0.149 1.00 0.00 N ATOM 1239 CA GLY A 77 41.772 -24.059 0.005 1.00 0.00 C ATOM 1240 C GLY A 77 41.553 -24.842 1.299 1.00 0.00 C ATOM 1241 O GLY A 77 41.063 -24.254 2.249 1.00 0.00 O ATOM 1242 OXT GLY A 77 41.880 -26.019 1.320 1.00 0.00 O ATOM 0 H GLY A 77 43.845 -23.669 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 77 40.892 -23.457 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 77 41.911 -24.747 -0.829 1.00 0.00 H new TER 1246 GLY A 77