USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=20 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 Set 1.1: A 12 SER OG : rot -125:sc= 1.45 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0.681 USER MOD Single : A 1 ALA N :NH3+ 180:sc= -0.119 (180deg=-0.119) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.12) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -53:sc= -4.68! USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0422) USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.389) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00301) USER MOD Single : A 29 MET CE :methyl -121:sc= -0.091 (180deg=-0.653) USER MOD Single : A 30 LYS NZ :NH3+ -143:sc= -0.213 (180deg=-1.31!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -6.42! C(o=-6.4!,f=-13!) USER MOD Single : A 36 ASN : amide:sc= -12.3! C(o=-12!,f=-15!) USER MOD Single : A 37 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.67) USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= 0.0877 (180deg=-0.0058) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.106 (180deg=0.105) USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= -0.184 (180deg=-1.68!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 139:sc= -1.31 USER MOD Single : A 57 THR OG1 : rot -45:sc= 0.417! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 76:sc= 0.471 USER MOD Single : A 67 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.02) USER MOD Single : A 68 TYR OH : rot 130:sc= -1.1 USER MOD Single : A 70 HIS : no HD1:sc= -0.675 X(o=-0.67,f=-0.85) USER MOD Single : A 75 GLN : amide:sc= -0.155 K(o=-0.16,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 70.327 -11.340 -2.732 1.00 0.00 N ATOM 2 CA ALA A 1 69.232 -11.955 -3.538 1.00 0.00 C ATOM 3 C ALA A 1 67.996 -12.192 -2.664 1.00 0.00 C ATOM 4 O ALA A 1 67.058 -12.852 -3.064 1.00 0.00 O ATOM 5 CB ALA A 1 69.801 -13.287 -4.029 1.00 0.00 C ATOM 0 H1 ALA A 1 71.158 -11.185 -3.337 1.00 0.00 H new ATOM 0 H2 ALA A 1 70.005 -10.429 -2.346 1.00 0.00 H new ATOM 0 H3 ALA A 1 70.582 -11.976 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 1 68.920 -11.314 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 1 69.053 -13.802 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 1 70.690 -13.103 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 1 70.067 -13.907 -3.173 1.00 0.00 H new ATOM 13 N LYS A 2 67.988 -11.657 -1.473 1.00 0.00 N ATOM 14 CA LYS A 2 66.812 -11.853 -0.577 1.00 0.00 C ATOM 15 C LYS A 2 66.836 -10.831 0.563 1.00 0.00 C ATOM 16 O LYS A 2 67.123 -11.156 1.699 1.00 0.00 O ATOM 17 CB LYS A 2 66.965 -13.272 -0.028 1.00 0.00 C ATOM 18 CG LYS A 2 65.841 -13.559 0.970 1.00 0.00 C ATOM 19 CD LYS A 2 65.629 -15.069 1.082 1.00 0.00 C ATOM 20 CE LYS A 2 64.311 -15.448 0.405 1.00 0.00 C ATOM 21 NZ LYS A 2 63.979 -16.799 0.936 1.00 0.00 N ATOM 0 H LYS A 2 68.743 -11.094 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 2 65.867 -11.718 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 2 66.934 -13.994 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 2 67.934 -13.382 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 2 66.092 -13.143 1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 2 64.920 -13.075 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 2 66.457 -15.600 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 2 65.612 -15.368 2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 2 63.526 -14.728 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 2 64.415 -15.465 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 63.086 -17.127 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 64.740 -17.464 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 63.879 -16.751 1.970 1.00 0.00 H new ATOM 35 N GLN A 3 66.534 -9.596 0.268 1.00 0.00 N ATOM 36 CA GLN A 3 66.536 -8.551 1.332 1.00 0.00 C ATOM 37 C GLN A 3 65.101 -8.145 1.675 1.00 0.00 C ATOM 38 O GLN A 3 64.169 -8.900 1.483 1.00 0.00 O ATOM 39 CB GLN A 3 67.296 -7.371 0.725 1.00 0.00 C ATOM 40 CG GLN A 3 66.412 -6.671 -0.311 1.00 0.00 C ATOM 41 CD GLN A 3 67.294 -6.018 -1.376 1.00 0.00 C ATOM 42 OE1 GLN A 3 67.012 -6.110 -2.555 1.00 0.00 O ATOM 43 NE2 GLN A 3 68.357 -5.358 -1.008 1.00 0.00 N ATOM 0 H GLN A 3 66.286 -9.265 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 3 66.997 -8.901 2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 3 67.583 -6.669 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 3 68.216 -7.720 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 3 65.737 -7.390 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 3 65.791 -5.918 0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 3 68.593 -5.281 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 3 68.953 -4.918 -1.710 1.00 0.00 H new ATOM 52 N ASP A 4 64.916 -6.955 2.176 1.00 0.00 N ATOM 53 CA ASP A 4 63.535 -6.502 2.525 1.00 0.00 C ATOM 54 C ASP A 4 63.436 -4.994 2.438 1.00 0.00 C ATOM 55 O ASP A 4 63.840 -4.265 3.320 1.00 0.00 O ATOM 56 CB ASP A 4 63.242 -6.980 3.961 1.00 0.00 C ATOM 57 CG ASP A 4 64.476 -7.644 4.588 1.00 0.00 C ATOM 58 OD1 ASP A 4 65.332 -6.920 5.069 1.00 0.00 O ATOM 59 OD2 ASP A 4 64.539 -8.862 4.577 1.00 0.00 O ATOM 0 H ASP A 4 65.656 -6.277 2.359 1.00 0.00 H new ATOM 0 HA ASP A 4 62.808 -6.919 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.931 -6.133 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 4 62.412 -7.686 3.950 1.00 0.00 H new ATOM 64 N TYR A 5 62.886 -4.535 1.364 1.00 0.00 N ATOM 65 CA TYR A 5 62.727 -3.068 1.174 1.00 0.00 C ATOM 66 C TYR A 5 62.179 -2.445 2.453 1.00 0.00 C ATOM 67 O TYR A 5 62.750 -1.515 2.989 1.00 0.00 O ATOM 68 CB TYR A 5 61.764 -2.842 0.000 1.00 0.00 C ATOM 69 CG TYR A 5 61.294 -4.138 -0.600 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.280 -4.864 0.019 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.887 -4.607 -1.774 1.00 0.00 C ATOM 72 CE1 TYR A 5 59.843 -6.071 -0.541 1.00 0.00 C ATOM 73 CE2 TYR A 5 61.456 -5.814 -2.338 1.00 0.00 C ATOM 74 CZ TYR A 5 60.431 -6.546 -1.722 1.00 0.00 C ATOM 75 OH TYR A 5 60.004 -7.735 -2.276 1.00 0.00 O ATOM 0 H TYR A 5 62.535 -5.111 0.599 1.00 0.00 H new ATOM 0 HA TYR A 5 63.686 -2.599 0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.903 -2.268 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 5 62.260 -2.246 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.831 -4.497 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 5 62.676 -4.040 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 5 59.055 -6.635 -0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.912 -6.180 -3.246 1.00 0.00 H new ATOM 0 HH TYR A 5 60.515 -7.918 -3.092 1.00 0.00 H new ATOM 85 N TYR A 6 61.095 -2.961 2.970 1.00 0.00 N ATOM 86 CA TYR A 6 60.557 -2.400 4.237 1.00 0.00 C ATOM 87 C TYR A 6 61.717 -2.239 5.209 1.00 0.00 C ATOM 88 O TYR A 6 61.765 -1.325 6.007 1.00 0.00 O ATOM 89 CB TYR A 6 59.551 -3.425 4.735 1.00 0.00 C ATOM 90 CG TYR A 6 58.224 -3.179 4.058 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.398 -2.135 4.493 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.810 -4.010 3.010 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.160 -1.921 3.876 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.569 -3.797 2.397 1.00 0.00 C ATOM 95 CZ TYR A 6 55.748 -2.751 2.832 1.00 0.00 C ATOM 96 OH TYR A 6 54.528 -2.538 2.235 1.00 0.00 O ATOM 0 H TYR A 6 60.566 -3.738 2.573 1.00 0.00 H new ATOM 0 HA TYR A 6 60.081 -1.426 4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.903 -4.434 4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.441 -3.350 5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.716 -1.496 5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.447 -4.815 2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.524 -1.114 4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.246 -4.439 1.590 1.00 0.00 H new ATOM 0 HH TYR A 6 53.828 -2.514 2.921 1.00 0.00 H new ATOM 106 N GLU A 7 62.679 -3.111 5.099 1.00 0.00 N ATOM 107 CA GLU A 7 63.882 -3.016 5.961 1.00 0.00 C ATOM 108 C GLU A 7 64.900 -2.116 5.264 1.00 0.00 C ATOM 109 O GLU A 7 65.665 -1.416 5.896 1.00 0.00 O ATOM 110 CB GLU A 7 64.410 -4.446 6.077 1.00 0.00 C ATOM 111 CG GLU A 7 65.274 -4.569 7.334 1.00 0.00 C ATOM 112 CD GLU A 7 64.610 -5.534 8.317 1.00 0.00 C ATOM 113 OE1 GLU A 7 63.827 -6.357 7.872 1.00 0.00 O ATOM 114 OE2 GLU A 7 64.895 -5.433 9.498 1.00 0.00 O ATOM 0 H GLU A 7 62.680 -3.891 4.442 1.00 0.00 H new ATOM 0 HA GLU A 7 63.676 -2.596 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.579 -5.150 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 7 64.995 -4.702 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 7 66.269 -4.929 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 7 65.401 -3.591 7.798 1.00 0.00 H new ATOM 121 N ILE A 8 64.905 -2.129 3.953 1.00 0.00 N ATOM 122 CA ILE A 8 65.864 -1.270 3.208 1.00 0.00 C ATOM 123 C ILE A 8 65.749 0.168 3.710 1.00 0.00 C ATOM 124 O ILE A 8 66.731 0.841 3.953 1.00 0.00 O ATOM 125 CB ILE A 8 65.452 -1.347 1.747 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.892 -2.701 1.173 1.00 0.00 C ATOM 127 CG2 ILE A 8 66.140 -0.219 0.972 1.00 0.00 C ATOM 128 CD1 ILE A 8 65.635 -2.731 -0.335 1.00 0.00 C ATOM 0 H ILE A 8 64.287 -2.697 3.373 1.00 0.00 H new ATOM 0 HA ILE A 8 66.895 -1.596 3.345 1.00 0.00 H new ATOM 0 HB ILE A 8 64.370 -1.245 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 8 66.951 -2.865 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 8 65.346 -3.508 1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.849 -0.268 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.840 0.743 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 8 67.221 -0.328 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 8 65.949 -3.694 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 8 64.572 -2.587 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 8 66.201 -1.934 -0.817 1.00 0.00 H new ATOM 140 N LEU A 9 64.542 0.633 3.871 1.00 0.00 N ATOM 141 CA LEU A 9 64.328 2.024 4.365 1.00 0.00 C ATOM 142 C LEU A 9 64.334 2.018 5.895 1.00 0.00 C ATOM 143 O LEU A 9 63.985 2.988 6.540 1.00 0.00 O ATOM 144 CB LEU A 9 62.957 2.427 3.825 1.00 0.00 C ATOM 145 CG LEU A 9 62.834 1.984 2.369 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.765 0.895 2.252 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.440 3.180 1.504 1.00 0.00 C ATOM 0 H LEU A 9 63.689 0.107 3.681 1.00 0.00 H new ATOM 0 HA LEU A 9 65.102 2.719 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.169 1.969 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.828 3.507 3.900 1.00 0.00 H new ATOM 0 HG LEU A 9 63.791 1.589 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.679 0.580 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 9 62.047 0.041 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.807 1.287 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.352 2.864 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.483 3.576 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.203 3.954 1.585 1.00 0.00 H new ATOM 159 N GLY A 10 64.736 0.926 6.480 1.00 0.00 N ATOM 160 CA GLY A 10 64.781 0.846 7.962 1.00 0.00 C ATOM 161 C GLY A 10 63.366 0.752 8.538 1.00 0.00 C ATOM 162 O GLY A 10 63.166 0.941 9.721 1.00 0.00 O ATOM 0 H GLY A 10 65.036 0.082 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.363 -0.024 8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.286 1.724 8.364 1.00 0.00 H new ATOM 166 N VAL A 11 62.376 0.453 7.733 1.00 0.00 N ATOM 167 CA VAL A 11 60.996 0.351 8.307 1.00 0.00 C ATOM 168 C VAL A 11 60.610 -1.109 8.518 1.00 0.00 C ATOM 169 O VAL A 11 61.335 -2.020 8.175 1.00 0.00 O ATOM 170 CB VAL A 11 60.004 0.967 7.311 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.291 2.142 7.969 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.679 1.452 6.036 1.00 0.00 C ATOM 0 H VAL A 11 62.457 0.279 6.731 1.00 0.00 H new ATOM 0 HA VAL A 11 60.973 0.873 9.263 1.00 0.00 H new ATOM 0 HB VAL A 11 59.297 0.185 7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.586 2.581 7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.753 1.794 8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.024 2.893 8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.931 1.878 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.420 2.212 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.170 0.613 5.543 1.00 0.00 H new ATOM 182 N SER A 12 59.448 -1.330 9.066 1.00 0.00 N ATOM 183 CA SER A 12 58.977 -2.720 9.283 1.00 0.00 C ATOM 184 C SER A 12 58.232 -3.207 8.049 1.00 0.00 C ATOM 185 O SER A 12 57.632 -2.433 7.331 1.00 0.00 O ATOM 186 CB SER A 12 58.039 -2.644 10.486 1.00 0.00 C ATOM 187 OG SER A 12 57.021 -3.629 10.353 1.00 0.00 O ATOM 0 H SER A 12 58.803 -0.602 9.373 1.00 0.00 H new ATOM 0 HA SER A 12 59.797 -3.415 9.460 1.00 0.00 H new ATOM 0 HB2 SER A 12 58.598 -2.805 11.408 1.00 0.00 H new ATOM 0 HB3 SER A 12 57.594 -1.651 10.552 1.00 0.00 H new ATOM 0 HG SER A 12 56.142 -3.202 10.420 1.00 0.00 H new ATOM 193 N LYS A 13 58.245 -4.485 7.795 1.00 0.00 N ATOM 194 CA LYS A 13 57.508 -4.993 6.611 1.00 0.00 C ATOM 195 C LYS A 13 56.076 -4.476 6.663 1.00 0.00 C ATOM 196 O LYS A 13 55.377 -4.428 5.670 1.00 0.00 O ATOM 197 CB LYS A 13 57.563 -6.507 6.719 1.00 0.00 C ATOM 198 CG LYS A 13 56.859 -6.961 8.001 1.00 0.00 C ATOM 199 CD LYS A 13 57.764 -7.926 8.774 1.00 0.00 C ATOM 200 CE LYS A 13 58.045 -7.358 10.168 1.00 0.00 C ATOM 201 NZ LYS A 13 59.509 -7.090 10.190 1.00 0.00 N ATOM 0 H LYS A 13 58.729 -5.191 8.350 1.00 0.00 H new ATOM 0 HA LYS A 13 57.935 -4.663 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 13 57.085 -6.960 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 13 58.600 -6.843 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 13 56.619 -6.097 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.916 -7.449 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 13 57.286 -8.902 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.700 -8.074 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 13 57.475 -6.446 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 13 57.762 -8.066 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 59.747 -6.532 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 60.027 -7.992 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 59.778 -6.559 9.337 1.00 0.00 H new ATOM 215 N THR A 14 55.645 -4.070 7.823 1.00 0.00 N ATOM 216 CA THR A 14 54.272 -3.533 7.968 1.00 0.00 C ATOM 217 C THR A 14 54.328 -2.004 8.040 1.00 0.00 C ATOM 218 O THR A 14 53.345 -1.355 8.339 1.00 0.00 O ATOM 219 CB THR A 14 53.751 -4.126 9.282 1.00 0.00 C ATOM 220 OG1 THR A 14 54.231 -3.353 10.372 1.00 0.00 O ATOM 221 CG2 THR A 14 54.244 -5.570 9.421 1.00 0.00 C ATOM 0 H THR A 14 56.193 -4.089 8.683 1.00 0.00 H new ATOM 0 HA THR A 14 53.624 -3.792 7.130 1.00 0.00 H new ATOM 0 HB THR A 14 52.661 -4.114 9.281 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.897 -3.730 11.213 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.874 -5.992 10.355 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.875 -6.163 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.334 -5.584 9.423 1.00 0.00 H new ATOM 229 N ALA A 15 55.476 -1.424 7.768 1.00 0.00 N ATOM 230 CA ALA A 15 55.607 0.055 7.809 1.00 0.00 C ATOM 231 C ALA A 15 54.571 0.721 6.899 1.00 0.00 C ATOM 232 O ALA A 15 53.467 0.248 6.728 1.00 0.00 O ATOM 233 CB ALA A 15 57.007 0.309 7.277 1.00 0.00 C ATOM 0 H ALA A 15 56.330 -1.923 7.518 1.00 0.00 H new ATOM 0 HA ALA A 15 55.446 0.460 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.203 1.381 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.735 -0.187 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 15 57.088 -0.084 6.264 1.00 0.00 H new ATOM 239 N GLU A 16 54.941 1.814 6.305 1.00 0.00 N ATOM 240 CA GLU A 16 54.013 2.536 5.387 1.00 0.00 C ATOM 241 C GLU A 16 54.825 3.394 4.403 1.00 0.00 C ATOM 242 O GLU A 16 55.817 2.948 3.867 1.00 0.00 O ATOM 243 CB GLU A 16 53.137 3.414 6.290 1.00 0.00 C ATOM 244 CG GLU A 16 52.259 2.528 7.178 1.00 0.00 C ATOM 245 CD GLU A 16 51.019 3.312 7.615 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.464 4.014 6.786 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.644 3.194 8.770 1.00 0.00 O ATOM 0 H GLU A 16 55.858 2.247 6.415 1.00 0.00 H new ATOM 0 HA GLU A 16 53.403 1.855 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.764 4.056 6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.512 4.068 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.962 1.631 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.822 2.200 8.052 1.00 0.00 H new ATOM 254 N GLU A 17 54.404 4.605 4.146 1.00 0.00 N ATOM 255 CA GLU A 17 55.147 5.481 3.185 1.00 0.00 C ATOM 256 C GLU A 17 56.220 6.335 3.886 1.00 0.00 C ATOM 257 O GLU A 17 57.399 6.051 3.830 1.00 0.00 O ATOM 258 CB GLU A 17 54.068 6.372 2.569 1.00 0.00 C ATOM 259 CG GLU A 17 54.710 7.345 1.578 1.00 0.00 C ATOM 260 CD GLU A 17 53.846 7.431 0.318 1.00 0.00 C ATOM 261 OE1 GLU A 17 52.647 7.612 0.456 1.00 0.00 O ATOM 262 OE2 GLU A 17 54.398 7.313 -0.764 1.00 0.00 O ATOM 0 H GLU A 17 53.574 5.029 4.561 1.00 0.00 H new ATOM 0 HA GLU A 17 55.686 4.891 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.322 5.760 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.548 6.924 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 17 54.809 8.331 2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.715 7.010 1.321 1.00 0.00 H new ATOM 269 N ARG A 18 55.802 7.404 4.508 1.00 0.00 N ATOM 270 CA ARG A 18 56.756 8.341 5.197 1.00 0.00 C ATOM 271 C ARG A 18 57.915 7.610 5.890 1.00 0.00 C ATOM 272 O ARG A 18 59.063 7.951 5.709 1.00 0.00 O ATOM 273 CB ARG A 18 55.914 9.096 6.236 1.00 0.00 C ATOM 274 CG ARG A 18 54.762 8.215 6.739 1.00 0.00 C ATOM 275 CD ARG A 18 54.354 8.655 8.148 1.00 0.00 C ATOM 276 NE ARG A 18 55.416 8.118 9.045 1.00 0.00 N ATOM 277 CZ ARG A 18 55.185 7.989 10.324 1.00 0.00 C ATOM 278 NH1 ARG A 18 55.175 9.043 11.095 1.00 0.00 N ATOM 279 NH2 ARG A 18 54.969 6.807 10.834 1.00 0.00 N ATOM 0 H ARG A 18 54.822 7.678 4.573 1.00 0.00 H new ATOM 0 HA ARG A 18 57.222 9.003 4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.543 9.395 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.515 10.009 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.911 8.292 6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.068 7.169 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.290 9.741 8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.374 8.260 8.416 1.00 0.00 H new ATOM 0 HE ARG A 18 56.322 7.851 8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 18 55.348 9.967 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 18 54.995 8.943 12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 18 54.981 5.983 10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 18 54.789 6.708 11.833 1.00 0.00 H new ATOM 293 N GLU A 19 57.636 6.628 6.690 1.00 0.00 N ATOM 294 CA GLU A 19 58.730 5.913 7.386 1.00 0.00 C ATOM 295 C GLU A 19 59.567 5.165 6.356 1.00 0.00 C ATOM 296 O GLU A 19 60.726 4.870 6.569 1.00 0.00 O ATOM 297 CB GLU A 19 58.029 4.957 8.347 1.00 0.00 C ATOM 298 CG GLU A 19 56.907 4.211 7.624 1.00 0.00 C ATOM 299 CD GLU A 19 55.573 4.533 8.300 1.00 0.00 C ATOM 300 OE1 GLU A 19 55.160 5.678 8.234 1.00 0.00 O ATOM 301 OE2 GLU A 19 54.989 3.628 8.872 1.00 0.00 O ATOM 0 H GLU A 19 56.696 6.289 6.892 1.00 0.00 H new ATOM 0 HA GLU A 19 59.407 6.575 7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.748 4.244 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.621 5.513 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.877 4.504 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.092 3.137 7.650 1.00 0.00 H new ATOM 308 N ILE A 20 58.992 4.897 5.220 1.00 0.00 N ATOM 309 CA ILE A 20 59.754 4.214 4.143 1.00 0.00 C ATOM 310 C ILE A 20 60.481 5.273 3.322 1.00 0.00 C ATOM 311 O ILE A 20 61.652 5.145 3.027 1.00 0.00 O ATOM 312 CB ILE A 20 58.699 3.439 3.335 1.00 0.00 C ATOM 313 CG1 ILE A 20 59.077 1.955 3.315 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.584 3.957 1.896 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.135 1.174 4.232 1.00 0.00 C ATOM 0 H ILE A 20 58.024 5.122 4.991 1.00 0.00 H new ATOM 0 HA ILE A 20 60.519 3.525 4.502 1.00 0.00 H new ATOM 0 HB ILE A 20 57.731 3.583 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 20 59.015 1.567 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 20 60.109 1.828 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 20 57.828 3.382 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.297 5.009 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.545 3.849 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.405 0.118 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.219 1.555 5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 20 57.109 1.291 3.884 1.00 0.00 H new ATOM 327 N ARG A 21 59.814 6.341 2.987 1.00 0.00 N ATOM 328 CA ARG A 21 60.519 7.406 2.229 1.00 0.00 C ATOM 329 C ARG A 21 61.499 8.066 3.190 1.00 0.00 C ATOM 330 O ARG A 21 62.589 8.455 2.825 1.00 0.00 O ATOM 331 CB ARG A 21 59.439 8.390 1.751 1.00 0.00 C ATOM 332 CG ARG A 21 58.926 9.228 2.923 1.00 0.00 C ATOM 333 CD ARG A 21 59.920 10.354 3.233 1.00 0.00 C ATOM 334 NE ARG A 21 59.192 11.613 2.913 1.00 0.00 N ATOM 335 CZ ARG A 21 58.813 11.858 1.689 1.00 0.00 C ATOM 336 NH1 ARG A 21 59.620 11.609 0.693 1.00 0.00 N ATOM 337 NH2 ARG A 21 57.628 12.353 1.461 1.00 0.00 N ATOM 0 H ARG A 21 58.833 6.520 3.200 1.00 0.00 H new ATOM 0 HA ARG A 21 61.073 7.036 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.848 9.043 0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.613 7.842 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.950 9.649 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.792 8.597 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 21 60.228 10.331 4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.824 10.258 2.632 1.00 0.00 H new ATOM 0 HE ARG A 21 58.989 12.285 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 21 60.547 11.223 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 21 59.323 11.801 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 21 56.998 12.548 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 21 57.331 12.545 0.504 1.00 0.00 H new ATOM 351 N LYS A 22 61.109 8.160 4.433 1.00 0.00 N ATOM 352 CA LYS A 22 61.984 8.760 5.467 1.00 0.00 C ATOM 353 C LYS A 22 63.407 8.211 5.342 1.00 0.00 C ATOM 354 O LYS A 22 64.366 8.942 5.400 1.00 0.00 O ATOM 355 CB LYS A 22 61.345 8.346 6.803 1.00 0.00 C ATOM 356 CG LYS A 22 62.413 8.254 7.898 1.00 0.00 C ATOM 357 CD LYS A 22 63.195 9.568 7.958 1.00 0.00 C ATOM 358 CE LYS A 22 62.462 10.543 8.876 1.00 0.00 C ATOM 359 NZ LYS A 22 63.535 11.260 9.621 1.00 0.00 N ATOM 0 H LYS A 22 60.204 7.839 4.776 1.00 0.00 H new ATOM 0 HA LYS A 22 62.064 9.843 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.583 9.071 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.845 7.384 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.945 8.052 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 22 63.090 7.425 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.204 9.389 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.293 9.993 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.849 11.238 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.794 10.016 9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.188 12.195 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.802 10.709 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.365 11.378 9.006 1.00 0.00 H new ATOM 373 N ALA A 23 63.554 6.928 5.187 1.00 0.00 N ATOM 374 CA ALA A 23 64.923 6.351 5.081 1.00 0.00 C ATOM 375 C ALA A 23 65.648 6.868 3.838 1.00 0.00 C ATOM 376 O ALA A 23 66.772 7.313 3.910 1.00 0.00 O ATOM 377 CB ALA A 23 64.707 4.845 4.967 1.00 0.00 C ATOM 0 H ALA A 23 62.790 6.255 5.129 1.00 0.00 H new ATOM 0 HA ALA A 23 65.538 6.625 5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 23 65.672 4.344 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 23 64.185 4.484 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 23 64.109 4.629 4.081 1.00 0.00 H new ATOM 383 N TYR A 24 65.014 6.819 2.701 1.00 0.00 N ATOM 384 CA TYR A 24 65.668 7.303 1.462 1.00 0.00 C ATOM 385 C TYR A 24 65.813 8.808 1.547 1.00 0.00 C ATOM 386 O TYR A 24 66.638 9.406 0.897 1.00 0.00 O ATOM 387 CB TYR A 24 64.715 6.905 0.333 1.00 0.00 C ATOM 388 CG TYR A 24 65.390 7.111 -1.001 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.732 6.747 -1.172 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.674 7.666 -2.067 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.355 6.939 -2.411 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.298 7.857 -3.305 1.00 0.00 C ATOM 393 CZ TYR A 24 66.639 7.494 -3.478 1.00 0.00 C ATOM 394 OH TYR A 24 67.252 7.684 -4.699 1.00 0.00 O ATOM 0 H TYR A 24 64.066 6.462 2.579 1.00 0.00 H new ATOM 0 HA TYR A 24 66.662 6.885 1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.420 5.862 0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.804 7.501 0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.285 6.319 -0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.640 7.947 -1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.389 6.658 -2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 24 64.744 8.285 -4.128 1.00 0.00 H new ATOM 0 HH TYR A 24 66.612 8.078 -5.328 1.00 0.00 H new ATOM 404 N LYS A 25 65.010 9.429 2.350 1.00 0.00 N ATOM 405 CA LYS A 25 65.097 10.888 2.496 1.00 0.00 C ATOM 406 C LYS A 25 66.056 11.233 3.642 1.00 0.00 C ATOM 407 O LYS A 25 66.828 12.169 3.564 1.00 0.00 O ATOM 408 CB LYS A 25 63.647 11.273 2.768 1.00 0.00 C ATOM 409 CG LYS A 25 63.560 12.418 3.770 1.00 0.00 C ATOM 410 CD LYS A 25 63.192 11.819 5.117 1.00 0.00 C ATOM 411 CE LYS A 25 63.464 12.834 6.229 1.00 0.00 C ATOM 412 NZ LYS A 25 62.143 13.465 6.506 1.00 0.00 N ATOM 0 H LYS A 25 64.291 8.979 2.916 1.00 0.00 H new ATOM 0 HA LYS A 25 65.498 11.425 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.164 11.565 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.104 10.409 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 25 64.511 12.946 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 25 62.811 13.146 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 25 62.140 11.533 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 25 63.770 10.911 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 25 63.863 12.347 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 25 64.198 13.576 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 62.245 14.162 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 61.799 13.941 5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 61.462 12.733 6.793 1.00 0.00 H new ATOM 426 N ARG A 26 66.011 10.479 4.707 1.00 0.00 N ATOM 427 CA ARG A 26 66.911 10.748 5.861 1.00 0.00 C ATOM 428 C ARG A 26 68.253 10.012 5.695 1.00 0.00 C ATOM 429 O ARG A 26 69.285 10.498 6.115 1.00 0.00 O ATOM 430 CB ARG A 26 66.129 10.269 7.096 1.00 0.00 C ATOM 431 CG ARG A 26 66.189 8.747 7.238 1.00 0.00 C ATOM 432 CD ARG A 26 66.795 8.401 8.596 1.00 0.00 C ATOM 433 NE ARG A 26 67.137 6.953 8.507 1.00 0.00 N ATOM 434 CZ ARG A 26 67.414 6.280 9.591 1.00 0.00 C ATOM 435 NH1 ARG A 26 67.774 6.907 10.677 1.00 0.00 N ATOM 436 NH2 ARG A 26 67.331 4.977 9.588 1.00 0.00 N ATOM 0 H ARG A 26 65.384 9.683 4.826 1.00 0.00 H new ATOM 0 HA ARG A 26 67.173 11.802 5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.539 10.736 7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 26 65.090 10.588 7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.190 8.321 7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 26 66.790 8.317 6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 26 67.680 9.004 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 26 66.088 8.591 9.404 1.00 0.00 H new ATOM 0 HE ARG A 26 67.155 6.488 7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 26 67.839 7.925 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 26 67.990 6.379 11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 26 67.050 4.486 8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 26 67.547 4.450 10.434 1.00 0.00 H new ATOM 450 N LEU A 27 68.258 8.856 5.079 1.00 0.00 N ATOM 451 CA LEU A 27 69.542 8.122 4.886 1.00 0.00 C ATOM 452 C LEU A 27 70.288 8.694 3.686 1.00 0.00 C ATOM 453 O LEU A 27 71.502 8.753 3.658 1.00 0.00 O ATOM 454 CB LEU A 27 69.152 6.653 4.648 1.00 0.00 C ATOM 455 CG LEU A 27 68.989 6.361 3.151 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.363 6.118 2.522 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.118 5.117 2.968 1.00 0.00 C ATOM 0 H LEU A 27 67.431 8.392 4.703 1.00 0.00 H new ATOM 0 HA LEU A 27 70.204 8.215 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 27 69.915 5.998 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 27 68.220 6.432 5.168 1.00 0.00 H new ATOM 0 HG LEU A 27 68.515 7.214 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 27 70.245 5.911 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.985 7.004 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.840 5.266 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 27 68.001 4.908 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 27 68.593 4.265 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.138 5.290 3.414 1.00 0.00 H new ATOM 469 N ALA A 28 69.559 9.097 2.687 1.00 0.00 N ATOM 470 CA ALA A 28 70.202 9.644 1.472 1.00 0.00 C ATOM 471 C ALA A 28 70.700 11.054 1.749 1.00 0.00 C ATOM 472 O ALA A 28 71.804 11.408 1.388 1.00 0.00 O ATOM 473 CB ALA A 28 69.098 9.621 0.426 1.00 0.00 C ATOM 0 H ALA A 28 68.540 9.069 2.663 1.00 0.00 H new ATOM 0 HA ALA A 28 71.073 9.077 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.482 10.011 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.755 8.597 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.265 10.239 0.762 1.00 0.00 H new ATOM 479 N MET A 29 69.930 11.854 2.426 1.00 0.00 N ATOM 480 CA MET A 29 70.429 13.210 2.749 1.00 0.00 C ATOM 481 C MET A 29 71.741 13.037 3.507 1.00 0.00 C ATOM 482 O MET A 29 72.625 13.864 3.451 1.00 0.00 O ATOM 483 CB MET A 29 69.359 13.850 3.636 1.00 0.00 C ATOM 484 CG MET A 29 69.333 13.149 4.995 1.00 0.00 C ATOM 485 SD MET A 29 68.282 14.083 6.135 1.00 0.00 S ATOM 486 CE MET A 29 69.450 15.421 6.478 1.00 0.00 C ATOM 0 H MET A 29 68.994 11.632 2.764 1.00 0.00 H new ATOM 0 HA MET A 29 70.609 13.833 1.873 1.00 0.00 H new ATOM 0 HB2 MET A 29 69.568 14.912 3.767 1.00 0.00 H new ATOM 0 HB3 MET A 29 68.383 13.774 3.158 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.955 12.133 4.885 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.344 13.072 5.396 1.00 0.00 H new ATOM 0 HE1 MET A 29 69.659 15.457 7.547 1.00 0.00 H new ATOM 0 HE2 MET A 29 70.377 15.243 5.933 1.00 0.00 H new ATOM 0 HE3 MET A 29 69.019 16.370 6.160 1.00 0.00 H new ATOM 496 N LYS A 30 71.869 11.935 4.199 1.00 0.00 N ATOM 497 CA LYS A 30 73.124 11.652 4.948 1.00 0.00 C ATOM 498 C LYS A 30 74.102 10.896 4.041 1.00 0.00 C ATOM 499 O LYS A 30 75.281 10.800 4.324 1.00 0.00 O ATOM 500 CB LYS A 30 72.697 10.769 6.122 1.00 0.00 C ATOM 501 CG LYS A 30 72.724 11.586 7.415 1.00 0.00 C ATOM 502 CD LYS A 30 71.368 11.473 8.113 1.00 0.00 C ATOM 503 CE LYS A 30 71.539 11.748 9.608 1.00 0.00 C ATOM 504 NZ LYS A 30 72.323 10.592 10.122 1.00 0.00 N ATOM 0 H LYS A 30 71.151 11.215 4.276 1.00 0.00 H new ATOM 0 HA LYS A 30 73.624 12.560 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 30 71.695 10.376 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.365 9.912 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.515 11.223 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.946 12.630 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.664 12.183 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 30 70.951 10.478 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 30 72.063 12.688 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 30 70.574 11.825 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 71.985 10.339 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 72.202 9.780 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 73.330 10.849 10.169 1.00 0.00 H new ATOM 518 N TYR A 31 73.614 10.345 2.959 1.00 0.00 N ATOM 519 CA TYR A 31 74.507 9.580 2.040 1.00 0.00 C ATOM 520 C TYR A 31 74.715 10.325 0.730 1.00 0.00 C ATOM 521 O TYR A 31 75.255 9.798 -0.220 1.00 0.00 O ATOM 522 CB TYR A 31 73.788 8.263 1.789 1.00 0.00 C ATOM 523 CG TYR A 31 74.382 7.209 2.682 1.00 0.00 C ATOM 524 CD1 TYR A 31 74.580 7.483 4.038 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.744 5.965 2.158 1.00 0.00 C ATOM 526 CE1 TYR A 31 75.139 6.513 4.874 1.00 0.00 C ATOM 527 CE2 TYR A 31 75.304 4.993 2.991 1.00 0.00 C ATOM 528 CZ TYR A 31 75.501 5.265 4.351 1.00 0.00 C ATOM 529 OH TYR A 31 76.054 4.307 5.175 1.00 0.00 O ATOM 0 H TYR A 31 72.636 10.392 2.673 1.00 0.00 H new ATOM 0 HA TYR A 31 75.496 9.435 2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.722 8.371 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.888 7.972 0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 31 74.301 8.446 4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 31 74.591 5.755 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 31 75.292 6.725 5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 31 75.585 4.032 2.586 1.00 0.00 H new ATOM 0 HH TYR A 31 76.246 3.499 4.654 1.00 0.00 H new ATOM 539 N HIS A 32 74.298 11.546 0.695 1.00 0.00 N ATOM 540 CA HIS A 32 74.469 12.386 -0.518 1.00 0.00 C ATOM 541 C HIS A 32 75.948 12.415 -0.914 1.00 0.00 C ATOM 542 O HIS A 32 76.672 11.503 -0.572 1.00 0.00 O ATOM 543 CB HIS A 32 73.949 13.724 -0.019 1.00 0.00 C ATOM 544 CG HIS A 32 74.938 14.283 0.972 1.00 0.00 C ATOM 545 ND1 HIS A 32 74.721 14.205 2.339 1.00 0.00 N ATOM 546 CD2 HIS A 32 76.154 14.907 0.825 1.00 0.00 C ATOM 547 CE1 HIS A 32 75.773 14.773 2.953 1.00 0.00 C ATOM 548 NE2 HIS A 32 76.677 15.217 2.077 1.00 0.00 N ATOM 0 H HIS A 32 73.833 12.014 1.473 1.00 0.00 H new ATOM 0 HA HIS A 32 73.953 12.048 -1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 32 73.817 14.414 -0.853 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.973 13.600 0.449 1.00 0.00 H new ATOM 0 HD1 HIS A 32 73.909 13.791 2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 32 76.631 15.124 -0.119 1.00 0.00 H new ATOM 0 HE1 HIS A 32 75.875 14.860 4.025 1.00 0.00 H new ATOM 556 N PRO A 33 76.394 13.426 -1.618 1.00 0.00 N ATOM 557 CA PRO A 33 77.820 13.448 -2.005 1.00 0.00 C ATOM 558 C PRO A 33 78.718 13.634 -0.774 1.00 0.00 C ATOM 559 O PRO A 33 79.666 14.396 -0.786 1.00 0.00 O ATOM 560 CB PRO A 33 77.919 14.609 -2.989 1.00 0.00 C ATOM 561 CG PRO A 33 76.761 15.489 -2.664 1.00 0.00 C ATOM 562 CD PRO A 33 75.676 14.612 -2.109 1.00 0.00 C ATOM 0 HA PRO A 33 78.159 12.515 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.863 15.142 -2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 33 77.871 14.258 -4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 33 77.048 16.250 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 33 76.414 16.012 -3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.132 15.110 -1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.946 14.348 -2.874 1.00 0.00 H new ATOM 570 N ASP A 34 78.447 12.893 0.275 1.00 0.00 N ATOM 571 CA ASP A 34 79.290 12.956 1.495 1.00 0.00 C ATOM 572 C ASP A 34 80.315 11.838 1.348 1.00 0.00 C ATOM 573 O ASP A 34 81.496 12.002 1.578 1.00 0.00 O ATOM 574 CB ASP A 34 78.312 12.695 2.668 1.00 0.00 C ATOM 575 CG ASP A 34 78.735 11.463 3.483 1.00 0.00 C ATOM 576 OD1 ASP A 34 79.794 11.513 4.087 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.993 10.495 3.485 1.00 0.00 O ATOM 0 H ASP A 34 77.665 12.241 0.331 1.00 0.00 H new ATOM 0 HA ASP A 34 79.815 13.898 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.278 13.570 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.305 12.548 2.279 1.00 0.00 H new ATOM 582 N ARG A 35 79.835 10.701 0.932 1.00 0.00 N ATOM 583 CA ARG A 35 80.709 9.529 0.716 1.00 0.00 C ATOM 584 C ARG A 35 80.342 8.874 -0.621 1.00 0.00 C ATOM 585 O ARG A 35 81.159 8.235 -1.253 1.00 0.00 O ATOM 586 CB ARG A 35 80.399 8.591 1.882 1.00 0.00 C ATOM 587 CG ARG A 35 78.911 8.227 1.858 1.00 0.00 C ATOM 588 CD ARG A 35 78.669 7.162 0.795 1.00 0.00 C ATOM 589 NE ARG A 35 78.115 5.993 1.531 1.00 0.00 N ATOM 590 CZ ARG A 35 78.789 4.875 1.583 1.00 0.00 C ATOM 591 NH1 ARG A 35 79.760 4.737 2.444 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.490 3.895 0.775 1.00 0.00 N ATOM 0 H ARG A 35 78.849 10.537 0.729 1.00 0.00 H new ATOM 0 HA ARG A 35 81.768 9.783 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 35 81.007 7.689 1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.652 9.071 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.599 7.859 2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 35 78.312 9.112 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.972 7.515 0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 35 79.594 6.901 0.281 1.00 0.00 H new ATOM 0 HE ARG A 35 77.209 6.065 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.993 5.502 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.286 3.864 2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 35 77.730 4.002 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.016 3.022 0.815 1.00 0.00 H new ATOM 606 N ASN A 36 79.108 9.022 -1.058 1.00 0.00 N ATOM 607 CA ASN A 36 78.698 8.401 -2.343 1.00 0.00 C ATOM 608 C ASN A 36 79.714 8.741 -3.433 1.00 0.00 C ATOM 609 O ASN A 36 79.858 8.030 -4.407 1.00 0.00 O ATOM 610 CB ASN A 36 77.338 9.026 -2.653 1.00 0.00 C ATOM 611 CG ASN A 36 76.229 8.175 -2.034 1.00 0.00 C ATOM 612 OD1 ASN A 36 76.499 7.213 -1.347 1.00 0.00 O ATOM 613 ND2 ASN A 36 74.983 8.495 -2.247 1.00 0.00 N ATOM 0 H ASN A 36 78.378 9.545 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 36 78.645 7.314 -2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 36 77.295 10.041 -2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 36 77.197 9.097 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 36 74.235 7.936 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 36 74.756 9.304 -2.825 1.00 0.00 H new ATOM 620 N GLN A 37 80.422 9.823 -3.272 1.00 0.00 N ATOM 621 CA GLN A 37 81.432 10.211 -4.296 1.00 0.00 C ATOM 622 C GLN A 37 82.712 9.395 -4.111 1.00 0.00 C ATOM 623 O GLN A 37 83.695 9.606 -4.792 1.00 0.00 O ATOM 624 CB GLN A 37 81.700 11.695 -4.049 1.00 0.00 C ATOM 625 CG GLN A 37 80.373 12.438 -3.879 1.00 0.00 C ATOM 626 CD GLN A 37 80.205 13.448 -5.013 1.00 0.00 C ATOM 627 OE1 GLN A 37 79.388 13.261 -5.893 1.00 0.00 O ATOM 628 NE2 GLN A 37 80.951 14.519 -5.032 1.00 0.00 N ATOM 0 H GLN A 37 80.345 10.456 -2.476 1.00 0.00 H new ATOM 0 HA GLN A 37 81.082 10.026 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 37 82.314 11.820 -3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 37 82.260 12.117 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 37 79.544 11.730 -3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 37 80.351 12.949 -2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 37 81.637 14.676 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 37 80.848 15.199 -5.785 1.00 0.00 H new ATOM 637 N GLY A 38 82.709 8.465 -3.197 1.00 0.00 N ATOM 638 CA GLY A 38 83.931 7.641 -2.980 1.00 0.00 C ATOM 639 C GLY A 38 83.646 6.191 -3.380 1.00 0.00 C ATOM 640 O GLY A 38 84.547 5.388 -3.518 1.00 0.00 O ATOM 0 H GLY A 38 81.918 8.241 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 38 84.758 8.036 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 38 84.234 7.688 -1.934 1.00 0.00 H new ATOM 644 N ASP A 39 82.399 5.852 -3.567 1.00 0.00 N ATOM 645 CA ASP A 39 82.057 4.451 -3.958 1.00 0.00 C ATOM 646 C ASP A 39 80.692 4.410 -4.652 1.00 0.00 C ATOM 647 O ASP A 39 79.677 4.722 -4.061 1.00 0.00 O ATOM 648 CB ASP A 39 82.002 3.666 -2.645 1.00 0.00 C ATOM 649 CG ASP A 39 83.307 3.855 -1.872 1.00 0.00 C ATOM 650 OD1 ASP A 39 83.410 4.837 -1.155 1.00 0.00 O ATOM 651 OD2 ASP A 39 84.182 3.016 -2.009 1.00 0.00 O ATOM 0 H ASP A 39 81.603 6.482 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 39 82.786 4.035 -4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 39 81.160 4.006 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 39 81.840 2.608 -2.850 1.00 0.00 H new ATOM 656 N LYS A 40 80.656 4.018 -5.897 1.00 0.00 N ATOM 657 CA LYS A 40 79.351 3.949 -6.611 1.00 0.00 C ATOM 658 C LYS A 40 78.727 2.582 -6.388 1.00 0.00 C ATOM 659 O LYS A 40 77.528 2.413 -6.412 1.00 0.00 O ATOM 660 CB LYS A 40 79.672 4.181 -8.087 1.00 0.00 C ATOM 661 CG LYS A 40 79.305 5.617 -8.468 1.00 0.00 C ATOM 662 CD LYS A 40 79.939 6.588 -7.468 1.00 0.00 C ATOM 663 CE LYS A 40 81.454 6.625 -7.682 1.00 0.00 C ATOM 664 NZ LYS A 40 81.920 7.829 -6.937 1.00 0.00 N ATOM 0 H LYS A 40 81.470 3.744 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 40 78.637 4.690 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 40 80.731 4.003 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.118 3.476 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.654 5.838 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 40 78.222 5.738 -8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 40 79.518 7.585 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 40 79.713 6.276 -6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.928 5.719 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.701 6.696 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.908 7.694 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.853 8.665 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.324 7.969 -6.096 1.00 0.00 H new ATOM 678 N GLU A 41 79.544 1.614 -6.144 1.00 0.00 N ATOM 679 CA GLU A 41 79.035 0.247 -5.869 1.00 0.00 C ATOM 680 C GLU A 41 77.831 0.332 -4.926 1.00 0.00 C ATOM 681 O GLU A 41 76.942 -0.496 -4.953 1.00 0.00 O ATOM 682 CB GLU A 41 80.201 -0.428 -5.156 1.00 0.00 C ATOM 683 CG GLU A 41 80.739 0.533 -4.088 1.00 0.00 C ATOM 684 CD GLU A 41 81.689 -0.214 -3.154 1.00 0.00 C ATOM 685 OE1 GLU A 41 81.778 -1.425 -3.277 1.00 0.00 O ATOM 686 OE2 GLU A 41 82.315 0.436 -2.333 1.00 0.00 O ATOM 0 H GLU A 41 80.560 1.707 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 41 78.714 -0.285 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.875 -1.361 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.986 -0.681 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 41 81.260 1.365 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.913 0.958 -3.518 1.00 0.00 H new ATOM 693 N ALA A 42 77.808 1.334 -4.086 1.00 0.00 N ATOM 694 CA ALA A 42 76.676 1.487 -3.123 1.00 0.00 C ATOM 695 C ALA A 42 75.543 2.281 -3.769 1.00 0.00 C ATOM 696 O ALA A 42 74.421 2.280 -3.299 1.00 0.00 O ATOM 697 CB ALA A 42 77.265 2.254 -1.939 1.00 0.00 C ATOM 0 H ALA A 42 78.527 2.055 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 42 76.258 0.528 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.493 2.407 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 42 78.086 1.682 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.636 3.220 -2.280 1.00 0.00 H new ATOM 703 N GLU A 43 75.831 2.952 -4.846 1.00 0.00 N ATOM 704 CA GLU A 43 74.782 3.749 -5.544 1.00 0.00 C ATOM 705 C GLU A 43 73.462 3.009 -5.551 1.00 0.00 C ATOM 706 O GLU A 43 72.423 3.541 -5.221 1.00 0.00 O ATOM 707 CB GLU A 43 75.240 3.851 -6.988 1.00 0.00 C ATOM 708 CG GLU A 43 74.250 4.720 -7.765 1.00 0.00 C ATOM 709 CD GLU A 43 74.995 5.884 -8.421 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.518 6.712 -7.693 1.00 0.00 O ATOM 711 OE2 GLU A 43 75.028 5.928 -9.639 1.00 0.00 O ATOM 0 H GLU A 43 76.755 2.984 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 43 74.648 4.713 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 43 76.239 4.284 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.301 2.859 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.745 4.123 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.479 5.100 -7.094 1.00 0.00 H new ATOM 718 N ALA A 44 73.500 1.793 -5.991 1.00 0.00 N ATOM 719 CA ALA A 44 72.255 1.015 -6.099 1.00 0.00 C ATOM 720 C ALA A 44 71.518 0.957 -4.765 1.00 0.00 C ATOM 721 O ALA A 44 70.361 1.314 -4.678 1.00 0.00 O ATOM 722 CB ALA A 44 72.688 -0.380 -6.550 1.00 0.00 C ATOM 0 H ALA A 44 74.346 1.304 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 44 71.559 1.470 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.810 -1.018 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 44 73.199 -0.310 -7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.364 -0.808 -5.810 1.00 0.00 H new ATOM 728 N LYS A 45 72.161 0.512 -3.725 1.00 0.00 N ATOM 729 CA LYS A 45 71.453 0.447 -2.420 1.00 0.00 C ATOM 730 C LYS A 45 70.709 1.758 -2.177 1.00 0.00 C ATOM 731 O LYS A 45 69.730 1.799 -1.466 1.00 0.00 O ATOM 732 CB LYS A 45 72.528 0.243 -1.357 1.00 0.00 C ATOM 733 CG LYS A 45 71.880 0.378 0.024 1.00 0.00 C ATOM 734 CD LYS A 45 72.886 -0.025 1.105 1.00 0.00 C ATOM 735 CE LYS A 45 73.966 1.054 1.229 1.00 0.00 C ATOM 736 NZ LYS A 45 73.417 2.055 2.192 1.00 0.00 N ATOM 0 H LYS A 45 73.131 0.195 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 45 70.723 -0.362 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.986 -0.740 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.323 0.980 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.551 1.405 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.994 -0.254 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 45 72.377 -0.155 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.342 -0.983 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 45 74.903 0.632 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 45 74.176 1.513 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 74.041 2.887 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 72.467 2.346 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.361 1.630 3.140 1.00 0.00 H new ATOM 750 N PHE A 46 71.165 2.832 -2.766 1.00 0.00 N ATOM 751 CA PHE A 46 70.472 4.135 -2.562 1.00 0.00 C ATOM 752 C PHE A 46 69.149 4.151 -3.322 1.00 0.00 C ATOM 753 O PHE A 46 68.122 4.509 -2.780 1.00 0.00 O ATOM 754 CB PHE A 46 71.425 5.197 -3.110 1.00 0.00 C ATOM 755 CG PHE A 46 72.793 5.017 -2.493 1.00 0.00 C ATOM 756 CD1 PHE A 46 72.943 4.299 -1.299 1.00 0.00 C ATOM 757 CD2 PHE A 46 73.912 5.569 -3.121 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.214 4.134 -0.735 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.182 5.405 -2.559 1.00 0.00 C ATOM 760 CZ PHE A 46 75.334 4.688 -1.367 1.00 0.00 C ATOM 0 H PHE A 46 71.982 2.862 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 46 70.238 4.314 -1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.491 5.116 -4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.043 6.193 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.078 3.873 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 46 73.796 6.123 -4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.330 3.581 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.046 5.832 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.315 4.562 -0.934 1.00 0.00 H new ATOM 770 N LYS A 47 69.147 3.747 -4.564 1.00 0.00 N ATOM 771 CA LYS A 47 67.862 3.730 -5.312 1.00 0.00 C ATOM 772 C LYS A 47 67.167 2.400 -5.029 1.00 0.00 C ATOM 773 O LYS A 47 65.959 2.286 -5.082 1.00 0.00 O ATOM 774 CB LYS A 47 68.243 3.909 -6.794 1.00 0.00 C ATOM 775 CG LYS A 47 68.134 2.583 -7.557 1.00 0.00 C ATOM 776 CD LYS A 47 69.264 1.652 -7.126 1.00 0.00 C ATOM 777 CE LYS A 47 69.952 1.084 -8.371 1.00 0.00 C ATOM 778 NZ LYS A 47 68.849 0.509 -9.188 1.00 0.00 N ATOM 0 H LYS A 47 69.966 3.433 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 47 67.167 4.518 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.590 4.651 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.261 4.291 -6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.169 2.116 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.187 2.764 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.984 2.194 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.870 0.842 -6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.485 1.862 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.685 0.323 -8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 69.197 -0.325 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 68.065 0.230 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.514 1.220 -9.869 1.00 0.00 H new ATOM 792 N GLU A 48 67.935 1.403 -4.687 1.00 0.00 N ATOM 793 CA GLU A 48 67.338 0.089 -4.350 1.00 0.00 C ATOM 794 C GLU A 48 66.241 0.355 -3.343 1.00 0.00 C ATOM 795 O GLU A 48 65.199 -0.270 -3.327 1.00 0.00 O ATOM 796 CB GLU A 48 68.475 -0.691 -3.699 1.00 0.00 C ATOM 797 CG GLU A 48 69.337 -1.338 -4.779 1.00 0.00 C ATOM 798 CD GLU A 48 68.589 -2.526 -5.388 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.449 -2.739 -5.009 1.00 0.00 O ATOM 800 OE2 GLU A 48 69.168 -3.202 -6.221 1.00 0.00 O ATOM 0 H GLU A 48 68.952 1.446 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 48 66.922 -0.452 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.082 -0.025 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.071 -1.456 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.575 -0.609 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.283 -1.671 -4.353 1.00 0.00 H new ATOM 807 N ILE A 49 66.489 1.323 -2.519 1.00 0.00 N ATOM 808 CA ILE A 49 65.496 1.723 -1.497 1.00 0.00 C ATOM 809 C ILE A 49 64.264 2.262 -2.205 1.00 0.00 C ATOM 810 O ILE A 49 63.139 1.951 -1.867 1.00 0.00 O ATOM 811 CB ILE A 49 66.185 2.835 -0.718 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.433 2.265 -0.053 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.235 3.386 0.343 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.487 3.363 0.106 1.00 0.00 C ATOM 0 H ILE A 49 67.354 1.864 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 49 65.182 0.905 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 49 66.464 3.645 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.178 1.850 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.834 1.448 -0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 49 65.732 4.182 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.342 3.783 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.952 2.587 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.376 2.948 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.752 3.758 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.086 4.166 0.724 1.00 0.00 H new ATOM 826 N LYS A 50 64.488 3.065 -3.204 1.00 0.00 N ATOM 827 CA LYS A 50 63.348 3.635 -3.975 1.00 0.00 C ATOM 828 C LYS A 50 62.447 2.496 -4.458 1.00 0.00 C ATOM 829 O LYS A 50 61.241 2.627 -4.520 1.00 0.00 O ATOM 830 CB LYS A 50 63.991 4.354 -5.161 1.00 0.00 C ATOM 831 CG LYS A 50 63.058 5.461 -5.657 1.00 0.00 C ATOM 832 CD LYS A 50 63.352 5.755 -7.130 1.00 0.00 C ATOM 833 CE LYS A 50 62.036 5.912 -7.895 1.00 0.00 C ATOM 834 NZ LYS A 50 61.945 7.364 -8.214 1.00 0.00 N ATOM 0 H LYS A 50 65.413 3.353 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 50 62.732 4.312 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.950 4.778 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.190 3.645 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.018 5.156 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.197 6.363 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.946 6.665 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.941 4.946 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.033 5.308 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.188 5.587 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 61.067 7.550 -8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 61.943 7.914 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.761 7.644 -8.794 1.00 0.00 H new ATOM 848 N GLU A 51 63.030 1.377 -4.790 1.00 0.00 N ATOM 849 CA GLU A 51 62.218 0.218 -5.259 1.00 0.00 C ATOM 850 C GLU A 51 61.240 -0.204 -4.162 1.00 0.00 C ATOM 851 O GLU A 51 60.113 -0.571 -4.427 1.00 0.00 O ATOM 852 CB GLU A 51 63.233 -0.892 -5.524 1.00 0.00 C ATOM 853 CG GLU A 51 62.632 -1.914 -6.491 1.00 0.00 C ATOM 854 CD GLU A 51 63.701 -2.938 -6.880 1.00 0.00 C ATOM 855 OE1 GLU A 51 64.814 -2.815 -6.396 1.00 0.00 O ATOM 856 OE2 GLU A 51 63.387 -3.827 -7.655 1.00 0.00 O ATOM 0 H GLU A 51 64.036 1.215 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 51 61.629 0.451 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.146 -0.471 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.508 -1.379 -4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 51 61.784 -2.416 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 62.255 -1.410 -7.381 1.00 0.00 H new ATOM 863 N ALA A 52 61.663 -0.144 -2.928 1.00 0.00 N ATOM 864 CA ALA A 52 60.757 -0.528 -1.809 1.00 0.00 C ATOM 865 C ALA A 52 59.370 0.057 -2.058 1.00 0.00 C ATOM 866 O ALA A 52 58.365 -0.521 -1.696 1.00 0.00 O ATOM 867 CB ALA A 52 61.395 0.091 -0.565 1.00 0.00 C ATOM 0 H ALA A 52 62.597 0.154 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 52 60.637 -1.606 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.789 -0.144 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.398 -0.314 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.453 1.173 -0.686 1.00 0.00 H new ATOM 873 N TYR A 53 59.309 1.196 -2.689 1.00 0.00 N ATOM 874 CA TYR A 53 57.988 1.818 -2.977 1.00 0.00 C ATOM 875 C TYR A 53 57.173 0.874 -3.850 1.00 0.00 C ATOM 876 O TYR A 53 55.978 0.743 -3.695 1.00 0.00 O ATOM 877 CB TYR A 53 58.313 3.122 -3.714 1.00 0.00 C ATOM 878 CG TYR A 53 59.236 3.979 -2.869 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.580 3.587 -1.566 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.753 5.168 -3.394 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.436 4.379 -0.798 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.610 5.960 -2.622 1.00 0.00 C ATOM 883 CZ TYR A 53 60.954 5.565 -1.325 1.00 0.00 C ATOM 884 OH TYR A 53 61.802 6.348 -0.566 1.00 0.00 O ATOM 0 H TYR A 53 60.118 1.723 -3.018 1.00 0.00 H new ATOM 0 HA TYR A 53 57.400 2.013 -2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.784 2.900 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.394 3.666 -3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.182 2.671 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.491 5.475 -4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 53 60.698 4.075 0.205 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.007 6.879 -3.029 1.00 0.00 H new ATOM 0 HH TYR A 53 62.531 6.681 -1.129 1.00 0.00 H new ATOM 894 N GLU A 54 57.815 0.170 -4.737 1.00 0.00 N ATOM 895 CA GLU A 54 57.057 -0.795 -5.573 1.00 0.00 C ATOM 896 C GLU A 54 56.424 -1.812 -4.644 1.00 0.00 C ATOM 897 O GLU A 54 55.531 -2.546 -5.016 1.00 0.00 O ATOM 898 CB GLU A 54 58.083 -1.482 -6.475 1.00 0.00 C ATOM 899 CG GLU A 54 59.081 -0.456 -6.994 1.00 0.00 C ATOM 900 CD GLU A 54 59.240 -0.610 -8.509 1.00 0.00 C ATOM 901 OE1 GLU A 54 59.977 -1.492 -8.921 1.00 0.00 O ATOM 902 OE2 GLU A 54 58.622 0.156 -9.231 1.00 0.00 O ATOM 0 H GLU A 54 58.818 0.220 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 54 56.280 -0.317 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.604 -2.262 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.579 -1.968 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.739 0.551 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 54 60.044 -0.591 -6.502 1.00 0.00 H new ATOM 909 N VAL A 55 56.899 -1.869 -3.429 1.00 0.00 N ATOM 910 CA VAL A 55 56.343 -2.847 -2.479 1.00 0.00 C ATOM 911 C VAL A 55 55.391 -2.160 -1.474 1.00 0.00 C ATOM 912 O VAL A 55 54.263 -2.562 -1.300 1.00 0.00 O ATOM 913 CB VAL A 55 57.571 -3.453 -1.776 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.498 -3.238 -0.263 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.620 -4.952 -2.061 1.00 0.00 C ATOM 0 H VAL A 55 57.646 -1.278 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 55 55.744 -3.612 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 55 58.466 -2.960 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.377 -3.676 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.464 -2.170 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.600 -3.715 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.488 -5.388 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.712 -5.424 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.695 -5.116 -3.136 1.00 0.00 H new ATOM 925 N LEU A 56 55.848 -1.165 -0.758 1.00 0.00 N ATOM 926 CA LEU A 56 54.937 -0.546 0.257 1.00 0.00 C ATOM 927 C LEU A 56 54.082 0.610 -0.291 1.00 0.00 C ATOM 928 O LEU A 56 53.108 0.986 0.330 1.00 0.00 O ATOM 929 CB LEU A 56 55.823 -0.129 1.448 1.00 0.00 C ATOM 930 CG LEU A 56 56.488 1.235 1.270 1.00 0.00 C ATOM 931 CD1 LEU A 56 57.249 1.272 -0.039 1.00 0.00 C ATOM 932 CD2 LEU A 56 55.439 2.349 1.310 1.00 0.00 C ATOM 0 H LEU A 56 56.783 -0.762 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 56 54.187 -1.273 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.216 -0.112 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.595 -0.883 1.597 1.00 0.00 H new ATOM 0 HG LEU A 56 57.189 1.394 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.720 2.248 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 56 58.015 0.497 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.560 1.098 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 56 55.928 3.314 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 56 54.718 2.198 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 56 54.923 2.328 2.270 1.00 0.00 H new ATOM 944 N THR A 57 54.388 1.179 -1.426 1.00 0.00 N ATOM 945 CA THR A 57 53.509 2.287 -1.915 1.00 0.00 C ATOM 946 C THR A 57 52.426 1.718 -2.838 1.00 0.00 C ATOM 947 O THR A 57 52.001 2.353 -3.783 1.00 0.00 O ATOM 948 CB THR A 57 54.410 3.276 -2.668 1.00 0.00 C ATOM 949 OG1 THR A 57 54.845 2.698 -3.890 1.00 0.00 O ATOM 950 CG2 THR A 57 55.616 3.646 -1.796 1.00 0.00 C ATOM 0 H THR A 57 55.181 0.938 -2.021 1.00 0.00 H new ATOM 0 HA THR A 57 53.005 2.791 -1.090 1.00 0.00 H new ATOM 0 HB THR A 57 53.845 4.181 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.134 1.775 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.253 4.348 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.269 4.107 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.185 2.746 -1.562 1.00 0.00 H new ATOM 958 N ASP A 58 51.972 0.522 -2.561 1.00 0.00 N ATOM 959 CA ASP A 58 50.909 -0.099 -3.407 1.00 0.00 C ATOM 960 C ASP A 58 50.070 -1.041 -2.569 1.00 0.00 C ATOM 961 O ASP A 58 50.548 -2.019 -2.032 1.00 0.00 O ATOM 962 CB ASP A 58 51.651 -0.854 -4.508 1.00 0.00 C ATOM 963 CG ASP A 58 51.259 -0.288 -5.875 1.00 0.00 C ATOM 964 OD1 ASP A 58 51.814 0.730 -6.254 1.00 0.00 O ATOM 965 OD2 ASP A 58 50.412 -0.884 -6.520 1.00 0.00 O ATOM 0 H ASP A 58 52.293 -0.053 -1.782 1.00 0.00 H new ATOM 0 HA ASP A 58 50.229 0.641 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.727 -0.765 -4.362 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.410 -1.916 -4.460 1.00 0.00 H new ATOM 970 N SER A 59 48.819 -0.722 -2.443 1.00 0.00 N ATOM 971 CA SER A 59 47.918 -1.552 -1.621 1.00 0.00 C ATOM 972 C SER A 59 48.208 -3.043 -1.813 1.00 0.00 C ATOM 973 O SER A 59 48.325 -3.787 -0.860 1.00 0.00 O ATOM 974 CB SER A 59 46.507 -1.207 -2.095 1.00 0.00 C ATOM 975 OG SER A 59 46.075 -0.016 -1.451 1.00 0.00 O ATOM 0 H SER A 59 48.380 0.088 -2.881 1.00 0.00 H new ATOM 0 HA SER A 59 48.050 -1.353 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.496 -1.074 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 59 45.824 -2.026 -1.868 1.00 0.00 H new ATOM 0 HG SER A 59 45.171 0.210 -1.754 1.00 0.00 H new ATOM 981 N GLN A 60 48.325 -3.486 -3.031 1.00 0.00 N ATOM 982 CA GLN A 60 48.606 -4.933 -3.266 1.00 0.00 C ATOM 983 C GLN A 60 50.036 -5.261 -2.830 1.00 0.00 C ATOM 984 O GLN A 60 50.326 -6.341 -2.358 1.00 0.00 O ATOM 985 CB GLN A 60 48.437 -5.133 -4.776 1.00 0.00 C ATOM 986 CG GLN A 60 49.662 -4.586 -5.513 1.00 0.00 C ATOM 987 CD GLN A 60 49.364 -4.510 -7.011 1.00 0.00 C ATOM 988 OE1 GLN A 60 49.244 -3.436 -7.564 1.00 0.00 O ATOM 989 NE2 GLN A 60 49.236 -5.615 -7.694 1.00 0.00 N ATOM 0 H GLN A 60 48.239 -2.915 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 60 47.942 -5.585 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 60 48.310 -6.192 -5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 60 47.537 -4.624 -5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 60 49.918 -3.597 -5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 60 50.524 -5.229 -5.335 1.00 0.00 H new ATOM 0 HE21 GLN A 60 49.337 -6.517 -7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 60 49.035 -5.577 -8.693 1.00 0.00 H new ATOM 998 N LYS A 61 50.928 -4.326 -2.990 1.00 0.00 N ATOM 999 CA LYS A 61 52.347 -4.549 -2.596 1.00 0.00 C ATOM 1000 C LYS A 61 52.516 -4.431 -1.082 1.00 0.00 C ATOM 1001 O LYS A 61 53.257 -5.178 -0.475 1.00 0.00 O ATOM 1002 CB LYS A 61 53.110 -3.453 -3.329 1.00 0.00 C ATOM 1003 CG LYS A 61 52.932 -3.616 -4.837 1.00 0.00 C ATOM 1004 CD LYS A 61 53.485 -4.975 -5.271 1.00 0.00 C ATOM 1005 CE LYS A 61 53.708 -4.978 -6.784 1.00 0.00 C ATOM 1006 NZ LYS A 61 54.395 -6.267 -7.068 1.00 0.00 N ATOM 0 H LYS A 61 50.733 -3.405 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 61 52.706 -5.545 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 61 52.749 -2.474 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.168 -3.500 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 61 51.877 -3.540 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 61 53.451 -2.815 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 61 54.423 -5.179 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.790 -5.767 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 61 52.763 -4.907 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 61 54.317 -4.129 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 54.582 -6.343 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 55.294 -6.303 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 53.789 -7.057 -6.768 1.00 0.00 H new ATOM 1020 N ARG A 62 51.841 -3.511 -0.462 1.00 0.00 N ATOM 1021 CA ARG A 62 51.978 -3.370 1.015 1.00 0.00 C ATOM 1022 C ARG A 62 51.086 -4.390 1.719 1.00 0.00 C ATOM 1023 O ARG A 62 51.250 -4.677 2.888 1.00 0.00 O ATOM 1024 CB ARG A 62 51.501 -1.955 1.321 1.00 0.00 C ATOM 1025 CG ARG A 62 50.014 -1.854 0.983 1.00 0.00 C ATOM 1026 CD ARG A 62 49.413 -0.614 1.650 1.00 0.00 C ATOM 1027 NE ARG A 62 49.151 -1.019 3.061 1.00 0.00 N ATOM 1028 CZ ARG A 62 47.990 -1.511 3.397 1.00 0.00 C ATOM 1029 NH1 ARG A 62 46.976 -0.714 3.595 1.00 0.00 N ATOM 1030 NH2 ARG A 62 47.843 -2.800 3.540 1.00 0.00 N ATOM 0 H ARG A 62 51.203 -2.852 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 62 52.999 -3.541 1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.666 -1.720 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.071 -1.230 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 62 49.880 -1.798 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.493 -2.749 1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.100 0.231 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 62 48.494 -0.305 1.152 1.00 0.00 H new ATOM 0 HE ARG A 62 49.881 -0.911 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 62 47.091 0.294 3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 62 46.069 -1.099 3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 62 48.636 -3.424 3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 62 46.935 -3.184 3.803 1.00 0.00 H new ATOM 1044 N ALA A 63 50.147 -4.939 1.009 1.00 0.00 N ATOM 1045 CA ALA A 63 49.237 -5.948 1.621 1.00 0.00 C ATOM 1046 C ALA A 63 49.867 -7.328 1.484 1.00 0.00 C ATOM 1047 O ALA A 63 49.562 -8.247 2.216 1.00 0.00 O ATOM 1048 CB ALA A 63 47.936 -5.861 0.824 1.00 0.00 C ATOM 0 H ALA A 63 49.967 -4.734 0.026 1.00 0.00 H new ATOM 0 HA ALA A 63 49.058 -5.770 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.218 -6.578 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.526 -4.854 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.135 -6.088 -0.223 1.00 0.00 H new ATOM 1054 N ALA A 64 50.758 -7.470 0.549 1.00 0.00 N ATOM 1055 CA ALA A 64 51.434 -8.776 0.354 1.00 0.00 C ATOM 1056 C ALA A 64 52.461 -8.982 1.466 1.00 0.00 C ATOM 1057 O ALA A 64 52.651 -10.074 1.962 1.00 0.00 O ATOM 1058 CB ALA A 64 52.124 -8.646 -1.002 1.00 0.00 C ATOM 0 H ALA A 64 51.049 -6.732 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 64 50.751 -9.625 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 64 52.653 -9.571 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 64 51.378 -8.454 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.834 -7.820 -0.971 1.00 0.00 H new ATOM 1064 N TYR A 65 53.124 -7.929 1.859 1.00 0.00 N ATOM 1065 CA TYR A 65 54.139 -8.045 2.937 1.00 0.00 C ATOM 1066 C TYR A 65 53.465 -8.064 4.312 1.00 0.00 C ATOM 1067 O TYR A 65 53.766 -8.892 5.150 1.00 0.00 O ATOM 1068 CB TYR A 65 54.996 -6.794 2.774 1.00 0.00 C ATOM 1069 CG TYR A 65 56.410 -7.211 2.449 1.00 0.00 C ATOM 1070 CD1 TYR A 65 56.664 -8.003 1.324 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.466 -6.812 3.276 1.00 0.00 C ATOM 1072 CE1 TYR A 65 57.973 -8.399 1.027 1.00 0.00 C ATOM 1073 CE2 TYR A 65 58.776 -7.205 2.979 1.00 0.00 C ATOM 1074 CZ TYR A 65 59.030 -7.999 1.854 1.00 0.00 C ATOM 1075 OH TYR A 65 60.320 -8.390 1.562 1.00 0.00 O ATOM 0 H TYR A 65 53.004 -6.991 1.477 1.00 0.00 H new ATOM 0 HA TYR A 65 54.721 -8.964 2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.596 -6.164 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 65 54.978 -6.202 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 65 55.849 -8.309 0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 65 57.270 -6.200 4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 65 58.168 -9.013 0.160 1.00 0.00 H new ATOM 0 HE2 TYR A 65 59.591 -6.896 3.617 1.00 0.00 H new ATOM 0 HH TYR A 65 60.661 -7.858 0.813 1.00 0.00 H new ATOM 1085 N ASP A 66 52.561 -7.156 4.552 1.00 0.00 N ATOM 1086 CA ASP A 66 51.871 -7.116 5.874 1.00 0.00 C ATOM 1087 C ASP A 66 51.208 -8.467 6.179 1.00 0.00 C ATOM 1088 O ASP A 66 50.840 -8.747 7.302 1.00 0.00 O ATOM 1089 CB ASP A 66 50.827 -5.996 5.743 1.00 0.00 C ATOM 1090 CG ASP A 66 49.540 -6.531 5.109 1.00 0.00 C ATOM 1091 OD1 ASP A 66 49.614 -7.527 4.413 1.00 0.00 O ATOM 1092 OD2 ASP A 66 48.501 -5.932 5.333 1.00 0.00 O ATOM 0 H ASP A 66 52.269 -6.438 3.889 1.00 0.00 H new ATOM 0 HA ASP A 66 52.561 -6.927 6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 66 50.608 -5.578 6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 66 51.229 -5.186 5.135 1.00 0.00 H new ATOM 1097 N GLN A 67 51.056 -9.306 5.190 1.00 0.00 N ATOM 1098 CA GLN A 67 50.424 -10.631 5.430 1.00 0.00 C ATOM 1099 C GLN A 67 51.505 -11.703 5.568 1.00 0.00 C ATOM 1100 O GLN A 67 51.217 -12.870 5.744 1.00 0.00 O ATOM 1101 CB GLN A 67 49.556 -10.887 4.198 1.00 0.00 C ATOM 1102 CG GLN A 67 48.277 -10.052 4.295 1.00 0.00 C ATOM 1103 CD GLN A 67 47.075 -10.906 3.890 1.00 0.00 C ATOM 1104 OE1 GLN A 67 46.029 -10.833 4.504 1.00 0.00 O ATOM 1105 NE2 GLN A 67 47.180 -11.718 2.874 1.00 0.00 N ATOM 0 H GLN A 67 51.343 -9.129 4.227 1.00 0.00 H new ATOM 0 HA GLN A 67 49.834 -10.654 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 67 50.105 -10.628 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 67 49.308 -11.946 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 67 48.148 -9.683 5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 67 48.351 -9.179 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 67 48.058 -11.779 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 67 46.384 -12.292 2.595 1.00 0.00 H new ATOM 1114 N TYR A 68 52.751 -11.311 5.498 1.00 0.00 N ATOM 1115 CA TYR A 68 53.852 -12.305 5.639 1.00 0.00 C ATOM 1116 C TYR A 68 53.682 -13.434 4.621 1.00 0.00 C ATOM 1117 O TYR A 68 54.034 -14.569 4.874 1.00 0.00 O ATOM 1118 CB TYR A 68 53.692 -12.836 7.060 1.00 0.00 C ATOM 1119 CG TYR A 68 54.237 -11.826 8.041 1.00 0.00 C ATOM 1120 CD1 TYR A 68 53.476 -10.698 8.376 1.00 0.00 C ATOM 1121 CD2 TYR A 68 55.498 -12.015 8.618 1.00 0.00 C ATOM 1122 CE1 TYR A 68 53.976 -9.762 9.288 1.00 0.00 C ATOM 1123 CE2 TYR A 68 55.999 -11.078 9.530 1.00 0.00 C ATOM 1124 CZ TYR A 68 55.238 -9.951 9.865 1.00 0.00 C ATOM 1125 OH TYR A 68 55.731 -9.028 10.765 1.00 0.00 O ATOM 0 H TYR A 68 53.051 -10.348 5.350 1.00 0.00 H new ATOM 0 HA TYR A 68 54.837 -11.873 5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 68 52.640 -13.032 7.270 1.00 0.00 H new ATOM 0 HB3 TYR A 68 54.220 -13.784 7.167 1.00 0.00 H new ATOM 0 HD1 TYR A 68 52.503 -10.551 7.930 1.00 0.00 H new ATOM 0 HD2 TYR A 68 56.085 -12.884 8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 68 53.389 -8.894 9.547 1.00 0.00 H new ATOM 0 HE2 TYR A 68 56.972 -11.224 9.975 1.00 0.00 H new ATOM 0 HH TYR A 68 56.045 -9.491 11.569 1.00 0.00 H new ATOM 1135 N GLY A 69 53.137 -13.133 3.475 1.00 0.00 N ATOM 1136 CA GLY A 69 52.936 -14.190 2.447 1.00 0.00 C ATOM 1137 C GLY A 69 51.483 -14.655 2.493 1.00 0.00 C ATOM 1138 O GLY A 69 50.756 -14.349 3.417 1.00 0.00 O ATOM 0 H GLY A 69 52.822 -12.201 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 69 53.177 -13.803 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 69 53.606 -15.029 2.633 1.00 0.00 H new ATOM 1142 N HIS A 70 51.049 -15.389 1.509 1.00 0.00 N ATOM 1143 CA HIS A 70 49.638 -15.862 1.511 1.00 0.00 C ATOM 1144 C HIS A 70 49.477 -17.044 2.472 1.00 0.00 C ATOM 1145 O HIS A 70 48.417 -17.626 2.583 1.00 0.00 O ATOM 1146 CB HIS A 70 49.363 -16.297 0.071 1.00 0.00 C ATOM 1147 CG HIS A 70 50.304 -17.410 -0.301 1.00 0.00 C ATOM 1148 ND1 HIS A 70 51.422 -17.199 -1.092 1.00 0.00 N ATOM 1149 CD2 HIS A 70 50.309 -18.748 0.007 1.00 0.00 C ATOM 1150 CE1 HIS A 70 52.048 -18.382 -1.233 1.00 0.00 C ATOM 1151 NE2 HIS A 70 51.412 -19.359 -0.582 1.00 0.00 N ATOM 0 H HIS A 70 51.607 -15.681 0.707 1.00 0.00 H new ATOM 0 HA HIS A 70 48.944 -15.089 1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 70 48.330 -16.630 -0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 70 49.493 -15.453 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 70 49.570 -19.250 0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 70 52.954 -18.524 -1.803 1.00 0.00 H new ATOM 0 HE2 HIS A 70 51.678 -20.342 -0.528 1.00 0.00 H new ATOM 1159 N ALA A 71 50.520 -17.398 3.171 1.00 0.00 N ATOM 1160 CA ALA A 71 50.424 -18.537 4.128 1.00 0.00 C ATOM 1161 C ALA A 71 49.537 -18.147 5.311 1.00 0.00 C ATOM 1162 O ALA A 71 48.748 -18.933 5.794 1.00 0.00 O ATOM 1163 CB ALA A 71 51.858 -18.790 4.591 1.00 0.00 C ATOM 0 H ALA A 71 51.434 -16.948 3.121 1.00 0.00 H new ATOM 0 HA ALA A 71 49.984 -19.426 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 71 51.871 -19.617 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 71 52.479 -19.040 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 71 52.248 -17.893 5.072 1.00 0.00 H new ATOM 1169 N ALA A 72 49.658 -16.935 5.778 1.00 0.00 N ATOM 1170 CA ALA A 72 48.817 -16.495 6.925 1.00 0.00 C ATOM 1171 C ALA A 72 47.345 -16.803 6.641 1.00 0.00 C ATOM 1172 O ALA A 72 46.533 -16.890 7.541 1.00 0.00 O ATOM 1173 CB ALA A 72 49.040 -14.986 7.028 1.00 0.00 C ATOM 0 H ALA A 72 50.302 -16.232 5.415 1.00 0.00 H new ATOM 0 HA ALA A 72 49.079 -17.006 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 72 48.451 -14.587 7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 72 50.097 -14.786 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 72 48.731 -14.508 6.098 1.00 0.00 H new ATOM 1179 N PHE A 73 46.995 -16.967 5.394 1.00 0.00 N ATOM 1180 CA PHE A 73 45.576 -17.268 5.051 1.00 0.00 C ATOM 1181 C PHE A 73 45.489 -18.549 4.214 1.00 0.00 C ATOM 1182 O PHE A 73 44.488 -18.821 3.581 1.00 0.00 O ATOM 1183 CB PHE A 73 45.100 -16.064 4.240 1.00 0.00 C ATOM 1184 CG PHE A 73 44.249 -15.173 5.114 1.00 0.00 C ATOM 1185 CD1 PHE A 73 42.914 -15.508 5.368 1.00 0.00 C ATOM 1186 CD2 PHE A 73 44.798 -14.012 5.671 1.00 0.00 C ATOM 1187 CE1 PHE A 73 42.127 -14.682 6.179 1.00 0.00 C ATOM 1188 CE2 PHE A 73 44.010 -13.185 6.482 1.00 0.00 C ATOM 1189 CZ PHE A 73 42.676 -13.521 6.736 1.00 0.00 C ATOM 0 H PHE A 73 47.630 -16.906 4.598 1.00 0.00 H new ATOM 0 HA PHE A 73 44.964 -17.430 5.939 1.00 0.00 H new ATOM 0 HB2 PHE A 73 45.956 -15.507 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 73 44.527 -16.398 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 73 42.491 -16.404 4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 73 45.828 -13.754 5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 73 41.097 -14.940 6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 73 44.432 -12.288 6.911 1.00 0.00 H new ATOM 0 HZ PHE A 73 42.069 -12.884 7.362 1.00 0.00 H new ATOM 1199 N GLU A 74 46.529 -19.339 4.210 1.00 0.00 N ATOM 1200 CA GLU A 74 46.503 -20.602 3.417 1.00 0.00 C ATOM 1201 C GLU A 74 46.213 -20.301 1.945 1.00 0.00 C ATOM 1202 O GLU A 74 46.416 -19.199 1.475 1.00 0.00 O ATOM 1203 CB GLU A 74 45.372 -21.429 4.029 1.00 0.00 C ATOM 1204 CG GLU A 74 45.547 -21.488 5.548 1.00 0.00 C ATOM 1205 CD GLU A 74 46.906 -22.108 5.882 1.00 0.00 C ATOM 1206 OE1 GLU A 74 47.907 -21.452 5.650 1.00 0.00 O ATOM 1207 OE2 GLU A 74 46.921 -23.228 6.366 1.00 0.00 O ATOM 0 H GLU A 74 47.394 -19.165 4.721 1.00 0.00 H new ATOM 0 HA GLU A 74 47.457 -21.128 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 74 44.408 -20.986 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 74 45.377 -22.436 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 74 45.479 -20.486 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 74 44.747 -22.078 5.994 1.00 0.00 H new ATOM 1214 N GLN A 75 45.740 -21.272 1.212 1.00 0.00 N ATOM 1215 CA GLN A 75 45.438 -21.040 -0.230 1.00 0.00 C ATOM 1216 C GLN A 75 43.936 -20.814 -0.425 1.00 0.00 C ATOM 1217 O GLN A 75 43.384 -21.114 -1.465 1.00 0.00 O ATOM 1218 CB GLN A 75 45.886 -22.315 -0.943 1.00 0.00 C ATOM 1219 CG GLN A 75 47.414 -22.362 -0.996 1.00 0.00 C ATOM 1220 CD GLN A 75 47.893 -21.842 -2.352 1.00 0.00 C ATOM 1221 OE1 GLN A 75 47.119 -21.299 -3.116 1.00 0.00 O ATOM 1222 NE2 GLN A 75 49.146 -21.984 -2.686 1.00 0.00 N ATOM 0 H GLN A 75 45.550 -22.216 1.549 1.00 0.00 H new ATOM 0 HA GLN A 75 45.946 -20.158 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 75 45.503 -23.191 -0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 75 45.476 -22.343 -1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 75 47.835 -21.757 -0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 75 47.763 -23.383 -0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 75 49.796 -22.440 -2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 75 49.476 -21.639 -3.588 1.00 0.00 H new ATOM 1231 N GLY A 76 43.272 -20.290 0.568 1.00 0.00 N ATOM 1232 CA GLY A 76 41.808 -20.047 0.440 1.00 0.00 C ATOM 1233 C GLY A 76 41.041 -21.285 0.907 1.00 0.00 C ATOM 1234 O GLY A 76 41.424 -22.405 0.633 1.00 0.00 O ATOM 0 H GLY A 76 43.680 -20.020 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 76 41.519 -19.181 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 76 41.556 -19.819 -0.596 1.00 0.00 H new ATOM 1238 N GLY A 77 39.959 -21.093 1.613 1.00 0.00 N ATOM 1239 CA GLY A 77 39.170 -22.261 2.098 1.00 0.00 C ATOM 1240 C GLY A 77 39.126 -22.249 3.626 1.00 0.00 C ATOM 1241 O GLY A 77 38.567 -23.175 4.191 1.00 0.00 O ATOM 1242 OXT GLY A 77 39.651 -21.313 4.206 1.00 0.00 O ATOM 0 H GLY A 77 39.588 -20.179 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 77 38.158 -22.222 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 77 39.619 -23.189 1.744 1.00 0.00 H new TER 1246 GLY A 77