USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 76 GLN : amide:sc= -4.43! C(o=-4.3!,f=-5.2!) USER MOD Set 1.2: A 77 THR OG1 : rot -36:sc= 0.0818 USER MOD Set 2.1: A 23 HIS : no HE2:sc= -6.11! C(o=-6.1!,f=-12!) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.601 K(o=-0.6,f=-3.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -44:sc= 0.0634 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 100:sc= -1.21 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 140:sc= -1.7! USER MOD Single : A 43 THR OG1 : rot 128:sc= -0.864 USER MOD Single : A 49 MET CE :methyl 135:sc= -2.73! (180deg=-4.84!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.94! C(o=-3.9!,f=-9.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -154:sc= -0.101 (180deg=-0.29) USER MOD Single : A 62 SER OG : rot 26:sc= 0.743 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.032) USER MOD Single : A 83 MET CE :methyl 162:sc= -4.05! (180deg=-5.42!) USER MOD Single : A 86 ASN : amide:sc= -0.0479 K(o=-0.048,f=-0.84) USER MOD Single : A 92 HIS : no HD1:sc= -2.55! K(o=-2.5!,f=-0.49) USER MOD Single : A 95 GLN : amide:sc= -1.1 K(o=-1.1,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.569 0.164 -0.966 1.00 0.00 C ATOM 4 O GLU A 21 4.151 -0.611 -0.209 1.00 0.00 O ATOM 5 CB GLU A 21 1.568 1.094 -2.188 1.00 0.00 C ATOM 6 CG GLU A 21 0.061 0.967 -2.419 1.00 0.00 C ATOM 7 CD GLU A 21 -0.722 1.406 -1.179 1.00 0.00 C ATOM 8 OE1 GLU A 21 -0.529 2.530 -0.691 1.00 0.00 O ATOM 9 OE2 GLU A 21 -1.556 0.534 -0.724 1.00 0.00 O ATOM 0 HA GLU A 21 1.919 -0.959 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.794 2.074 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.092 1.028 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.232 1.577 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.187 -0.066 -2.664 1.00 0.00 H new ATOM 17 N THR A 22 4.147 1.178 -1.592 1.00 0.00 N ATOM 18 CA THR A 22 5.564 1.454 -1.421 1.00 0.00 C ATOM 19 C THR A 22 5.867 2.915 -1.756 1.00 0.00 C ATOM 20 O THR A 22 5.361 3.448 -2.743 1.00 0.00 O ATOM 21 CB THR A 22 6.346 0.458 -2.279 1.00 0.00 C ATOM 22 OG1 THR A 22 7.585 0.306 -1.592 1.00 0.00 O ATOM 23 CG2 THR A 22 6.743 1.042 -3.637 1.00 0.00 C ATOM 0 H THR A 22 3.660 1.819 -2.219 1.00 0.00 H new ATOM 0 HA THR A 22 5.871 1.322 -0.383 1.00 0.00 H new ATOM 0 HB THR A 22 5.747 -0.440 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.154 -0.326 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.296 0.295 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.846 1.327 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.370 1.920 -3.486 1.00 0.00 H new ATOM 31 N HIS A 23 6.691 3.523 -0.915 1.00 0.00 N ATOM 32 CA HIS A 23 7.068 4.913 -1.110 1.00 0.00 C ATOM 33 C HIS A 23 8.156 5.004 -2.181 1.00 0.00 C ATOM 34 O HIS A 23 9.230 4.424 -2.031 1.00 0.00 O ATOM 35 CB HIS A 23 7.485 5.554 0.216 1.00 0.00 C ATOM 36 CG HIS A 23 8.297 6.817 0.058 1.00 0.00 C ATOM 37 ND1 HIS A 23 8.323 7.550 -1.115 1.00 0.00 N ATOM 38 CD2 HIS A 23 9.110 7.469 0.938 1.00 0.00 C ATOM 39 CE1 HIS A 23 9.120 8.594 -0.939 1.00 0.00 C ATOM 40 NE2 HIS A 23 9.607 8.542 0.334 1.00 0.00 N ATOM 0 H HIS A 23 7.108 3.079 -0.097 1.00 0.00 H new ATOM 0 HA HIS A 23 6.208 5.480 -1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.590 5.780 0.796 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.064 4.831 0.791 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.815 7.325 -1.970 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.315 7.164 1.954 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.344 9.353 -1.674 1.00 0.00 H new ATOM 48 N ILE A 24 7.841 5.738 -3.238 1.00 0.00 N ATOM 49 CA ILE A 24 8.778 5.913 -4.334 1.00 0.00 C ATOM 50 C ILE A 24 8.482 7.234 -5.047 1.00 0.00 C ATOM 51 O ILE A 24 7.570 7.962 -4.659 1.00 0.00 O ATOM 52 CB ILE A 24 8.753 4.695 -5.261 1.00 0.00 C ATOM 53 CG1 ILE A 24 7.496 4.696 -6.133 1.00 0.00 C ATOM 54 CG2 ILE A 24 8.898 3.397 -4.464 1.00 0.00 C ATOM 55 CD1 ILE A 24 7.580 3.619 -7.217 1.00 0.00 C ATOM 0 H ILE A 24 6.949 6.219 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 24 9.798 5.976 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 24 9.610 4.758 -5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.618 4.523 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.371 5.675 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.877 2.547 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.845 3.406 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.076 3.312 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.674 3.641 -7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.446 3.808 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.680 2.639 -6.750 1.00 0.00 H new ATOM 67 N ASN A 25 9.271 7.504 -6.077 1.00 0.00 N ATOM 68 CA ASN A 25 9.105 8.724 -6.847 1.00 0.00 C ATOM 69 C ASN A 25 8.275 8.425 -8.097 1.00 0.00 C ATOM 70 O ASN A 25 8.027 7.264 -8.418 1.00 0.00 O ATOM 71 CB ASN A 25 10.458 9.279 -7.299 1.00 0.00 C ATOM 72 CG ASN A 25 11.063 8.412 -8.405 1.00 0.00 C ATOM 73 OD1 ASN A 25 10.719 7.254 -8.581 1.00 0.00 O ATOM 74 ND2 ASN A 25 11.982 9.034 -9.138 1.00 0.00 N ATOM 0 H ASN A 25 10.027 6.898 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 25 8.608 9.458 -6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.334 10.300 -7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.140 9.321 -6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.446 8.540 -9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.223 10.005 -8.937 1.00 0.00 H new ATOM 81 N LEU A 26 7.869 9.492 -8.769 1.00 0.00 N ATOM 82 CA LEU A 26 7.072 9.358 -9.976 1.00 0.00 C ATOM 83 C LEU A 26 7.567 10.358 -11.023 1.00 0.00 C ATOM 84 O LEU A 26 7.961 11.473 -10.684 1.00 0.00 O ATOM 85 CB LEU A 26 5.582 9.494 -9.653 1.00 0.00 C ATOM 86 CG LEU A 26 4.696 10.022 -10.783 1.00 0.00 C ATOM 87 CD1 LEU A 26 3.587 9.024 -11.122 1.00 0.00 C ATOM 88 CD2 LEU A 26 4.138 11.405 -10.442 1.00 0.00 C ATOM 0 H LEU A 26 8.077 10.454 -8.500 1.00 0.00 H new ATOM 0 HA LEU A 26 7.193 8.362 -10.403 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.206 8.517 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.476 10.157 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 26 5.312 10.135 -11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.972 9.424 -11.928 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.031 8.080 -11.438 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.967 8.856 -10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.512 11.757 -11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.542 11.343 -9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.962 12.102 -10.289 1.00 0.00 H new ATOM 100 N LYS A 27 7.532 9.922 -12.274 1.00 0.00 N ATOM 101 CA LYS A 27 7.973 10.765 -13.372 1.00 0.00 C ATOM 102 C LYS A 27 6.930 10.726 -14.490 1.00 0.00 C ATOM 103 O LYS A 27 6.693 9.676 -15.087 1.00 0.00 O ATOM 104 CB LYS A 27 9.377 10.362 -13.827 1.00 0.00 C ATOM 105 CG LYS A 27 10.369 11.510 -13.627 1.00 0.00 C ATOM 106 CD LYS A 27 11.058 11.408 -12.265 1.00 0.00 C ATOM 107 CE LYS A 27 12.570 11.236 -12.427 1.00 0.00 C ATOM 108 NZ LYS A 27 13.296 12.186 -11.555 1.00 0.00 N ATOM 0 H LYS A 27 7.205 8.996 -12.551 1.00 0.00 H new ATOM 0 HA LYS A 27 8.054 11.802 -13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.708 9.488 -13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.354 10.075 -14.878 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.117 11.491 -14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.847 12.464 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.851 12.305 -11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.650 10.564 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.854 10.214 -12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.851 11.400 -13.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.321 12.056 -11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.038 13.160 -11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.041 12.011 -10.562 1.00 0.00 H new ATOM 121 N VAL A 28 6.333 11.882 -14.741 1.00 0.00 N ATOM 122 CA VAL A 28 5.321 11.992 -15.777 1.00 0.00 C ATOM 123 C VAL A 28 5.922 12.687 -17.000 1.00 0.00 C ATOM 124 O VAL A 28 6.382 13.825 -16.909 1.00 0.00 O ATOM 125 CB VAL A 28 4.086 12.711 -15.228 1.00 0.00 C ATOM 126 CG1 VAL A 28 3.822 12.314 -13.774 1.00 0.00 C ATOM 127 CG2 VAL A 28 4.229 14.228 -15.364 1.00 0.00 C ATOM 0 H VAL A 28 6.531 12.751 -14.244 1.00 0.00 H new ATOM 0 HA VAL A 28 4.991 11.003 -16.095 1.00 0.00 H new ATOM 0 HB VAL A 28 3.226 12.401 -15.822 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.939 12.839 -13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.655 11.238 -13.715 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.683 12.582 -13.162 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.338 14.715 -14.967 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.104 14.562 -14.807 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.347 14.490 -16.416 1.00 0.00 H new ATOM 137 N SER A 29 5.899 11.975 -18.117 1.00 0.00 N ATOM 138 CA SER A 29 6.437 12.509 -19.357 1.00 0.00 C ATOM 139 C SER A 29 5.315 12.676 -20.384 1.00 0.00 C ATOM 140 O SER A 29 4.384 11.873 -20.428 1.00 0.00 O ATOM 141 CB SER A 29 7.537 11.605 -19.915 1.00 0.00 C ATOM 142 OG SER A 29 7.079 10.272 -20.123 1.00 0.00 O ATOM 0 H SER A 29 5.516 11.032 -18.189 1.00 0.00 H new ATOM 0 HA SER A 29 6.878 13.484 -19.147 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.899 12.015 -20.858 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.382 11.595 -19.226 1.00 0.00 H new ATOM 0 HG SER A 29 6.550 9.984 -19.350 1.00 0.00 H new ATOM 148 N ASP A 30 5.442 13.724 -21.185 1.00 0.00 N ATOM 149 CA ASP A 30 4.450 14.006 -22.209 1.00 0.00 C ATOM 150 C ASP A 30 5.057 14.945 -23.255 1.00 0.00 C ATOM 151 O ASP A 30 6.098 15.555 -23.017 1.00 0.00 O ATOM 152 CB ASP A 30 3.222 14.695 -21.612 1.00 0.00 C ATOM 153 CG ASP A 30 2.487 15.645 -22.560 1.00 0.00 C ATOM 154 OD1 ASP A 30 3.056 16.639 -23.034 1.00 0.00 O ATOM 155 OD2 ASP A 30 1.263 15.325 -22.812 1.00 0.00 O ATOM 0 H ASP A 30 6.216 14.387 -21.146 1.00 0.00 H new ATOM 0 HA ASP A 30 4.149 13.059 -22.657 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.523 13.930 -21.275 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.532 15.255 -20.729 1.00 0.00 H new ATOM 161 N GLY A 31 4.379 15.031 -24.390 1.00 0.00 N ATOM 162 CA GLY A 31 4.838 15.885 -25.472 1.00 0.00 C ATOM 163 C GLY A 31 5.766 16.983 -24.949 1.00 0.00 C ATOM 164 O GLY A 31 6.971 16.949 -25.191 1.00 0.00 O ATOM 0 H GLY A 31 3.516 14.524 -24.584 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.362 15.285 -26.216 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.981 16.336 -25.972 1.00 0.00 H new ATOM 168 N SER A 32 5.169 17.930 -24.240 1.00 0.00 N ATOM 169 CA SER A 32 5.927 19.036 -23.680 1.00 0.00 C ATOM 170 C SER A 32 5.741 19.083 -22.163 1.00 0.00 C ATOM 171 O SER A 32 6.345 19.913 -21.485 1.00 0.00 O ATOM 172 CB SER A 32 5.506 20.366 -24.308 1.00 0.00 C ATOM 173 OG SER A 32 6.616 21.237 -24.508 1.00 0.00 O ATOM 0 H SER A 32 4.169 17.954 -24.041 1.00 0.00 H new ATOM 0 HA SER A 32 6.981 18.876 -23.905 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.017 20.177 -25.264 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.773 20.854 -23.666 1.00 0.00 H new ATOM 0 HG SER A 32 6.306 22.074 -24.912 1.00 0.00 H new ATOM 179 N SER A 33 4.903 18.181 -21.673 1.00 0.00 N ATOM 180 CA SER A 33 4.630 18.109 -20.248 1.00 0.00 C ATOM 181 C SER A 33 5.537 17.065 -19.593 1.00 0.00 C ATOM 182 O SER A 33 5.324 15.864 -19.754 1.00 0.00 O ATOM 183 CB SER A 33 3.160 17.774 -19.985 1.00 0.00 C ATOM 184 OG SER A 33 2.992 17.004 -18.798 1.00 0.00 O ATOM 0 H SER A 33 4.404 17.494 -22.238 1.00 0.00 H new ATOM 0 HA SER A 33 4.836 19.086 -19.811 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.587 18.698 -19.902 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.756 17.223 -20.835 1.00 0.00 H new ATOM 0 HG SER A 33 2.709 17.590 -18.065 1.00 0.00 H new ATOM 190 N GLU A 34 6.529 17.561 -18.869 1.00 0.00 N ATOM 191 CA GLU A 34 7.469 16.686 -18.189 1.00 0.00 C ATOM 192 C GLU A 34 7.767 17.215 -16.785 1.00 0.00 C ATOM 193 O GLU A 34 8.429 18.241 -16.632 1.00 0.00 O ATOM 194 CB GLU A 34 8.757 16.529 -19.001 1.00 0.00 C ATOM 195 CG GLU A 34 9.439 17.882 -19.214 1.00 0.00 C ATOM 196 CD GLU A 34 10.372 17.840 -20.426 1.00 0.00 C ATOM 197 OE1 GLU A 34 11.026 16.816 -20.670 1.00 0.00 O ATOM 198 OE2 GLU A 34 10.403 18.922 -21.128 1.00 0.00 O ATOM 0 H GLU A 34 6.703 18.558 -18.738 1.00 0.00 H new ATOM 0 HA GLU A 34 7.015 15.700 -18.095 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.437 15.852 -18.484 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.530 16.076 -19.966 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.684 18.655 -19.358 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.006 18.152 -18.323 1.00 0.00 H new ATOM 206 N ILE A 35 7.264 16.492 -15.796 1.00 0.00 N ATOM 207 CA ILE A 35 7.468 16.875 -14.409 1.00 0.00 C ATOM 208 C ILE A 35 7.878 15.644 -13.599 1.00 0.00 C ATOM 209 O ILE A 35 7.586 14.515 -13.989 1.00 0.00 O ATOM 210 CB ILE A 35 6.229 17.587 -13.863 1.00 0.00 C ATOM 211 CG1 ILE A 35 6.594 18.503 -12.692 1.00 0.00 C ATOM 212 CG2 ILE A 35 5.140 16.581 -13.485 1.00 0.00 C ATOM 213 CD1 ILE A 35 7.212 19.811 -13.191 1.00 0.00 C ATOM 0 H ILE A 35 6.715 15.642 -15.927 1.00 0.00 H new ATOM 0 HA ILE A 35 8.283 17.595 -14.328 1.00 0.00 H new ATOM 0 HB ILE A 35 5.823 18.219 -14.653 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.703 18.719 -12.103 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.296 17.993 -12.032 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.271 17.114 -13.100 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.853 16.007 -14.366 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.520 15.904 -12.719 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.462 20.443 -12.339 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.116 19.593 -13.759 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.498 20.330 -13.831 1.00 0.00 H new ATOM 225 N PHE A 36 8.546 15.904 -12.485 1.00 0.00 N ATOM 226 CA PHE A 36 8.999 14.831 -11.616 1.00 0.00 C ATOM 227 C PHE A 36 8.776 15.186 -10.144 1.00 0.00 C ATOM 228 O PHE A 36 9.129 16.279 -9.705 1.00 0.00 O ATOM 229 CB PHE A 36 10.498 14.656 -11.864 1.00 0.00 C ATOM 230 CG PHE A 36 11.240 15.965 -12.142 1.00 0.00 C ATOM 231 CD1 PHE A 36 11.740 16.695 -11.109 1.00 0.00 C ATOM 232 CD2 PHE A 36 11.399 16.399 -13.421 1.00 0.00 C ATOM 233 CE1 PHE A 36 12.429 17.910 -11.366 1.00 0.00 C ATOM 234 CE2 PHE A 36 12.087 17.614 -13.678 1.00 0.00 C ATOM 235 CZ PHE A 36 12.588 18.344 -12.646 1.00 0.00 C ATOM 0 H PHE A 36 8.785 16.842 -12.164 1.00 0.00 H new ATOM 0 HA PHE A 36 8.442 13.919 -11.831 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.946 14.174 -10.995 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.640 13.983 -12.710 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.613 16.351 -10.093 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.002 15.819 -14.241 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.827 18.489 -10.546 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.213 17.959 -14.694 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.112 19.268 -12.842 1.00 0.00 H new ATOM 245 N PHE A 37 8.190 14.241 -9.423 1.00 0.00 N ATOM 246 CA PHE A 37 7.916 14.441 -8.010 1.00 0.00 C ATOM 247 C PHE A 37 8.010 13.121 -7.242 1.00 0.00 C ATOM 248 O PHE A 37 7.937 12.046 -7.836 1.00 0.00 O ATOM 249 CB PHE A 37 6.488 14.979 -7.903 1.00 0.00 C ATOM 250 CG PHE A 37 6.390 16.504 -7.985 1.00 0.00 C ATOM 251 CD1 PHE A 37 6.538 17.132 -9.182 1.00 0.00 C ATOM 252 CD2 PHE A 37 6.154 17.231 -6.860 1.00 0.00 C ATOM 253 CE1 PHE A 37 6.447 18.547 -9.258 1.00 0.00 C ATOM 254 CE2 PHE A 37 6.062 18.646 -6.936 1.00 0.00 C ATOM 255 CZ PHE A 37 6.211 19.274 -8.133 1.00 0.00 C ATOM 0 H PHE A 37 7.898 13.336 -9.791 1.00 0.00 H new ATOM 0 HA PHE A 37 8.644 15.132 -7.584 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.886 14.543 -8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.056 14.648 -6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.725 16.554 -10.075 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.037 16.732 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.565 19.046 -10.209 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.874 19.224 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.142 20.350 -8.190 1.00 0.00 H new ATOM 265 N LYS A 38 8.169 13.246 -5.932 1.00 0.00 N ATOM 266 CA LYS A 38 8.274 12.076 -5.076 1.00 0.00 C ATOM 267 C LYS A 38 6.987 11.929 -4.262 1.00 0.00 C ATOM 268 O LYS A 38 6.420 12.920 -3.806 1.00 0.00 O ATOM 269 CB LYS A 38 9.539 12.151 -4.219 1.00 0.00 C ATOM 270 CG LYS A 38 10.788 11.876 -5.059 1.00 0.00 C ATOM 271 CD LYS A 38 11.919 11.317 -4.194 1.00 0.00 C ATOM 272 CE LYS A 38 11.728 9.820 -3.943 1.00 0.00 C ATOM 273 NZ LYS A 38 12.163 9.464 -2.574 1.00 0.00 N ATOM 0 H LYS A 38 8.228 14.139 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 38 8.377 11.172 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.614 13.137 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.476 11.427 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.548 11.168 -5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.116 12.797 -5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.876 11.488 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.951 11.848 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.680 9.553 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.300 9.247 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.027 8.444 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.169 9.700 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.599 9.997 -1.881 1.00 0.00 H new ATOM 286 N ILE A 39 6.564 10.683 -4.104 1.00 0.00 N ATOM 287 CA ILE A 39 5.354 10.393 -3.352 1.00 0.00 C ATOM 288 C ILE A 39 5.579 9.148 -2.493 1.00 0.00 C ATOM 289 O ILE A 39 6.599 8.472 -2.627 1.00 0.00 O ATOM 290 CB ILE A 39 4.153 10.283 -4.293 1.00 0.00 C ATOM 291 CG1 ILE A 39 4.173 11.397 -5.342 1.00 0.00 C ATOM 292 CG2 ILE A 39 2.841 10.261 -3.506 1.00 0.00 C ATOM 293 CD1 ILE A 39 4.918 10.951 -6.601 1.00 0.00 C ATOM 0 H ILE A 39 7.037 9.863 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 39 5.122 11.212 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 39 4.224 9.336 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.152 11.677 -5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.652 12.284 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.003 10.182 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.836 9.405 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.748 11.180 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.917 11.761 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.946 10.695 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.422 10.079 -7.027 1.00 0.00 H new ATOM 305 N LYS A 40 4.611 8.881 -1.630 1.00 0.00 N ATOM 306 CA LYS A 40 4.690 7.728 -0.749 1.00 0.00 C ATOM 307 C LYS A 40 3.772 6.624 -1.277 1.00 0.00 C ATOM 308 O LYS A 40 2.856 6.188 -0.581 1.00 0.00 O ATOM 309 CB LYS A 40 4.393 8.136 0.696 1.00 0.00 C ATOM 310 CG LYS A 40 5.674 8.556 1.421 1.00 0.00 C ATOM 311 CD LYS A 40 6.179 9.905 0.904 1.00 0.00 C ATOM 312 CE LYS A 40 5.908 11.017 1.920 1.00 0.00 C ATOM 313 NZ LYS A 40 5.807 12.327 1.239 1.00 0.00 N ATOM 0 H LYS A 40 3.767 9.443 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 40 5.702 7.324 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.679 8.959 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.928 7.304 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.485 8.621 2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.443 7.797 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.248 9.844 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.690 10.143 -0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.984 10.808 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.708 11.045 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.623 13.071 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.699 12.531 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.028 12.301 0.551 1.00 0.00 H new ATOM 326 N LYS A 41 4.049 6.204 -2.502 1.00 0.00 N ATOM 327 CA LYS A 41 3.259 5.159 -3.131 1.00 0.00 C ATOM 328 C LYS A 41 3.798 4.896 -4.539 1.00 0.00 C ATOM 329 O LYS A 41 4.225 5.821 -5.227 1.00 0.00 O ATOM 330 CB LYS A 41 1.772 5.518 -3.100 1.00 0.00 C ATOM 331 CG LYS A 41 0.944 4.374 -2.511 1.00 0.00 C ATOM 332 CD LYS A 41 -0.552 4.684 -2.589 1.00 0.00 C ATOM 333 CE LYS A 41 -1.041 5.351 -1.302 1.00 0.00 C ATOM 334 NZ LYS A 41 -2.204 6.224 -1.580 1.00 0.00 N ATOM 0 H LYS A 41 4.809 6.568 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 41 3.350 4.226 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.624 6.421 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.427 5.739 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.156 3.451 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.231 4.209 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.748 5.338 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.110 3.763 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.317 4.589 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.235 5.938 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.523 6.669 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.930 6.962 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.977 5.655 -1.980 1.00 0.00 H new ATOM 347 N THR A 42 3.761 3.629 -4.925 1.00 0.00 N ATOM 348 CA THR A 42 4.240 3.232 -6.238 1.00 0.00 C ATOM 349 C THR A 42 3.101 3.279 -7.258 1.00 0.00 C ATOM 350 O THR A 42 3.289 3.740 -8.383 1.00 0.00 O ATOM 351 CB THR A 42 4.884 1.850 -6.109 1.00 0.00 C ATOM 352 OG1 THR A 42 4.777 1.294 -7.416 1.00 0.00 O ATOM 353 CG2 THR A 42 4.064 0.902 -5.232 1.00 0.00 C ATOM 0 H THR A 42 3.407 2.864 -4.351 1.00 0.00 H new ATOM 0 HA THR A 42 4.995 3.925 -6.609 1.00 0.00 H new ATOM 0 HB THR A 42 5.886 1.954 -5.693 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.601 0.811 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.565 -0.064 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.969 1.323 -4.231 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.073 0.771 -5.666 1.00 0.00 H new ATOM 361 N THR A 43 1.945 2.795 -6.829 1.00 0.00 N ATOM 362 CA THR A 43 0.776 2.775 -7.691 1.00 0.00 C ATOM 363 C THR A 43 0.808 3.958 -8.661 1.00 0.00 C ATOM 364 O THR A 43 0.344 5.049 -8.332 1.00 0.00 O ATOM 365 CB THR A 43 -0.468 2.754 -6.800 1.00 0.00 C ATOM 366 OG1 THR A 43 -1.496 3.295 -7.626 1.00 0.00 O ATOM 367 CG2 THR A 43 -0.370 3.740 -5.634 1.00 0.00 C ATOM 0 H THR A 43 1.793 2.414 -5.895 1.00 0.00 H new ATOM 0 HA THR A 43 0.761 1.882 -8.316 1.00 0.00 H new ATOM 0 HB THR A 43 -0.619 1.747 -6.412 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.265 2.688 -7.631 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.278 3.685 -5.034 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.490 3.487 -5.015 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.252 4.752 -6.022 1.00 0.00 H new ATOM 375 N PRO A 44 1.376 3.696 -9.869 1.00 0.00 N ATOM 376 CA PRO A 44 1.476 4.725 -10.889 1.00 0.00 C ATOM 377 C PRO A 44 0.117 4.981 -11.544 1.00 0.00 C ATOM 378 O PRO A 44 -0.294 6.129 -11.703 1.00 0.00 O ATOM 379 CB PRO A 44 2.520 4.211 -11.867 1.00 0.00 C ATOM 380 CG PRO A 44 2.627 2.716 -11.614 1.00 0.00 C ATOM 381 CD PRO A 44 1.936 2.416 -10.293 1.00 0.00 C ATOM 0 HA PRO A 44 1.773 5.692 -10.483 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.224 4.413 -12.896 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.479 4.704 -11.709 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.160 2.157 -12.425 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.672 2.409 -11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.157 1.664 -10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.640 2.028 -9.557 1.00 0.00 H new ATOM 389 N LEU A 45 -0.543 3.891 -11.908 1.00 0.00 N ATOM 390 CA LEU A 45 -1.847 3.983 -12.543 1.00 0.00 C ATOM 391 C LEU A 45 -2.656 5.098 -11.878 1.00 0.00 C ATOM 392 O LEU A 45 -3.391 5.821 -12.548 1.00 0.00 O ATOM 393 CB LEU A 45 -2.546 2.622 -12.528 1.00 0.00 C ATOM 394 CG LEU A 45 -2.889 2.059 -11.148 1.00 0.00 C ATOM 395 CD1 LEU A 45 -3.723 0.782 -11.268 1.00 0.00 C ATOM 396 CD2 LEU A 45 -1.624 1.842 -10.315 1.00 0.00 C ATOM 0 H LEU A 45 -0.199 2.940 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.741 4.250 -13.594 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.467 2.703 -13.105 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.909 1.903 -13.044 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.499 2.793 -10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.953 0.403 -10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.651 1.002 -11.796 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.160 0.030 -11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.896 1.441 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.968 1.138 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.106 2.792 -10.186 1.00 0.00 H new ATOM 408 N ARG A 46 -2.493 5.202 -10.567 1.00 0.00 N ATOM 409 CA ARG A 46 -3.200 6.217 -9.804 1.00 0.00 C ATOM 410 C ARG A 46 -2.312 7.447 -9.607 1.00 0.00 C ATOM 411 O ARG A 46 -2.812 8.558 -9.443 1.00 0.00 O ATOM 412 CB ARG A 46 -3.625 5.680 -8.436 1.00 0.00 C ATOM 413 CG ARG A 46 -4.852 4.774 -8.560 1.00 0.00 C ATOM 414 CD ARG A 46 -4.960 3.831 -7.360 1.00 0.00 C ATOM 415 NE ARG A 46 -6.376 3.468 -7.128 1.00 0.00 N ATOM 416 CZ ARG A 46 -7.285 4.289 -6.560 1.00 0.00 C ATOM 417 NH1 ARG A 46 -6.932 5.530 -6.162 1.00 0.00 N ATOM 418 NH2 ARG A 46 -8.524 3.861 -6.401 1.00 0.00 N ATOM 0 H ARG A 46 -1.882 4.601 -10.014 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.091 6.494 -10.367 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.802 5.124 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.849 6.512 -7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.753 5.383 -8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.788 4.192 -9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.370 2.932 -7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.549 4.311 -6.472 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.685 2.539 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.973 5.853 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.624 6.144 -5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.782 2.922 -6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.223 4.469 -5.974 1.00 0.00 H new ATOM 431 N ARG A 47 -1.009 7.207 -9.631 1.00 0.00 N ATOM 432 CA ARG A 47 -0.047 8.282 -9.458 1.00 0.00 C ATOM 433 C ARG A 47 -0.110 9.247 -10.643 1.00 0.00 C ATOM 434 O ARG A 47 -0.480 10.409 -10.482 1.00 0.00 O ATOM 435 CB ARG A 47 1.376 7.732 -9.332 1.00 0.00 C ATOM 436 CG ARG A 47 2.243 8.650 -8.468 1.00 0.00 C ATOM 437 CD ARG A 47 2.167 8.247 -6.993 1.00 0.00 C ATOM 438 NE ARG A 47 0.771 7.912 -6.632 1.00 0.00 N ATOM 439 CZ ARG A 47 -0.123 8.805 -6.157 1.00 0.00 C ATOM 440 NH1 ARG A 47 0.226 10.097 -5.981 1.00 0.00 N ATOM 441 NH2 ARG A 47 -1.344 8.395 -5.866 1.00 0.00 N ATOM 0 H ARG A 47 -0.597 6.284 -9.768 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.303 8.812 -8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.347 6.735 -8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.820 7.632 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.278 8.605 -8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.914 9.683 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.815 7.390 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.528 9.062 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 47 0.465 6.946 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.172 10.405 -6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.456 10.765 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.599 7.417 -6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.032 9.057 -5.506 1.00 0.00 H new ATOM 454 N LEU A 48 0.257 8.731 -11.806 1.00 0.00 N ATOM 455 CA LEU A 48 0.246 9.533 -13.018 1.00 0.00 C ATOM 456 C LEU A 48 -1.174 10.040 -13.276 1.00 0.00 C ATOM 457 O LEU A 48 -1.363 11.179 -13.700 1.00 0.00 O ATOM 458 CB LEU A 48 0.839 8.744 -14.188 1.00 0.00 C ATOM 459 CG LEU A 48 1.880 9.481 -15.034 1.00 0.00 C ATOM 460 CD1 LEU A 48 3.263 8.849 -14.874 1.00 0.00 C ATOM 461 CD2 LEU A 48 1.446 9.548 -16.500 1.00 0.00 C ATOM 0 H LEU A 48 0.564 7.767 -11.935 1.00 0.00 H new ATOM 0 HA LEU A 48 0.882 10.410 -12.900 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.296 7.836 -13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.024 8.432 -14.841 1.00 0.00 H new ATOM 0 HG LEU A 48 1.951 10.507 -14.672 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.984 9.392 -15.486 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.566 8.896 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.226 7.808 -15.194 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.203 10.077 -17.080 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.329 8.537 -16.891 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.496 10.078 -16.574 1.00 0.00 H new ATOM 473 N MET A 49 -2.137 9.170 -13.009 1.00 0.00 N ATOM 474 CA MET A 49 -3.534 9.516 -13.207 1.00 0.00 C ATOM 475 C MET A 49 -3.821 10.939 -12.723 1.00 0.00 C ATOM 476 O MET A 49 -4.532 11.692 -13.386 1.00 0.00 O ATOM 477 CB MET A 49 -4.418 8.528 -12.443 1.00 0.00 C ATOM 478 CG MET A 49 -5.788 9.139 -12.140 1.00 0.00 C ATOM 479 SD MET A 49 -6.537 9.736 -13.647 1.00 0.00 S ATOM 480 CE MET A 49 -7.081 11.347 -13.105 1.00 0.00 C ATOM 0 H MET A 49 -1.977 8.226 -12.657 1.00 0.00 H new ATOM 0 HA MET A 49 -3.754 9.464 -14.273 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.543 7.618 -13.030 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.929 8.242 -11.512 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.433 8.394 -11.674 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.681 9.958 -11.428 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.825 12.090 -13.860 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.161 11.336 -12.958 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.589 11.600 -12.166 1.00 0.00 H new ATOM 490 N GLU A 50 -3.253 11.263 -11.571 1.00 0.00 N ATOM 491 CA GLU A 50 -3.438 12.582 -10.990 1.00 0.00 C ATOM 492 C GLU A 50 -2.221 13.463 -11.275 1.00 0.00 C ATOM 493 O GLU A 50 -2.366 14.620 -11.667 1.00 0.00 O ATOM 494 CB GLU A 50 -3.706 12.486 -9.486 1.00 0.00 C ATOM 495 CG GLU A 50 -4.803 13.464 -9.061 1.00 0.00 C ATOM 496 CD GLU A 50 -5.185 13.255 -7.594 1.00 0.00 C ATOM 497 OE1 GLU A 50 -6.074 12.445 -7.294 1.00 0.00 O ATOM 498 OE2 GLU A 50 -4.521 13.971 -6.751 1.00 0.00 O ATOM 0 H GLU A 50 -2.664 10.635 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.311 13.042 -11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.002 11.469 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.790 12.700 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.460 14.488 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.681 13.328 -9.692 1.00 0.00 H new ATOM 506 N ALA A 51 -1.048 12.883 -11.067 1.00 0.00 N ATOM 507 CA ALA A 51 0.194 13.602 -11.297 1.00 0.00 C ATOM 508 C ALA A 51 0.175 14.207 -12.702 1.00 0.00 C ATOM 509 O ALA A 51 0.176 15.427 -12.857 1.00 0.00 O ATOM 510 CB ALA A 51 1.378 12.656 -11.085 1.00 0.00 C ATOM 0 H ALA A 51 -0.931 11.923 -10.742 1.00 0.00 H new ATOM 0 HA ALA A 51 0.301 14.422 -10.587 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.310 13.195 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.362 12.276 -10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.307 11.822 -11.783 1.00 0.00 H new ATOM 516 N PHE A 52 0.159 13.325 -13.691 1.00 0.00 N ATOM 517 CA PHE A 52 0.140 13.757 -15.078 1.00 0.00 C ATOM 518 C PHE A 52 -1.035 14.701 -15.343 1.00 0.00 C ATOM 519 O PHE A 52 -0.989 15.511 -16.268 1.00 0.00 O ATOM 520 CB PHE A 52 -0.027 12.501 -15.936 1.00 0.00 C ATOM 521 CG PHE A 52 -1.308 12.485 -16.772 1.00 0.00 C ATOM 522 CD1 PHE A 52 -1.485 13.399 -17.763 1.00 0.00 C ATOM 523 CD2 PHE A 52 -2.270 11.556 -16.524 1.00 0.00 C ATOM 524 CE1 PHE A 52 -2.675 13.383 -18.539 1.00 0.00 C ATOM 525 CE2 PHE A 52 -3.460 11.541 -17.300 1.00 0.00 C ATOM 526 CZ PHE A 52 -3.637 12.455 -18.291 1.00 0.00 C ATOM 0 H PHE A 52 0.159 12.314 -13.559 1.00 0.00 H new ATOM 0 HA PHE A 52 1.061 14.291 -15.313 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.831 12.412 -16.603 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.018 11.626 -15.286 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.721 14.137 -17.960 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.129 10.830 -15.737 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.815 14.109 -19.326 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.224 10.804 -17.103 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.542 12.444 -18.881 1.00 0.00 H new ATOM 536 N ALA A 53 -2.060 14.565 -14.514 1.00 0.00 N ATOM 537 CA ALA A 53 -3.244 15.396 -14.647 1.00 0.00 C ATOM 538 C ALA A 53 -3.088 16.643 -13.774 1.00 0.00 C ATOM 539 O ALA A 53 -3.942 17.529 -13.792 1.00 0.00 O ATOM 540 CB ALA A 53 -4.485 14.579 -14.280 1.00 0.00 C ATOM 0 H ALA A 53 -2.095 13.892 -13.748 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.365 15.729 -15.678 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.374 15.202 -14.380 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.567 13.721 -14.948 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.400 14.231 -13.251 1.00 0.00 H new ATOM 546 N LYS A 54 -1.993 16.671 -13.029 1.00 0.00 N ATOM 547 CA LYS A 54 -1.714 17.795 -12.151 1.00 0.00 C ATOM 548 C LYS A 54 -0.866 18.825 -12.900 1.00 0.00 C ATOM 549 O LYS A 54 -0.942 20.019 -12.618 1.00 0.00 O ATOM 550 CB LYS A 54 -1.081 17.310 -10.845 1.00 0.00 C ATOM 551 CG LYS A 54 -1.524 18.178 -9.666 1.00 0.00 C ATOM 552 CD LYS A 54 -2.996 17.935 -9.329 1.00 0.00 C ATOM 553 CE LYS A 54 -3.270 18.196 -7.846 1.00 0.00 C ATOM 554 NZ LYS A 54 -4.428 17.398 -7.385 1.00 0.00 N ATOM 0 H LYS A 54 -1.288 15.934 -13.015 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.640 18.293 -11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.362 16.273 -10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.005 17.335 -10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.907 17.957 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.371 19.230 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.624 18.585 -9.938 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.265 16.908 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.389 17.943 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.465 19.257 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.600 17.587 -6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.271 17.659 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.228 16.386 -7.518 1.00 0.00 H new ATOM 567 N ARG A 55 -0.079 18.324 -13.841 1.00 0.00 N ATOM 568 CA ARG A 55 0.783 19.185 -14.633 1.00 0.00 C ATOM 569 C ARG A 55 0.169 19.424 -16.014 1.00 0.00 C ATOM 570 O ARG A 55 -0.063 20.568 -16.405 1.00 0.00 O ATOM 571 CB ARG A 55 2.173 18.570 -14.800 1.00 0.00 C ATOM 572 CG ARG A 55 3.258 19.520 -14.288 1.00 0.00 C ATOM 573 CD ARG A 55 3.674 20.513 -15.375 1.00 0.00 C ATOM 574 NE ARG A 55 4.710 19.909 -16.243 1.00 0.00 N ATOM 575 CZ ARG A 55 5.480 20.610 -17.102 1.00 0.00 C ATOM 576 NH1 ARG A 55 5.338 21.948 -17.215 1.00 0.00 N ATOM 577 NH2 ARG A 55 6.374 19.968 -17.830 1.00 0.00 N ATOM 0 H ARG A 55 -0.020 17.332 -14.073 1.00 0.00 H new ATOM 0 HA ARG A 55 0.880 20.134 -14.105 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.225 17.626 -14.257 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.350 18.343 -15.851 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.890 20.062 -13.417 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.126 18.946 -13.963 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.807 20.795 -15.972 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.057 21.425 -14.918 1.00 0.00 H new ATOM 0 HE ARG A 55 4.851 18.900 -16.189 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.645 22.437 -16.649 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.924 22.470 -17.867 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.475 18.957 -17.739 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.964 20.483 -18.484 1.00 0.00 H new ATOM 590 N GLN A 56 -0.077 18.327 -16.715 1.00 0.00 N ATOM 591 CA GLN A 56 -0.660 18.403 -18.044 1.00 0.00 C ATOM 592 C GLN A 56 -2.180 18.550 -17.949 1.00 0.00 C ATOM 593 O GLN A 56 -2.786 19.281 -18.731 1.00 0.00 O ATOM 594 CB GLN A 56 -0.278 17.181 -18.880 1.00 0.00 C ATOM 595 CG GLN A 56 -0.684 17.369 -20.344 1.00 0.00 C ATOM 596 CD GLN A 56 -0.082 18.653 -20.918 1.00 0.00 C ATOM 597 OE1 GLN A 56 0.985 18.659 -21.510 1.00 0.00 O ATOM 598 NE2 GLN A 56 -0.825 19.738 -20.713 1.00 0.00 N ATOM 0 H GLN A 56 0.117 17.381 -16.388 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.260 19.284 -18.546 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.797 17.014 -18.816 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.764 16.293 -18.475 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.351 16.513 -20.931 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.771 17.406 -20.422 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.709 19.663 -20.209 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.511 20.644 -21.060 1.00 0.00 H new ATOM 607 N GLY A 57 -2.752 17.843 -16.986 1.00 0.00 N ATOM 608 CA GLY A 57 -4.190 17.886 -16.779 1.00 0.00 C ATOM 609 C GLY A 57 -4.678 19.326 -16.614 1.00 0.00 C ATOM 610 O GLY A 57 -5.871 19.600 -16.738 1.00 0.00 O ATOM 0 H GLY A 57 -2.246 17.237 -16.340 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.697 17.421 -17.625 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.451 17.306 -15.894 1.00 0.00 H new ATOM 614 N LYS A 58 -3.730 20.210 -16.337 1.00 0.00 N ATOM 615 CA LYS A 58 -4.049 21.616 -16.154 1.00 0.00 C ATOM 616 C LYS A 58 -4.684 22.162 -17.435 1.00 0.00 C ATOM 617 O LYS A 58 -5.582 23.001 -17.377 1.00 0.00 O ATOM 618 CB LYS A 58 -2.809 22.392 -15.704 1.00 0.00 C ATOM 619 CG LYS A 58 -2.977 22.913 -14.276 1.00 0.00 C ATOM 620 CD LYS A 58 -4.113 23.935 -14.195 1.00 0.00 C ATOM 621 CE LYS A 58 -4.224 24.521 -12.786 1.00 0.00 C ATOM 622 NZ LYS A 58 -3.277 25.646 -12.617 1.00 0.00 N ATOM 0 H LYS A 58 -2.742 19.980 -16.235 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.782 21.740 -15.357 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.932 21.747 -15.759 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.633 23.228 -16.381 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.183 22.081 -13.603 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.047 23.371 -13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.938 24.736 -14.913 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.055 23.460 -14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.243 24.865 -12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.015 23.748 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.365 26.032 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.305 25.307 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.495 26.390 -13.310 1.00 0.00 H new ATOM 635 N GLU A 59 -4.194 21.663 -18.560 1.00 0.00 N ATOM 636 CA GLU A 59 -4.703 22.089 -19.852 1.00 0.00 C ATOM 637 C GLU A 59 -5.785 21.125 -20.341 1.00 0.00 C ATOM 638 O GLU A 59 -6.357 21.319 -21.413 1.00 0.00 O ATOM 639 CB GLU A 59 -3.572 22.208 -20.875 1.00 0.00 C ATOM 640 CG GLU A 59 -3.896 23.267 -21.931 1.00 0.00 C ATOM 641 CD GLU A 59 -2.793 24.324 -22.004 1.00 0.00 C ATOM 642 OE1 GLU A 59 -1.618 24.012 -21.762 1.00 0.00 O ATOM 643 OE2 GLU A 59 -3.192 25.508 -22.328 1.00 0.00 O ATOM 0 H GLU A 59 -3.449 20.967 -18.603 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.149 23.077 -19.736 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.643 22.468 -20.367 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.412 21.244 -21.359 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.013 22.791 -22.904 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.847 23.744 -21.693 1.00 0.00 H new ATOM 651 N MET A 60 -6.035 20.106 -19.532 1.00 0.00 N ATOM 652 CA MET A 60 -7.038 19.111 -19.869 1.00 0.00 C ATOM 653 C MET A 60 -7.018 18.797 -21.366 1.00 0.00 C ATOM 654 O MET A 60 -8.043 18.436 -21.942 1.00 0.00 O ATOM 655 CB MET A 60 -8.423 19.628 -19.474 1.00 0.00 C ATOM 656 CG MET A 60 -8.921 18.944 -18.199 1.00 0.00 C ATOM 657 SD MET A 60 -9.166 17.201 -18.498 1.00 0.00 S ATOM 658 CE MET A 60 -7.967 16.521 -17.364 1.00 0.00 C ATOM 0 H MET A 60 -5.560 19.948 -18.643 1.00 0.00 H new ATOM 0 HA MET A 60 -6.812 18.196 -19.322 1.00 0.00 H new ATOM 0 HB2 MET A 60 -8.382 20.706 -19.320 1.00 0.00 H new ATOM 0 HB3 MET A 60 -9.127 19.448 -20.286 1.00 0.00 H new ATOM 0 HG2 MET A 60 -8.199 19.086 -17.395 1.00 0.00 H new ATOM 0 HG3 MET A 60 -9.855 19.400 -17.873 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.648 15.540 -17.717 1.00 0.00 H new ATOM 0 HE2 MET A 60 -7.104 17.185 -17.306 1.00 0.00 H new ATOM 0 HE3 MET A 60 -8.416 16.422 -16.376 1.00 0.00 H new ATOM 668 N ASP A 61 -5.840 18.945 -21.953 1.00 0.00 N ATOM 669 CA ASP A 61 -5.672 18.681 -23.372 1.00 0.00 C ATOM 670 C ASP A 61 -5.035 17.303 -23.559 1.00 0.00 C ATOM 671 O ASP A 61 -4.956 16.798 -24.678 1.00 0.00 O ATOM 672 CB ASP A 61 -4.754 19.719 -24.021 1.00 0.00 C ATOM 673 CG ASP A 61 -4.752 19.716 -25.551 1.00 0.00 C ATOM 674 OD1 ASP A 61 -4.389 18.715 -26.187 1.00 0.00 O ATOM 675 OD2 ASP A 61 -5.151 20.813 -26.099 1.00 0.00 O ATOM 0 H ASP A 61 -4.992 19.245 -21.472 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.655 18.726 -23.841 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.050 20.710 -23.675 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.736 19.550 -23.671 1.00 0.00 H new ATOM 681 N SER A 62 -4.595 16.734 -22.447 1.00 0.00 N ATOM 682 CA SER A 62 -3.967 15.424 -22.474 1.00 0.00 C ATOM 683 C SER A 62 -4.953 14.360 -21.987 1.00 0.00 C ATOM 684 O SER A 62 -5.193 14.234 -20.787 1.00 0.00 O ATOM 685 CB SER A 62 -2.699 15.403 -21.618 1.00 0.00 C ATOM 686 OG SER A 62 -2.050 14.135 -21.655 1.00 0.00 O ATOM 0 H SER A 62 -4.661 17.156 -21.521 1.00 0.00 H new ATOM 0 HA SER A 62 -3.683 15.203 -23.503 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.012 16.172 -21.970 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.953 15.650 -20.587 1.00 0.00 H new ATOM 0 HG SER A 62 -2.273 13.678 -22.492 1.00 0.00 H new ATOM 692 N LEU A 63 -5.499 13.623 -22.943 1.00 0.00 N ATOM 693 CA LEU A 63 -6.453 12.574 -22.627 1.00 0.00 C ATOM 694 C LEU A 63 -6.029 11.278 -23.321 1.00 0.00 C ATOM 695 O LEU A 63 -6.872 10.529 -23.812 1.00 0.00 O ATOM 696 CB LEU A 63 -7.875 13.021 -22.975 1.00 0.00 C ATOM 697 CG LEU A 63 -8.042 14.496 -23.349 1.00 0.00 C ATOM 698 CD1 LEU A 63 -9.395 14.741 -24.018 1.00 0.00 C ATOM 699 CD2 LEU A 63 -7.833 15.397 -22.130 1.00 0.00 C ATOM 0 H LEU A 63 -5.299 13.732 -23.937 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.459 12.375 -21.555 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.232 12.413 -23.806 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.521 12.807 -22.123 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.272 14.754 -24.076 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.489 15.796 -24.274 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.467 14.140 -24.925 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.195 14.461 -23.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.957 16.440 -22.423 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.565 15.146 -21.362 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.828 15.248 -21.736 1.00 0.00 H new ATOM 711 N ARG A 64 -4.724 11.054 -23.339 1.00 0.00 N ATOM 712 CA ARG A 64 -4.178 9.862 -23.965 1.00 0.00 C ATOM 713 C ARG A 64 -3.048 9.284 -23.110 1.00 0.00 C ATOM 714 O ARG A 64 -1.873 9.511 -23.392 1.00 0.00 O ATOM 715 CB ARG A 64 -3.642 10.170 -25.364 1.00 0.00 C ATOM 716 CG ARG A 64 -3.956 9.030 -26.335 1.00 0.00 C ATOM 717 CD ARG A 64 -2.899 8.942 -27.438 1.00 0.00 C ATOM 718 NE ARG A 64 -3.517 8.462 -28.694 1.00 0.00 N ATOM 719 CZ ARG A 64 -2.823 7.937 -29.726 1.00 0.00 C ATOM 720 NH1 ARG A 64 -1.480 7.818 -29.659 1.00 0.00 N ATOM 721 NH2 ARG A 64 -3.478 7.540 -30.802 1.00 0.00 N ATOM 0 H ARG A 64 -4.028 11.678 -22.930 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.984 9.134 -24.050 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.084 11.097 -25.731 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.564 10.327 -25.318 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.999 8.086 -25.792 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.939 9.187 -26.780 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.445 9.920 -27.597 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.100 8.265 -27.134 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.530 8.532 -28.786 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.982 8.126 -28.824 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.963 7.420 -30.443 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.493 7.632 -30.844 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.969 7.141 -31.591 1.00 0.00 H new ATOM 734 N PHE A 65 -3.444 8.548 -22.082 1.00 0.00 N ATOM 735 CA PHE A 65 -2.480 7.935 -21.184 1.00 0.00 C ATOM 736 C PHE A 65 -1.949 6.622 -21.763 1.00 0.00 C ATOM 737 O PHE A 65 -2.716 5.692 -22.007 1.00 0.00 O ATOM 738 CB PHE A 65 -3.213 7.642 -19.873 1.00 0.00 C ATOM 739 CG PHE A 65 -4.139 6.426 -19.937 1.00 0.00 C ATOM 740 CD1 PHE A 65 -5.422 6.571 -20.366 1.00 0.00 C ATOM 741 CD2 PHE A 65 -3.681 5.201 -19.565 1.00 0.00 C ATOM 742 CE1 PHE A 65 -6.282 5.442 -20.425 1.00 0.00 C ATOM 743 CE2 PHE A 65 -4.541 4.073 -19.624 1.00 0.00 C ATOM 744 CZ PHE A 65 -5.823 4.217 -20.053 1.00 0.00 C ATOM 0 H PHE A 65 -4.420 8.362 -21.851 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.632 8.604 -21.035 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.477 7.484 -19.084 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.799 8.518 -19.592 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.786 7.544 -20.661 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.663 5.086 -19.224 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.301 5.556 -20.765 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.177 3.100 -19.328 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.477 3.359 -20.098 1.00 0.00 H new ATOM 754 N LEU A 66 -0.640 6.589 -21.966 1.00 0.00 N ATOM 755 CA LEU A 66 0.003 5.405 -22.511 1.00 0.00 C ATOM 756 C LEU A 66 1.496 5.443 -22.181 1.00 0.00 C ATOM 757 O LEU A 66 2.049 6.508 -21.912 1.00 0.00 O ATOM 758 CB LEU A 66 -0.293 5.276 -24.007 1.00 0.00 C ATOM 759 CG LEU A 66 0.610 6.082 -24.941 1.00 0.00 C ATOM 760 CD1 LEU A 66 2.025 5.500 -24.973 1.00 0.00 C ATOM 761 CD2 LEU A 66 0.001 6.184 -26.341 1.00 0.00 C ATOM 0 H LEU A 66 -0.007 7.363 -21.763 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.403 4.505 -22.050 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.220 4.224 -24.282 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.325 5.580 -24.180 1.00 0.00 H new ATOM 0 HG LEU A 66 0.687 7.096 -24.549 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.647 6.092 -25.645 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.451 5.523 -23.970 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.987 4.470 -25.327 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.664 6.762 -26.985 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.127 5.184 -26.756 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.969 6.678 -26.281 1.00 0.00 H new ATOM 773 N TYR A 67 2.106 4.267 -22.211 1.00 0.00 N ATOM 774 CA TYR A 67 3.525 4.153 -21.918 1.00 0.00 C ATOM 775 C TYR A 67 4.340 4.003 -23.204 1.00 0.00 C ATOM 776 O TYR A 67 5.398 4.614 -23.347 1.00 0.00 O ATOM 777 CB TYR A 67 3.681 2.883 -21.079 1.00 0.00 C ATOM 778 CG TYR A 67 5.127 2.403 -20.939 1.00 0.00 C ATOM 779 CD1 TYR A 67 5.781 1.857 -22.024 1.00 0.00 C ATOM 780 CD2 TYR A 67 5.777 2.518 -19.727 1.00 0.00 C ATOM 781 CE1 TYR A 67 7.142 1.406 -21.892 1.00 0.00 C ATOM 782 CE2 TYR A 67 7.139 2.066 -19.595 1.00 0.00 C ATOM 783 CZ TYR A 67 7.754 1.533 -20.684 1.00 0.00 C ATOM 784 OH TYR A 67 9.039 1.107 -20.560 1.00 0.00 O ATOM 0 H TYR A 67 1.644 3.385 -22.434 1.00 0.00 H new ATOM 0 HA TYR A 67 3.883 5.043 -21.401 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.271 3.064 -20.085 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.087 2.087 -21.529 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.272 1.768 -22.972 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.265 2.946 -18.878 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.665 0.976 -22.733 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.659 2.149 -18.652 1.00 0.00 H new ATOM 0 HH TYR A 67 9.348 1.261 -19.643 1.00 0.00 H new ATOM 794 N ASP A 68 3.816 3.188 -24.108 1.00 0.00 N ATOM 795 CA ASP A 68 4.482 2.951 -25.377 1.00 0.00 C ATOM 796 C ASP A 68 3.593 3.454 -26.516 1.00 0.00 C ATOM 797 O ASP A 68 3.894 4.470 -27.141 1.00 0.00 O ATOM 798 CB ASP A 68 4.732 1.458 -25.597 1.00 0.00 C ATOM 799 CG ASP A 68 6.177 1.088 -25.940 1.00 0.00 C ATOM 800 OD1 ASP A 68 7.106 1.883 -25.733 1.00 0.00 O ATOM 801 OD2 ASP A 68 6.333 -0.088 -26.447 1.00 0.00 O ATOM 0 H ASP A 68 2.938 2.684 -23.986 1.00 0.00 H new ATOM 0 HA ASP A 68 5.436 3.478 -25.361 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.439 0.919 -24.696 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.083 1.111 -26.401 1.00 0.00 H new ATOM 807 N GLY A 69 2.516 2.720 -26.752 1.00 0.00 N ATOM 808 CA GLY A 69 1.581 3.079 -27.805 1.00 0.00 C ATOM 809 C GLY A 69 0.358 2.159 -27.790 1.00 0.00 C ATOM 810 O GLY A 69 -0.118 1.736 -28.842 1.00 0.00 O ATOM 0 H GLY A 69 2.270 1.878 -26.232 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.264 4.114 -27.677 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.077 3.015 -28.774 1.00 0.00 H new ATOM 814 N ILE A 70 -0.115 1.877 -26.585 1.00 0.00 N ATOM 815 CA ILE A 70 -1.273 1.015 -26.419 1.00 0.00 C ATOM 816 C ILE A 70 -1.926 1.301 -25.065 1.00 0.00 C ATOM 817 O ILE A 70 -2.359 0.380 -24.374 1.00 0.00 O ATOM 818 CB ILE A 70 -0.883 -0.451 -26.616 1.00 0.00 C ATOM 819 CG1 ILE A 70 0.602 -0.668 -26.317 1.00 0.00 C ATOM 820 CG2 ILE A 70 -1.263 -0.936 -28.017 1.00 0.00 C ATOM 821 CD1 ILE A 70 0.806 -1.879 -25.405 1.00 0.00 C ATOM 0 H ILE A 70 0.282 2.230 -25.714 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.019 1.228 -27.185 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.446 -1.053 -25.903 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.147 -0.815 -27.250 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.015 0.222 -25.843 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.975 -1.981 -28.131 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.340 -0.839 -28.156 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.745 -0.334 -28.763 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.870 -2.011 -25.208 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.280 -1.718 -24.464 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.414 -2.772 -25.892 1.00 0.00 H new ATOM 833 N ARG A 71 -1.977 2.581 -24.727 1.00 0.00 N ATOM 834 CA ARG A 71 -2.570 3.000 -23.469 1.00 0.00 C ATOM 835 C ARG A 71 -2.107 2.084 -22.333 1.00 0.00 C ATOM 836 O ARG A 71 -2.923 1.600 -21.550 1.00 0.00 O ATOM 837 CB ARG A 71 -4.098 2.975 -23.544 1.00 0.00 C ATOM 838 CG ARG A 71 -4.607 1.572 -23.879 1.00 0.00 C ATOM 839 CD ARG A 71 -6.132 1.501 -23.766 1.00 0.00 C ATOM 840 NE ARG A 71 -6.538 0.187 -23.220 1.00 0.00 N ATOM 841 CZ ARG A 71 -7.690 -0.031 -22.551 1.00 0.00 C ATOM 842 NH1 ARG A 71 -8.561 0.978 -22.338 1.00 0.00 N ATOM 843 NH2 ARG A 71 -7.952 -1.247 -22.107 1.00 0.00 N ATOM 0 H ARG A 71 -1.617 3.342 -25.303 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.244 4.022 -23.273 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.518 3.300 -22.592 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.440 3.680 -24.301 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.301 1.302 -24.889 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.154 0.846 -23.204 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.495 2.300 -23.120 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.585 1.653 -24.746 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.908 -0.603 -23.358 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.351 1.914 -22.684 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.429 0.804 -21.831 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.288 -2.004 -22.272 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.818 -1.429 -21.600 1.00 0.00 H new ATOM 856 N ILE A 72 -0.800 1.874 -22.280 1.00 0.00 N ATOM 857 CA ILE A 72 -0.220 1.025 -21.254 1.00 0.00 C ATOM 858 C ILE A 72 0.468 1.900 -20.204 1.00 0.00 C ATOM 859 O ILE A 72 0.568 3.114 -20.371 1.00 0.00 O ATOM 860 CB ILE A 72 0.703 -0.021 -21.883 1.00 0.00 C ATOM 861 CG1 ILE A 72 1.437 0.554 -23.096 1.00 0.00 C ATOM 862 CG2 ILE A 72 -0.070 -1.294 -22.231 1.00 0.00 C ATOM 863 CD1 ILE A 72 2.681 -0.274 -23.426 1.00 0.00 C ATOM 0 H ILE A 72 -0.126 2.277 -22.931 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.999 0.462 -20.740 1.00 0.00 H new ATOM 0 HB ILE A 72 1.461 -0.295 -21.149 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.768 0.571 -23.956 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.725 1.586 -22.896 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.609 -2.021 -22.677 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.507 -1.713 -21.325 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.863 -1.056 -22.940 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.185 0.156 -24.292 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.359 -0.269 -22.572 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.387 -1.300 -23.649 1.00 0.00 H new ATOM 875 N GLN A 73 0.925 1.248 -19.144 1.00 0.00 N ATOM 876 CA GLN A 73 1.600 1.951 -18.067 1.00 0.00 C ATOM 877 C GLN A 73 2.831 1.166 -17.611 1.00 0.00 C ATOM 878 O GLN A 73 3.125 0.098 -18.147 1.00 0.00 O ATOM 879 CB GLN A 73 0.648 2.207 -16.897 1.00 0.00 C ATOM 880 CG GLN A 73 -0.174 3.476 -17.126 1.00 0.00 C ATOM 881 CD GLN A 73 -1.672 3.188 -17.007 1.00 0.00 C ATOM 882 OE1 GLN A 73 -2.395 3.824 -16.257 1.00 0.00 O ATOM 883 NE2 GLN A 73 -2.096 2.198 -17.786 1.00 0.00 N ATOM 0 H GLN A 73 0.841 0.241 -19.009 1.00 0.00 H new ATOM 0 HA GLN A 73 1.929 2.920 -18.442 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.020 1.354 -16.774 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.219 2.301 -15.973 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.113 4.236 -16.399 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.045 3.882 -18.114 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.437 1.707 -18.390 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.080 1.930 -17.779 1.00 0.00 H new ATOM 892 N ALA A 74 3.519 1.724 -16.625 1.00 0.00 N ATOM 893 CA ALA A 74 4.711 1.090 -16.091 1.00 0.00 C ATOM 894 C ALA A 74 4.303 0.019 -15.077 1.00 0.00 C ATOM 895 O ALA A 74 4.124 -1.144 -15.434 1.00 0.00 O ATOM 896 CB ALA A 74 5.626 2.153 -15.480 1.00 0.00 C ATOM 0 H ALA A 74 3.273 2.609 -16.182 1.00 0.00 H new ATOM 0 HA ALA A 74 5.271 0.596 -16.885 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.521 1.676 -15.079 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.911 2.872 -16.248 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.099 2.669 -14.677 1.00 0.00 H new ATOM 902 N ASP A 75 4.168 0.451 -13.831 1.00 0.00 N ATOM 903 CA ASP A 75 3.784 -0.456 -12.763 1.00 0.00 C ATOM 904 C ASP A 75 2.305 -0.249 -12.430 1.00 0.00 C ATOM 905 O ASP A 75 1.932 -0.182 -11.260 1.00 0.00 O ATOM 906 CB ASP A 75 4.596 -0.187 -11.494 1.00 0.00 C ATOM 907 CG ASP A 75 5.975 0.433 -11.728 1.00 0.00 C ATOM 908 OD1 ASP A 75 6.095 1.524 -12.305 1.00 0.00 O ATOM 909 OD2 ASP A 75 6.967 -0.261 -11.284 1.00 0.00 O ATOM 0 H ASP A 75 4.318 1.416 -13.538 1.00 0.00 H new ATOM 0 HA ASP A 75 3.971 -1.475 -13.103 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.021 0.476 -10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.723 -1.126 -10.956 1.00 0.00 H new ATOM 915 N GLN A 76 1.503 -0.154 -13.481 1.00 0.00 N ATOM 916 CA GLN A 76 0.074 0.044 -13.315 1.00 0.00 C ATOM 917 C GLN A 76 -0.558 -1.179 -12.649 1.00 0.00 C ATOM 918 O GLN A 76 -1.725 -1.146 -12.260 1.00 0.00 O ATOM 919 CB GLN A 76 -0.597 0.345 -14.657 1.00 0.00 C ATOM 920 CG GLN A 76 -2.059 -0.106 -14.653 1.00 0.00 C ATOM 921 CD GLN A 76 -2.166 -1.620 -14.846 1.00 0.00 C ATOM 922 OE1 GLN A 76 -1.368 -2.243 -15.528 1.00 0.00 O ATOM 923 NE2 GLN A 76 -3.193 -2.176 -14.210 1.00 0.00 N ATOM 0 H GLN A 76 1.816 -0.211 -14.450 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.080 0.907 -12.667 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.543 1.414 -14.863 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.059 -0.161 -15.458 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.528 0.178 -13.711 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.603 0.405 -15.447 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.824 -1.597 -13.656 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.350 -3.182 -14.277 1.00 0.00 H new ATOM 932 N THR A 77 0.240 -2.231 -12.537 1.00 0.00 N ATOM 933 CA THR A 77 -0.226 -3.463 -11.924 1.00 0.00 C ATOM 934 C THR A 77 0.102 -3.473 -10.430 1.00 0.00 C ATOM 935 O THR A 77 1.126 -2.935 -10.012 1.00 0.00 O ATOM 936 CB THR A 77 0.392 -4.635 -12.689 1.00 0.00 C ATOM 937 OG1 THR A 77 0.393 -4.201 -14.047 1.00 0.00 O ATOM 938 CG2 THR A 77 -0.510 -5.871 -12.694 1.00 0.00 C ATOM 0 H THR A 77 1.207 -2.255 -12.861 1.00 0.00 H new ATOM 0 HA THR A 77 -1.311 -3.550 -11.987 1.00 0.00 H new ATOM 0 HB THR A 77 1.355 -4.890 -12.247 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.410 -3.666 -14.220 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.025 -6.673 -13.250 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.688 -6.196 -11.669 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.461 -5.626 -13.167 1.00 0.00 H new ATOM 946 N PRO A 78 -0.811 -4.106 -9.645 1.00 0.00 N ATOM 947 CA PRO A 78 -0.629 -4.193 -8.206 1.00 0.00 C ATOM 948 C PRO A 78 0.444 -5.224 -7.851 1.00 0.00 C ATOM 949 O PRO A 78 0.918 -5.266 -6.716 1.00 0.00 O ATOM 950 CB PRO A 78 -2.001 -4.549 -7.657 1.00 0.00 C ATOM 951 CG PRO A 78 -2.789 -5.103 -8.833 1.00 0.00 C ATOM 952 CD PRO A 78 -2.036 -4.754 -10.106 1.00 0.00 C ATOM 0 HA PRO A 78 -0.270 -3.261 -7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.923 -5.286 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.493 -3.672 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.903 -6.183 -8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.792 -4.677 -8.854 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.816 -5.646 -10.693 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.620 -4.090 -10.742 1.00 0.00 H new ATOM 960 N GLU A 79 0.795 -6.031 -8.841 1.00 0.00 N ATOM 961 CA GLU A 79 1.803 -7.060 -8.647 1.00 0.00 C ATOM 962 C GLU A 79 3.167 -6.564 -9.130 1.00 0.00 C ATOM 963 O GLU A 79 4.186 -7.210 -8.893 1.00 0.00 O ATOM 964 CB GLU A 79 1.407 -8.356 -9.357 1.00 0.00 C ATOM 965 CG GLU A 79 2.085 -9.565 -8.708 1.00 0.00 C ATOM 966 CD GLU A 79 2.543 -10.570 -9.767 1.00 0.00 C ATOM 967 OE1 GLU A 79 1.819 -10.815 -10.743 1.00 0.00 O ATOM 968 OE2 GLU A 79 3.697 -11.103 -9.549 1.00 0.00 O ATOM 0 H GLU A 79 0.399 -5.993 -9.780 1.00 0.00 H new ATOM 0 HA GLU A 79 1.874 -7.276 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.325 -8.479 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.687 -8.299 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.942 -9.234 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.393 -10.048 -8.018 1.00 0.00 H new ATOM 976 N ASP A 80 3.142 -5.420 -9.799 1.00 0.00 N ATOM 977 CA ASP A 80 4.365 -4.830 -10.317 1.00 0.00 C ATOM 978 C ASP A 80 4.827 -3.716 -9.376 1.00 0.00 C ATOM 979 O ASP A 80 6.016 -3.602 -9.080 1.00 0.00 O ATOM 980 CB ASP A 80 4.137 -4.217 -11.700 1.00 0.00 C ATOM 981 CG ASP A 80 5.388 -4.108 -12.574 1.00 0.00 C ATOM 982 OD1 ASP A 80 6.155 -5.072 -12.713 1.00 0.00 O ATOM 983 OD2 ASP A 80 5.564 -2.959 -13.133 1.00 0.00 O ATOM 0 H ASP A 80 2.295 -4.887 -9.994 1.00 0.00 H new ATOM 0 HA ASP A 80 5.115 -5.618 -10.391 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.394 -4.815 -12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.713 -3.221 -11.574 1.00 0.00 H new ATOM 989 N LEU A 81 3.864 -2.922 -8.932 1.00 0.00 N ATOM 990 CA LEU A 81 4.157 -1.821 -8.031 1.00 0.00 C ATOM 991 C LEU A 81 4.636 -2.379 -6.690 1.00 0.00 C ATOM 992 O LEU A 81 5.546 -1.826 -6.073 1.00 0.00 O ATOM 993 CB LEU A 81 2.950 -0.889 -7.913 1.00 0.00 C ATOM 994 CG LEU A 81 1.640 -1.541 -7.465 1.00 0.00 C ATOM 995 CD1 LEU A 81 1.515 -1.529 -5.940 1.00 0.00 C ATOM 996 CD2 LEU A 81 0.438 -0.880 -8.143 1.00 0.00 C ATOM 0 H LEU A 81 2.879 -3.020 -9.180 1.00 0.00 H new ATOM 0 HA LEU A 81 4.966 -1.208 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.197 -0.095 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.785 -0.416 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 81 1.654 -2.585 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.575 -1.998 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.347 -2.080 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.533 -0.500 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.480 -1.362 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.409 0.178 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.528 -0.984 -9.224 1.00 0.00 H new ATOM 1008 N ASP A 82 4.003 -3.468 -6.278 1.00 0.00 N ATOM 1009 CA ASP A 82 4.354 -4.107 -5.021 1.00 0.00 C ATOM 1010 C ASP A 82 5.689 -4.837 -5.180 1.00 0.00 C ATOM 1011 O ASP A 82 6.294 -5.254 -4.194 1.00 0.00 O ATOM 1012 CB ASP A 82 3.297 -5.135 -4.613 1.00 0.00 C ATOM 1013 CG ASP A 82 2.332 -4.673 -3.520 1.00 0.00 C ATOM 1014 OD1 ASP A 82 1.714 -3.603 -3.625 1.00 0.00 O ATOM 1015 OD2 ASP A 82 2.226 -5.472 -2.513 1.00 0.00 O ATOM 0 H ASP A 82 3.249 -3.924 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 82 4.419 -3.334 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.718 -5.408 -5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.803 -6.038 -4.272 1.00 0.00 H new ATOM 1021 N MET A 83 6.108 -4.971 -6.430 1.00 0.00 N ATOM 1022 CA MET A 83 7.360 -5.644 -6.731 1.00 0.00 C ATOM 1023 C MET A 83 8.471 -4.632 -7.020 1.00 0.00 C ATOM 1024 O MET A 83 9.494 -4.616 -6.336 1.00 0.00 O ATOM 1025 CB MET A 83 7.171 -6.555 -7.945 1.00 0.00 C ATOM 1026 CG MET A 83 8.434 -7.376 -8.216 1.00 0.00 C ATOM 1027 SD MET A 83 8.671 -7.567 -9.975 1.00 0.00 S ATOM 1028 CE MET A 83 8.615 -5.857 -10.483 1.00 0.00 C ATOM 0 H MET A 83 5.603 -4.625 -7.246 1.00 0.00 H new ATOM 0 HA MET A 83 7.650 -6.236 -5.863 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.328 -7.224 -7.774 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.929 -5.954 -8.821 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.300 -6.882 -7.775 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.350 -8.355 -7.743 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.055 -5.758 -11.475 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.579 -5.519 -10.510 1.00 0.00 H new ATOM 0 HE3 MET A 83 9.177 -5.248 -9.774 1.00 0.00 H new ATOM 1038 N GLU A 84 8.232 -3.813 -8.033 1.00 0.00 N ATOM 1039 CA GLU A 84 9.200 -2.800 -8.420 1.00 0.00 C ATOM 1040 C GLU A 84 8.944 -1.501 -7.654 1.00 0.00 C ATOM 1041 O GLU A 84 7.994 -1.410 -6.879 1.00 0.00 O ATOM 1042 CB GLU A 84 9.168 -2.561 -9.931 1.00 0.00 C ATOM 1043 CG GLU A 84 10.579 -2.345 -10.482 1.00 0.00 C ATOM 1044 CD GLU A 84 11.120 -3.624 -11.123 1.00 0.00 C ATOM 1045 OE1 GLU A 84 10.773 -3.937 -12.271 1.00 0.00 O ATOM 1046 OE2 GLU A 84 11.930 -4.304 -10.383 1.00 0.00 O ATOM 0 H GLU A 84 7.383 -3.830 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 84 10.196 -3.160 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.706 -3.414 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.550 -1.691 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.566 -1.542 -11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.243 -2.029 -9.677 1.00 0.00 H new ATOM 1054 N ASP A 85 9.809 -0.527 -7.899 1.00 0.00 N ATOM 1055 CA ASP A 85 9.688 0.763 -7.242 1.00 0.00 C ATOM 1056 C ASP A 85 10.191 1.859 -8.184 1.00 0.00 C ATOM 1057 O ASP A 85 11.340 2.287 -8.088 1.00 0.00 O ATOM 1058 CB ASP A 85 10.532 0.813 -5.967 1.00 0.00 C ATOM 1059 CG ASP A 85 11.736 -0.131 -5.951 1.00 0.00 C ATOM 1060 OD1 ASP A 85 12.629 -0.042 -6.807 1.00 0.00 O ATOM 1061 OD2 ASP A 85 11.736 -0.999 -4.996 1.00 0.00 O ATOM 0 H ASP A 85 10.596 -0.606 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 85 8.639 0.914 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.888 1.833 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.893 0.577 -5.117 1.00 0.00 H new ATOM 1067 N ASN A 86 9.304 2.283 -9.073 1.00 0.00 N ATOM 1068 CA ASN A 86 9.643 3.321 -10.032 1.00 0.00 C ATOM 1069 C ASN A 86 8.411 3.652 -10.876 1.00 0.00 C ATOM 1070 O ASN A 86 8.105 2.948 -11.837 1.00 0.00 O ATOM 1071 CB ASN A 86 10.753 2.856 -10.977 1.00 0.00 C ATOM 1072 CG ASN A 86 11.655 4.025 -11.380 1.00 0.00 C ATOM 1073 OD1 ASN A 86 11.301 5.186 -11.261 1.00 0.00 O ATOM 1074 ND2 ASN A 86 12.838 3.654 -11.862 1.00 0.00 N ATOM 0 H ASN A 86 8.351 1.927 -9.149 1.00 0.00 H new ATOM 0 HA ASN A 86 9.984 4.195 -9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.349 2.083 -10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.313 2.407 -11.868 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.512 4.360 -12.159 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.071 2.664 -11.935 1.00 0.00 H new ATOM 1081 N ASP A 87 7.736 4.723 -10.485 1.00 0.00 N ATOM 1082 CA ASP A 87 6.543 5.156 -11.194 1.00 0.00 C ATOM 1083 C ASP A 87 6.946 6.087 -12.339 1.00 0.00 C ATOM 1084 O ASP A 87 7.548 7.135 -12.109 1.00 0.00 O ATOM 1085 CB ASP A 87 5.601 5.926 -10.267 1.00 0.00 C ATOM 1086 CG ASP A 87 5.442 5.331 -8.866 1.00 0.00 C ATOM 1087 OD1 ASP A 87 5.544 4.110 -8.676 1.00 0.00 O ATOM 1088 OD2 ASP A 87 5.201 6.189 -7.934 1.00 0.00 O ATOM 0 H ASP A 87 7.992 5.304 -9.687 1.00 0.00 H new ATOM 0 HA ASP A 87 6.033 4.269 -11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.966 6.949 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.618 5.980 -10.736 1.00 0.00 H new ATOM 1094 N ILE A 88 6.597 5.672 -13.548 1.00 0.00 N ATOM 1095 CA ILE A 88 6.914 6.456 -14.729 1.00 0.00 C ATOM 1096 C ILE A 88 5.991 6.039 -15.876 1.00 0.00 C ATOM 1097 O ILE A 88 5.871 4.853 -16.181 1.00 0.00 O ATOM 1098 CB ILE A 88 8.403 6.341 -15.065 1.00 0.00 C ATOM 1099 CG1 ILE A 88 8.605 5.753 -16.463 1.00 0.00 C ATOM 1100 CG2 ILE A 88 9.146 5.541 -13.993 1.00 0.00 C ATOM 1101 CD1 ILE A 88 8.352 4.244 -16.465 1.00 0.00 C ATOM 0 H ILE A 88 6.098 4.802 -13.735 1.00 0.00 H new ATOM 0 HA ILE A 88 6.734 7.515 -14.543 1.00 0.00 H new ATOM 0 HB ILE A 88 8.831 7.343 -15.073 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.930 6.239 -17.167 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.620 5.956 -16.803 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.202 5.474 -14.255 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.043 6.040 -13.030 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.724 4.538 -13.929 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.502 3.851 -17.471 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.045 3.758 -15.778 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.328 4.046 -16.148 1.00 0.00 H new ATOM 1113 N ILE A 89 5.363 7.037 -16.480 1.00 0.00 N ATOM 1114 CA ILE A 89 4.454 6.788 -17.587 1.00 0.00 C ATOM 1115 C ILE A 89 4.448 8.002 -18.518 1.00 0.00 C ATOM 1116 O ILE A 89 5.034 9.036 -18.200 1.00 0.00 O ATOM 1117 CB ILE A 89 3.068 6.406 -17.066 1.00 0.00 C ATOM 1118 CG1 ILE A 89 3.170 5.651 -15.738 1.00 0.00 C ATOM 1119 CG2 ILE A 89 2.286 5.615 -18.116 1.00 0.00 C ATOM 1120 CD1 ILE A 89 1.785 5.428 -15.127 1.00 0.00 C ATOM 0 H ILE A 89 5.465 8.019 -16.224 1.00 0.00 H new ATOM 0 HA ILE A 89 4.794 5.936 -18.175 1.00 0.00 H new ATOM 0 HB ILE A 89 2.511 7.323 -16.873 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.660 4.691 -15.898 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.792 6.214 -15.042 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.304 5.356 -17.720 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.167 6.221 -19.014 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.829 4.703 -18.364 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.885 4.890 -14.185 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.308 6.391 -14.946 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.174 4.844 -15.815 1.00 0.00 H new ATOM 1132 N GLU A 90 3.779 7.836 -19.649 1.00 0.00 N ATOM 1133 CA GLU A 90 3.688 8.906 -20.629 1.00 0.00 C ATOM 1134 C GLU A 90 2.232 9.339 -20.808 1.00 0.00 C ATOM 1135 O GLU A 90 1.337 8.500 -20.894 1.00 0.00 O ATOM 1136 CB GLU A 90 4.302 8.480 -21.964 1.00 0.00 C ATOM 1137 CG GLU A 90 3.820 9.382 -23.102 1.00 0.00 C ATOM 1138 CD GLU A 90 4.932 9.613 -24.127 1.00 0.00 C ATOM 1139 OE1 GLU A 90 5.509 10.709 -24.180 1.00 0.00 O ATOM 1140 OE2 GLU A 90 5.192 8.603 -24.887 1.00 0.00 O ATOM 0 H GLU A 90 3.295 6.977 -19.909 1.00 0.00 H new ATOM 0 HA GLU A 90 4.257 9.759 -20.261 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.389 8.521 -21.898 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.035 7.445 -22.177 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.958 8.927 -23.591 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.489 10.338 -22.697 1.00 0.00 H new ATOM 1148 N ALA A 91 2.040 10.649 -20.860 1.00 0.00 N ATOM 1149 CA ALA A 91 0.708 11.205 -21.028 1.00 0.00 C ATOM 1150 C ALA A 91 0.605 11.864 -22.405 1.00 0.00 C ATOM 1151 O ALA A 91 1.078 12.982 -22.599 1.00 0.00 O ATOM 1152 CB ALA A 91 0.416 12.184 -19.890 1.00 0.00 C ATOM 0 H ALA A 91 2.785 11.342 -20.789 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.045 10.418 -20.982 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.583 12.601 -20.016 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.473 11.660 -18.936 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.150 12.990 -19.906 1.00 0.00 H new ATOM 1158 N HIS A 92 -0.017 11.142 -23.326 1.00 0.00 N ATOM 1159 CA HIS A 92 -0.189 11.642 -24.679 1.00 0.00 C ATOM 1160 C HIS A 92 -1.425 12.542 -24.741 1.00 0.00 C ATOM 1161 O HIS A 92 -2.339 12.403 -23.930 1.00 0.00 O ATOM 1162 CB HIS A 92 -0.244 10.488 -25.682 1.00 0.00 C ATOM 1163 CG HIS A 92 1.074 10.200 -26.360 1.00 0.00 C ATOM 1164 ND1 HIS A 92 1.822 11.177 -26.993 1.00 0.00 N ATOM 1165 CD2 HIS A 92 1.770 9.034 -26.495 1.00 0.00 C ATOM 1166 CE1 HIS A 92 2.916 10.614 -27.484 1.00 0.00 C ATOM 1167 NE2 HIS A 92 2.882 9.286 -27.175 1.00 0.00 N ATOM 0 H HIS A 92 -0.408 10.214 -23.161 1.00 0.00 H new ATOM 0 HA HIS A 92 0.673 12.248 -24.959 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.580 9.588 -25.167 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.990 10.717 -26.443 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.468 8.070 -26.113 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.698 11.118 -28.033 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.594 8.600 -27.425 1.00 0.00 H new ATOM 1175 N ARG A 93 -1.413 13.443 -25.712 1.00 0.00 N ATOM 1176 CA ARG A 93 -2.522 14.365 -25.890 1.00 0.00 C ATOM 1177 C ARG A 93 -3.479 13.844 -26.964 1.00 0.00 C ATOM 1178 O ARG A 93 -3.045 13.256 -27.954 1.00 0.00 O ATOM 1179 CB ARG A 93 -2.024 15.755 -26.291 1.00 0.00 C ATOM 1180 CG ARG A 93 -0.794 16.153 -25.474 1.00 0.00 C ATOM 1181 CD ARG A 93 -1.201 16.790 -24.144 1.00 0.00 C ATOM 1182 NE ARG A 93 -1.049 18.261 -24.220 1.00 0.00 N ATOM 1183 CZ ARG A 93 0.139 18.901 -24.201 1.00 0.00 C ATOM 1184 NH1 ARG A 93 1.292 18.203 -24.108 1.00 0.00 N ATOM 1185 NH2 ARG A 93 0.158 20.219 -24.273 1.00 0.00 N ATOM 0 H ARG A 93 -0.653 13.554 -26.384 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.046 14.440 -24.937 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.778 15.765 -27.353 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.817 16.487 -26.140 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.178 15.274 -25.286 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.185 16.853 -26.045 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.234 16.534 -23.910 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.584 16.393 -23.337 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.895 18.826 -24.291 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.269 17.185 -24.052 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.186 18.694 -24.094 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.717 20.739 -24.342 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.048 20.718 -24.260 1.00 0.00 H new ATOM 1198 N GLU A 94 -4.762 14.077 -26.733 1.00 0.00 N ATOM 1199 CA GLU A 94 -5.783 13.639 -27.669 1.00 0.00 C ATOM 1200 C GLU A 94 -7.085 14.407 -27.433 1.00 0.00 C ATOM 1201 O GLU A 94 -8.012 13.889 -26.813 1.00 0.00 O ATOM 1202 CB GLU A 94 -6.011 12.129 -27.564 1.00 0.00 C ATOM 1203 CG GLU A 94 -5.218 11.379 -28.636 1.00 0.00 C ATOM 1204 CD GLU A 94 -6.148 10.825 -29.718 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -6.879 11.593 -30.360 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -6.092 9.546 -29.881 1.00 0.00 O ATOM 0 H GLU A 94 -5.118 14.564 -25.911 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.437 13.852 -28.680 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.713 11.780 -26.575 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.073 11.910 -27.672 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.487 12.049 -29.088 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.661 10.562 -28.177 1.00 0.00 H new ATOM 1214 N GLN A 95 -7.113 15.631 -27.940 1.00 0.00 N ATOM 1215 CA GLN A 95 -8.285 16.476 -27.793 1.00 0.00 C ATOM 1216 C GLN A 95 -8.414 17.420 -28.990 1.00 0.00 C ATOM 1217 O GLN A 95 -7.647 18.373 -29.119 1.00 0.00 O ATOM 1218 CB GLN A 95 -8.234 17.260 -26.480 1.00 0.00 C ATOM 1219 CG GLN A 95 -9.345 18.311 -26.425 1.00 0.00 C ATOM 1220 CD GLN A 95 -10.720 17.650 -26.314 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -11.079 16.771 -27.080 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -11.467 18.120 -25.319 1.00 0.00 N ATOM 0 H GLN A 95 -6.342 16.058 -28.453 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.167 15.837 -27.763 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -8.335 16.574 -25.639 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.263 17.746 -26.380 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.185 18.970 -25.572 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.307 18.932 -27.320 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.105 18.857 -24.714 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.401 17.743 -25.161 1.00 0.00 H new ATOM 1231 N ILE A 96 -9.389 17.122 -29.836 1.00 0.00 N ATOM 1232 CA ILE A 96 -9.627 17.931 -31.019 1.00 0.00 C ATOM 1233 C ILE A 96 -10.838 18.835 -30.777 1.00 0.00 C ATOM 1234 O ILE A 96 -11.859 18.385 -30.259 1.00 0.00 O ATOM 1235 CB ILE A 96 -9.760 17.044 -32.258 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -8.492 16.215 -32.477 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -10.122 17.875 -33.491 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -8.679 14.784 -31.970 1.00 0.00 C ATOM 0 H ILE A 96 -10.024 16.331 -29.726 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.775 18.582 -31.213 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.578 16.343 -32.091 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.242 16.199 -33.538 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.654 16.682 -31.959 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.210 17.220 -34.358 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.071 18.383 -33.322 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.342 18.615 -33.673 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.764 14.216 -32.137 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.905 14.802 -30.904 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.502 14.312 -32.507 1.00 0.00 H new TER 1250 ILE A 96