USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 492 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 34 TYR OH : rot -140:sc= 0.413 USER MOD Set 1.2: A 72 MET CE :methyl -168:sc= -0.686 (180deg=-0.218) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.371 X(o=0.2,f=0.67) USER MOD Set 2.2: A 56 GLN : amide:sc= -0.169 X(o=0.2,f=0.67) USER MOD Set 3.1: A 19 GLN :FLIP amide:sc= 0.345 X(o=-0.06,f=0.28) USER MOD Set 3.2: A 20 GLN :FLIP amide:sc= -0.0601 F(o=-0.24,f=0.28) USER MOD Set 3.3: A 50 ASN : amide:sc= 0 K(o=0.28,f=-4.3!) USER MOD Single : A 14 TYR OH : rot 120:sc= -0.43 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -27:sc= 0.339 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -170:sc= -0.924 (180deg=-1.07) USER MOD Single : A 30 MET CE :methyl 178:sc= -0.06 (180deg=-0.0722) USER MOD Single : A 38 SER OG : rot -65:sc= 0.242 USER MOD Single : A 47 GLN :FLIP amide:sc= -2.62 F(o=-5.9!,f=-2.6) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.0024) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -154:sc= 0.629 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00649 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.345 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.808 F(o=-1.9,f=-0.81) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.194 F(o=-0.94,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.162 4.404 -5.845 1.00 0.00 N ATOM 2 CA TYR A 14 -11.264 5.107 -4.892 1.00 0.00 C ATOM 3 C TYR A 14 -9.805 4.673 -5.156 1.00 0.00 C ATOM 4 O TYR A 14 -8.857 5.446 -4.965 1.00 0.00 O ATOM 5 CB TYR A 14 -11.687 4.783 -3.424 1.00 0.00 C ATOM 6 CG TYR A 14 -10.687 5.209 -2.324 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.454 6.558 -2.036 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.962 4.253 -1.593 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.551 6.934 -1.057 1.00 0.00 C ATOM 10 CE2 TYR A 14 -9.061 4.627 -0.616 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.853 5.965 -0.354 1.00 0.00 C ATOM 12 OH TYR A 14 -7.945 6.342 0.615 1.00 0.00 O ATOM 0 HA TYR A 14 -11.342 6.185 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.643 5.268 -3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.851 3.709 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.988 7.319 -2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.113 3.204 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.391 7.980 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.521 3.875 -0.059 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.216 5.970 1.480 1.00 0.00 H new ATOM 22 N GLY A 15 -9.674 3.422 -5.632 1.00 0.00 N ATOM 23 CA GLY A 15 -8.404 2.854 -6.039 1.00 0.00 C ATOM 24 C GLY A 15 -7.783 3.545 -7.239 1.00 0.00 C ATOM 25 O GLY A 15 -6.559 3.584 -7.362 1.00 0.00 O ATOM 0 H GLY A 15 -10.461 2.782 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.708 2.905 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.546 1.799 -6.272 1.00 0.00 H new ATOM 29 N GLU A 16 -8.628 4.088 -8.132 1.00 0.00 N ATOM 30 CA GLU A 16 -8.153 4.877 -9.280 1.00 0.00 C ATOM 31 C GLU A 16 -7.591 6.223 -8.785 1.00 0.00 C ATOM 32 O GLU A 16 -6.545 6.668 -9.254 1.00 0.00 O ATOM 33 CB GLU A 16 -9.283 5.127 -10.308 1.00 0.00 C ATOM 34 CG GLU A 16 -8.796 5.755 -11.646 1.00 0.00 C ATOM 35 CD GLU A 16 -9.916 6.373 -12.504 1.00 0.00 C ATOM 36 OE1 GLU A 16 -10.904 5.678 -12.802 1.00 0.00 O ATOM 37 OE2 GLU A 16 -9.820 7.568 -12.867 1.00 0.00 O ATOM 0 H GLU A 16 -9.642 3.995 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.369 4.308 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.780 4.181 -10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.028 5.785 -9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.058 6.526 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.289 4.987 -12.230 1.00 0.00 H new ATOM 44 N TYR A 17 -8.301 6.846 -7.812 1.00 0.00 N ATOM 45 CA TYR A 17 -7.904 8.142 -7.223 1.00 0.00 C ATOM 46 C TYR A 17 -6.518 8.048 -6.555 1.00 0.00 C ATOM 47 O TYR A 17 -5.639 8.880 -6.824 1.00 0.00 O ATOM 48 CB TYR A 17 -8.971 8.620 -6.191 1.00 0.00 C ATOM 49 CG TYR A 17 -8.485 9.766 -5.278 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.271 11.053 -5.783 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.195 9.545 -3.924 1.00 0.00 C ATOM 52 CE1 TYR A 17 -7.791 12.068 -4.981 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.706 10.558 -3.123 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.513 11.820 -3.652 1.00 0.00 C ATOM 55 OH TYR A 17 -7.023 12.835 -2.854 1.00 0.00 O ATOM 0 H TYR A 17 -9.160 6.464 -7.417 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.842 8.873 -8.029 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -9.861 8.948 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.267 7.774 -5.570 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.486 11.256 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.357 8.565 -3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.633 13.054 -5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.475 10.365 -2.086 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.881 12.497 -1.945 1.00 0.00 H new ATOM 65 N VAL A 18 -6.330 7.018 -5.705 1.00 0.00 N ATOM 66 CA VAL A 18 -5.053 6.798 -5.008 1.00 0.00 C ATOM 67 C VAL A 18 -3.937 6.468 -6.018 1.00 0.00 C ATOM 68 O VAL A 18 -2.817 6.950 -5.875 1.00 0.00 O ATOM 69 CB VAL A 18 -5.141 5.724 -3.858 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.146 6.160 -2.766 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.484 4.326 -4.394 1.00 0.00 C ATOM 0 H VAL A 18 -7.048 6.327 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.803 7.733 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.151 5.660 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.187 5.401 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.825 7.108 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.135 6.279 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.533 3.620 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.448 4.357 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.714 4.007 -5.097 1.00 0.00 H new ATOM 81 N GLN A 19 -4.292 5.716 -7.085 1.00 0.00 N ATOM 82 CA GLN A 19 -3.363 5.353 -8.179 1.00 0.00 C ATOM 83 C GLN A 19 -2.716 6.608 -8.804 1.00 0.00 C ATOM 84 O GLN A 19 -1.567 6.554 -9.243 1.00 0.00 O ATOM 85 CB GLN A 19 -4.123 4.486 -9.238 1.00 0.00 C ATOM 86 CG GLN A 19 -3.298 3.962 -10.447 1.00 0.00 C ATOM 87 CD GLN A 19 -3.365 4.859 -11.695 1.00 0.00 C ATOM 88 OE1 GLN A 19 -4.341 4.610 -12.563 1.00 0.00 O flip ATOM 89 NE2 GLN A 19 -2.547 5.763 -11.878 1.00 0.00 N flip ATOM 0 H GLN A 19 -5.233 5.343 -7.211 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.544 4.758 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.555 3.627 -8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.954 5.076 -9.625 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.256 3.859 -10.144 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.654 2.966 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.809 5.930 -11.194 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.608 6.344 -12.714 1.00 0.00 H new ATOM 98 N GLN A 20 -3.453 7.735 -8.801 1.00 0.00 N ATOM 99 CA GLN A 20 -2.949 9.020 -9.321 1.00 0.00 C ATOM 100 C GLN A 20 -2.049 9.716 -8.280 1.00 0.00 C ATOM 101 O GLN A 20 -0.904 10.080 -8.573 1.00 0.00 O ATOM 102 CB GLN A 20 -4.124 9.973 -9.711 1.00 0.00 C ATOM 103 CG GLN A 20 -5.285 9.297 -10.464 1.00 0.00 C ATOM 104 CD GLN A 20 -4.858 8.508 -11.704 1.00 0.00 C ATOM 105 OE1 GLN A 20 -5.534 7.397 -11.956 1.00 0.00 O flip ATOM 106 NE2 GLN A 20 -3.917 8.873 -12.410 1.00 0.00 N flip ATOM 0 H GLN A 20 -4.406 7.781 -8.441 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.363 8.802 -10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.517 10.432 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.729 10.779 -10.330 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.803 8.624 -9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.002 10.061 -10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.417 9.734 -12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.638 8.314 -13.216 1.00 0.00 H new ATOM 115 N THR A 21 -2.584 9.874 -7.054 1.00 0.00 N ATOM 116 CA THR A 21 -1.994 10.752 -6.015 1.00 0.00 C ATOM 117 C THR A 21 -0.844 10.076 -5.219 1.00 0.00 C ATOM 118 O THR A 21 -0.172 10.753 -4.433 1.00 0.00 O ATOM 119 CB THR A 21 -3.117 11.290 -5.052 1.00 0.00 C ATOM 120 OG1 THR A 21 -2.592 12.229 -4.090 1.00 0.00 O ATOM 121 CG2 THR A 21 -3.845 10.164 -4.310 1.00 0.00 C ATOM 0 H THR A 21 -3.435 9.400 -6.753 1.00 0.00 H new ATOM 0 HA THR A 21 -1.538 11.594 -6.535 1.00 0.00 H new ATOM 0 HB THR A 21 -3.835 11.798 -5.695 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.645 12.036 -3.927 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.609 10.591 -3.660 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.315 9.497 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.130 9.602 -3.709 1.00 0.00 H new ATOM 129 N LEU A 22 -0.603 8.766 -5.424 1.00 0.00 N ATOM 130 CA LEU A 22 0.515 8.057 -4.757 1.00 0.00 C ATOM 131 C LEU A 22 1.887 8.540 -5.314 1.00 0.00 C ATOM 132 O LEU A 22 2.247 8.224 -6.450 1.00 0.00 O ATOM 133 CB LEU A 22 0.372 6.492 -4.884 1.00 0.00 C ATOM 134 CG LEU A 22 -0.068 5.710 -3.596 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.732 6.152 -2.364 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.570 5.809 -3.330 1.00 0.00 C ATOM 0 H LEU A 22 -1.162 8.177 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 22 0.472 8.301 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.351 6.281 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.330 6.090 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 22 0.155 4.661 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.399 5.588 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.793 5.966 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.574 7.216 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.817 5.250 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.848 6.855 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.117 5.393 -4.176 1.00 0.00 H new ATOM 148 N GLN A 23 2.616 9.322 -4.498 1.00 0.00 N ATOM 149 CA GLN A 23 3.975 9.818 -4.817 1.00 0.00 C ATOM 150 C GLN A 23 5.041 8.796 -4.351 1.00 0.00 C ATOM 151 O GLN A 23 4.928 8.274 -3.235 1.00 0.00 O ATOM 152 CB GLN A 23 4.216 11.186 -4.113 1.00 0.00 C ATOM 153 CG GLN A 23 5.654 11.740 -4.235 1.00 0.00 C ATOM 154 CD GLN A 23 5.874 13.028 -3.444 1.00 0.00 C ATOM 155 OE1 GLN A 23 6.224 12.990 -2.265 1.00 0.00 O ATOM 156 NE2 GLN A 23 5.680 14.170 -4.083 1.00 0.00 N ATOM 0 H GLN A 23 2.278 9.633 -3.587 1.00 0.00 H new ATOM 0 HA GLN A 23 4.058 9.948 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.524 11.918 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.972 11.081 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.358 10.984 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.877 11.925 -5.286 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.390 14.164 -5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.821 15.056 -3.598 1.00 0.00 H new ATOM 165 N PRO A 24 6.077 8.466 -5.206 1.00 0.00 N ATOM 166 CA PRO A 24 7.241 7.636 -4.791 1.00 0.00 C ATOM 167 C PRO A 24 7.999 8.250 -3.598 1.00 0.00 C ATOM 168 O PRO A 24 8.867 9.112 -3.770 1.00 0.00 O ATOM 169 CB PRO A 24 8.115 7.544 -6.075 1.00 0.00 C ATOM 170 CG PRO A 24 7.154 7.812 -7.194 1.00 0.00 C ATOM 171 CD PRO A 24 6.173 8.827 -6.643 1.00 0.00 C ATOM 0 HA PRO A 24 6.943 6.652 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.923 8.276 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.576 6.561 -6.173 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.671 8.200 -8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.644 6.899 -7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.532 9.847 -6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.205 8.761 -7.140 1.00 0.00 H new ATOM 179 N GLY A 25 7.577 7.856 -2.383 1.00 0.00 N ATOM 180 CA GLY A 25 8.233 8.263 -1.141 1.00 0.00 C ATOM 181 C GLY A 25 7.248 8.694 -0.061 1.00 0.00 C ATOM 182 O GLY A 25 7.666 9.021 1.060 1.00 0.00 O ATOM 0 H GLY A 25 6.771 7.247 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.835 7.435 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.917 9.085 -1.350 1.00 0.00 H new ATOM 186 N MET A 26 5.933 8.698 -0.384 1.00 0.00 N ATOM 187 CA MET A 26 4.886 9.049 0.599 1.00 0.00 C ATOM 188 C MET A 26 4.445 7.809 1.381 1.00 0.00 C ATOM 189 O MET A 26 4.680 6.677 0.961 1.00 0.00 O ATOM 190 CB MET A 26 3.643 9.739 -0.041 1.00 0.00 C ATOM 191 CG MET A 26 2.764 8.864 -0.945 1.00 0.00 C ATOM 192 SD MET A 26 1.085 9.522 -1.144 1.00 0.00 S ATOM 193 CE MET A 26 1.376 11.226 -1.632 1.00 0.00 C ATOM 0 H MET A 26 5.576 8.464 -1.310 1.00 0.00 H new ATOM 0 HA MET A 26 5.338 9.774 1.276 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.020 10.133 0.762 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.989 10.592 -0.624 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.233 8.776 -1.925 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.708 7.859 -0.527 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.435 11.776 -1.610 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.082 11.687 -0.941 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.787 11.250 -2.641 1.00 0.00 H new ATOM 203 N ARG A 27 3.752 8.058 2.487 1.00 0.00 N ATOM 204 CA ARG A 27 3.345 7.046 3.459 1.00 0.00 C ATOM 205 C ARG A 27 1.914 6.585 3.161 1.00 0.00 C ATOM 206 O ARG A 27 1.045 7.391 2.815 1.00 0.00 O ATOM 207 CB ARG A 27 3.479 7.630 4.897 1.00 0.00 C ATOM 208 CG ARG A 27 2.879 6.765 6.058 1.00 0.00 C ATOM 209 CD ARG A 27 1.601 7.379 6.677 1.00 0.00 C ATOM 210 NE ARG A 27 1.824 8.771 7.132 1.00 0.00 N ATOM 211 CZ ARG A 27 1.222 9.371 8.170 1.00 0.00 C ATOM 212 NH1 ARG A 27 0.392 8.715 8.959 1.00 0.00 N ATOM 213 NH2 ARG A 27 1.481 10.639 8.423 1.00 0.00 N ATOM 0 H ARG A 27 3.448 8.998 2.741 1.00 0.00 H new ATOM 0 HA ARG A 27 3.993 6.173 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.537 7.792 5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.997 8.608 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.649 5.769 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.631 6.644 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.797 7.361 5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.276 6.769 7.520 1.00 0.00 H new ATOM 0 HE ARG A 27 2.499 9.326 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.196 7.729 8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.053 9.194 9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.134 11.154 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.029 11.105 9.210 1.00 0.00 H new ATOM 227 N VAL A 28 1.684 5.275 3.302 1.00 0.00 N ATOM 228 CA VAL A 28 0.385 4.644 3.055 1.00 0.00 C ATOM 229 C VAL A 28 -0.136 4.023 4.370 1.00 0.00 C ATOM 230 O VAL A 28 0.574 4.017 5.376 1.00 0.00 O ATOM 231 CB VAL A 28 0.467 3.561 1.903 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.203 4.106 0.653 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.101 2.232 2.372 1.00 0.00 C ATOM 0 H VAL A 28 2.405 4.616 3.595 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.315 5.407 2.715 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.564 3.344 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.238 3.333 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.671 4.976 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.219 4.393 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.130 1.529 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.115 2.418 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.505 1.811 3.182 1.00 0.00 H new ATOM 243 N ARG A 29 -1.373 3.538 4.352 1.00 0.00 N ATOM 244 CA ARG A 29 -2.055 2.939 5.517 1.00 0.00 C ATOM 245 C ARG A 29 -2.958 1.790 5.023 1.00 0.00 C ATOM 246 O ARG A 29 -3.535 1.863 3.932 1.00 0.00 O ATOM 247 CB ARG A 29 -2.896 4.030 6.246 1.00 0.00 C ATOM 248 CG ARG A 29 -3.834 3.514 7.362 1.00 0.00 C ATOM 249 CD ARG A 29 -3.079 2.981 8.589 1.00 0.00 C ATOM 250 NE ARG A 29 -2.498 4.063 9.410 1.00 0.00 N ATOM 251 CZ ARG A 29 -2.729 4.258 10.723 1.00 0.00 C ATOM 252 NH1 ARG A 29 -3.597 3.504 11.387 1.00 0.00 N ATOM 253 NH2 ARG A 29 -2.094 5.229 11.361 1.00 0.00 N ATOM 0 H ARG A 29 -1.951 3.546 3.512 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.325 2.542 6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.213 4.761 6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.497 4.556 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.496 4.322 7.674 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.465 2.722 6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.760 2.390 9.202 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.284 2.312 8.260 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.869 4.717 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.102 2.762 10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.758 3.667 12.381 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.435 5.824 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.264 5.382 12.355 1.00 0.00 H new ATOM 267 N MET A 30 -3.062 0.718 5.810 1.00 0.00 N ATOM 268 CA MET A 30 -3.947 -0.414 5.500 1.00 0.00 C ATOM 269 C MET A 30 -5.276 -0.290 6.264 1.00 0.00 C ATOM 270 O MET A 30 -5.294 0.111 7.438 1.00 0.00 O ATOM 271 CB MET A 30 -3.226 -1.746 5.801 1.00 0.00 C ATOM 272 CG MET A 30 -4.029 -3.000 5.446 1.00 0.00 C ATOM 273 SD MET A 30 -4.895 -2.888 3.856 1.00 0.00 S ATOM 274 CE MET A 30 -3.560 -2.623 2.684 1.00 0.00 C ATOM 0 H MET A 30 -2.538 0.607 6.678 1.00 0.00 H new ATOM 0 HA MET A 30 -4.188 -0.400 4.437 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.284 -1.766 5.252 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.978 -1.778 6.862 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.356 -3.857 5.423 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.758 -3.189 6.234 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.967 -2.575 1.674 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.053 -1.687 2.916 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.849 -3.447 2.750 1.00 0.00 H new ATOM 284 N LEU A 31 -6.392 -0.616 5.575 1.00 0.00 N ATOM 285 CA LEU A 31 -7.764 -0.564 6.136 1.00 0.00 C ATOM 286 C LEU A 31 -8.383 -1.980 6.268 1.00 0.00 C ATOM 287 O LEU A 31 -9.457 -2.137 6.863 1.00 0.00 O ATOM 288 CB LEU A 31 -8.658 0.398 5.274 1.00 0.00 C ATOM 289 CG LEU A 31 -8.693 0.177 3.713 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.519 -1.057 3.298 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.195 1.438 2.968 1.00 0.00 C ATOM 0 H LEU A 31 -6.367 -0.926 4.604 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.712 -0.161 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.680 0.325 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.324 1.419 5.459 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.661 -0.013 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.505 -1.156 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.089 -1.951 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.548 -0.938 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.205 1.247 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.203 1.681 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.530 2.275 3.181 1.00 0.00 H new ATOM 303 N ASP A 32 -7.683 -2.998 5.730 1.00 0.00 N ATOM 304 CA ASP A 32 -8.171 -4.402 5.654 1.00 0.00 C ATOM 305 C ASP A 32 -7.117 -5.351 6.270 1.00 0.00 C ATOM 306 O ASP A 32 -6.031 -4.910 6.636 1.00 0.00 O ATOM 307 CB ASP A 32 -8.461 -4.750 4.161 1.00 0.00 C ATOM 308 CG ASP A 32 -9.115 -6.127 3.939 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.165 -6.405 4.563 1.00 0.00 O ATOM 310 OD2 ASP A 32 -8.593 -6.936 3.146 1.00 0.00 O ATOM 0 H ASP A 32 -6.753 -2.874 5.330 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.093 -4.521 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.111 -3.982 3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.525 -4.713 3.604 1.00 0.00 H new ATOM 315 N ASP A 33 -7.449 -6.642 6.436 1.00 0.00 N ATOM 316 CA ASP A 33 -6.478 -7.648 6.921 1.00 0.00 C ATOM 317 C ASP A 33 -5.749 -8.312 5.739 1.00 0.00 C ATOM 318 O ASP A 33 -6.340 -8.562 4.693 1.00 0.00 O ATOM 319 CB ASP A 33 -7.160 -8.721 7.808 1.00 0.00 C ATOM 320 CG ASP A 33 -6.161 -9.764 8.361 1.00 0.00 C ATOM 321 OD1 ASP A 33 -5.273 -9.380 9.152 1.00 0.00 O ATOM 322 OD2 ASP A 33 -6.255 -10.958 7.996 1.00 0.00 O ATOM 0 H ASP A 33 -8.378 -7.017 6.243 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.746 -7.126 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.664 -8.231 8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.927 -9.232 7.227 1.00 0.00 H new ATOM 327 N TYR A 34 -4.460 -8.596 5.938 1.00 0.00 N ATOM 328 CA TYR A 34 -3.566 -9.215 4.940 1.00 0.00 C ATOM 329 C TYR A 34 -2.765 -10.353 5.580 1.00 0.00 C ATOM 330 O TYR A 34 -2.802 -10.540 6.803 1.00 0.00 O ATOM 331 CB TYR A 34 -2.618 -8.154 4.286 1.00 0.00 C ATOM 332 CG TYR A 34 -3.183 -7.546 3.003 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.123 -6.515 3.042 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.794 -8.034 1.754 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.647 -5.992 1.878 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.318 -7.516 0.595 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.243 -6.500 0.657 1.00 0.00 C ATOM 338 OH TYR A 34 -4.765 -5.990 -0.509 1.00 0.00 O ATOM 0 H TYR A 34 -3.990 -8.398 6.821 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.182 -9.632 4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.427 -7.356 5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.658 -8.621 4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.444 -6.122 3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.069 -8.832 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.369 -5.190 1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.005 -7.905 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.932 -6.721 -1.140 1.00 0.00 H new ATOM 348 N GLU A 35 -2.048 -11.095 4.712 1.00 0.00 N ATOM 349 CA GLU A 35 -1.180 -12.238 5.075 1.00 0.00 C ATOM 350 C GLU A 35 -0.272 -11.923 6.292 1.00 0.00 C ATOM 351 O GLU A 35 -0.184 -12.709 7.238 1.00 0.00 O ATOM 352 CB GLU A 35 -0.292 -12.602 3.848 1.00 0.00 C ATOM 353 CG GLU A 35 -1.053 -12.857 2.524 1.00 0.00 C ATOM 354 CD GLU A 35 -1.973 -14.082 2.577 1.00 0.00 C ATOM 355 OE1 GLU A 35 -1.480 -15.217 2.398 1.00 0.00 O ATOM 356 OE2 GLU A 35 -3.188 -13.920 2.821 1.00 0.00 O ATOM 0 H GLU A 35 -2.056 -10.911 3.709 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.822 -13.074 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.422 -11.794 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.286 -13.494 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.647 -11.976 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.331 -12.989 1.718 1.00 0.00 H new ATOM 363 N GLU A 36 0.372 -10.745 6.252 1.00 0.00 N ATOM 364 CA GLU A 36 1.356 -10.306 7.272 1.00 0.00 C ATOM 365 C GLU A 36 1.180 -8.812 7.618 1.00 0.00 C ATOM 366 O GLU A 36 1.940 -8.255 8.412 1.00 0.00 O ATOM 367 CB GLU A 36 2.783 -10.608 6.745 1.00 0.00 C ATOM 368 CG GLU A 36 3.034 -10.099 5.309 1.00 0.00 C ATOM 369 CD GLU A 36 4.374 -10.545 4.720 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.597 -11.766 4.602 1.00 0.00 O ATOM 371 OE2 GLU A 36 5.196 -9.685 4.348 1.00 0.00 O ATOM 0 H GLU A 36 0.228 -10.062 5.509 1.00 0.00 H new ATOM 0 HA GLU A 36 1.191 -10.856 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.512 -10.153 7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.951 -11.685 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.229 -10.450 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.992 -9.010 5.307 1.00 0.00 H new ATOM 378 N ILE A 37 0.177 -8.169 6.998 1.00 0.00 N ATOM 379 CA ILE A 37 -0.223 -6.780 7.290 1.00 0.00 C ATOM 380 C ILE A 37 -1.641 -6.807 7.871 1.00 0.00 C ATOM 381 O ILE A 37 -2.418 -7.684 7.536 1.00 0.00 O ATOM 382 CB ILE A 37 -0.175 -5.843 6.008 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.240 -5.865 5.334 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.606 -4.390 6.326 1.00 0.00 C ATOM 385 CD1 ILE A 37 1.447 -6.974 4.328 1.00 0.00 C ATOM 0 H ILE A 37 -0.388 -8.605 6.269 1.00 0.00 H new ATOM 0 HA ILE A 37 0.487 -6.359 8.002 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.897 -6.250 5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.405 -4.909 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.997 -5.955 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.556 -3.789 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.627 -4.389 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.062 -3.968 7.077 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.454 -6.908 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.318 -7.939 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.718 -6.876 3.523 1.00 0.00 H new ATOM 397 N SER A 38 -1.958 -5.897 8.790 1.00 0.00 N ATOM 398 CA SER A 38 -3.330 -5.726 9.304 1.00 0.00 C ATOM 399 C SER A 38 -3.726 -4.252 9.259 1.00 0.00 C ATOM 400 O SER A 38 -2.865 -3.373 9.072 1.00 0.00 O ATOM 401 CB SER A 38 -3.448 -6.310 10.729 1.00 0.00 C ATOM 402 OG SER A 38 -3.186 -7.703 10.723 1.00 0.00 O ATOM 0 H SER A 38 -1.280 -5.256 9.202 1.00 0.00 H new ATOM 0 HA SER A 38 -4.024 -6.276 8.668 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.746 -5.806 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.448 -6.125 11.122 1.00 0.00 H new ATOM 0 HG SER A 38 -3.883 -8.165 10.212 1.00 0.00 H new ATOM 408 N ALA A 39 -5.040 -3.997 9.383 1.00 0.00 N ATOM 409 CA ALA A 39 -5.599 -2.643 9.401 1.00 0.00 C ATOM 410 C ALA A 39 -4.982 -1.825 10.554 1.00 0.00 C ATOM 411 O ALA A 39 -5.187 -2.147 11.730 1.00 0.00 O ATOM 412 CB ALA A 39 -7.125 -2.728 9.536 1.00 0.00 C ATOM 0 H ALA A 39 -5.743 -4.730 9.474 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.358 -2.134 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.546 -1.723 9.550 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.535 -3.281 8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.380 -3.241 10.463 1.00 0.00 H new ATOM 418 N GLY A 40 -4.224 -0.775 10.196 1.00 0.00 N ATOM 419 CA GLY A 40 -3.471 0.029 11.163 1.00 0.00 C ATOM 420 C GLY A 40 -2.005 0.180 10.776 1.00 0.00 C ATOM 421 O GLY A 40 -1.410 1.230 11.020 1.00 0.00 O ATOM 0 H GLY A 40 -4.119 -0.463 9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.926 1.016 11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.538 -0.434 12.147 1.00 0.00 H new ATOM 425 N ASP A 41 -1.424 -0.870 10.158 1.00 0.00 N ATOM 426 CA ASP A 41 -0.020 -0.848 9.671 1.00 0.00 C ATOM 427 C ASP A 41 0.134 0.184 8.543 1.00 0.00 C ATOM 428 O ASP A 41 -0.797 0.406 7.757 1.00 0.00 O ATOM 429 CB ASP A 41 0.405 -2.264 9.183 1.00 0.00 C ATOM 430 CG ASP A 41 1.887 -2.433 8.734 1.00 0.00 C ATOM 431 OD1 ASP A 41 2.752 -1.577 9.045 1.00 0.00 O ATOM 432 OD2 ASP A 41 2.198 -3.471 8.106 1.00 0.00 O ATOM 0 H ASP A 41 -1.906 -1.751 9.982 1.00 0.00 H new ATOM 0 HA ASP A 41 0.633 -0.559 10.494 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.210 -2.974 9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.238 -2.543 8.348 1.00 0.00 H new ATOM 437 N GLU A 42 1.313 0.823 8.492 1.00 0.00 N ATOM 438 CA GLU A 42 1.634 1.878 7.522 1.00 0.00 C ATOM 439 C GLU A 42 2.841 1.472 6.674 1.00 0.00 C ATOM 440 O GLU A 42 3.744 0.778 7.146 1.00 0.00 O ATOM 441 CB GLU A 42 1.894 3.221 8.246 1.00 0.00 C ATOM 442 CG GLU A 42 0.731 3.655 9.154 1.00 0.00 C ATOM 443 CD GLU A 42 0.852 5.088 9.677 1.00 0.00 C ATOM 444 OE1 GLU A 42 1.829 5.386 10.390 1.00 0.00 O ATOM 445 OE2 GLU A 42 -0.029 5.925 9.365 1.00 0.00 O ATOM 0 H GLU A 42 2.080 0.618 9.133 1.00 0.00 H new ATOM 0 HA GLU A 42 0.780 2.012 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.801 3.134 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.076 3.998 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.204 3.558 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.672 2.973 10.002 1.00 0.00 H new ATOM 452 N GLY A 43 2.823 1.902 5.411 1.00 0.00 N ATOM 453 CA GLY A 43 3.867 1.577 4.445 1.00 0.00 C ATOM 454 C GLY A 43 4.439 2.811 3.789 1.00 0.00 C ATOM 455 O GLY A 43 4.197 3.932 4.246 1.00 0.00 O ATOM 0 H GLY A 43 2.080 2.488 5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.666 1.030 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.459 0.916 3.680 1.00 0.00 H new ATOM 459 N GLU A 44 5.209 2.602 2.714 1.00 0.00 N ATOM 460 CA GLU A 44 5.691 3.683 1.850 1.00 0.00 C ATOM 461 C GLU A 44 5.540 3.244 0.400 1.00 0.00 C ATOM 462 O GLU A 44 5.795 2.076 0.084 1.00 0.00 O ATOM 463 CB GLU A 44 7.173 4.032 2.131 1.00 0.00 C ATOM 464 CG GLU A 44 7.652 5.320 1.424 1.00 0.00 C ATOM 465 CD GLU A 44 9.178 5.449 1.351 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.821 5.596 2.408 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.740 5.358 0.235 1.00 0.00 O ATOM 0 H GLU A 44 5.515 1.675 2.419 1.00 0.00 H new ATOM 0 HA GLU A 44 5.100 4.577 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.313 4.144 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.800 3.199 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.245 5.342 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.247 6.185 1.950 1.00 0.00 H new ATOM 474 N PHE A 45 5.150 4.173 -0.475 1.00 0.00 N ATOM 475 CA PHE A 45 5.004 3.905 -1.905 1.00 0.00 C ATOM 476 C PHE A 45 6.387 3.820 -2.567 1.00 0.00 C ATOM 477 O PHE A 45 7.156 4.787 -2.544 1.00 0.00 O ATOM 478 CB PHE A 45 4.146 4.997 -2.554 1.00 0.00 C ATOM 479 CG PHE A 45 3.838 4.754 -4.028 1.00 0.00 C ATOM 480 CD1 PHE A 45 2.929 3.779 -4.417 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.443 5.510 -5.019 1.00 0.00 C ATOM 482 CE1 PHE A 45 2.641 3.584 -5.747 1.00 0.00 C ATOM 483 CE2 PHE A 45 4.161 5.315 -6.345 1.00 0.00 C ATOM 484 CZ PHE A 45 3.260 4.355 -6.708 1.00 0.00 C ATOM 0 H PHE A 45 4.927 5.133 -0.211 1.00 0.00 H new ATOM 0 HA PHE A 45 4.502 2.948 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.207 5.079 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.658 5.954 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.444 3.169 -3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.155 6.272 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.929 2.826 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.648 5.916 -7.098 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.031 4.199 -7.752 1.00 0.00 H new ATOM 494 N ARG A 46 6.680 2.651 -3.156 1.00 0.00 N ATOM 495 CA ARG A 46 8.001 2.333 -3.731 1.00 0.00 C ATOM 496 C ARG A 46 7.902 2.303 -5.263 1.00 0.00 C ATOM 497 O ARG A 46 8.692 2.935 -5.966 1.00 0.00 O ATOM 498 CB ARG A 46 8.464 0.948 -3.193 1.00 0.00 C ATOM 499 CG ARG A 46 8.209 0.724 -1.685 1.00 0.00 C ATOM 500 CD ARG A 46 9.016 1.672 -0.779 1.00 0.00 C ATOM 501 NE ARG A 46 10.441 1.308 -0.757 1.00 0.00 N ATOM 502 CZ ARG A 46 11.392 1.866 -0.001 1.00 0.00 C ATOM 503 NH1 ARG A 46 11.152 2.925 0.744 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.610 1.365 -0.026 1.00 0.00 N ATOM 0 H ARG A 46 6.004 1.893 -3.249 1.00 0.00 H new ATOM 0 HA ARG A 46 8.727 3.094 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.953 0.166 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.530 0.835 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.146 0.856 -1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.457 -0.307 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.906 2.697 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.615 1.639 0.234 1.00 0.00 H new ATOM 0 HE ARG A 46 10.733 0.555 -1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.221 3.341 0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.897 3.329 1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.819 0.561 -0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.345 1.782 0.546 1.00 0.00 H new ATOM 518 N GLN A 47 6.888 1.569 -5.747 1.00 0.00 N ATOM 519 CA GLN A 47 6.568 1.430 -7.178 1.00 0.00 C ATOM 520 C GLN A 47 5.129 0.921 -7.322 1.00 0.00 C ATOM 521 O GLN A 47 4.555 0.396 -6.360 1.00 0.00 O ATOM 522 CB GLN A 47 7.567 0.477 -7.926 1.00 0.00 C ATOM 523 CG GLN A 47 7.490 -1.032 -7.554 1.00 0.00 C ATOM 524 CD GLN A 47 7.951 -1.348 -6.128 1.00 0.00 C ATOM 525 OE1 GLN A 47 7.041 -1.244 -5.175 1.00 0.00 O flip ATOM 526 NE2 GLN A 47 9.117 -1.648 -5.881 1.00 0.00 N flip ATOM 0 H GLN A 47 6.255 1.045 -5.143 1.00 0.00 H new ATOM 0 HA GLN A 47 6.667 2.410 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.395 0.574 -8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.582 0.826 -7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.462 -1.373 -7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.100 -1.600 -8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.796 -1.720 -6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.405 -1.825 -4.919 1.00 0.00 H new ATOM 535 N SER A 48 4.573 1.052 -8.529 1.00 0.00 N ATOM 536 CA SER A 48 3.174 0.717 -8.820 1.00 0.00 C ATOM 537 C SER A 48 3.041 -0.137 -10.070 1.00 0.00 C ATOM 538 O SER A 48 3.998 -0.329 -10.831 1.00 0.00 O ATOM 539 CB SER A 48 2.362 2.014 -9.001 1.00 0.00 C ATOM 540 OG SER A 48 2.991 2.916 -9.891 1.00 0.00 O ATOM 0 H SER A 48 5.085 1.397 -9.341 1.00 0.00 H new ATOM 0 HA SER A 48 2.790 0.141 -7.978 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.368 1.770 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.228 2.495 -8.032 1.00 0.00 H new ATOM 0 HG SER A 48 2.443 3.724 -9.979 1.00 0.00 H new ATOM 546 N ASN A 49 1.824 -0.665 -10.239 1.00 0.00 N ATOM 547 CA ASN A 49 1.340 -1.247 -11.487 1.00 0.00 C ATOM 548 C ASN A 49 -0.095 -0.743 -11.663 1.00 0.00 C ATOM 549 O ASN A 49 -0.931 -0.958 -10.775 1.00 0.00 O ATOM 550 CB ASN A 49 1.352 -2.796 -11.461 1.00 0.00 C ATOM 551 CG ASN A 49 2.649 -3.424 -10.950 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.610 -3.585 -11.697 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.663 -3.823 -9.680 1.00 0.00 N ATOM 0 H ASN A 49 1.133 -0.698 -9.489 1.00 0.00 H new ATOM 0 HA ASN A 49 1.990 -0.951 -12.310 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.528 -3.140 -10.836 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.161 -3.163 -12.470 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.491 -4.279 -9.298 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.845 -3.672 -9.089 1.00 0.00 H new ATOM 560 N ASN A 50 -0.377 -0.052 -12.772 1.00 0.00 N ATOM 561 CA ASN A 50 -1.710 0.535 -13.018 1.00 0.00 C ATOM 562 C ASN A 50 -2.704 -0.568 -13.412 1.00 0.00 C ATOM 563 O ASN A 50 -3.866 -0.553 -12.994 1.00 0.00 O ATOM 564 CB ASN A 50 -1.644 1.631 -14.115 1.00 0.00 C ATOM 565 CG ASN A 50 -0.574 2.691 -13.838 1.00 0.00 C ATOM 566 OD1 ASN A 50 -0.820 3.674 -13.148 1.00 0.00 O ATOM 567 ND2 ASN A 50 0.621 2.498 -14.377 1.00 0.00 N ATOM 0 H ASN A 50 0.297 0.118 -13.518 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.054 1.008 -12.098 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.442 1.162 -15.078 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.617 2.117 -14.195 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.366 3.177 -14.222 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.796 1.670 -14.947 1.00 0.00 H new ATOM 574 N GLY A 51 -2.209 -1.531 -14.214 1.00 0.00 N ATOM 575 CA GLY A 51 -3.028 -2.625 -14.756 1.00 0.00 C ATOM 576 C GLY A 51 -3.036 -3.863 -13.880 1.00 0.00 C ATOM 577 O GLY A 51 -3.892 -4.739 -14.046 1.00 0.00 O ATOM 0 H GLY A 51 -1.231 -1.569 -14.502 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.052 -2.273 -14.884 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.656 -2.891 -15.745 1.00 0.00 H new ATOM 581 N ILE A 52 -2.051 -3.965 -12.978 1.00 0.00 N ATOM 582 CA ILE A 52 -1.998 -5.031 -11.975 1.00 0.00 C ATOM 583 C ILE A 52 -2.419 -4.384 -10.646 1.00 0.00 C ATOM 584 O ILE A 52 -1.618 -3.663 -10.039 1.00 0.00 O ATOM 585 CB ILE A 52 -0.563 -5.658 -11.853 1.00 0.00 C ATOM 586 CG1 ILE A 52 0.055 -5.965 -13.256 1.00 0.00 C ATOM 587 CG2 ILE A 52 -0.558 -6.924 -10.968 1.00 0.00 C ATOM 588 CD1 ILE A 52 -0.703 -6.993 -14.086 1.00 0.00 C ATOM 0 H ILE A 52 -1.270 -3.311 -12.925 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.658 -5.851 -12.257 1.00 0.00 H new ATOM 0 HB ILE A 52 0.062 -4.910 -11.365 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.112 -5.035 -13.822 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.077 -6.316 -13.116 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.454 -7.324 -10.911 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.904 -6.669 -9.966 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.221 -7.673 -11.401 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.196 -7.136 -15.040 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.738 -7.940 -13.548 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.718 -6.639 -14.265 1.00 0.00 H new ATOM 600 N PRO A 53 -3.689 -4.606 -10.187 1.00 0.00 N ATOM 601 CA PRO A 53 -4.251 -3.887 -9.024 1.00 0.00 C ATOM 602 C PRO A 53 -3.523 -4.053 -7.636 1.00 0.00 C ATOM 603 O PRO A 53 -3.737 -3.193 -6.767 1.00 0.00 O ATOM 604 CB PRO A 53 -5.727 -4.364 -8.974 1.00 0.00 C ATOM 605 CG PRO A 53 -5.738 -5.667 -9.712 1.00 0.00 C ATOM 606 CD PRO A 53 -4.693 -5.527 -10.794 1.00 0.00 C ATOM 0 HA PRO A 53 -4.121 -2.815 -9.174 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.067 -4.490 -7.946 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.392 -3.639 -9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.504 -6.497 -9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.721 -5.868 -10.139 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.251 -6.489 -11.053 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.116 -5.114 -11.710 1.00 0.00 H new ATOM 614 N PRO A 54 -2.713 -5.127 -7.341 1.00 0.00 N ATOM 615 CA PRO A 54 -1.811 -5.087 -6.178 1.00 0.00 C ATOM 616 C PRO A 54 -0.548 -4.216 -6.440 1.00 0.00 C ATOM 617 O PRO A 54 0.286 -4.531 -7.298 1.00 0.00 O ATOM 618 CB PRO A 54 -1.478 -6.576 -5.928 1.00 0.00 C ATOM 619 CG PRO A 54 -1.603 -7.224 -7.268 1.00 0.00 C ATOM 620 CD PRO A 54 -2.699 -6.469 -7.980 1.00 0.00 C ATOM 0 HA PRO A 54 -2.264 -4.616 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.473 -6.694 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.166 -7.020 -5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.665 -7.168 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.853 -8.281 -7.171 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.499 -6.396 -9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.661 -6.970 -7.869 1.00 0.00 H new ATOM 628 N VAL A 55 -0.482 -3.077 -5.737 1.00 0.00 N ATOM 629 CA VAL A 55 0.711 -2.209 -5.656 1.00 0.00 C ATOM 630 C VAL A 55 1.667 -2.724 -4.561 1.00 0.00 C ATOM 631 O VAL A 55 1.222 -3.225 -3.522 1.00 0.00 O ATOM 632 CB VAL A 55 0.313 -0.707 -5.369 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.609 -0.575 -4.131 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.560 0.203 -5.225 1.00 0.00 C ATOM 0 H VAL A 55 -1.270 -2.722 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 55 1.217 -2.243 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.251 -0.367 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.857 0.475 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.525 -1.143 -4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.095 -0.964 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.242 1.227 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.175 -0.151 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.140 0.174 -6.147 1.00 0.00 H new ATOM 644 N GLN A 56 2.987 -2.624 -4.815 1.00 0.00 N ATOM 645 CA GLN A 56 4.015 -3.019 -3.844 1.00 0.00 C ATOM 646 C GLN A 56 4.417 -1.785 -2.997 1.00 0.00 C ATOM 647 O GLN A 56 4.845 -0.753 -3.531 1.00 0.00 O ATOM 648 CB GLN A 56 5.254 -3.649 -4.541 1.00 0.00 C ATOM 649 CG GLN A 56 5.037 -4.999 -5.261 1.00 0.00 C ATOM 650 CD GLN A 56 4.139 -4.913 -6.497 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.604 -4.649 -7.600 1.00 0.00 O ATOM 652 NE2 GLN A 56 2.848 -5.133 -6.316 1.00 0.00 N ATOM 0 H GLN A 56 3.364 -2.269 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 56 3.601 -3.786 -3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.635 -2.933 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.033 -3.785 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.006 -5.400 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.600 -5.707 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.493 -5.350 -5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.207 -5.085 -7.108 1.00 0.00 H new ATOM 661 N VAL A 57 4.267 -1.918 -1.676 1.00 0.00 N ATOM 662 CA VAL A 57 4.551 -0.860 -0.681 1.00 0.00 C ATOM 663 C VAL A 57 5.305 -1.485 0.492 1.00 0.00 C ATOM 664 O VAL A 57 4.971 -2.589 0.918 1.00 0.00 O ATOM 665 CB VAL A 57 3.222 -0.162 -0.160 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.854 1.078 -0.995 1.00 0.00 C ATOM 667 CG2 VAL A 57 2.042 -1.157 -0.139 1.00 0.00 C ATOM 0 H VAL A 57 3.937 -2.784 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 57 5.154 -0.088 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 57 3.421 0.169 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.939 1.522 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.663 1.806 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.699 0.785 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.146 -0.652 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.865 -1.533 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.280 -1.990 0.523 1.00 0.00 H new ATOM 677 N PHE A 58 6.331 -0.778 0.992 1.00 0.00 N ATOM 678 CA PHE A 58 7.190 -1.271 2.082 1.00 0.00 C ATOM 679 C PHE A 58 6.500 -0.991 3.426 1.00 0.00 C ATOM 680 O PHE A 58 6.503 0.147 3.894 1.00 0.00 O ATOM 681 CB PHE A 58 8.575 -0.565 1.995 1.00 0.00 C ATOM 682 CG PHE A 58 9.665 -1.094 2.928 1.00 0.00 C ATOM 683 CD1 PHE A 58 9.801 -0.607 4.230 1.00 0.00 C ATOM 684 CD2 PHE A 58 10.573 -2.056 2.489 1.00 0.00 C ATOM 685 CE1 PHE A 58 10.804 -1.067 5.058 1.00 0.00 C ATOM 686 CE2 PHE A 58 11.574 -2.518 3.318 1.00 0.00 C ATOM 687 CZ PHE A 58 11.690 -2.023 4.603 1.00 0.00 C ATOM 0 H PHE A 58 6.588 0.149 0.654 1.00 0.00 H new ATOM 0 HA PHE A 58 7.348 -2.346 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.935 -0.643 0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.432 0.495 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.111 0.140 4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.492 -2.445 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.896 -0.679 6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.267 -3.266 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.474 -2.384 5.252 1.00 0.00 H new ATOM 697 N TRP A 59 5.943 -2.043 4.038 1.00 0.00 N ATOM 698 CA TRP A 59 5.212 -1.961 5.317 1.00 0.00 C ATOM 699 C TRP A 59 6.195 -2.073 6.479 1.00 0.00 C ATOM 700 O TRP A 59 6.997 -3.011 6.510 1.00 0.00 O ATOM 701 CB TRP A 59 4.157 -3.080 5.396 1.00 0.00 C ATOM 702 CG TRP A 59 3.134 -2.998 4.303 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.147 -3.660 3.111 1.00 0.00 C ATOM 704 CD2 TRP A 59 1.962 -2.185 4.302 1.00 0.00 C ATOM 705 NE1 TRP A 59 2.050 -3.320 2.378 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.304 -2.410 3.093 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.401 -1.300 5.222 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.117 -1.765 2.770 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.230 -0.659 4.897 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.406 -0.897 3.683 1.00 0.00 C ATOM 0 H TRP A 59 5.985 -2.988 3.658 1.00 0.00 H new ATOM 0 HA TRP A 59 4.701 -1.000 5.378 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.657 -4.047 5.347 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.654 -3.030 6.362 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.914 -4.352 2.795 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.819 -3.680 1.452 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.879 -1.121 6.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.376 -1.945 1.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.204 0.041 5.596 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.330 -0.385 3.459 1.00 0.00 H new ATOM 721 N GLN A 60 6.130 -1.118 7.420 1.00 0.00 N ATOM 722 CA GLN A 60 7.103 -1.008 8.519 1.00 0.00 C ATOM 723 C GLN A 60 6.956 -2.123 9.584 1.00 0.00 C ATOM 724 O GLN A 60 7.929 -2.419 10.283 1.00 0.00 O ATOM 725 CB GLN A 60 7.082 0.432 9.135 1.00 0.00 C ATOM 726 CG GLN A 60 5.725 0.960 9.681 1.00 0.00 C ATOM 727 CD GLN A 60 5.386 0.507 11.105 1.00 0.00 C ATOM 728 OE1 GLN A 60 5.813 1.129 12.077 1.00 0.00 O ATOM 729 NE2 GLN A 60 4.588 -0.538 11.246 1.00 0.00 N ATOM 0 H GLN A 60 5.404 -0.402 7.441 1.00 0.00 H new ATOM 0 HA GLN A 60 8.092 -1.168 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.806 0.460 9.949 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.432 1.129 8.373 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.738 2.050 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.929 0.634 9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.249 -1.035 10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.312 -0.847 12.178 1.00 0.00 H new ATOM 738 N SER A 61 5.755 -2.745 9.709 1.00 0.00 N ATOM 739 CA SER A 61 5.519 -3.804 10.731 1.00 0.00 C ATOM 740 C SER A 61 6.120 -5.150 10.291 1.00 0.00 C ATOM 741 O SER A 61 6.762 -5.837 11.091 1.00 0.00 O ATOM 742 CB SER A 61 4.012 -3.960 11.037 1.00 0.00 C ATOM 743 OG SER A 61 3.777 -4.904 12.072 1.00 0.00 O ATOM 0 H SER A 61 4.945 -2.537 9.125 1.00 0.00 H new ATOM 0 HA SER A 61 6.022 -3.490 11.645 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.598 -2.994 11.326 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.489 -4.274 10.134 1.00 0.00 H new ATOM 0 HG SER A 61 2.814 -4.974 12.238 1.00 0.00 H new ATOM 749 N THR A 62 5.906 -5.525 9.018 1.00 0.00 N ATOM 750 CA THR A 62 6.487 -6.754 8.449 1.00 0.00 C ATOM 751 C THR A 62 7.922 -6.484 7.928 1.00 0.00 C ATOM 752 O THR A 62 8.723 -7.417 7.745 1.00 0.00 O ATOM 753 CB THR A 62 5.575 -7.352 7.328 1.00 0.00 C ATOM 754 OG1 THR A 62 6.122 -8.594 6.880 1.00 0.00 O ATOM 755 CG2 THR A 62 5.398 -6.407 6.127 1.00 0.00 C ATOM 0 H THR A 62 5.334 -4.993 8.362 1.00 0.00 H new ATOM 0 HA THR A 62 6.549 -7.499 9.243 1.00 0.00 H new ATOM 0 HB THR A 62 4.588 -7.500 7.766 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.831 -8.767 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.755 -6.879 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.942 -5.475 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.371 -6.196 5.683 1.00 0.00 H new ATOM 763 N GLY A 63 8.234 -5.190 7.706 1.00 0.00 N ATOM 764 CA GLY A 63 9.583 -4.745 7.330 1.00 0.00 C ATOM 765 C GLY A 63 9.953 -5.011 5.875 1.00 0.00 C ATOM 766 O GLY A 63 11.146 -5.073 5.547 1.00 0.00 O ATOM 0 H GLY A 63 7.557 -4.431 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.666 -3.676 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.309 -5.243 7.973 1.00 0.00 H new ATOM 770 N ARG A 64 8.946 -5.174 4.999 1.00 0.00 N ATOM 771 CA ARG A 64 9.177 -5.550 3.586 1.00 0.00 C ATOM 772 C ARG A 64 8.053 -5.053 2.668 1.00 0.00 C ATOM 773 O ARG A 64 6.982 -4.636 3.133 1.00 0.00 O ATOM 774 CB ARG A 64 9.362 -7.089 3.483 1.00 0.00 C ATOM 775 CG ARG A 64 8.173 -7.899 4.034 1.00 0.00 C ATOM 776 CD ARG A 64 8.476 -9.399 4.151 1.00 0.00 C ATOM 777 NE ARG A 64 8.776 -10.016 2.839 1.00 0.00 N ATOM 778 CZ ARG A 64 8.069 -10.999 2.248 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.948 -11.466 2.786 1.00 0.00 N ATOM 780 NH2 ARG A 64 8.476 -11.483 1.086 1.00 0.00 N ATOM 0 H ARG A 64 7.963 -5.052 5.241 1.00 0.00 H new ATOM 0 HA ARG A 64 10.089 -5.061 3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.519 -7.357 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.265 -7.374 4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.899 -7.511 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.310 -7.757 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.323 -9.545 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.623 -9.906 4.602 1.00 0.00 H new ATOM 0 HE ARG A 64 9.592 -9.665 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.605 -11.080 3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.430 -12.211 2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.318 -11.112 0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.948 -12.227 0.630 1.00 0.00 H new ATOM 794 N THR A 65 8.315 -5.144 1.357 1.00 0.00 N ATOM 795 CA THR A 65 7.431 -4.662 0.301 1.00 0.00 C ATOM 796 C THR A 65 6.418 -5.760 -0.050 1.00 0.00 C ATOM 797 O THR A 65 6.820 -6.894 -0.346 1.00 0.00 O ATOM 798 CB THR A 65 8.286 -4.285 -0.968 1.00 0.00 C ATOM 799 OG1 THR A 65 9.615 -3.918 -0.565 1.00 0.00 O ATOM 800 CG2 THR A 65 7.684 -3.119 -1.738 1.00 0.00 C ATOM 0 H THR A 65 9.171 -5.567 0.998 1.00 0.00 H new ATOM 0 HA THR A 65 6.895 -3.776 0.642 1.00 0.00 H new ATOM 0 HB THR A 65 8.301 -5.161 -1.617 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.144 -3.686 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.307 -2.895 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.680 -3.383 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.633 -2.243 -1.091 1.00 0.00 H new ATOM 808 N TYR A 66 5.116 -5.436 -0.011 1.00 0.00 N ATOM 809 CA TYR A 66 4.055 -6.434 -0.193 1.00 0.00 C ATOM 810 C TYR A 66 2.958 -5.920 -1.133 1.00 0.00 C ATOM 811 O TYR A 66 2.755 -4.708 -1.282 1.00 0.00 O ATOM 812 CB TYR A 66 3.461 -6.841 1.185 1.00 0.00 C ATOM 813 CG TYR A 66 3.007 -8.306 1.247 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.961 -9.318 1.328 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.656 -8.684 1.219 1.00 0.00 C ATOM 816 CE1 TYR A 66 3.598 -10.640 1.380 1.00 0.00 C ATOM 817 CE2 TYR A 66 1.291 -10.015 1.277 1.00 0.00 C ATOM 818 CZ TYR A 66 2.270 -10.988 1.354 1.00 0.00 C ATOM 819 OH TYR A 66 1.924 -12.315 1.405 1.00 0.00 O ATOM 0 H TYR A 66 4.774 -4.488 0.145 1.00 0.00 H new ATOM 0 HA TYR A 66 4.494 -7.317 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.208 -6.667 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.612 -6.196 1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.009 -9.056 1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.891 -7.924 1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.356 -11.407 1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.248 -10.294 1.262 1.00 0.00 H new ATOM 0 HH TYR A 66 2.601 -12.810 1.911 1.00 0.00 H new ATOM 829 N TRP A 67 2.241 -6.887 -1.712 1.00 0.00 N ATOM 830 CA TRP A 67 1.214 -6.684 -2.734 1.00 0.00 C ATOM 831 C TRP A 67 -0.133 -6.395 -2.059 1.00 0.00 C ATOM 832 O TRP A 67 -0.692 -7.275 -1.396 1.00 0.00 O ATOM 833 CB TRP A 67 1.111 -7.965 -3.610 1.00 0.00 C ATOM 834 CG TRP A 67 2.415 -8.406 -4.237 1.00 0.00 C ATOM 835 CD1 TRP A 67 2.842 -8.150 -5.504 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.452 -9.195 -3.623 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.071 -8.707 -5.712 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.467 -9.357 -4.578 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.618 -9.775 -2.360 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.630 -10.067 -4.312 1.00 0.00 C ATOM 841 CZ3 TRP A 67 4.771 -10.482 -2.097 1.00 0.00 C ATOM 842 CH2 TRP A 67 5.765 -10.623 -3.069 1.00 0.00 C ATOM 0 H TRP A 67 2.366 -7.870 -1.471 1.00 0.00 H new ATOM 0 HA TRP A 67 1.480 -5.836 -3.365 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.725 -8.779 -2.996 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.383 -7.790 -4.402 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.288 -7.587 -6.240 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.608 -8.647 -6.577 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.854 -9.670 -1.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.401 -10.177 -5.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.909 -10.934 -1.126 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.658 -11.182 -2.834 1.00 0.00 H new ATOM 853 N VAL A 68 -0.629 -5.154 -2.191 1.00 0.00 N ATOM 854 CA VAL A 68 -1.932 -4.741 -1.629 1.00 0.00 C ATOM 855 C VAL A 68 -2.753 -4.004 -2.694 1.00 0.00 C ATOM 856 O VAL A 68 -2.187 -3.354 -3.568 1.00 0.00 O ATOM 857 CB VAL A 68 -1.783 -3.840 -0.342 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.884 -4.517 0.726 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.285 -2.418 -0.688 1.00 0.00 C ATOM 0 H VAL A 68 -0.142 -4.408 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.451 -5.650 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.778 -3.732 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.804 -3.868 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.324 -5.469 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.108 -4.690 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.196 -1.831 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.312 -2.482 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.996 -1.937 -1.360 1.00 0.00 H new ATOM 869 N HIS A 69 -4.085 -4.091 -2.604 1.00 0.00 N ATOM 870 CA HIS A 69 -4.988 -3.513 -3.610 1.00 0.00 C ATOM 871 C HIS A 69 -5.131 -1.989 -3.413 1.00 0.00 C ATOM 872 O HIS A 69 -5.133 -1.512 -2.283 1.00 0.00 O ATOM 873 CB HIS A 69 -6.375 -4.208 -3.549 1.00 0.00 C ATOM 874 CG HIS A 69 -7.333 -3.774 -4.629 1.00 0.00 C ATOM 875 ND1 HIS A 69 -7.110 -3.436 -5.917 1.00 0.00 N flip ATOM 876 CD2 HIS A 69 -8.685 -3.652 -4.441 1.00 0.00 C flip ATOM 877 CE1 HIS A 69 -8.309 -3.110 -6.474 1.00 0.00 C flip ATOM 878 NE2 HIS A 69 -9.242 -3.249 -5.567 1.00 0.00 N flip ATOM 0 H HIS A 69 -4.567 -4.561 -1.837 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.557 -3.683 -4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.232 -5.286 -3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.826 -4.008 -2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.210 -3.853 -3.519 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.464 -2.790 -7.494 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -10.237 -3.074 -5.708 1.00 0.00 H new ATOM 887 N TRP A 70 -5.297 -1.260 -4.537 1.00 0.00 N ATOM 888 CA TRP A 70 -5.441 0.211 -4.563 1.00 0.00 C ATOM 889 C TRP A 70 -6.660 0.687 -3.747 1.00 0.00 C ATOM 890 O TRP A 70 -6.551 1.607 -2.940 1.00 0.00 O ATOM 891 CB TRP A 70 -5.598 0.697 -6.018 1.00 0.00 C ATOM 892 CG TRP A 70 -4.399 0.480 -6.901 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.254 -0.453 -7.887 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.189 1.244 -6.886 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.021 -0.344 -8.466 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.350 0.708 -7.880 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.741 2.334 -6.125 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.086 1.229 -8.128 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.487 2.845 -6.369 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.676 2.299 -7.365 1.00 0.00 C ATOM 0 H TRP A 70 -5.335 -1.683 -5.465 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.541 0.631 -4.114 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.453 0.189 -6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.831 1.762 -6.005 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.007 -1.174 -8.169 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.658 -0.942 -9.208 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.370 2.765 -5.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.448 0.810 -8.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.126 3.678 -5.783 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.299 2.727 -7.542 1.00 0.00 H new ATOM 911 N HIS A 71 -7.827 0.052 -3.986 1.00 0.00 N ATOM 912 CA HIS A 71 -9.101 0.431 -3.324 1.00 0.00 C ATOM 913 C HIS A 71 -9.044 0.104 -1.823 1.00 0.00 C ATOM 914 O HIS A 71 -9.675 0.767 -1.000 1.00 0.00 O ATOM 915 CB HIS A 71 -10.282 -0.300 -4.004 1.00 0.00 C ATOM 916 CG HIS A 71 -11.653 0.119 -3.530 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.377 1.228 -3.796 1.00 0.00 N flip ATOM 918 CD2 HIS A 71 -12.438 -0.647 -2.698 1.00 0.00 C flip ATOM 919 CE1 HIS A 71 -13.567 1.111 -3.132 1.00 0.00 C flip ATOM 920 NE2 HIS A 71 -13.579 -0.025 -2.476 1.00 0.00 N flip ATOM 0 H HIS A 71 -7.917 -0.730 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.251 1.506 -3.428 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.220 -0.135 -5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.169 -1.372 -3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.162 -1.608 -2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.367 1.836 -3.146 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.342 -0.369 -1.893 1.00 0.00 H new ATOM 929 N MET A 72 -8.237 -0.909 -1.495 1.00 0.00 N ATOM 930 CA MET A 72 -8.021 -1.379 -0.118 1.00 0.00 C ATOM 931 C MET A 72 -6.787 -0.703 0.511 1.00 0.00 C ATOM 932 O MET A 72 -6.355 -1.084 1.604 1.00 0.00 O ATOM 933 CB MET A 72 -7.871 -2.918 -0.157 1.00 0.00 C ATOM 934 CG MET A 72 -9.143 -3.652 -0.625 1.00 0.00 C ATOM 935 SD MET A 72 -8.802 -5.261 -1.368 1.00 0.00 S ATOM 936 CE MET A 72 -7.825 -6.049 -0.094 1.00 0.00 C ATOM 0 H MET A 72 -7.705 -1.436 -2.188 1.00 0.00 H new ATOM 0 HA MET A 72 -8.872 -1.111 0.509 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.047 -3.177 -0.822 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.602 -3.273 0.838 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.811 -3.786 0.226 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.669 -3.029 -1.348 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.368 -6.954 -0.494 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.045 -5.366 0.241 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.466 -6.308 0.748 1.00 0.00 H new ATOM 946 N LEU A 73 -6.239 0.309 -0.187 1.00 0.00 N ATOM 947 CA LEU A 73 -5.117 1.114 0.295 1.00 0.00 C ATOM 948 C LEU A 73 -5.611 2.541 0.565 1.00 0.00 C ATOM 949 O LEU A 73 -6.104 3.219 -0.337 1.00 0.00 O ATOM 950 CB LEU A 73 -3.960 1.126 -0.746 1.00 0.00 C ATOM 951 CG LEU A 73 -2.623 1.762 -0.255 1.00 0.00 C ATOM 952 CD1 LEU A 73 -2.059 0.975 0.944 1.00 0.00 C ATOM 953 CD2 LEU A 73 -1.590 1.873 -1.401 1.00 0.00 C ATOM 0 H LEU A 73 -6.571 0.588 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.730 0.680 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.762 0.100 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.296 1.667 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.835 2.778 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.126 1.433 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.780 0.991 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.872 -0.057 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.672 2.321 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.374 0.879 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.995 2.497 -2.197 1.00 0.00 H new ATOM 965 N GLU A 74 -5.472 2.967 1.817 1.00 0.00 N ATOM 966 CA GLU A 74 -5.779 4.328 2.277 1.00 0.00 C ATOM 967 C GLU A 74 -4.456 5.036 2.554 1.00 0.00 C ATOM 968 O GLU A 74 -3.577 4.434 3.122 1.00 0.00 O ATOM 969 CB GLU A 74 -6.633 4.247 3.569 1.00 0.00 C ATOM 970 CG GLU A 74 -6.866 5.589 4.278 1.00 0.00 C ATOM 971 CD GLU A 74 -7.706 5.442 5.555 1.00 0.00 C ATOM 972 OE1 GLU A 74 -7.173 4.938 6.569 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.905 5.797 5.546 1.00 0.00 O ATOM 0 H GLU A 74 -5.133 2.362 2.565 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.342 4.880 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.601 3.812 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.146 3.565 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.904 6.035 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.367 6.275 3.595 1.00 0.00 H new ATOM 980 N ILE A 75 -4.277 6.290 2.137 1.00 0.00 N ATOM 981 CA ILE A 75 -3.003 7.011 2.370 1.00 0.00 C ATOM 982 C ILE A 75 -3.172 8.166 3.371 1.00 0.00 C ATOM 983 O ILE A 75 -3.966 9.086 3.161 1.00 0.00 O ATOM 984 CB ILE A 75 -2.358 7.487 1.024 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.359 8.325 0.164 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.852 6.263 0.234 1.00 0.00 C ATOM 987 CD1 ILE A 75 -2.799 8.821 -1.159 1.00 0.00 C ATOM 0 H ILE A 75 -4.984 6.832 1.640 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.309 6.304 2.825 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.517 8.139 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.242 7.718 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.688 9.184 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.403 6.594 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.107 5.731 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.688 5.597 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.563 9.392 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.935 9.458 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.497 7.969 -1.768 1.00 0.00 H new ATOM 999 N LEU A 76 -2.436 8.069 4.492 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.344 9.124 5.529 1.00 0.00 C ATOM 1001 C LEU A 76 -1.087 9.997 5.308 1.00 0.00 C ATOM 1002 O LEU A 76 -0.832 10.926 6.082 1.00 0.00 O ATOM 1003 CB LEU A 76 -2.327 8.483 6.958 1.00 0.00 C ATOM 1004 CG LEU A 76 -3.719 8.164 7.611 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -4.611 7.301 6.705 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -3.540 7.509 9.003 1.00 0.00 C ATOM 0 H LEU A 76 -1.878 7.244 4.711 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.222 9.765 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.756 7.556 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.786 9.155 7.624 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.233 9.116 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.561 7.110 7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.793 7.826 5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.113 6.354 6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.519 7.298 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.981 6.579 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.994 8.189 9.657 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.300 9.660 4.265 1.00 0.00 N ATOM 1019 CA GLY A 77 0.862 10.453 3.853 1.00 0.00 C ATOM 1020 C GLY A 77 0.503 11.905 3.532 1.00 0.00 C ATOM 1021 O GLY A 77 1.008 12.820 4.189 1.00 0.00 O ATOM 0 H GLY A 77 -0.457 8.832 3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.609 10.435 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.318 9.993 2.976 1.00 0.00 H new TER 1025 GLY A 77