USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 650 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 54 ASN : amide:sc= -5.87! C(o=-12!,f=-11!) USER MOD Set 1.2: A 58 ASN : amide:sc= -5.64! C(o=-12!,f=-13!) USER MOD Set 2.1: A 6 TYR OH : rot 180:sc= -0.0817 USER MOD Set 2.2: A 14 GLN : amide:sc= -1.35 K(o=-2.6,f=-3.8!) USER MOD Set 2.3: A 37 TYR OH : rot 86:sc= -1.19! USER MOD Set 3.1: A 8 TYR OH : rot 3:sc= 0.093 USER MOD Set 3.2: A 40 TYR OH : rot -51:sc= 0.365 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.7! C(o=-5.7!,f=-5.1!) USER MOD Single : A 17 SER OG : rot 104:sc= 1.24 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.139 K(o=-0.14,f=-2!) USER MOD Single : A 23 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -94:sc= -0.295 USER MOD Single : A 32 HIS : no HE2:sc= -14! C(o=-14!,f=-17!) USER MOD Single : A 34 THR OG1 : rot -83:sc= -1.27 USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.105 (180deg=-0.65) USER MOD Single : A 36 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -76:sc= 1.06 USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= -0.209 (180deg=-1.07) USER MOD Single : A 48 GLN : amide:sc= -5.11! K(o=-5.1!,f=-2.3) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.65 X(o=-1.7,f=-1.3) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -150:sc= -3.2! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.586 2.853 -7.449 1.00 0.00 N ATOM 80 CA TYR A 6 8.326 2.066 -7.482 1.00 0.00 C ATOM 81 C TYR A 6 7.270 2.789 -8.302 1.00 0.00 C ATOM 82 O TYR A 6 6.618 3.701 -7.835 1.00 0.00 O ATOM 83 CB TYR A 6 7.811 1.869 -6.062 1.00 0.00 C ATOM 84 CG TYR A 6 8.721 0.927 -5.309 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.892 0.432 -5.903 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.388 0.555 -4.006 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.726 -0.434 -5.185 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.219 -0.312 -3.288 1.00 0.00 C ATOM 89 CZ TYR A 6 10.389 -0.806 -3.877 1.00 0.00 C ATOM 90 OH TYR A 6 11.211 -1.658 -3.167 1.00 0.00 O ATOM 0 HA TYR A 6 8.530 1.098 -7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.762 2.829 -5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.798 1.468 -6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.150 0.718 -6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.486 0.937 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.629 -0.815 -5.639 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.958 -0.600 -2.280 1.00 0.00 H new ATOM 0 HH TYR A 6 10.831 -1.812 -2.277 1.00 0.00 H new ATOM 100 N SER A 7 7.075 2.364 -9.512 1.00 0.00 N ATOM 101 CA SER A 7 6.036 3.000 -10.358 1.00 0.00 C ATOM 102 C SER A 7 4.750 3.076 -9.540 1.00 0.00 C ATOM 103 O SER A 7 4.663 2.504 -8.478 1.00 0.00 O ATOM 104 CB SER A 7 5.807 2.123 -11.583 1.00 0.00 C ATOM 105 OG SER A 7 6.698 2.517 -12.619 1.00 0.00 O ATOM 0 H SER A 7 7.590 1.603 -9.953 1.00 0.00 H new ATOM 0 HA SER A 7 6.342 3.997 -10.674 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.968 1.075 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.775 2.214 -11.922 1.00 0.00 H new ATOM 0 HG SER A 7 6.553 1.953 -13.407 1.00 0.00 H new ATOM 111 N TYR A 8 3.753 3.771 -10.001 1.00 0.00 N ATOM 112 CA TYR A 8 2.499 3.848 -9.204 1.00 0.00 C ATOM 113 C TYR A 8 1.591 2.668 -9.554 1.00 0.00 C ATOM 114 O TYR A 8 0.462 2.583 -9.114 1.00 0.00 O ATOM 115 CB TYR A 8 1.798 5.174 -9.478 1.00 0.00 C ATOM 116 CG TYR A 8 2.690 6.288 -8.987 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.242 6.216 -7.703 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.974 7.382 -9.812 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.078 7.237 -7.242 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.812 8.405 -9.349 1.00 0.00 C ATOM 121 CZ TYR A 8 4.363 8.333 -8.064 1.00 0.00 C ATOM 122 OH TYR A 8 5.188 9.341 -7.609 1.00 0.00 O ATOM 0 H TYR A 8 3.749 4.283 -10.883 1.00 0.00 H new ATOM 0 HA TYR A 8 2.736 3.796 -8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.601 5.287 -10.544 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.834 5.207 -8.970 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.022 5.371 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.548 7.438 -10.803 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.504 7.180 -6.251 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.033 9.250 -9.984 1.00 0.00 H new ATOM 0 HH TYR A 8 5.523 9.112 -6.717 1.00 0.00 H new ATOM 132 N ALA A 9 2.095 1.736 -10.319 1.00 0.00 N ATOM 133 CA ALA A 9 1.289 0.536 -10.675 1.00 0.00 C ATOM 134 C ALA A 9 1.962 -0.683 -10.041 1.00 0.00 C ATOM 135 O ALA A 9 1.317 -1.622 -9.622 1.00 0.00 O ATOM 136 CB ALA A 9 1.239 0.375 -12.195 1.00 0.00 C ATOM 0 H ALA A 9 3.035 1.756 -10.714 1.00 0.00 H new ATOM 0 HA ALA A 9 0.268 0.639 -10.308 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.648 -0.505 -12.448 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.783 1.259 -12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.251 0.256 -12.582 1.00 0.00 H new ATOM 142 N GLN A 10 3.263 -0.643 -9.937 1.00 0.00 N ATOM 143 CA GLN A 10 4.015 -1.754 -9.295 1.00 0.00 C ATOM 144 C GLN A 10 4.119 -1.415 -7.816 1.00 0.00 C ATOM 145 O GLN A 10 4.138 -2.275 -6.959 1.00 0.00 O ATOM 146 CB GLN A 10 5.412 -1.848 -9.911 1.00 0.00 C ATOM 147 CG GLN A 10 6.235 -2.892 -9.157 1.00 0.00 C ATOM 148 CD GLN A 10 7.003 -2.215 -8.020 1.00 0.00 C ATOM 149 OE1 GLN A 10 6.494 -2.074 -6.926 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.218 -1.787 -8.234 1.00 0.00 N ATOM 0 H GLN A 10 3.843 0.125 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 10 3.514 -2.711 -9.440 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.339 -2.119 -10.964 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.907 -0.878 -9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.581 -3.666 -8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.931 -3.383 -9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.646 -1.905 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.739 -1.335 -7.483 1.00 0.00 H new ATOM 159 N LEU A 11 4.147 -0.144 -7.522 1.00 0.00 N ATOM 160 CA LEU A 11 4.203 0.303 -6.109 1.00 0.00 C ATOM 161 C LEU A 11 2.971 -0.261 -5.412 1.00 0.00 C ATOM 162 O LEU A 11 3.014 -0.673 -4.270 1.00 0.00 O ATOM 163 CB LEU A 11 4.178 1.834 -6.080 1.00 0.00 C ATOM 164 CG LEU A 11 3.908 2.342 -4.666 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.233 2.679 -3.989 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.050 3.603 -4.748 1.00 0.00 C ATOM 0 H LEU A 11 4.133 0.609 -8.210 1.00 0.00 H new ATOM 0 HA LEU A 11 5.108 -0.041 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.131 2.225 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.408 2.203 -6.758 1.00 0.00 H new ATOM 0 HG LEU A 11 3.389 1.576 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.043 3.042 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.855 1.785 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.748 3.451 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.851 3.974 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.579 4.366 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.107 3.370 -5.242 1.00 0.00 H new ATOM 178 N ILE A 12 1.877 -0.306 -6.121 1.00 0.00 N ATOM 179 CA ILE A 12 0.628 -0.873 -5.539 1.00 0.00 C ATOM 180 C ILE A 12 0.835 -2.370 -5.350 1.00 0.00 C ATOM 181 O ILE A 12 0.542 -2.931 -4.315 1.00 0.00 O ATOM 182 CB ILE A 12 -0.534 -0.676 -6.501 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.428 0.683 -7.205 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.846 -0.768 -5.727 1.00 0.00 C ATOM 185 CD1 ILE A 12 -0.119 1.771 -6.187 1.00 0.00 C ATOM 0 H ILE A 12 1.794 0.027 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 12 0.407 -0.376 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.504 -1.455 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.354 0.650 -7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.362 0.909 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.683 -0.628 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.923 -1.748 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.871 0.006 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.045 2.733 -6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.916 1.812 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.826 1.548 -5.692 1.00 0.00 H new ATOM 197 N VAL A 13 1.336 -3.018 -6.361 1.00 0.00 N ATOM 198 CA VAL A 13 1.576 -4.477 -6.267 1.00 0.00 C ATOM 199 C VAL A 13 2.398 -4.762 -5.009 1.00 0.00 C ATOM 200 O VAL A 13 2.368 -5.843 -4.458 1.00 0.00 O ATOM 201 CB VAL A 13 2.339 -4.935 -7.501 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.541 -6.445 -7.437 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.527 -4.573 -8.746 1.00 0.00 C ATOM 0 H VAL A 13 1.590 -2.594 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 13 0.629 -5.014 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 13 3.312 -4.446 -7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.087 -6.777 -8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.109 -6.698 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.571 -6.941 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.064 -4.897 -9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.558 -5.070 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.379 -3.494 -8.783 1.00 0.00 H new ATOM 213 N GLN A 14 3.120 -3.790 -4.534 1.00 0.00 N ATOM 214 CA GLN A 14 3.901 -3.996 -3.288 1.00 0.00 C ATOM 215 C GLN A 14 2.924 -3.894 -2.119 1.00 0.00 C ATOM 216 O GLN A 14 2.993 -4.627 -1.152 1.00 0.00 O ATOM 217 CB GLN A 14 4.967 -2.908 -3.162 1.00 0.00 C ATOM 218 CG GLN A 14 5.658 -3.027 -1.801 1.00 0.00 C ATOM 219 CD GLN A 14 7.104 -2.549 -1.924 1.00 0.00 C ATOM 220 OE1 GLN A 14 7.583 -1.802 -1.094 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.825 -2.952 -2.931 1.00 0.00 N ATOM 0 H GLN A 14 3.203 -2.864 -4.954 1.00 0.00 H new ATOM 0 HA GLN A 14 4.397 -4.967 -3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.699 -3.006 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.511 -1.923 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.128 -2.431 -1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.633 -4.061 -1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.423 -3.579 -3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.792 -2.641 -3.023 1.00 0.00 H new ATOM 230 N ALA A 15 2.015 -2.966 -2.221 1.00 0.00 N ATOM 231 CA ALA A 15 1.004 -2.749 -1.151 1.00 0.00 C ATOM 232 C ALA A 15 0.163 -4.012 -0.917 1.00 0.00 C ATOM 233 O ALA A 15 0.112 -4.523 0.184 1.00 0.00 O ATOM 234 CB ALA A 15 0.082 -1.603 -1.568 1.00 0.00 C ATOM 0 H ALA A 15 1.929 -2.336 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 15 1.524 -2.507 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.664 -1.435 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.670 -0.696 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.419 -1.860 -2.502 1.00 0.00 H new ATOM 240 N ILE A 16 -0.525 -4.510 -1.918 1.00 0.00 N ATOM 241 CA ILE A 16 -1.373 -5.721 -1.672 1.00 0.00 C ATOM 242 C ILE A 16 -0.501 -6.930 -1.340 1.00 0.00 C ATOM 243 O ILE A 16 -0.971 -7.921 -0.818 1.00 0.00 O ATOM 244 CB ILE A 16 -2.239 -6.068 -2.882 1.00 0.00 C ATOM 245 CG1 ILE A 16 -1.517 -5.785 -4.194 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.532 -5.261 -2.851 1.00 0.00 C ATOM 247 CD1 ILE A 16 -0.070 -6.227 -4.112 1.00 0.00 C ATOM 0 H ILE A 16 -0.538 -4.143 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.023 -5.481 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.457 -7.135 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.017 -6.307 -5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.565 -4.720 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.141 -5.516 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.083 -5.492 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.297 -4.197 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.429 -6.017 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.431 -5.686 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.027 -7.297 -3.909 1.00 0.00 H new ATOM 259 N SER A 17 0.760 -6.862 -1.636 1.00 0.00 N ATOM 260 CA SER A 17 1.653 -8.011 -1.331 1.00 0.00 C ATOM 261 C SER A 17 1.631 -8.251 0.175 1.00 0.00 C ATOM 262 O SER A 17 2.057 -9.280 0.660 1.00 0.00 O ATOM 263 CB SER A 17 3.080 -7.695 -1.785 1.00 0.00 C ATOM 264 OG SER A 17 3.207 -7.986 -3.171 1.00 0.00 O ATOM 0 H SER A 17 1.214 -6.062 -2.076 1.00 0.00 H new ATOM 0 HA SER A 17 1.309 -8.901 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.309 -6.646 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.795 -8.284 -1.211 1.00 0.00 H new ATOM 0 HG SER A 17 3.202 -7.150 -3.683 1.00 0.00 H new ATOM 270 N SER A 18 1.126 -7.303 0.917 1.00 0.00 N ATOM 271 CA SER A 18 1.062 -7.465 2.392 1.00 0.00 C ATOM 272 C SER A 18 -0.365 -7.836 2.798 1.00 0.00 C ATOM 273 O SER A 18 -0.594 -8.367 3.867 1.00 0.00 O ATOM 274 CB SER A 18 1.459 -6.155 3.070 1.00 0.00 C ATOM 275 OG SER A 18 1.137 -6.227 4.452 1.00 0.00 O ATOM 0 H SER A 18 0.755 -6.422 0.561 1.00 0.00 H new ATOM 0 HA SER A 18 1.748 -8.254 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.526 -5.975 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.936 -5.319 2.606 1.00 0.00 H new ATOM 0 HG SER A 18 1.392 -5.389 4.891 1.00 0.00 H new ATOM 281 N ALA A 19 -1.332 -7.566 1.958 1.00 0.00 N ATOM 282 CA ALA A 19 -2.734 -7.917 2.321 1.00 0.00 C ATOM 283 C ALA A 19 -2.859 -9.441 2.418 1.00 0.00 C ATOM 284 O ALA A 19 -2.430 -10.158 1.535 1.00 0.00 O ATOM 285 CB ALA A 19 -3.690 -7.396 1.247 1.00 0.00 C ATOM 0 H ALA A 19 -1.212 -7.123 1.047 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.988 -7.463 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.714 -7.654 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.597 -6.313 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.441 -7.849 0.287 1.00 0.00 H new ATOM 291 N GLN A 20 -3.441 -9.948 3.477 1.00 0.00 N ATOM 292 CA GLN A 20 -3.581 -11.426 3.602 1.00 0.00 C ATOM 293 C GLN A 20 -4.063 -11.985 2.265 1.00 0.00 C ATOM 294 O GLN A 20 -3.459 -12.872 1.695 1.00 0.00 O ATOM 295 CB GLN A 20 -4.597 -11.761 4.694 1.00 0.00 C ATOM 296 CG GLN A 20 -4.100 -12.964 5.499 1.00 0.00 C ATOM 297 CD GLN A 20 -4.627 -12.874 6.931 1.00 0.00 C ATOM 298 OE1 GLN A 20 -5.456 -12.039 7.234 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.179 -13.705 7.832 1.00 0.00 N ATOM 0 H GLN A 20 -3.821 -9.405 4.252 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.620 -11.867 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.737 -10.903 5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.567 -11.983 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.437 -13.890 5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.010 -12.987 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.483 -14.406 7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.525 -13.653 8.790 1.00 0.00 H new ATOM 308 N ASP A 21 -5.137 -11.455 1.751 1.00 0.00 N ATOM 309 CA ASP A 21 -5.649 -11.935 0.441 1.00 0.00 C ATOM 310 C ASP A 21 -5.003 -11.101 -0.668 1.00 0.00 C ATOM 311 O ASP A 21 -4.061 -11.527 -1.308 1.00 0.00 O ATOM 312 CB ASP A 21 -7.172 -11.780 0.398 1.00 0.00 C ATOM 313 CG ASP A 21 -7.818 -13.140 0.134 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.729 -13.995 1.000 1.00 0.00 O ATOM 315 OD2 ASP A 21 -8.393 -13.305 -0.930 1.00 0.00 O ATOM 0 H ASP A 21 -5.682 -10.709 2.183 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.402 -12.987 0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.533 -11.372 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.454 -11.074 -0.383 1.00 0.00 H new ATOM 320 N ARG A 22 -5.490 -9.911 -0.894 1.00 0.00 N ATOM 321 CA ARG A 22 -4.895 -9.046 -1.951 1.00 0.00 C ATOM 322 C ARG A 22 -5.679 -7.734 -2.032 1.00 0.00 C ATOM 323 O ARG A 22 -5.997 -7.261 -3.109 1.00 0.00 O ATOM 324 CB ARG A 22 -4.959 -9.769 -3.299 1.00 0.00 C ATOM 325 CG ARG A 22 -6.420 -9.935 -3.730 1.00 0.00 C ATOM 326 CD ARG A 22 -6.918 -11.324 -3.327 1.00 0.00 C ATOM 327 NE ARG A 22 -8.141 -11.659 -4.110 1.00 0.00 N ATOM 328 CZ ARG A 22 -9.316 -11.583 -3.548 1.00 0.00 C ATOM 329 NH1 ARG A 22 -9.890 -10.420 -3.395 1.00 0.00 N ATOM 330 NH2 ARG A 22 -9.919 -12.666 -3.139 1.00 0.00 N ATOM 0 H ARG A 22 -6.276 -9.500 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.854 -8.832 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.410 -9.203 -4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.480 -10.745 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.037 -9.167 -3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.509 -9.804 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.142 -12.067 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.138 -11.348 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.059 -11.948 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.420 -9.573 -3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.809 -10.358 -2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.472 -13.575 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.838 -12.603 -2.700 1.00 0.00 H new ATOM 344 N GLN A 23 -6.013 -7.149 -0.908 1.00 0.00 N ATOM 345 CA GLN A 23 -6.799 -5.884 -0.949 1.00 0.00 C ATOM 346 C GLN A 23 -6.474 -4.980 0.248 1.00 0.00 C ATOM 347 O GLN A 23 -6.653 -5.356 1.389 1.00 0.00 O ATOM 348 CB GLN A 23 -8.289 -6.230 -0.915 1.00 0.00 C ATOM 349 CG GLN A 23 -8.660 -6.757 0.473 1.00 0.00 C ATOM 350 CD GLN A 23 -9.766 -7.806 0.338 1.00 0.00 C ATOM 351 OE1 GLN A 23 -10.320 -7.986 -0.728 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.113 -8.511 1.380 1.00 0.00 N ATOM 0 H GLN A 23 -5.777 -7.490 0.024 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.541 -5.349 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.883 -5.347 -1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.516 -6.980 -1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.785 -7.194 0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.996 -5.937 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.648 -8.360 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.849 -9.213 1.299 1.00 0.00 H new ATOM 361 N LEU A 24 -6.034 -3.773 -0.010 1.00 0.00 N ATOM 362 CA LEU A 24 -5.742 -2.826 1.097 1.00 0.00 C ATOM 363 C LEU A 24 -6.778 -1.704 1.041 1.00 0.00 C ATOM 364 O LEU A 24 -7.521 -1.587 0.087 1.00 0.00 O ATOM 365 CB LEU A 24 -4.352 -2.191 0.927 1.00 0.00 C ATOM 366 CG LEU A 24 -3.320 -3.182 0.371 1.00 0.00 C ATOM 367 CD1 LEU A 24 -3.660 -4.617 0.785 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.291 -3.065 -1.153 1.00 0.00 C ATOM 0 H LEU A 24 -5.865 -3.406 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.773 -3.367 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.426 -1.334 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.008 -1.814 1.890 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.339 -2.941 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.914 -5.299 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.665 -4.691 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.644 -4.884 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.560 -3.765 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.277 -3.297 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.014 -2.049 -1.435 1.00 0.00 H new ATOM 380 N THR A 25 -6.816 -0.855 2.028 1.00 0.00 N ATOM 381 CA THR A 25 -7.786 0.270 1.980 1.00 0.00 C ATOM 382 C THR A 25 -7.196 1.341 1.066 1.00 0.00 C ATOM 383 O THR A 25 -6.042 1.274 0.698 1.00 0.00 O ATOM 384 CB THR A 25 -7.988 0.844 3.386 1.00 0.00 C ATOM 385 OG1 THR A 25 -6.735 0.920 4.051 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.934 -0.059 4.178 1.00 0.00 C ATOM 0 H THR A 25 -6.224 -0.891 2.858 1.00 0.00 H new ATOM 0 HA THR A 25 -8.752 -0.070 1.606 1.00 0.00 H new ATOM 0 HB THR A 25 -8.420 1.842 3.311 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.864 1.289 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.076 0.351 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.896 -0.115 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.505 -1.058 4.253 1.00 0.00 H new ATOM 394 N LEU A 26 -7.955 2.327 0.683 1.00 0.00 N ATOM 395 CA LEU A 26 -7.376 3.370 -0.209 1.00 0.00 C ATOM 396 C LEU A 26 -6.105 3.921 0.442 1.00 0.00 C ATOM 397 O LEU A 26 -5.116 4.171 -0.218 1.00 0.00 O ATOM 398 CB LEU A 26 -8.381 4.506 -0.422 1.00 0.00 C ATOM 399 CG LEU A 26 -8.127 5.151 -1.787 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.266 6.118 -2.115 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.804 5.918 -1.751 1.00 0.00 C ATOM 0 H LEU A 26 -8.933 2.457 0.942 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.141 2.930 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.400 4.121 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.282 5.249 0.369 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.077 4.375 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.085 6.577 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.210 5.573 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.316 6.894 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.623 6.377 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.854 6.694 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.991 5.230 -1.518 1.00 0.00 H new ATOM 413 N SER A 27 -6.124 4.107 1.735 1.00 0.00 N ATOM 414 CA SER A 27 -4.919 4.638 2.432 1.00 0.00 C ATOM 415 C SER A 27 -4.142 3.489 3.085 1.00 0.00 C ATOM 416 O SER A 27 -3.632 3.620 4.180 1.00 0.00 O ATOM 417 CB SER A 27 -5.353 5.619 3.513 1.00 0.00 C ATOM 418 OG SER A 27 -5.382 6.933 2.973 1.00 0.00 O ATOM 0 H SER A 27 -6.923 3.914 2.338 1.00 0.00 H new ATOM 0 HA SER A 27 -4.280 5.140 1.705 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.338 5.348 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.664 5.576 4.357 1.00 0.00 H new ATOM 0 HG SER A 27 -5.662 7.566 3.667 1.00 0.00 H new ATOM 424 N GLY A 28 -4.042 2.373 2.426 1.00 0.00 N ATOM 425 CA GLY A 28 -3.289 1.225 3.012 1.00 0.00 C ATOM 426 C GLY A 28 -1.913 1.172 2.363 1.00 0.00 C ATOM 427 O GLY A 28 -0.898 1.006 3.011 1.00 0.00 O ATOM 0 H GLY A 28 -4.448 2.202 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.195 1.344 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.826 0.292 2.840 1.00 0.00 H new ATOM 431 N ILE A 29 -1.896 1.317 1.076 1.00 0.00 N ATOM 432 CA ILE A 29 -0.630 1.290 0.305 1.00 0.00 C ATOM 433 C ILE A 29 0.346 2.315 0.847 1.00 0.00 C ATOM 434 O ILE A 29 1.542 2.108 0.874 1.00 0.00 O ATOM 435 CB ILE A 29 -0.972 1.662 -1.117 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.300 1.882 -1.918 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.794 2.947 -1.128 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.099 2.217 -3.342 1.00 0.00 C ATOM 0 H ILE A 29 -2.732 1.457 0.508 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.172 0.303 0.373 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.547 0.851 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.888 2.692 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.924 0.988 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.039 3.213 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.714 2.795 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.217 3.752 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.796 2.381 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.672 1.391 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.708 3.121 -3.346 1.00 0.00 H new ATOM 450 N TYR A 30 -0.162 3.424 1.256 1.00 0.00 N ATOM 451 CA TYR A 30 0.721 4.494 1.778 1.00 0.00 C ATOM 452 C TYR A 30 1.395 4.005 3.053 1.00 0.00 C ATOM 453 O TYR A 30 2.588 4.141 3.229 1.00 0.00 O ATOM 454 CB TYR A 30 -0.128 5.726 2.058 1.00 0.00 C ATOM 455 CG TYR A 30 -1.031 5.954 0.870 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.515 5.862 -0.430 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.383 6.233 1.064 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.355 6.053 -1.531 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.225 6.421 -0.037 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.712 6.333 -1.335 1.00 0.00 C ATOM 461 OH TYR A 30 -3.544 6.515 -2.420 1.00 0.00 O ATOM 0 H TYR A 30 -1.158 3.644 1.254 1.00 0.00 H new ATOM 0 HA TYR A 30 1.493 4.748 1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.719 5.583 2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.507 6.596 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.532 5.643 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.781 6.304 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.957 5.984 -2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.273 6.634 0.116 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.605 7.471 -2.629 1.00 0.00 H new ATOM 471 N ALA A 31 0.648 3.414 3.929 1.00 0.00 N ATOM 472 CA ALA A 31 1.255 2.887 5.176 1.00 0.00 C ATOM 473 C ALA A 31 2.068 1.626 4.849 1.00 0.00 C ATOM 474 O ALA A 31 2.897 1.197 5.626 1.00 0.00 O ATOM 475 CB ALA A 31 0.149 2.537 6.175 1.00 0.00 C ATOM 0 H ALA A 31 -0.358 3.271 3.839 1.00 0.00 H new ATOM 0 HA ALA A 31 1.909 3.642 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.595 2.150 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.431 3.431 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.506 1.780 5.743 1.00 0.00 H new ATOM 481 N HIS A 32 1.833 1.022 3.706 1.00 0.00 N ATOM 482 CA HIS A 32 2.588 -0.214 3.343 1.00 0.00 C ATOM 483 C HIS A 32 3.999 0.141 2.856 1.00 0.00 C ATOM 484 O HIS A 32 4.978 -0.102 3.531 1.00 0.00 O ATOM 485 CB HIS A 32 1.840 -0.963 2.236 1.00 0.00 C ATOM 486 CG HIS A 32 2.701 -2.088 1.728 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.511 -3.401 2.127 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.761 -2.110 0.855 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.436 -4.152 1.500 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.223 -3.415 0.713 1.00 0.00 N ATOM 0 H HIS A 32 1.152 1.333 3.013 1.00 0.00 H new ATOM 0 HA HIS A 32 2.670 -0.846 4.227 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.898 -1.355 2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.594 -0.281 1.422 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.800 -3.737 2.777 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.173 -1.246 0.355 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.530 -5.221 1.619 1.00 0.00 H new ATOM 498 N ILE A 33 4.111 0.696 1.678 1.00 0.00 N ATOM 499 CA ILE A 33 5.456 1.053 1.132 1.00 0.00 C ATOM 500 C ILE A 33 6.214 1.947 2.115 1.00 0.00 C ATOM 501 O ILE A 33 7.422 1.895 2.205 1.00 0.00 O ATOM 502 CB ILE A 33 5.282 1.808 -0.183 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.292 2.955 0.020 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.757 0.861 -1.263 1.00 0.00 C ATOM 505 CD1 ILE A 33 5.059 4.276 0.077 1.00 0.00 C ATOM 0 H ILE A 33 3.325 0.919 1.067 1.00 0.00 H new ATOM 0 HA ILE A 33 6.022 0.135 0.972 1.00 0.00 H new ATOM 0 HB ILE A 33 6.245 2.207 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.569 2.976 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.730 2.807 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.636 1.407 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.466 0.046 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.795 0.454 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.358 5.098 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.765 4.251 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.602 4.422 -0.857 1.00 0.00 H new ATOM 517 N THR A 34 5.520 2.780 2.836 1.00 0.00 N ATOM 518 CA THR A 34 6.211 3.695 3.794 1.00 0.00 C ATOM 519 C THR A 34 7.040 2.888 4.794 1.00 0.00 C ATOM 520 O THR A 34 8.075 3.330 5.253 1.00 0.00 O ATOM 521 CB THR A 34 5.168 4.519 4.554 1.00 0.00 C ATOM 522 OG1 THR A 34 4.096 3.675 4.948 1.00 0.00 O ATOM 523 CG2 THR A 34 4.640 5.633 3.653 1.00 0.00 C ATOM 0 H THR A 34 4.504 2.870 2.806 1.00 0.00 H new ATOM 0 HA THR A 34 6.872 4.357 3.234 1.00 0.00 H new ATOM 0 HB THR A 34 5.627 4.960 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.469 3.572 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.898 6.219 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.464 6.280 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.180 5.197 2.766 1.00 0.00 H new ATOM 531 N LYS A 35 6.600 1.712 5.141 1.00 0.00 N ATOM 532 CA LYS A 35 7.370 0.889 6.117 1.00 0.00 C ATOM 533 C LYS A 35 8.702 0.455 5.497 1.00 0.00 C ATOM 534 O LYS A 35 9.723 0.429 6.155 1.00 0.00 O ATOM 535 CB LYS A 35 6.558 -0.352 6.490 1.00 0.00 C ATOM 536 CG LYS A 35 6.611 -0.560 8.005 1.00 0.00 C ATOM 537 CD LYS A 35 8.047 -0.876 8.429 1.00 0.00 C ATOM 538 CE LYS A 35 8.429 -2.273 7.937 1.00 0.00 C ATOM 539 NZ LYS A 35 7.608 -3.292 8.649 1.00 0.00 N ATOM 0 H LYS A 35 5.742 1.284 4.792 1.00 0.00 H new ATOM 0 HA LYS A 35 7.565 1.483 7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.524 -0.235 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.956 -1.228 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.258 0.335 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.948 -1.375 8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.731 -0.134 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.137 -0.824 9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.268 -2.348 6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.489 -2.456 8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.114 -4.201 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.439 -2.980 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.697 -3.407 8.160 1.00 0.00 H new ATOM 553 N HIS A 36 8.700 0.103 4.239 1.00 0.00 N ATOM 554 CA HIS A 36 9.967 -0.339 3.587 1.00 0.00 C ATOM 555 C HIS A 36 10.616 0.837 2.855 1.00 0.00 C ATOM 556 O HIS A 36 11.673 0.708 2.270 1.00 0.00 O ATOM 557 CB HIS A 36 9.661 -1.455 2.586 1.00 0.00 C ATOM 558 CG HIS A 36 8.861 -2.534 3.264 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.459 -3.636 3.854 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.511 -2.694 3.452 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.479 -4.404 4.365 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.271 -3.877 4.147 1.00 0.00 N ATOM 0 H HIS A 36 7.878 0.102 3.636 1.00 0.00 H new ATOM 0 HA HIS A 36 10.653 -0.707 4.350 1.00 0.00 H new ATOM 0 HB2 HIS A 36 9.106 -1.055 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.589 -1.869 2.192 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.750 -2.007 3.113 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.649 -5.334 4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.368 -4.259 4.429 1.00 0.00 H new ATOM 570 N TYR A 37 9.996 1.984 2.880 1.00 0.00 N ATOM 571 CA TYR A 37 10.581 3.162 2.187 1.00 0.00 C ATOM 572 C TYR A 37 10.611 4.347 3.166 1.00 0.00 C ATOM 573 O TYR A 37 9.576 4.877 3.516 1.00 0.00 O ATOM 574 CB TYR A 37 9.712 3.511 0.973 1.00 0.00 C ATOM 575 CG TYR A 37 10.316 2.919 -0.275 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.615 1.551 -0.326 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.568 3.731 -1.386 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.167 0.998 -1.485 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.122 3.178 -2.545 1.00 0.00 C ATOM 580 CZ TYR A 37 11.422 1.811 -2.595 1.00 0.00 C ATOM 581 OH TYR A 37 11.970 1.267 -3.738 1.00 0.00 O ATOM 0 H TYR A 37 9.108 2.155 3.352 1.00 0.00 H new ATOM 0 HA TYR A 37 11.594 2.940 1.852 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.701 3.128 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.632 4.593 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.419 0.923 0.531 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.335 4.785 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.397 -0.057 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.319 3.805 -3.402 1.00 0.00 H new ATOM 0 HH TYR A 37 11.256 0.899 -4.300 1.00 0.00 H new ATOM 591 N PRO A 38 11.797 4.717 3.590 1.00 0.00 N ATOM 592 CA PRO A 38 11.985 5.828 4.546 1.00 0.00 C ATOM 593 C PRO A 38 11.805 7.178 3.851 1.00 0.00 C ATOM 594 O PRO A 38 11.735 8.211 4.489 1.00 0.00 O ATOM 595 CB PRO A 38 13.425 5.646 5.033 1.00 0.00 C ATOM 596 CG PRO A 38 14.150 4.816 3.948 1.00 0.00 C ATOM 597 CD PRO A 38 13.055 4.076 3.158 1.00 0.00 C ATOM 0 HA PRO A 38 11.261 5.815 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.912 6.611 5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.448 5.133 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.733 5.461 3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.846 4.110 4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.204 4.176 2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.055 3.009 3.382 1.00 0.00 H new ATOM 605 N TYR A 39 11.732 7.182 2.551 1.00 0.00 N ATOM 606 CA TYR A 39 11.554 8.469 1.823 1.00 0.00 C ATOM 607 C TYR A 39 10.061 8.752 1.643 1.00 0.00 C ATOM 608 O TYR A 39 9.642 9.889 1.551 1.00 0.00 O ATOM 609 CB TYR A 39 12.225 8.377 0.452 1.00 0.00 C ATOM 610 CG TYR A 39 12.009 9.669 -0.302 1.00 0.00 C ATOM 611 CD1 TYR A 39 10.744 9.976 -0.818 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.075 10.559 -0.485 1.00 0.00 C ATOM 613 CE1 TYR A 39 10.544 11.173 -1.515 1.00 0.00 C ATOM 614 CE2 TYR A 39 12.875 11.756 -1.183 1.00 0.00 C ATOM 615 CZ TYR A 39 11.610 12.063 -1.698 1.00 0.00 C ATOM 616 OH TYR A 39 11.412 13.243 -2.385 1.00 0.00 O ATOM 0 H TYR A 39 11.788 6.352 1.961 1.00 0.00 H new ATOM 0 HA TYR A 39 12.010 9.276 2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.292 8.186 0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.811 7.541 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.923 9.289 -0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.051 10.322 -0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.568 11.410 -1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.697 12.443 -1.324 1.00 0.00 H new ATOM 0 HH TYR A 39 12.253 13.746 -2.421 1.00 0.00 H new ATOM 626 N TYR A 40 9.253 7.728 1.587 1.00 0.00 N ATOM 627 CA TYR A 40 7.790 7.943 1.407 1.00 0.00 C ATOM 628 C TYR A 40 7.106 8.059 2.774 1.00 0.00 C ATOM 629 O TYR A 40 5.919 8.303 2.861 1.00 0.00 O ATOM 630 CB TYR A 40 7.191 6.757 0.642 1.00 0.00 C ATOM 631 CG TYR A 40 6.897 7.158 -0.784 1.00 0.00 C ATOM 632 CD1 TYR A 40 6.365 8.422 -1.062 1.00 0.00 C ATOM 633 CD2 TYR A 40 7.154 6.261 -1.830 1.00 0.00 C ATOM 634 CE1 TYR A 40 6.090 8.792 -2.385 1.00 0.00 C ATOM 635 CE2 TYR A 40 6.878 6.632 -3.154 1.00 0.00 C ATOM 636 CZ TYR A 40 6.346 7.897 -3.430 1.00 0.00 C ATOM 637 OH TYR A 40 6.073 8.262 -4.732 1.00 0.00 O ATOM 0 H TYR A 40 9.543 6.753 1.658 1.00 0.00 H new ATOM 0 HA TYR A 40 7.631 8.864 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.885 5.916 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.276 6.423 1.131 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.166 9.113 -0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.564 5.285 -1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.680 9.768 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.076 5.942 -3.961 1.00 0.00 H new ATOM 0 HH TYR A 40 5.156 8.602 -4.791 1.00 0.00 H new ATOM 647 N ARG A 41 7.838 7.880 3.841 1.00 0.00 N ATOM 648 CA ARG A 41 7.213 7.970 5.193 1.00 0.00 C ATOM 649 C ARG A 41 7.171 9.428 5.659 1.00 0.00 C ATOM 650 O ARG A 41 6.931 9.711 6.816 1.00 0.00 O ATOM 651 CB ARG A 41 8.026 7.139 6.189 1.00 0.00 C ATOM 652 CG ARG A 41 9.418 7.753 6.354 1.00 0.00 C ATOM 653 CD ARG A 41 10.113 7.122 7.563 1.00 0.00 C ATOM 654 NE ARG A 41 9.455 7.591 8.815 1.00 0.00 N ATOM 655 CZ ARG A 41 9.302 6.771 9.819 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.027 5.688 9.891 1.00 0.00 N ATOM 657 NH2 ARG A 41 8.427 7.034 10.749 1.00 0.00 N ATOM 0 H ARG A 41 8.837 7.676 3.836 1.00 0.00 H new ATOM 0 HA ARG A 41 6.195 7.585 5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.516 7.105 7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.110 6.111 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.009 7.587 5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.338 8.832 6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.063 6.035 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.169 7.393 7.571 1.00 0.00 H new ATOM 0 HE ARG A 41 9.124 8.553 8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.712 5.483 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.909 5.046 10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.861 7.881 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.308 6.393 11.533 1.00 0.00 H new ATOM 671 N THR A 42 7.398 10.358 4.774 1.00 0.00 N ATOM 672 CA THR A 42 7.361 11.791 5.182 1.00 0.00 C ATOM 673 C THR A 42 7.674 12.677 3.976 1.00 0.00 C ATOM 674 O THR A 42 8.501 13.564 4.045 1.00 0.00 O ATOM 675 CB THR A 42 8.398 12.034 6.282 1.00 0.00 C ATOM 676 OG1 THR A 42 8.598 13.432 6.438 1.00 0.00 O ATOM 677 CG2 THR A 42 9.718 11.368 5.899 1.00 0.00 C ATOM 0 H THR A 42 7.607 10.190 3.790 1.00 0.00 H new ATOM 0 HA THR A 42 6.368 12.036 5.559 1.00 0.00 H new ATOM 0 HB THR A 42 8.040 11.609 7.220 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.145 13.769 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.455 11.542 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.563 10.296 5.778 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.080 11.790 4.961 1.00 0.00 H new ATOM 685 N ALA A 43 7.018 12.449 2.871 1.00 0.00 N ATOM 686 CA ALA A 43 7.280 13.282 1.666 1.00 0.00 C ATOM 687 C ALA A 43 6.364 12.838 0.524 1.00 0.00 C ATOM 688 O ALA A 43 6.816 12.363 -0.499 1.00 0.00 O ATOM 689 CB ALA A 43 8.739 13.113 1.242 1.00 0.00 C ATOM 0 H ALA A 43 6.313 11.722 2.752 1.00 0.00 H new ATOM 0 HA ALA A 43 7.084 14.329 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.934 13.722 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.393 13.431 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.931 12.066 1.010 1.00 0.00 H new ATOM 695 N ASP A 44 5.077 12.995 0.686 1.00 0.00 N ATOM 696 CA ASP A 44 4.139 12.586 -0.397 1.00 0.00 C ATOM 697 C ASP A 44 4.241 13.585 -1.553 1.00 0.00 C ATOM 698 O ASP A 44 3.705 14.674 -1.491 1.00 0.00 O ATOM 699 CB ASP A 44 2.707 12.574 0.142 1.00 0.00 C ATOM 700 CG ASP A 44 2.357 13.956 0.695 1.00 0.00 C ATOM 701 OD1 ASP A 44 2.826 14.277 1.774 1.00 0.00 O ATOM 702 OD2 ASP A 44 1.624 14.670 0.030 1.00 0.00 O ATOM 0 H ASP A 44 4.637 13.387 1.518 1.00 0.00 H new ATOM 0 HA ASP A 44 4.399 11.588 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.011 12.301 -0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.608 11.822 0.925 1.00 0.00 H new ATOM 707 N LYS A 45 4.930 13.232 -2.605 1.00 0.00 N ATOM 708 CA LYS A 45 5.066 14.170 -3.755 1.00 0.00 C ATOM 709 C LYS A 45 3.729 14.279 -4.492 1.00 0.00 C ATOM 710 O LYS A 45 3.045 15.279 -4.410 1.00 0.00 O ATOM 711 CB LYS A 45 6.139 13.649 -4.711 1.00 0.00 C ATOM 712 CG LYS A 45 7.426 14.454 -4.519 1.00 0.00 C ATOM 713 CD LYS A 45 7.405 15.678 -5.437 1.00 0.00 C ATOM 714 CE LYS A 45 8.488 16.665 -4.996 1.00 0.00 C ATOM 715 NZ LYS A 45 8.192 17.143 -3.616 1.00 0.00 N ATOM 0 H LYS A 45 5.404 12.336 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 45 5.354 15.155 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.327 12.592 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.795 13.733 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.519 14.768 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.293 13.833 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.574 15.374 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.426 16.156 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.466 16.185 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.528 17.509 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.587 18.096 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.162 17.172 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.620 16.494 -2.925 1.00 0.00 H new ATOM 729 N GLY A 46 3.350 13.258 -5.213 1.00 0.00 N ATOM 730 CA GLY A 46 2.057 13.305 -5.954 1.00 0.00 C ATOM 731 C GLY A 46 1.613 11.878 -6.280 1.00 0.00 C ATOM 732 O GLY A 46 1.146 11.593 -7.366 1.00 0.00 O ATOM 0 H GLY A 46 3.880 12.393 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.298 13.807 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.171 13.882 -6.872 1.00 0.00 H new ATOM 736 N TRP A 47 1.759 10.980 -5.347 1.00 0.00 N ATOM 737 CA TRP A 47 1.352 9.570 -5.592 1.00 0.00 C ATOM 738 C TRP A 47 0.214 9.196 -4.646 1.00 0.00 C ATOM 739 O TRP A 47 -0.409 8.162 -4.785 1.00 0.00 O ATOM 740 CB TRP A 47 2.541 8.645 -5.340 1.00 0.00 C ATOM 741 CG TRP A 47 2.862 8.609 -3.878 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.328 9.655 -3.155 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.765 7.486 -2.952 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.533 9.246 -1.853 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.205 7.920 -1.678 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.348 6.147 -3.088 1.00 0.00 C ATOM 747 CZ2 TRP A 47 3.237 7.063 -0.583 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.380 5.281 -1.982 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.826 5.740 -0.736 1.00 0.00 C ATOM 0 H TRP A 47 2.145 11.164 -4.421 1.00 0.00 H new ATOM 0 HA TRP A 47 1.019 9.464 -6.624 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.312 7.640 -5.695 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.408 8.992 -5.902 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.510 10.649 -3.536 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.884 9.852 -1.111 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.003 5.785 -4.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.577 7.420 0.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.059 4.256 -2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.851 5.067 0.108 1.00 0.00 H new ATOM 760 N GLN A 48 -0.067 10.031 -3.688 1.00 0.00 N ATOM 761 CA GLN A 48 -1.167 9.722 -2.741 1.00 0.00 C ATOM 762 C GLN A 48 -2.451 9.505 -3.543 1.00 0.00 C ATOM 763 O GLN A 48 -2.958 8.406 -3.639 1.00 0.00 O ATOM 764 CB GLN A 48 -1.356 10.889 -1.768 1.00 0.00 C ATOM 765 CG GLN A 48 -0.014 11.263 -1.130 1.00 0.00 C ATOM 766 CD GLN A 48 0.432 10.143 -0.190 1.00 0.00 C ATOM 767 OE1 GLN A 48 0.387 10.291 1.015 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.865 9.019 -0.694 1.00 0.00 N ATOM 0 H GLN A 48 0.418 10.913 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.927 8.825 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.770 11.749 -2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.072 10.615 -0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.737 11.424 -1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.109 12.199 -0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.903 8.895 -1.706 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.165 8.265 -0.076 1.00 0.00 H new ATOM 777 N ASN A 49 -2.971 10.543 -4.138 1.00 0.00 N ATOM 778 CA ASN A 49 -4.211 10.393 -4.950 1.00 0.00 C ATOM 779 C ASN A 49 -3.875 9.647 -6.244 1.00 0.00 C ATOM 780 O ASN A 49 -4.704 8.968 -6.816 1.00 0.00 O ATOM 781 CB ASN A 49 -4.770 11.776 -5.290 1.00 0.00 C ATOM 782 CG ASN A 49 -6.096 11.989 -4.557 1.00 0.00 C ATOM 783 OD1 ASN A 49 -6.179 11.798 -3.360 1.00 0.00 O ATOM 784 ND2 ASN A 49 -7.144 12.382 -5.229 1.00 0.00 N ATOM 0 H ASN A 49 -2.591 11.489 -4.097 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.955 9.832 -4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.056 12.548 -5.003 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.920 11.864 -6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.032 12.529 -4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.075 12.542 -6.234 1.00 0.00 H new ATOM 791 N SER A 50 -2.660 9.772 -6.711 1.00 0.00 N ATOM 792 CA SER A 50 -2.266 9.074 -7.969 1.00 0.00 C ATOM 793 C SER A 50 -2.428 7.563 -7.791 1.00 0.00 C ATOM 794 O SER A 50 -2.619 6.837 -8.743 1.00 0.00 O ATOM 795 CB SER A 50 -0.807 9.395 -8.297 1.00 0.00 C ATOM 796 OG SER A 50 -0.625 9.363 -9.707 1.00 0.00 O ATOM 0 H SER A 50 -1.924 10.328 -6.275 1.00 0.00 H new ATOM 0 HA SER A 50 -2.905 9.413 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.542 10.378 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.147 8.673 -7.817 1.00 0.00 H new ATOM 0 HG SER A 50 0.309 9.570 -9.921 1.00 0.00 H new ATOM 802 N ILE A 51 -2.354 7.084 -6.580 1.00 0.00 N ATOM 803 CA ILE A 51 -2.509 5.623 -6.339 1.00 0.00 C ATOM 804 C ILE A 51 -3.962 5.225 -6.623 1.00 0.00 C ATOM 805 O ILE A 51 -4.233 4.416 -7.486 1.00 0.00 O ATOM 806 CB ILE A 51 -2.113 5.322 -4.876 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.723 4.680 -4.842 1.00 0.00 C ATOM 808 CG2 ILE A 51 -3.106 4.359 -4.214 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.188 5.319 -5.893 1.00 0.00 C ATOM 0 H ILE A 51 -2.192 7.645 -5.744 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.863 5.044 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.117 6.266 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.285 4.800 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.806 3.609 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.798 4.169 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.101 4.803 -4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.126 3.420 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.172 4.851 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.244 5.176 -6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.286 6.385 -5.690 1.00 0.00 H new ATOM 821 N ARG A 52 -4.895 5.789 -5.908 1.00 0.00 N ATOM 822 CA ARG A 52 -6.325 5.444 -6.141 1.00 0.00 C ATOM 823 C ARG A 52 -6.644 5.595 -7.629 1.00 0.00 C ATOM 824 O ARG A 52 -7.302 4.762 -8.222 1.00 0.00 O ATOM 825 CB ARG A 52 -7.213 6.389 -5.330 1.00 0.00 C ATOM 826 CG ARG A 52 -8.683 6.029 -5.553 1.00 0.00 C ATOM 827 CD ARG A 52 -9.563 7.204 -5.127 1.00 0.00 C ATOM 828 NE ARG A 52 -10.630 7.420 -6.143 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.871 8.622 -6.592 1.00 0.00 C ATOM 830 NH1 ARG A 52 -11.079 9.602 -5.755 1.00 0.00 N ATOM 831 NH2 ARG A 52 -10.905 8.843 -7.878 1.00 0.00 N ATOM 0 H ARG A 52 -4.729 6.475 -5.171 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.510 4.416 -5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.967 6.316 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.031 7.421 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.856 5.793 -6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.942 5.139 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.009 7.004 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.959 8.105 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.173 6.628 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.053 9.429 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.267 10.541 -6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.743 8.077 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.093 9.782 -8.229 1.00 0.00 H new ATOM 845 N HIS A 53 -6.179 6.649 -8.239 1.00 0.00 N ATOM 846 CA HIS A 53 -6.449 6.855 -9.689 1.00 0.00 C ATOM 847 C HIS A 53 -5.689 5.806 -10.502 1.00 0.00 C ATOM 848 O HIS A 53 -6.103 5.413 -11.575 1.00 0.00 O ATOM 849 CB HIS A 53 -5.977 8.252 -10.094 1.00 0.00 C ATOM 850 CG HIS A 53 -6.403 8.537 -11.508 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.497 8.894 -12.496 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.633 8.522 -12.116 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.189 9.077 -13.634 1.00 0.00 C ATOM 854 NE2 HIS A 53 -7.496 8.863 -13.459 1.00 0.00 N ATOM 0 H HIS A 53 -5.622 7.379 -7.795 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.518 6.758 -9.881 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.396 8.999 -9.419 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.892 8.319 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.566 8.282 -11.627 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.743 9.362 -14.575 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.235 8.934 -14.159 1.00 0.00 H new ATOM 862 N ASN A 54 -4.576 5.351 -9.997 1.00 0.00 N ATOM 863 CA ASN A 54 -3.780 4.329 -10.732 1.00 0.00 C ATOM 864 C ASN A 54 -4.513 2.991 -10.704 1.00 0.00 C ATOM 865 O ASN A 54 -4.387 2.186 -11.602 1.00 0.00 O ATOM 866 CB ASN A 54 -2.410 4.169 -10.066 1.00 0.00 C ATOM 867 CG ASN A 54 -1.359 4.908 -10.897 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.182 4.622 -12.064 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.650 5.851 -10.343 1.00 0.00 N ATOM 0 H ASN A 54 -4.182 5.644 -9.103 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.649 4.651 -11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.436 4.568 -9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.152 3.113 -9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.053 6.348 -10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.798 6.092 -9.363 1.00 0.00 H new ATOM 876 N LEU A 55 -5.278 2.743 -9.680 1.00 0.00 N ATOM 877 CA LEU A 55 -6.013 1.454 -9.604 1.00 0.00 C ATOM 878 C LEU A 55 -7.144 1.451 -10.636 1.00 0.00 C ATOM 879 O LEU A 55 -7.780 0.444 -10.874 1.00 0.00 O ATOM 880 CB LEU A 55 -6.600 1.288 -8.204 1.00 0.00 C ATOM 881 CG LEU A 55 -5.583 1.746 -7.159 1.00 0.00 C ATOM 882 CD1 LEU A 55 -6.051 1.309 -5.772 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.223 1.116 -7.463 1.00 0.00 C ATOM 0 H LEU A 55 -5.425 3.376 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.330 0.631 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.517 1.871 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.867 0.245 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.493 2.832 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.327 1.634 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.021 1.757 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.139 0.223 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.497 1.442 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.310 0.030 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.891 1.427 -8.454 1.00 0.00 H new ATOM 895 N SER A 56 -7.401 2.575 -11.249 1.00 0.00 N ATOM 896 CA SER A 56 -8.492 2.643 -12.261 1.00 0.00 C ATOM 897 C SER A 56 -7.936 2.328 -13.653 1.00 0.00 C ATOM 898 O SER A 56 -8.494 1.539 -14.390 1.00 0.00 O ATOM 899 CB SER A 56 -9.092 4.049 -12.263 1.00 0.00 C ATOM 900 OG SER A 56 -10.484 3.966 -11.990 1.00 0.00 O ATOM 0 H SER A 56 -6.901 3.450 -11.092 1.00 0.00 H new ATOM 0 HA SER A 56 -9.260 1.912 -12.009 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.599 4.668 -11.514 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.927 4.526 -13.229 1.00 0.00 H new ATOM 0 HG SER A 56 -10.871 4.866 -11.989 1.00 0.00 H new ATOM 906 N LEU A 57 -6.849 2.948 -14.025 1.00 0.00 N ATOM 907 CA LEU A 57 -6.269 2.696 -15.375 1.00 0.00 C ATOM 908 C LEU A 57 -5.341 1.479 -15.333 1.00 0.00 C ATOM 909 O LEU A 57 -4.971 0.939 -16.356 1.00 0.00 O ATOM 910 CB LEU A 57 -5.472 3.922 -15.822 1.00 0.00 C ATOM 911 CG LEU A 57 -6.163 5.192 -15.325 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.406 5.741 -14.116 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.168 6.239 -16.441 1.00 0.00 C ATOM 0 H LEU A 57 -6.337 3.619 -13.452 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.079 2.503 -16.078 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.456 3.871 -15.429 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.393 3.940 -16.909 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.189 4.961 -15.039 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.897 6.647 -13.760 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.400 4.995 -13.321 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.381 5.973 -14.404 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.660 7.145 -16.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.142 6.471 -16.726 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.705 5.847 -17.305 1.00 0.00 H new ATOM 925 N ASN A 58 -4.958 1.040 -14.165 1.00 0.00 N ATOM 926 CA ASN A 58 -4.053 -0.141 -14.087 1.00 0.00 C ATOM 927 C ASN A 58 -4.784 -1.373 -14.621 1.00 0.00 C ATOM 928 O ASN A 58 -5.998 -1.431 -14.631 1.00 0.00 O ATOM 929 CB ASN A 58 -3.627 -0.389 -12.638 1.00 0.00 C ATOM 930 CG ASN A 58 -2.412 0.479 -12.303 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.522 0.051 -11.595 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.334 1.689 -12.786 1.00 0.00 N ATOM 0 H ASN A 58 -5.230 1.444 -13.269 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.164 0.052 -14.687 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.450 -0.157 -11.962 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.385 -1.442 -12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.527 2.274 -12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.080 2.050 -13.380 1.00 0.00 H new ATOM 939 N ARG A 59 -4.055 -2.354 -15.076 1.00 0.00 N ATOM 940 CA ARG A 59 -4.707 -3.576 -15.623 1.00 0.00 C ATOM 941 C ARG A 59 -4.911 -4.615 -14.517 1.00 0.00 C ATOM 942 O ARG A 59 -5.783 -5.455 -14.604 1.00 0.00 O ATOM 943 CB ARG A 59 -3.823 -4.173 -16.719 1.00 0.00 C ATOM 944 CG ARG A 59 -3.180 -3.041 -17.522 1.00 0.00 C ATOM 945 CD ARG A 59 -3.206 -3.394 -19.012 1.00 0.00 C ATOM 946 NE ARG A 59 -3.997 -2.370 -19.752 1.00 0.00 N ATOM 947 CZ ARG A 59 -5.110 -2.706 -20.344 1.00 0.00 C ATOM 948 NH1 ARG A 59 -5.089 -3.163 -21.566 1.00 0.00 N ATOM 949 NH2 ARG A 59 -6.247 -2.583 -19.714 1.00 0.00 N ATOM 0 H ARG A 59 -3.035 -2.362 -15.093 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.679 -3.303 -16.034 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.052 -4.804 -16.277 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.417 -4.808 -17.376 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.716 -2.108 -17.349 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.153 -2.885 -17.192 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.190 -3.437 -19.404 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.645 -4.381 -19.155 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.668 -1.406 -19.796 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.202 -3.258 -22.060 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.960 -3.425 -22.027 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.265 -2.224 -18.759 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.117 -2.846 -20.177 1.00 0.00 H new ATOM 963 N TYR A 60 -4.116 -4.578 -13.481 1.00 0.00 N ATOM 964 CA TYR A 60 -4.288 -5.586 -12.396 1.00 0.00 C ATOM 965 C TYR A 60 -4.695 -4.903 -11.093 1.00 0.00 C ATOM 966 O TYR A 60 -4.181 -5.211 -10.037 1.00 0.00 O ATOM 967 CB TYR A 60 -2.990 -6.364 -12.162 1.00 0.00 C ATOM 968 CG TYR A 60 -1.785 -5.558 -12.597 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.602 -5.250 -13.948 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.839 -5.142 -11.653 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.480 -4.521 -14.358 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.287 -4.416 -12.063 1.00 0.00 C ATOM 973 CZ TYR A 60 0.466 -4.105 -13.416 1.00 0.00 C ATOM 974 OH TYR A 60 1.575 -3.389 -13.819 1.00 0.00 O ATOM 0 H TYR A 60 -3.365 -3.903 -13.340 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.070 -6.277 -12.709 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.900 -6.617 -11.106 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.021 -7.304 -12.714 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.329 -5.576 -14.678 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.977 -5.381 -10.609 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.345 -4.280 -15.402 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.017 -4.096 -11.335 1.00 0.00 H new ATOM 0 HH TYR A 60 2.130 -3.178 -13.039 1.00 0.00 H new ATOM 984 N PHE A 61 -5.623 -3.993 -11.148 1.00 0.00 N ATOM 985 CA PHE A 61 -6.063 -3.317 -9.900 1.00 0.00 C ATOM 986 C PHE A 61 -7.546 -2.995 -10.002 1.00 0.00 C ATOM 987 O PHE A 61 -7.951 -2.011 -10.590 1.00 0.00 O ATOM 988 CB PHE A 61 -5.246 -2.048 -9.683 1.00 0.00 C ATOM 989 CG PHE A 61 -3.879 -2.453 -9.200 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.638 -2.614 -7.833 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.853 -2.685 -10.120 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.376 -3.008 -7.393 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.594 -3.077 -9.678 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.354 -3.240 -8.314 1.00 0.00 C ATOM 0 H PHE A 61 -6.095 -3.689 -12.000 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.903 -3.975 -9.046 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.170 -1.480 -10.610 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.732 -1.402 -8.953 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.428 -2.433 -7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.038 -2.560 -11.177 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.189 -3.134 -6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.802 -3.255 -10.391 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.377 -3.546 -7.971 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.356 -3.840 -9.440 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.829 -3.627 -9.497 1.00 0.00 C ATOM 1006 C ILE A 62 -10.341 -3.190 -8.125 1.00 0.00 C ATOM 1007 O ILE A 62 -9.686 -3.372 -7.121 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.507 -4.938 -9.897 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.282 -5.979 -8.798 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.906 -5.453 -11.206 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.877 -7.318 -9.235 1.00 0.00 C ATOM 0 H ILE A 62 -8.061 -4.678 -8.938 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.057 -2.852 -10.229 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.575 -4.765 -10.032 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.216 -6.090 -8.600 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.746 -5.649 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.392 -6.387 -11.487 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.059 -4.714 -11.992 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.838 -5.626 -11.073 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.717 -8.060 -8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.946 -7.201 -9.411 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.392 -7.649 -10.153 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.513 -2.619 -8.073 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.067 -2.177 -6.763 1.00 0.00 C ATOM 1025 C LYS A 63 -13.425 -2.841 -6.538 1.00 0.00 C ATOM 1026 O LYS A 63 -14.229 -2.950 -7.442 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.236 -0.656 -6.766 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.201 -0.137 -5.327 1.00 0.00 C ATOM 1029 CD LYS A 63 -13.356 0.844 -5.111 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.795 2.222 -4.754 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.077 3.175 -5.866 1.00 0.00 N ATOM 0 H LYS A 63 -12.110 -2.440 -8.880 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.384 -2.463 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.442 -0.192 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.180 -0.385 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.280 -0.969 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.249 0.356 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.965 0.910 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.006 0.486 -4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.246 2.582 -3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.721 2.156 -4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.696 4.112 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.627 2.833 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.104 3.245 -6.011 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.688 -3.290 -5.342 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.996 -3.948 -5.070 1.00 0.00 C ATOM 1047 C VAL A 64 -16.120 -2.906 -5.174 1.00 0.00 C ATOM 1048 O VAL A 64 -16.066 -1.881 -4.526 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.980 -4.541 -3.662 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.865 -5.583 -3.560 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -14.731 -3.428 -2.643 1.00 0.00 C ATOM 0 H VAL A 64 -13.056 -3.230 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.166 -4.742 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.940 -5.014 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.853 -6.006 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.041 -6.377 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.905 -5.110 -3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.720 -3.850 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.771 -2.955 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.525 -2.685 -2.715 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.632 -1.633 -0.625 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.349 -2.388 -0.544 1.00 0.00 C ATOM 1220 C PHE A 76 -10.691 -2.449 -1.925 1.00 0.00 C ATOM 1221 O PHE A 76 -11.224 -3.022 -2.856 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.624 -3.810 -0.050 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.815 -4.077 1.196 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.482 -3.655 1.269 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.398 -4.749 2.278 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.732 -3.903 2.424 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.647 -4.997 3.433 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.314 -4.575 3.507 1.00 0.00 C ATOM 0 HA PHE A 76 -10.680 -1.881 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.686 -3.934 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.366 -4.532 -0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.033 -3.138 0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.426 -5.075 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.704 -3.576 2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -11.096 -5.514 4.268 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.735 -4.767 4.398 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.529 -1.869 -2.058 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.818 -1.897 -3.367 1.00 0.00 C ATOM 1240 C TRP A 77 -8.037 -3.207 -3.479 1.00 0.00 C ATOM 1241 O TRP A 77 -7.372 -3.612 -2.551 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.841 -0.724 -3.435 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.428 0.368 -4.264 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.751 1.600 -3.811 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.763 0.349 -5.679 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -9.261 2.341 -4.861 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -9.287 1.613 -6.034 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.661 -0.633 -6.679 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -9.696 1.893 -7.337 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -9.069 -0.355 -7.991 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -9.585 0.906 -8.319 1.00 0.00 C ATOM 0 H TRP A 77 -9.040 -1.375 -1.312 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.538 -1.822 -4.182 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.627 -0.357 -2.431 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.894 -1.051 -3.864 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.630 1.948 -2.796 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.579 3.307 -4.779 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.266 -1.608 -6.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.095 2.865 -7.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.985 -1.116 -8.753 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.897 1.115 -9.332 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.109 -3.875 -4.600 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.364 -5.161 -4.742 1.00 0.00 C ATOM 1264 C ARG A 78 -6.838 -5.320 -6.171 1.00 0.00 C ATOM 1265 O ARG A 78 -7.160 -4.549 -7.054 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.303 -6.325 -4.426 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.664 -6.081 -5.081 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.552 -7.310 -4.884 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.664 -7.286 -5.877 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.287 -8.390 -6.189 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.034 -9.493 -5.537 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.163 -8.392 -7.157 1.00 0.00 N ATOM 0 H ARG A 78 -8.647 -3.589 -5.418 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.521 -5.157 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.875 -7.259 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.421 -6.428 -3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.138 -5.203 -4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.537 -5.878 -6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.963 -8.220 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.955 -7.322 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.938 -6.406 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.348 -9.493 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.522 -10.354 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.360 -7.532 -7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.650 -9.254 -7.402 1.00 0.00 H new ATOM 1286 N ILE A 79 -6.034 -6.326 -6.402 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.488 -6.551 -7.775 1.00 0.00 C ATOM 1288 C ILE A 79 -6.134 -7.795 -8.382 1.00 0.00 C ATOM 1289 O ILE A 79 -6.911 -8.477 -7.743 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.972 -6.740 -7.710 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.645 -8.094 -7.061 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.375 -5.611 -6.884 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.212 -8.088 -6.509 1.00 0.00 C ATOM 0 H ILE A 79 -5.732 -7.001 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.712 -5.684 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.551 -6.723 -8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.351 -8.299 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.756 -8.893 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.293 -5.733 -6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.609 -4.655 -7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.794 -5.635 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.994 -9.053 -6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.510 -7.904 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.114 -7.302 -5.760 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.823 -8.094 -9.611 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.426 -9.293 -10.258 1.00 0.00 C ATOM 1307 C ASP A 80 -6.069 -10.541 -9.446 1.00 0.00 C ATOM 1308 O ASP A 80 -5.188 -10.502 -8.609 1.00 0.00 O ATOM 1309 CB ASP A 80 -5.883 -9.433 -11.680 1.00 0.00 C ATOM 1310 CG ASP A 80 -6.735 -8.597 -12.637 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -7.942 -8.579 -12.463 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -6.164 -7.988 -13.527 1.00 0.00 O ATOM 0 H ASP A 80 -5.179 -7.562 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.510 -9.182 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.845 -9.103 -11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.896 -10.480 -11.984 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.777 -11.609 -9.708 1.00 0.00 N ATOM 1318 CA PRO A 81 -6.574 -12.889 -9.004 1.00 0.00 C ATOM 1319 C PRO A 81 -5.340 -13.637 -9.526 1.00 0.00 C ATOM 1320 O PRO A 81 -4.348 -13.768 -8.837 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.856 -13.670 -9.310 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.449 -13.053 -10.599 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.848 -11.640 -10.729 1.00 0.00 C ATOM 0 HA PRO A 81 -6.395 -12.753 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.641 -14.729 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.563 -13.595 -8.483 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.201 -13.661 -11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.537 -13.007 -10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.451 -11.466 -11.729 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.597 -10.870 -10.545 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.399 -14.151 -10.725 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.237 -14.917 -11.267 1.00 0.00 C ATOM 1333 C ALA A 82 -3.238 -13.983 -11.955 1.00 0.00 C ATOM 1334 O ALA A 82 -2.398 -14.418 -12.718 1.00 0.00 O ATOM 1335 CB ALA A 82 -4.743 -15.946 -12.274 1.00 0.00 C ATOM 0 H ALA A 82 -6.199 -14.074 -11.353 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.730 -15.414 -10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.900 -16.509 -12.674 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.434 -16.629 -11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.257 -15.436 -13.088 1.00 0.00 H new ATOM 1341 N SER A 83 -3.301 -12.714 -11.684 1.00 0.00 N ATOM 1342 CA SER A 83 -2.330 -11.777 -12.315 1.00 0.00 C ATOM 1343 C SER A 83 -1.296 -11.365 -11.273 1.00 0.00 C ATOM 1344 O SER A 83 -0.343 -10.684 -11.573 1.00 0.00 O ATOM 1345 CB SER A 83 -3.054 -10.530 -12.822 1.00 0.00 C ATOM 1346 OG SER A 83 -4.346 -10.891 -13.290 1.00 0.00 O ATOM 0 H SER A 83 -3.979 -12.283 -11.056 1.00 0.00 H new ATOM 0 HA SER A 83 -1.845 -12.273 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.138 -9.794 -12.022 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.481 -10.065 -13.624 1.00 0.00 H new ATOM 0 HG SER A 83 -4.616 -10.281 -14.007 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.478 -11.771 -10.046 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.508 -11.390 -8.986 1.00 0.00 C ATOM 1354 C GLU A 84 0.889 -11.894 -9.349 1.00 0.00 C ATOM 1355 O GLU A 84 1.788 -11.114 -9.579 1.00 0.00 O ATOM 1356 CB GLU A 84 -0.942 -12.009 -7.652 1.00 0.00 C ATOM 1357 CG GLU A 84 -2.118 -11.220 -7.075 1.00 0.00 C ATOM 1358 CD GLU A 84 -3.229 -12.185 -6.652 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -3.072 -13.374 -6.874 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -4.217 -11.717 -6.112 1.00 0.00 O ATOM 0 H GLU A 84 -2.257 -12.350 -9.734 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.484 -10.304 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.228 -13.050 -7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.109 -12.004 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.788 -10.632 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.496 -10.518 -7.818 1.00 0.00 H new ATOM 1367 N ALA A 85 1.082 -13.186 -9.397 1.00 0.00 N ATOM 1368 CA ALA A 85 2.431 -13.732 -9.732 1.00 0.00 C ATOM 1369 C ALA A 85 3.077 -12.900 -10.843 1.00 0.00 C ATOM 1370 O ALA A 85 4.285 -12.811 -10.939 1.00 0.00 O ATOM 1371 CB ALA A 85 2.294 -15.183 -10.195 1.00 0.00 C ATOM 0 H ALA A 85 0.363 -13.887 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 85 3.062 -13.688 -8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.279 -15.581 -10.440 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.849 -15.779 -9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.656 -15.224 -11.078 1.00 0.00 H new ATOM 1377 N LYS A 86 2.288 -12.288 -11.682 1.00 0.00 N ATOM 1378 CA LYS A 86 2.872 -11.465 -12.776 1.00 0.00 C ATOM 1379 C LYS A 86 3.269 -10.091 -12.229 1.00 0.00 C ATOM 1380 O LYS A 86 4.424 -9.713 -12.258 1.00 0.00 O ATOM 1381 CB LYS A 86 1.844 -11.295 -13.895 1.00 0.00 C ATOM 1382 CG LYS A 86 2.571 -11.147 -15.234 1.00 0.00 C ATOM 1383 CD LYS A 86 1.930 -10.015 -16.040 1.00 0.00 C ATOM 1384 CE LYS A 86 2.230 -8.675 -15.364 1.00 0.00 C ATOM 1385 NZ LYS A 86 3.009 -7.812 -16.295 1.00 0.00 N ATOM 0 H LYS A 86 1.269 -12.322 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 86 3.756 -11.965 -13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.176 -12.156 -13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.225 -10.418 -13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.627 -10.935 -15.065 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.519 -12.081 -15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.317 -10.015 -17.059 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.853 -10.167 -16.108 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.300 -8.180 -15.085 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.793 -8.837 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.213 -6.901 -15.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.903 -8.284 -16.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.456 -7.647 -17.160 1.00 0.00 H new ATOM 1399 N LEU A 87 2.325 -9.331 -11.740 1.00 0.00 N ATOM 1400 CA LEU A 87 2.664 -7.981 -11.209 1.00 0.00 C ATOM 1401 C LEU A 87 3.741 -8.092 -10.140 1.00 0.00 C ATOM 1402 O LEU A 87 4.830 -7.573 -10.279 1.00 0.00 O ATOM 1403 CB LEU A 87 1.429 -7.298 -10.596 1.00 0.00 C ATOM 1404 CG LEU A 87 0.424 -8.329 -10.059 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.045 -7.983 -8.622 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -0.848 -8.285 -10.902 1.00 0.00 C ATOM 0 H LEU A 87 1.339 -9.586 -11.686 1.00 0.00 H new ATOM 0 HA LEU A 87 3.025 -7.381 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.741 -6.637 -9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.946 -6.675 -11.348 1.00 0.00 H new ATOM 0 HG LEU A 87 0.880 -9.318 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.668 -8.717 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.938 -7.993 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.407 -6.991 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.562 -9.016 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.286 -7.288 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.606 -8.519 -11.939 1.00 0.00 H new ATOM 1418 N VAL A 88 3.432 -8.743 -9.068 1.00 0.00 N ATOM 1419 CA VAL A 88 4.412 -8.878 -7.966 1.00 0.00 C ATOM 1420 C VAL A 88 5.806 -9.184 -8.509 1.00 0.00 C ATOM 1421 O VAL A 88 6.804 -8.891 -7.881 1.00 0.00 O ATOM 1422 CB VAL A 88 3.990 -10.033 -7.099 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.706 -9.684 -6.343 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.754 -11.247 -7.994 1.00 0.00 C ATOM 0 H VAL A 88 2.532 -9.194 -8.903 1.00 0.00 H new ATOM 0 HA VAL A 88 4.443 -7.942 -7.407 1.00 0.00 H new ATOM 0 HB VAL A 88 4.769 -10.252 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.410 -10.527 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.880 -8.811 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.912 -9.465 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.447 -12.096 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.971 -11.019 -8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.675 -11.495 -8.522 1.00 0.00 H new ATOM 1434 N GLU A 89 5.885 -9.793 -9.653 1.00 0.00 N ATOM 1435 CA GLU A 89 7.222 -10.138 -10.213 1.00 0.00 C ATOM 1436 C GLU A 89 8.080 -8.876 -10.256 1.00 0.00 C ATOM 1437 O GLU A 89 9.189 -8.851 -9.759 1.00 0.00 O ATOM 1438 CB GLU A 89 7.057 -10.698 -11.626 1.00 0.00 C ATOM 1439 CG GLU A 89 8.053 -11.838 -11.844 1.00 0.00 C ATOM 1440 CD GLU A 89 8.851 -11.584 -13.124 1.00 0.00 C ATOM 1441 OE1 GLU A 89 8.285 -11.030 -14.051 1.00 0.00 O ATOM 1442 OE2 GLU A 89 10.015 -11.946 -13.155 1.00 0.00 O ATOM 0 H GLU A 89 5.087 -10.068 -10.226 1.00 0.00 H new ATOM 0 HA GLU A 89 7.703 -10.889 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.038 -11.059 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.222 -9.911 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.728 -11.913 -10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.524 -12.788 -11.916 1.00 0.00 H new ATOM 1449 N GLN A 90 7.575 -7.822 -10.828 1.00 0.00 N ATOM 1450 CA GLN A 90 8.362 -6.561 -10.877 1.00 0.00 C ATOM 1451 C GLN A 90 8.139 -5.785 -9.574 1.00 0.00 C ATOM 1452 O GLN A 90 8.743 -4.757 -9.342 1.00 0.00 O ATOM 1453 CB GLN A 90 7.899 -5.717 -12.068 1.00 0.00 C ATOM 1454 CG GLN A 90 8.588 -6.214 -13.340 1.00 0.00 C ATOM 1455 CD GLN A 90 9.969 -5.565 -13.459 1.00 0.00 C ATOM 1456 OE1 GLN A 90 10.389 -4.840 -12.579 1.00 0.00 O ATOM 1457 NE2 GLN A 90 10.697 -5.799 -14.516 1.00 0.00 N ATOM 0 H GLN A 90 6.653 -7.778 -11.263 1.00 0.00 H new ATOM 0 HA GLN A 90 9.422 -6.788 -10.991 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.817 -5.785 -12.177 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.137 -4.667 -11.898 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.686 -7.299 -13.313 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.983 -5.970 -14.213 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.344 -6.408 -15.254 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.620 -5.373 -14.604 1.00 0.00 H new ATOM 1466 N ALA A 91 7.270 -6.270 -8.722 1.00 0.00 N ATOM 1467 CA ALA A 91 7.002 -5.562 -7.436 1.00 0.00 C ATOM 1468 C ALA A 91 8.177 -5.752 -6.475 1.00 0.00 C ATOM 1469 O ALA A 91 8.534 -4.856 -5.735 1.00 0.00 O ATOM 1470 CB ALA A 91 5.725 -6.107 -6.800 1.00 0.00 C ATOM 0 H ALA A 91 6.735 -7.127 -8.863 1.00 0.00 H new ATOM 0 HA ALA A 91 6.878 -4.498 -7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.535 -5.586 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.886 -5.951 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.842 -7.173 -6.606 1.00 0.00 H new ATOM 1476 N PHE A 92 8.780 -6.908 -6.473 1.00 0.00 N ATOM 1477 CA PHE A 92 9.926 -7.142 -5.549 1.00 0.00 C ATOM 1478 C PHE A 92 11.227 -6.680 -6.211 1.00 0.00 C ATOM 1479 O PHE A 92 12.291 -6.760 -5.628 1.00 0.00 O ATOM 1480 CB PHE A 92 10.026 -8.632 -5.224 1.00 0.00 C ATOM 1481 CG PHE A 92 8.708 -9.120 -4.674 1.00 0.00 C ATOM 1482 CD1 PHE A 92 7.932 -8.281 -3.864 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.262 -10.412 -4.974 1.00 0.00 C ATOM 1484 CE1 PHE A 92 6.710 -8.736 -3.354 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.040 -10.867 -4.464 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.265 -10.028 -3.653 1.00 0.00 C ATOM 0 H PHE A 92 8.531 -7.698 -7.068 1.00 0.00 H new ATOM 0 HA PHE A 92 9.766 -6.577 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.287 -9.193 -6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 92 10.820 -8.804 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.276 -7.284 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.860 -11.058 -5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.111 -8.089 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.695 -11.864 -4.696 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.323 -10.379 -3.258 1.00 0.00 H new ATOM 1496 N ARG A 93 11.157 -6.198 -7.423 1.00 0.00 N ATOM 1497 CA ARG A 93 12.397 -5.737 -8.110 1.00 0.00 C ATOM 1498 C ARG A 93 12.390 -4.212 -8.217 1.00 0.00 C ATOM 1499 O ARG A 93 11.599 -3.538 -7.586 1.00 0.00 O ATOM 1500 CB ARG A 93 12.466 -6.348 -9.511 1.00 0.00 C ATOM 1501 CG ARG A 93 13.605 -7.369 -9.566 1.00 0.00 C ATOM 1502 CD ARG A 93 13.023 -8.783 -9.622 1.00 0.00 C ATOM 1503 NE ARG A 93 13.371 -9.517 -8.373 1.00 0.00 N ATOM 1504 CZ ARG A 93 14.522 -10.125 -8.272 1.00 0.00 C ATOM 1505 NH1 ARG A 93 14.747 -11.214 -8.953 1.00 0.00 N ATOM 1506 NH2 ARG A 93 15.449 -9.643 -7.488 1.00 0.00 N ATOM 0 H ARG A 93 10.298 -6.104 -7.965 1.00 0.00 H new ATOM 0 HA ARG A 93 13.266 -6.054 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.519 -6.829 -9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.628 -5.566 -10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 93 14.229 -7.186 -10.441 1.00 0.00 H new ATOM 0 HG3 ARG A 93 14.245 -7.263 -8.690 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.940 -8.737 -9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.415 -9.314 -10.489 1.00 0.00 H new ATOM 0 HE ARG A 93 12.710 -9.545 -7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.024 -11.591 -9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.646 -11.688 -8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.274 -8.791 -6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.348 -10.118 -7.409 1.00 0.00 H new ATOM 1520 N LYS A 94 13.269 -3.660 -9.006 1.00 0.00 N ATOM 1521 CA LYS A 94 13.319 -2.178 -9.150 1.00 0.00 C ATOM 1522 C LYS A 94 12.743 -1.773 -10.509 1.00 0.00 C ATOM 1523 O LYS A 94 13.431 -1.776 -11.511 1.00 0.00 O ATOM 1524 CB LYS A 94 14.769 -1.703 -9.049 1.00 0.00 C ATOM 1525 CG LYS A 94 14.996 -1.033 -7.692 1.00 0.00 C ATOM 1526 CD LYS A 94 15.947 0.154 -7.862 1.00 0.00 C ATOM 1527 CE LYS A 94 15.243 1.441 -7.430 1.00 0.00 C ATOM 1528 NZ LYS A 94 16.222 2.564 -7.427 1.00 0.00 N ATOM 0 H LYS A 94 13.956 -4.172 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 94 12.730 -1.719 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.448 -2.547 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.989 -1.002 -9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.046 -0.695 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 94 15.415 -1.750 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.846 0.001 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.265 0.233 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.420 1.664 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.812 1.317 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.745 3.440 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.993 2.351 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.613 2.686 -8.383 1.00 0.00 H new