USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 936 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 60 ASN :FLIP amide:sc= -7.85! C(o=-30!,f=-30!) USER MOD Set 1.2: A 62 HIS :FLIP no HE2:sc= -7.47! C(o=-32!,f=-30!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -14.5! C(o=-30!,f=-30!) USER MOD Set 1.4: A 109 TYR OH : rot -166:sc= 0.121 USER MOD Set 2.1: A 44 CYS SG : rot 14:sc= -4.16! USER MOD Set 2.2: A 69 SER OG : rot -138:sc= -2.05! USER MOD Single : A 1 VAL N :NH3+ -157:sc= -1.47 (180deg=-2.38) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0116 (180deg=-0.26) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 30:sc= -0.113 USER MOD Single : A 15 THR OG1 : rot -12:sc= 0.776 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.195 F(o=-0.91,f=-0.2) USER MOD Single : A 25 ASN : amide:sc= -13.6! C(o=-14!,f=-22!) USER MOD Single : A 26 MET CE :methyl 140:sc= -2.2 (180deg=-4.96!) USER MOD Single : A 28 MET CE :methyl -105:sc= -13.1! (180deg=-16.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= -0.194 (180deg=-1.04) USER MOD Single : A 35 SER OG : rot -22:sc= 0.164 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -5.43! C(o=-5.4!,f=-10!) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0.00419 USER MOD Single : A 49 SER OG : rot 180:sc= -5.49! USER MOD Single : A 50 THR OG1 : rot -106:sc= -1.8! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00637 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -132:sc= -5.24! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -4.32! C(o=-4.3!,f=-9.2!) USER MOD Single : A 70 SER OG : rot 168:sc= -3.26! USER MOD Single : A 71 GLN : amide:sc= -0.255 K(o=-0.26,f=-3!) USER MOD Single : A 74 GLN : amide:sc=-0.00861 X(o=-0.0086,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 89:sc= -2.01! USER MOD Single : A 82 THR OG1 : rot 78:sc= 0.00955 USER MOD Single : A 83 GLN : amide:sc= -0.561 K(o=-0.56,f=-1.1) USER MOD Single : A 84 MET CE :methyl 170:sc= -6.37! (180deg=-7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.647 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 99 GLN : amide:sc=-0.00869 X(o=-0.0087,f=0.33) USER MOD Single : A 101 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.27) USER MOD Single : A 103 SER OG : rot 146:sc= 1.03 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00098) USER MOD Single : A 112 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.42) USER MOD Single : A 116 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 117 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.675) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.137 F(o=-0.78,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.625 -17.098 -27.878 1.00 0.00 N ATOM 2 CA VAL A 1 13.950 -17.154 -28.557 1.00 0.00 C ATOM 3 C VAL A 1 14.413 -15.734 -28.888 1.00 0.00 C ATOM 4 O VAL A 1 13.630 -14.899 -29.296 1.00 0.00 O ATOM 5 CB VAL A 1 13.828 -17.963 -29.849 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.202 -18.509 -30.242 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.862 -19.129 -29.630 1.00 0.00 C ATOM 0 H1 VAL A 1 12.485 -17.963 -27.318 1.00 0.00 H new ATOM 0 H2 VAL A 1 12.591 -16.270 -27.250 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.872 -17.022 -28.592 1.00 0.00 H new ATOM 0 HA VAL A 1 14.676 -17.630 -27.898 1.00 0.00 H new ATOM 0 HB VAL A 1 13.451 -17.321 -30.645 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.115 -19.086 -31.163 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.892 -17.680 -30.397 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.579 -19.151 -29.446 1.00 0.00 H new ATOM 0 HG21 VAL A 1 12.774 -19.706 -30.550 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.240 -19.770 -28.834 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.882 -18.742 -29.350 1.00 0.00 H new ATOM 19 N GLU A 2 15.679 -15.459 -28.717 1.00 0.00 N ATOM 20 CA GLU A 2 16.203 -14.095 -29.019 1.00 0.00 C ATOM 21 C GLU A 2 15.201 -13.039 -28.545 1.00 0.00 C ATOM 22 O GLU A 2 14.837 -12.142 -29.280 1.00 0.00 O ATOM 23 CB GLU A 2 16.424 -13.954 -30.528 1.00 0.00 C ATOM 24 CG GLU A 2 15.101 -14.168 -31.264 1.00 0.00 C ATOM 25 CD GLU A 2 15.266 -13.784 -32.735 1.00 0.00 C ATOM 26 OE1 GLU A 2 16.061 -14.419 -33.408 1.00 0.00 O ATOM 27 OE2 GLU A 2 14.595 -12.860 -33.164 1.00 0.00 O ATOM 0 H GLU A 2 16.375 -16.123 -28.380 1.00 0.00 H new ATOM 0 HA GLU A 2 17.150 -13.950 -28.499 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.823 -12.966 -30.756 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.162 -14.681 -30.867 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.792 -15.210 -31.182 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.317 -13.566 -30.806 1.00 0.00 H new ATOM 34 N LEU A 3 14.755 -13.140 -27.323 1.00 0.00 N ATOM 35 CA LEU A 3 13.778 -12.143 -26.798 1.00 0.00 C ATOM 36 C LEU A 3 14.205 -10.736 -27.227 1.00 0.00 C ATOM 37 O LEU A 3 13.391 -9.849 -27.378 1.00 0.00 O ATOM 38 CB LEU A 3 13.736 -12.229 -25.267 1.00 0.00 C ATOM 39 CG LEU A 3 14.959 -11.524 -24.670 1.00 0.00 C ATOM 40 CD1 LEU A 3 14.551 -10.141 -24.161 1.00 0.00 C ATOM 41 CD2 LEU A 3 15.505 -12.349 -23.505 1.00 0.00 C ATOM 0 H LEU A 3 15.025 -13.870 -26.664 1.00 0.00 H new ATOM 0 HA LEU A 3 12.787 -12.355 -27.198 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.822 -11.768 -24.893 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.718 -13.273 -24.953 1.00 0.00 H new ATOM 0 HG LEU A 3 15.727 -11.420 -25.436 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.420 -9.639 -23.736 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.159 -9.550 -24.989 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.783 -10.247 -23.395 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.375 -11.848 -23.080 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.736 -12.451 -22.740 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.795 -13.337 -23.863 1.00 0.00 H new ATOM 53 N SER A 4 15.478 -10.526 -27.418 1.00 0.00 N ATOM 54 CA SER A 4 15.959 -9.176 -27.829 1.00 0.00 C ATOM 55 C SER A 4 15.268 -8.748 -29.125 1.00 0.00 C ATOM 56 O SER A 4 15.024 -9.549 -30.005 1.00 0.00 O ATOM 57 CB SER A 4 17.472 -9.221 -28.049 1.00 0.00 C ATOM 58 OG SER A 4 17.740 -9.656 -29.376 1.00 0.00 O ATOM 0 H SER A 4 16.207 -11.231 -27.307 1.00 0.00 H new ATOM 0 HA SER A 4 15.723 -8.457 -27.044 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.905 -8.235 -27.883 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.936 -9.898 -27.331 1.00 0.00 H new ATOM 0 HG SER A 4 18.709 -9.685 -29.522 1.00 0.00 H new ATOM 64 N LYS A 5 14.957 -7.485 -29.246 1.00 0.00 N ATOM 65 CA LYS A 5 14.285 -6.981 -30.480 1.00 0.00 C ATOM 66 C LYS A 5 12.821 -7.437 -30.494 1.00 0.00 C ATOM 67 O LYS A 5 11.928 -6.681 -30.166 1.00 0.00 O ATOM 68 CB LYS A 5 15.013 -7.511 -31.720 1.00 0.00 C ATOM 69 CG LYS A 5 14.522 -6.759 -32.959 1.00 0.00 C ATOM 70 CD LYS A 5 15.593 -6.818 -34.050 1.00 0.00 C ATOM 71 CE LYS A 5 16.188 -5.424 -34.257 1.00 0.00 C ATOM 72 NZ LYS A 5 16.921 -5.384 -35.554 1.00 0.00 N ATOM 0 H LYS A 5 15.141 -6.775 -28.537 1.00 0.00 H new ATOM 0 HA LYS A 5 14.318 -5.892 -30.489 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.089 -7.382 -31.606 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.830 -8.580 -31.834 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.594 -7.201 -33.322 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.303 -5.722 -32.705 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.377 -7.521 -33.768 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.159 -7.182 -34.981 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.396 -4.675 -34.251 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.864 -5.180 -33.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.326 -4.436 -35.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.686 -6.089 -35.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.264 -5.599 -36.331 1.00 0.00 H new ATOM 86 N LYS A 6 12.561 -8.663 -30.865 1.00 0.00 N ATOM 87 CA LYS A 6 11.150 -9.145 -30.888 1.00 0.00 C ATOM 88 C LYS A 6 10.456 -8.711 -29.597 1.00 0.00 C ATOM 89 O LYS A 6 9.255 -8.526 -29.554 1.00 0.00 O ATOM 90 CB LYS A 6 11.130 -10.671 -30.995 1.00 0.00 C ATOM 91 CG LYS A 6 10.849 -11.077 -32.442 1.00 0.00 C ATOM 92 CD LYS A 6 9.906 -12.282 -32.463 1.00 0.00 C ATOM 93 CE LYS A 6 9.858 -12.870 -33.874 1.00 0.00 C ATOM 94 NZ LYS A 6 9.394 -11.828 -34.832 1.00 0.00 N ATOM 0 H LYS A 6 13.261 -9.348 -31.151 1.00 0.00 H new ATOM 0 HA LYS A 6 10.629 -8.721 -31.747 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.086 -11.082 -30.670 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.366 -11.082 -30.336 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.402 -10.243 -32.984 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.782 -11.324 -32.949 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.248 -13.037 -31.755 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.907 -11.980 -32.149 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.845 -13.231 -34.163 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.186 -13.727 -33.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.135 -12.276 -35.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.566 -11.338 -34.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.158 -11.141 -34.994 1.00 0.00 H new ATOM 108 N VAL A 7 11.209 -8.538 -28.547 1.00 0.00 N ATOM 109 CA VAL A 7 10.608 -8.105 -27.255 1.00 0.00 C ATOM 110 C VAL A 7 10.980 -6.645 -27.005 1.00 0.00 C ATOM 111 O VAL A 7 10.214 -5.883 -26.447 1.00 0.00 O ATOM 112 CB VAL A 7 11.153 -8.973 -26.119 1.00 0.00 C ATOM 113 CG1 VAL A 7 10.453 -8.603 -24.811 1.00 0.00 C ATOM 114 CG2 VAL A 7 10.893 -10.447 -26.436 1.00 0.00 C ATOM 0 H VAL A 7 12.219 -8.678 -28.528 1.00 0.00 H new ATOM 0 HA VAL A 7 9.524 -8.211 -27.297 1.00 0.00 H new ATOM 0 HB VAL A 7 12.225 -8.805 -26.016 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.842 -9.222 -24.002 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.637 -7.553 -24.585 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.381 -8.770 -24.912 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.281 -11.067 -25.628 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.821 -10.613 -26.539 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.392 -10.712 -27.368 1.00 0.00 H new ATOM 124 N THR A 8 12.151 -6.247 -27.423 1.00 0.00 N ATOM 125 CA THR A 8 12.574 -4.834 -27.220 1.00 0.00 C ATOM 126 C THR A 8 12.081 -3.990 -28.395 1.00 0.00 C ATOM 127 O THR A 8 11.096 -4.311 -29.030 1.00 0.00 O ATOM 128 CB THR A 8 14.101 -4.760 -27.139 1.00 0.00 C ATOM 129 OG1 THR A 8 14.647 -4.836 -28.449 1.00 0.00 O ATOM 130 CG2 THR A 8 14.628 -5.921 -26.295 1.00 0.00 C ATOM 0 H THR A 8 12.832 -6.840 -27.896 1.00 0.00 H new ATOM 0 HA THR A 8 12.148 -4.454 -26.291 1.00 0.00 H new ATOM 0 HB THR A 8 14.395 -3.818 -26.677 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.625 -4.787 -28.399 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.715 -5.866 -26.239 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.209 -5.860 -25.290 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.336 -6.866 -26.753 1.00 0.00 H new ATOM 138 N GLY A 9 12.756 -2.914 -28.691 1.00 0.00 N ATOM 139 CA GLY A 9 12.321 -2.049 -29.825 1.00 0.00 C ATOM 140 C GLY A 9 11.237 -1.081 -29.342 1.00 0.00 C ATOM 141 O GLY A 9 11.265 0.097 -29.642 1.00 0.00 O ATOM 0 H GLY A 9 13.590 -2.596 -28.197 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.171 -1.492 -30.219 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.938 -2.664 -30.639 1.00 0.00 H new ATOM 145 N LYS A 10 10.284 -1.566 -28.594 1.00 0.00 N ATOM 146 CA LYS A 10 9.200 -0.680 -28.088 1.00 0.00 C ATOM 147 C LYS A 10 8.409 -1.422 -27.008 1.00 0.00 C ATOM 148 O LYS A 10 7.225 -1.658 -27.145 1.00 0.00 O ATOM 149 CB LYS A 10 8.266 -0.306 -29.242 1.00 0.00 C ATOM 150 CG LYS A 10 8.166 -1.479 -30.220 1.00 0.00 C ATOM 151 CD LYS A 10 9.140 -1.261 -31.380 1.00 0.00 C ATOM 152 CE LYS A 10 8.357 -0.891 -32.642 1.00 0.00 C ATOM 153 NZ LYS A 10 9.278 -0.261 -33.631 1.00 0.00 N ATOM 0 H LYS A 10 10.210 -2.543 -28.311 1.00 0.00 H new ATOM 0 HA LYS A 10 9.633 0.227 -27.667 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.278 -0.055 -28.857 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.642 0.579 -29.756 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.397 -2.413 -29.708 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.147 -1.565 -30.598 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.846 -0.468 -31.132 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.724 -2.165 -31.553 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.898 -1.781 -33.072 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.548 -0.204 -32.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.747 -0.009 -34.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.696 0.597 -33.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.035 -0.931 -33.877 1.00 0.00 H new ATOM 167 N LEU A 11 9.059 -1.796 -25.937 1.00 0.00 N ATOM 168 CA LEU A 11 8.353 -2.526 -24.845 1.00 0.00 C ATOM 169 C LEU A 11 6.981 -1.893 -24.606 1.00 0.00 C ATOM 170 O LEU A 11 5.958 -2.462 -24.932 1.00 0.00 O ATOM 171 CB LEU A 11 9.182 -2.447 -23.561 1.00 0.00 C ATOM 172 CG LEU A 11 9.922 -3.769 -23.345 1.00 0.00 C ATOM 173 CD1 LEU A 11 11.114 -3.848 -24.300 1.00 0.00 C ATOM 174 CD2 LEU A 11 10.423 -3.845 -21.901 1.00 0.00 C ATOM 0 H LEU A 11 10.051 -1.626 -25.772 1.00 0.00 H new ATOM 0 HA LEU A 11 8.224 -3.569 -25.132 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.896 -1.626 -23.627 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.534 -2.238 -22.710 1.00 0.00 H new ATOM 0 HG LEU A 11 9.243 -4.600 -23.539 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.641 -4.789 -24.146 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.760 -3.794 -25.329 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.792 -3.017 -24.106 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.950 -4.787 -21.748 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.101 -3.014 -21.707 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.575 -3.788 -21.218 1.00 0.00 H new ATOM 186 N ASP A 12 6.950 -0.718 -24.040 1.00 0.00 N ATOM 187 CA ASP A 12 5.643 -0.050 -23.782 1.00 0.00 C ATOM 188 C ASP A 12 5.804 1.463 -23.943 1.00 0.00 C ATOM 189 O ASP A 12 5.859 2.197 -22.977 1.00 0.00 O ATOM 190 CB ASP A 12 5.182 -0.367 -22.357 1.00 0.00 C ATOM 191 CG ASP A 12 4.274 -1.598 -22.376 1.00 0.00 C ATOM 192 OD1 ASP A 12 4.013 -2.101 -23.456 1.00 0.00 O ATOM 193 OD2 ASP A 12 3.856 -2.016 -21.309 1.00 0.00 O ATOM 0 H ASP A 12 7.773 -0.192 -23.745 1.00 0.00 H new ATOM 0 HA ASP A 12 4.901 -0.413 -24.493 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.045 -0.548 -21.716 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.648 0.486 -21.938 1.00 0.00 H new ATOM 198 N LYS A 13 5.880 1.934 -25.157 1.00 0.00 N ATOM 199 CA LYS A 13 6.038 3.399 -25.381 1.00 0.00 C ATOM 200 C LYS A 13 4.660 4.045 -25.526 1.00 0.00 C ATOM 201 O LYS A 13 3.857 3.641 -26.344 1.00 0.00 O ATOM 202 CB LYS A 13 6.851 3.634 -26.656 1.00 0.00 C ATOM 203 CG LYS A 13 8.114 2.772 -26.624 1.00 0.00 C ATOM 204 CD LYS A 13 9.315 3.639 -26.240 1.00 0.00 C ATOM 205 CE LYS A 13 10.475 2.740 -25.805 1.00 0.00 C ATOM 206 NZ LYS A 13 11.744 3.521 -25.826 1.00 0.00 N ATOM 0 H LYS A 13 5.840 1.368 -26.004 1.00 0.00 H new ATOM 0 HA LYS A 13 6.558 3.843 -24.532 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.252 3.387 -27.532 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.119 4.687 -26.740 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.994 1.960 -25.907 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.279 2.314 -27.599 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.617 4.256 -27.086 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.044 4.317 -25.431 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.292 2.351 -24.804 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.553 1.881 -26.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.532 2.910 -25.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.920 3.872 -26.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.667 4.327 -25.173 1.00 0.00 H new ATOM 220 N THR A 14 4.381 5.044 -24.737 1.00 0.00 N ATOM 221 CA THR A 14 3.057 5.720 -24.824 1.00 0.00 C ATOM 222 C THR A 14 1.948 4.672 -24.823 1.00 0.00 C ATOM 223 O THR A 14 1.138 4.605 -25.727 1.00 0.00 O ATOM 224 CB THR A 14 2.991 6.549 -26.107 1.00 0.00 C ATOM 225 OG1 THR A 14 3.396 5.751 -27.210 1.00 0.00 O ATOM 226 CG2 THR A 14 3.926 7.751 -25.973 1.00 0.00 C ATOM 0 H THR A 14 5.015 5.423 -24.033 1.00 0.00 H new ATOM 0 HA THR A 14 2.926 6.379 -23.966 1.00 0.00 H new ATOM 0 HB THR A 14 1.970 6.894 -26.270 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.165 4.814 -27.038 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.885 8.348 -26.884 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.615 8.361 -25.125 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.946 7.402 -25.814 1.00 0.00 H new ATOM 234 N THR A 15 1.905 3.854 -23.809 1.00 0.00 N ATOM 235 CA THR A 15 0.849 2.807 -23.737 1.00 0.00 C ATOM 236 C THR A 15 0.749 2.288 -22.297 1.00 0.00 C ATOM 237 O THR A 15 1.595 1.536 -21.856 1.00 0.00 O ATOM 238 CB THR A 15 1.219 1.649 -24.669 1.00 0.00 C ATOM 239 OG1 THR A 15 1.265 2.120 -26.009 1.00 0.00 O ATOM 240 CG2 THR A 15 0.170 0.542 -24.551 1.00 0.00 C ATOM 0 H THR A 15 2.557 3.866 -23.025 1.00 0.00 H new ATOM 0 HA THR A 15 -0.108 3.230 -24.042 1.00 0.00 H new ATOM 0 HB THR A 15 2.195 1.252 -24.388 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.864 3.013 -26.056 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.434 -0.282 -25.214 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.135 0.182 -23.523 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.807 0.935 -24.832 1.00 0.00 H new ATOM 248 N PRO A 16 -0.284 2.705 -21.606 1.00 0.00 N ATOM 249 CA PRO A 16 -0.515 2.295 -20.210 1.00 0.00 C ATOM 250 C PRO A 16 -1.070 0.868 -20.158 1.00 0.00 C ATOM 251 O PRO A 16 -2.007 0.528 -20.854 1.00 0.00 O ATOM 252 CB PRO A 16 -1.546 3.307 -19.702 1.00 0.00 C ATOM 253 CG PRO A 16 -2.256 3.870 -20.956 1.00 0.00 C ATOM 254 CD PRO A 16 -1.312 3.617 -22.147 1.00 0.00 C ATOM 0 HA PRO A 16 0.394 2.287 -19.608 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.261 2.830 -19.031 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.063 4.105 -19.138 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.216 3.378 -21.111 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.458 4.935 -20.841 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.842 3.167 -22.987 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.870 4.545 -22.509 1.00 0.00 H new ATOM 262 N GLY A 17 -0.494 0.031 -19.340 1.00 0.00 N ATOM 263 CA GLY A 17 -0.976 -1.377 -19.243 1.00 0.00 C ATOM 264 C GLY A 17 0.234 -2.307 -19.219 1.00 0.00 C ATOM 265 O GLY A 17 1.356 -1.877 -19.401 1.00 0.00 O ATOM 0 H GLY A 17 0.292 0.262 -18.732 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.573 -1.511 -18.341 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.619 -1.616 -20.090 1.00 0.00 H new ATOM 269 N ILE A 18 0.032 -3.576 -18.997 1.00 0.00 N ATOM 270 CA ILE A 18 1.202 -4.498 -18.967 1.00 0.00 C ATOM 271 C ILE A 18 0.995 -5.657 -19.942 1.00 0.00 C ATOM 272 O ILE A 18 -0.097 -6.160 -20.121 1.00 0.00 O ATOM 273 CB ILE A 18 1.435 -5.035 -17.533 1.00 0.00 C ATOM 274 CG1 ILE A 18 0.899 -6.459 -17.366 1.00 0.00 C ATOM 275 CG2 ILE A 18 0.730 -4.151 -16.514 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.605 -6.487 -17.638 1.00 0.00 C ATOM 0 H ILE A 18 -0.877 -4.010 -18.837 1.00 0.00 H new ATOM 0 HA ILE A 18 2.086 -3.940 -19.275 1.00 0.00 H new ATOM 0 HB ILE A 18 2.512 -5.032 -17.368 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.413 -7.133 -18.051 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.101 -6.816 -16.356 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.903 -4.542 -15.511 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.121 -3.136 -16.580 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.340 -4.141 -16.719 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.978 -7.504 -17.517 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.114 -5.828 -16.935 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.797 -6.149 -18.656 1.00 0.00 H new ATOM 288 N GLN A 19 2.056 -6.099 -20.545 1.00 0.00 N ATOM 289 CA GLN A 19 1.970 -7.250 -21.481 1.00 0.00 C ATOM 290 C GLN A 19 2.719 -8.411 -20.834 1.00 0.00 C ATOM 291 O GLN A 19 3.427 -8.221 -19.867 1.00 0.00 O ATOM 292 CB GLN A 19 2.628 -6.886 -22.815 1.00 0.00 C ATOM 293 CG GLN A 19 1.903 -5.688 -23.431 1.00 0.00 C ATOM 294 CD GLN A 19 2.777 -5.074 -24.527 1.00 0.00 C ATOM 295 OE1 GLN A 19 3.973 -4.648 -24.228 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 2.366 -4.981 -25.667 1.00 0.00 N flip ATOM 0 H GLN A 19 2.991 -5.708 -20.429 1.00 0.00 H new ATOM 0 HA GLN A 19 0.931 -7.517 -21.675 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.680 -6.648 -22.661 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.590 -7.737 -23.495 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.946 -6.003 -23.847 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.688 -4.945 -22.663 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.431 -5.314 -25.901 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.956 -4.570 -26.390 1.00 0.00 H new ATOM 305 N ILE A 20 2.585 -9.608 -21.325 1.00 0.00 N ATOM 306 CA ILE A 20 3.326 -10.722 -20.672 1.00 0.00 C ATOM 307 C ILE A 20 4.042 -11.562 -21.718 1.00 0.00 C ATOM 308 O ILE A 20 3.699 -11.545 -22.873 1.00 0.00 O ATOM 309 CB ILE A 20 2.361 -11.623 -19.898 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.528 -10.785 -18.932 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.159 -12.663 -19.112 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.254 -11.555 -18.587 1.00 0.00 C ATOM 0 H ILE A 20 2.011 -9.862 -22.129 1.00 0.00 H new ATOM 0 HA ILE A 20 4.053 -10.288 -19.986 1.00 0.00 H new ATOM 0 HB ILE A 20 1.696 -12.124 -20.601 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.098 -10.573 -18.027 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.278 -9.825 -19.383 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.474 -13.306 -18.560 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.748 -13.268 -19.802 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.826 -12.158 -18.413 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.351 -10.967 -17.897 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.315 -11.744 -19.497 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.518 -12.504 -18.120 1.00 0.00 H new ATOM 324 N TRP A 21 5.017 -12.325 -21.312 1.00 0.00 N ATOM 325 CA TRP A 21 5.729 -13.202 -22.280 1.00 0.00 C ATOM 326 C TRP A 21 5.570 -14.638 -21.793 1.00 0.00 C ATOM 327 O TRP A 21 5.910 -14.959 -20.671 1.00 0.00 O ATOM 328 CB TRP A 21 7.214 -12.842 -22.346 1.00 0.00 C ATOM 329 CG TRP A 21 7.408 -11.650 -23.230 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.909 -11.681 -24.490 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.115 -10.254 -22.940 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.941 -10.387 -24.986 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.460 -9.473 -24.066 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.587 -9.598 -21.817 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.285 -8.086 -24.074 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.410 -8.207 -21.820 1.00 0.00 C ATOM 337 CH2 TRP A 21 6.758 -7.452 -22.947 1.00 0.00 C ATOM 0 H TRP A 21 5.352 -12.379 -20.350 1.00 0.00 H new ATOM 0 HA TRP A 21 5.311 -13.076 -23.279 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.591 -12.629 -21.346 1.00 0.00 H new ATOM 0 HB3 TRP A 21 7.786 -13.687 -22.729 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.230 -12.566 -25.019 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.278 -10.139 -25.916 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.315 -10.170 -20.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.556 -7.509 -24.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.003 -7.715 -20.949 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.619 -6.381 -22.944 1.00 0.00 H new ATOM 348 N ARG A 22 5.028 -15.502 -22.600 1.00 0.00 N ATOM 349 CA ARG A 22 4.829 -16.900 -22.140 1.00 0.00 C ATOM 350 C ARG A 22 6.130 -17.692 -22.238 1.00 0.00 C ATOM 351 O ARG A 22 6.797 -17.709 -23.255 1.00 0.00 O ATOM 352 CB ARG A 22 3.744 -17.580 -22.981 1.00 0.00 C ATOM 353 CG ARG A 22 4.011 -17.347 -24.469 1.00 0.00 C ATOM 354 CD ARG A 22 2.793 -16.672 -25.105 1.00 0.00 C ATOM 355 NE ARG A 22 1.546 -17.252 -24.533 1.00 0.00 N ATOM 356 CZ ARG A 22 1.139 -18.432 -24.914 1.00 0.00 C ATOM 357 NH1 ARG A 22 0.619 -18.590 -26.101 1.00 0.00 N ATOM 358 NH2 ARG A 22 1.252 -19.453 -24.110 1.00 0.00 N ATOM 0 H ARG A 22 4.716 -15.303 -23.551 1.00 0.00 H new ATOM 0 HA ARG A 22 4.515 -16.876 -21.097 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.726 -18.649 -22.770 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.764 -17.185 -22.713 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.895 -16.722 -24.598 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.216 -18.295 -24.966 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.823 -15.598 -24.923 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.809 -16.813 -26.186 1.00 0.00 H new ATOM 0 HE ARG A 22 1.010 -16.726 -23.843 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.531 -17.792 -26.730 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.301 -19.512 -26.400 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.659 -19.329 -23.183 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.934 -20.375 -24.409 1.00 0.00 H new ATOM 372 N ILE A 23 6.477 -18.358 -21.173 1.00 0.00 N ATOM 373 CA ILE A 23 7.713 -19.185 -21.151 1.00 0.00 C ATOM 374 C ILE A 23 7.326 -20.622 -21.513 1.00 0.00 C ATOM 375 O ILE A 23 7.981 -21.574 -21.136 1.00 0.00 O ATOM 376 CB ILE A 23 8.310 -19.155 -19.740 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.579 -17.699 -19.325 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.613 -19.953 -19.707 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.894 -17.204 -19.940 1.00 0.00 C ATOM 0 H ILE A 23 5.946 -18.364 -20.302 1.00 0.00 H new ATOM 0 HA ILE A 23 8.447 -18.801 -21.859 1.00 0.00 H new ATOM 0 HB ILE A 23 7.603 -19.604 -19.042 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.756 -17.063 -19.650 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.628 -17.627 -18.239 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.031 -19.926 -18.700 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.414 -20.987 -19.990 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.325 -19.516 -20.407 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.071 -16.172 -19.638 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.716 -17.830 -19.593 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.830 -17.258 -21.027 1.00 0.00 H new ATOM 391 N GLU A 24 6.248 -20.773 -22.234 1.00 0.00 N ATOM 392 CA GLU A 24 5.774 -22.132 -22.627 1.00 0.00 C ATOM 393 C GLU A 24 6.874 -22.864 -23.391 1.00 0.00 C ATOM 394 O GLU A 24 7.852 -22.276 -23.803 1.00 0.00 O ATOM 395 CB GLU A 24 4.537 -22.001 -23.517 1.00 0.00 C ATOM 396 CG GLU A 24 4.945 -21.442 -24.881 1.00 0.00 C ATOM 397 CD GLU A 24 3.703 -21.278 -25.758 1.00 0.00 C ATOM 398 OE1 GLU A 24 2.685 -21.863 -25.426 1.00 0.00 O ATOM 399 OE2 GLU A 24 3.790 -20.569 -26.747 1.00 0.00 O ATOM 0 H GLU A 24 5.669 -20.004 -22.571 1.00 0.00 H new ATOM 0 HA GLU A 24 5.523 -22.698 -21.730 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.059 -22.973 -23.639 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.806 -21.343 -23.047 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.445 -20.481 -24.757 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.657 -22.112 -25.362 1.00 0.00 H new ATOM 406 N ASN A 25 6.721 -24.151 -23.575 1.00 0.00 N ATOM 407 CA ASN A 25 7.760 -24.931 -24.302 1.00 0.00 C ATOM 408 C ASN A 25 9.140 -24.481 -23.826 1.00 0.00 C ATOM 409 O ASN A 25 10.117 -24.562 -24.544 1.00 0.00 O ATOM 410 CB ASN A 25 7.626 -24.696 -25.810 1.00 0.00 C ATOM 411 CG ASN A 25 8.061 -23.270 -26.152 1.00 0.00 C ATOM 412 OD1 ASN A 25 9.155 -22.861 -25.820 1.00 0.00 O ATOM 413 ND2 ASN A 25 7.245 -22.492 -26.808 1.00 0.00 N ATOM 0 H ASN A 25 5.920 -24.693 -23.252 1.00 0.00 H new ATOM 0 HA ASN A 25 7.631 -25.994 -24.100 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.239 -25.414 -26.355 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.594 -24.856 -26.122 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.526 -21.540 -27.042 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.326 -22.836 -27.087 1.00 0.00 H new ATOM 420 N MET A 26 9.223 -24.008 -22.612 1.00 0.00 N ATOM 421 CA MET A 26 10.530 -23.549 -22.073 1.00 0.00 C ATOM 422 C MET A 26 11.149 -22.526 -23.028 1.00 0.00 C ATOM 423 O MET A 26 12.266 -22.682 -23.480 1.00 0.00 O ATOM 424 CB MET A 26 11.465 -24.750 -21.922 1.00 0.00 C ATOM 425 CG MET A 26 10.709 -25.908 -21.260 1.00 0.00 C ATOM 426 SD MET A 26 10.995 -25.873 -19.474 1.00 0.00 S ATOM 427 CE MET A 26 9.258 -25.822 -18.969 1.00 0.00 C ATOM 0 H MET A 26 8.436 -23.920 -21.969 1.00 0.00 H new ATOM 0 HA MET A 26 10.380 -23.082 -21.099 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.840 -25.057 -22.898 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.331 -24.476 -21.320 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.642 -25.827 -21.470 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.044 -26.859 -21.674 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.114 -26.459 -18.097 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.981 -24.798 -18.720 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.631 -26.178 -19.786 1.00 0.00 H new ATOM 437 N GLU A 27 10.433 -21.477 -23.340 1.00 0.00 N ATOM 438 CA GLU A 27 10.985 -20.446 -24.265 1.00 0.00 C ATOM 439 C GLU A 27 10.211 -19.138 -24.090 1.00 0.00 C ATOM 440 O GLU A 27 9.021 -19.138 -23.845 1.00 0.00 O ATOM 441 CB GLU A 27 10.849 -20.931 -25.709 1.00 0.00 C ATOM 442 CG GLU A 27 11.831 -20.170 -26.602 1.00 0.00 C ATOM 443 CD GLU A 27 12.713 -21.168 -27.354 1.00 0.00 C ATOM 444 OE1 GLU A 27 12.314 -21.590 -28.426 1.00 0.00 O ATOM 445 OE2 GLU A 27 13.772 -21.494 -26.844 1.00 0.00 O ATOM 0 H GLU A 27 9.492 -21.291 -22.994 1.00 0.00 H new ATOM 0 HA GLU A 27 12.038 -20.278 -24.037 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.047 -22.001 -25.764 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.829 -20.777 -26.060 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.287 -19.544 -27.309 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.449 -19.505 -25.998 1.00 0.00 H new ATOM 452 N MET A 28 10.874 -18.019 -24.211 1.00 0.00 N ATOM 453 CA MET A 28 10.171 -16.716 -24.045 1.00 0.00 C ATOM 454 C MET A 28 9.355 -16.405 -25.299 1.00 0.00 C ATOM 455 O MET A 28 9.807 -16.581 -26.413 1.00 0.00 O ATOM 456 CB MET A 28 11.197 -15.603 -23.814 1.00 0.00 C ATOM 457 CG MET A 28 10.512 -14.240 -23.938 1.00 0.00 C ATOM 458 SD MET A 28 10.715 -13.317 -22.394 1.00 0.00 S ATOM 459 CE MET A 28 10.146 -14.620 -21.275 1.00 0.00 C ATOM 0 H MET A 28 11.871 -17.952 -24.417 1.00 0.00 H new ATOM 0 HA MET A 28 9.503 -16.777 -23.186 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.646 -15.707 -22.826 1.00 0.00 H new ATOM 0 HB3 MET A 28 12.005 -15.683 -24.541 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.942 -13.679 -24.768 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.453 -14.373 -24.158 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.142 -14.384 -20.922 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.129 -15.573 -21.804 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.823 -14.690 -20.424 1.00 0.00 H new ATOM 469 N VAL A 29 8.150 -15.946 -25.114 1.00 0.00 N ATOM 470 CA VAL A 29 7.280 -15.620 -26.275 1.00 0.00 C ATOM 471 C VAL A 29 6.389 -14.434 -25.889 1.00 0.00 C ATOM 472 O VAL A 29 6.093 -14.249 -24.730 1.00 0.00 O ATOM 473 CB VAL A 29 6.457 -16.875 -26.621 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.999 -16.538 -26.971 1.00 0.00 C ATOM 475 CG2 VAL A 29 7.111 -17.568 -27.815 1.00 0.00 C ATOM 0 H VAL A 29 7.728 -15.782 -24.200 1.00 0.00 H new ATOM 0 HA VAL A 29 7.858 -15.337 -27.155 1.00 0.00 H new ATOM 0 HB VAL A 29 6.442 -17.523 -25.745 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.460 -17.456 -27.207 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.525 -16.047 -26.121 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.977 -15.872 -27.833 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.541 -18.460 -28.075 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.128 -16.887 -28.666 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.131 -17.852 -27.557 1.00 0.00 H new ATOM 485 N PRO A 30 6.000 -13.661 -26.868 1.00 0.00 N ATOM 486 CA PRO A 30 5.151 -12.475 -26.648 1.00 0.00 C ATOM 487 C PRO A 30 3.704 -12.865 -26.317 1.00 0.00 C ATOM 488 O PRO A 30 3.105 -13.704 -26.961 1.00 0.00 O ATOM 489 CB PRO A 30 5.235 -11.719 -27.978 1.00 0.00 C ATOM 490 CG PRO A 30 5.658 -12.757 -29.042 1.00 0.00 C ATOM 491 CD PRO A 30 6.365 -13.893 -28.282 1.00 0.00 C ATOM 0 HA PRO A 30 5.482 -11.877 -25.799 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.274 -11.272 -28.232 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.959 -10.907 -27.918 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.791 -13.133 -29.584 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.325 -12.309 -29.779 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.029 -14.872 -28.625 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.445 -13.858 -28.426 1.00 0.00 H new ATOM 499 N VAL A 31 3.143 -12.239 -25.314 1.00 0.00 N ATOM 500 CA VAL A 31 1.733 -12.530 -24.914 1.00 0.00 C ATOM 501 C VAL A 31 0.916 -11.236 -25.026 1.00 0.00 C ATOM 502 O VAL A 31 1.040 -10.359 -24.188 1.00 0.00 O ATOM 503 CB VAL A 31 1.676 -13.012 -23.457 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.372 -13.773 -23.221 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.852 -13.939 -23.153 1.00 0.00 C ATOM 0 H VAL A 31 3.608 -11.529 -24.748 1.00 0.00 H new ATOM 0 HA VAL A 31 1.332 -13.306 -25.566 1.00 0.00 H new ATOM 0 HB VAL A 31 1.727 -12.142 -22.802 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.332 -14.115 -22.187 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.474 -13.115 -23.418 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.327 -14.633 -23.889 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.795 -14.271 -22.116 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.813 -14.805 -23.814 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.788 -13.403 -23.312 1.00 0.00 H new ATOM 515 N PRO A 32 0.108 -11.152 -26.055 1.00 0.00 N ATOM 516 CA PRO A 32 -0.739 -9.972 -26.304 1.00 0.00 C ATOM 517 C PRO A 32 -1.955 -9.976 -25.371 1.00 0.00 C ATOM 518 O PRO A 32 -1.942 -10.592 -24.323 1.00 0.00 O ATOM 519 CB PRO A 32 -1.163 -10.137 -27.767 1.00 0.00 C ATOM 520 CG PRO A 32 -1.017 -11.639 -28.098 1.00 0.00 C ATOM 521 CD PRO A 32 -0.038 -12.223 -27.063 1.00 0.00 C ATOM 0 HA PRO A 32 -0.226 -9.028 -26.120 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.191 -9.806 -27.913 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.537 -9.532 -28.423 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.982 -12.143 -28.046 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.639 -11.778 -29.111 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.429 -13.138 -26.618 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.920 -12.474 -27.519 1.00 0.00 H new ATOM 529 N THR A 33 -3.005 -9.294 -25.741 1.00 0.00 N ATOM 530 CA THR A 33 -4.217 -9.264 -24.870 1.00 0.00 C ATOM 531 C THR A 33 -4.996 -10.562 -25.054 1.00 0.00 C ATOM 532 O THR A 33 -5.725 -10.991 -24.182 1.00 0.00 O ATOM 533 CB THR A 33 -5.126 -8.082 -25.250 1.00 0.00 C ATOM 534 OG1 THR A 33 -6.197 -8.549 -26.058 1.00 0.00 O ATOM 535 CG2 THR A 33 -4.333 -7.032 -26.024 1.00 0.00 C ATOM 0 H THR A 33 -3.077 -8.758 -26.606 1.00 0.00 H new ATOM 0 HA THR A 33 -3.901 -9.152 -23.833 1.00 0.00 H new ATOM 0 HB THR A 33 -5.518 -7.632 -24.338 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.777 -7.797 -26.299 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.988 -6.202 -26.286 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.513 -6.666 -25.406 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.930 -7.478 -26.933 1.00 0.00 H new ATOM 543 N LYS A 34 -4.857 -11.188 -26.188 1.00 0.00 N ATOM 544 CA LYS A 34 -5.602 -12.450 -26.427 1.00 0.00 C ATOM 545 C LYS A 34 -4.783 -13.640 -25.924 1.00 0.00 C ATOM 546 O LYS A 34 -4.844 -14.722 -26.474 1.00 0.00 O ATOM 547 CB LYS A 34 -5.867 -12.610 -27.926 1.00 0.00 C ATOM 548 CG LYS A 34 -7.374 -12.568 -28.182 1.00 0.00 C ATOM 549 CD LYS A 34 -7.818 -13.880 -28.831 1.00 0.00 C ATOM 550 CE LYS A 34 -7.354 -13.911 -30.289 1.00 0.00 C ATOM 551 NZ LYS A 34 -7.982 -12.782 -31.033 1.00 0.00 N ATOM 0 H LYS A 34 -4.261 -10.880 -26.957 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.550 -12.414 -25.890 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.370 -11.814 -28.481 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.453 -13.554 -28.281 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.909 -12.414 -27.245 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.620 -11.727 -28.831 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.400 -14.727 -28.287 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.903 -13.974 -28.781 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.268 -13.834 -30.338 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.627 -14.861 -30.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.079 -13.038 -32.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.922 -12.584 -30.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.384 -11.935 -30.948 1.00 0.00 H new ATOM 565 N SER A 35 -4.016 -13.454 -24.884 1.00 0.00 N ATOM 566 CA SER A 35 -3.198 -14.583 -24.357 1.00 0.00 C ATOM 567 C SER A 35 -2.893 -14.361 -22.871 1.00 0.00 C ATOM 568 O SER A 35 -2.835 -15.296 -22.097 1.00 0.00 O ATOM 569 CB SER A 35 -1.888 -14.669 -25.140 1.00 0.00 C ATOM 570 OG SER A 35 -2.176 -14.721 -26.532 1.00 0.00 O ATOM 0 H SER A 35 -3.921 -12.573 -24.379 1.00 0.00 H new ATOM 0 HA SER A 35 -3.755 -15.513 -24.471 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.261 -13.805 -24.918 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.328 -15.555 -24.839 1.00 0.00 H new ATOM 0 HG SER A 35 -3.091 -15.045 -26.665 1.00 0.00 H new ATOM 576 N TYR A 36 -2.693 -13.136 -22.463 1.00 0.00 N ATOM 577 CA TYR A 36 -2.387 -12.870 -21.028 1.00 0.00 C ATOM 578 C TYR A 36 -3.543 -13.362 -20.152 1.00 0.00 C ATOM 579 O TYR A 36 -3.340 -13.934 -19.100 1.00 0.00 O ATOM 580 CB TYR A 36 -2.180 -11.362 -20.819 1.00 0.00 C ATOM 581 CG TYR A 36 -3.515 -10.656 -20.724 1.00 0.00 C ATOM 582 CD1 TYR A 36 -4.264 -10.415 -21.881 1.00 0.00 C ATOM 583 CD2 TYR A 36 -3.998 -10.240 -19.477 1.00 0.00 C ATOM 584 CE1 TYR A 36 -5.497 -9.756 -21.792 1.00 0.00 C ATOM 585 CE2 TYR A 36 -5.231 -9.584 -19.388 1.00 0.00 C ATOM 586 CZ TYR A 36 -5.981 -9.341 -20.545 1.00 0.00 C ATOM 587 OH TYR A 36 -7.195 -8.693 -20.457 1.00 0.00 O ATOM 0 H TYR A 36 -2.728 -12.310 -23.060 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.477 -13.401 -20.748 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.605 -11.190 -19.909 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.601 -10.950 -21.645 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.892 -10.737 -22.842 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.419 -10.425 -18.584 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.074 -9.568 -22.685 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.604 -9.265 -18.426 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.382 -8.475 -19.520 1.00 0.00 H new ATOM 597 N GLY A 37 -4.757 -13.137 -20.575 1.00 0.00 N ATOM 598 CA GLY A 37 -5.925 -13.584 -19.766 1.00 0.00 C ATOM 599 C GLY A 37 -5.777 -15.064 -19.408 1.00 0.00 C ATOM 600 O GLY A 37 -6.338 -15.534 -18.437 1.00 0.00 O ATOM 0 H GLY A 37 -4.990 -12.662 -21.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.998 -12.987 -18.857 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.847 -13.427 -20.326 1.00 0.00 H new ATOM 604 N ASN A 38 -5.033 -15.807 -20.182 1.00 0.00 N ATOM 605 CA ASN A 38 -4.867 -17.255 -19.874 1.00 0.00 C ATOM 606 C ASN A 38 -3.384 -17.640 -19.928 1.00 0.00 C ATOM 607 O ASN A 38 -2.692 -17.355 -20.886 1.00 0.00 O ATOM 608 CB ASN A 38 -5.640 -18.089 -20.899 1.00 0.00 C ATOM 609 CG ASN A 38 -7.032 -17.488 -21.104 1.00 0.00 C ATOM 610 OD1 ASN A 38 -7.176 -16.290 -21.234 1.00 0.00 O ATOM 611 ND2 ASN A 38 -8.070 -18.279 -21.139 1.00 0.00 N ATOM 0 H ASN A 38 -4.536 -15.476 -21.009 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.252 -17.448 -18.873 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.100 -18.113 -21.845 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.725 -19.120 -20.555 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.003 -17.890 -21.276 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.948 -19.286 -21.030 1.00 0.00 H new ATOM 618 N PHE A 39 -2.896 -18.299 -18.910 1.00 0.00 N ATOM 619 CA PHE A 39 -1.462 -18.721 -18.903 1.00 0.00 C ATOM 620 C PHE A 39 -1.314 -20.031 -18.124 1.00 0.00 C ATOM 621 O PHE A 39 -1.782 -20.161 -17.010 1.00 0.00 O ATOM 622 CB PHE A 39 -0.582 -17.630 -18.275 1.00 0.00 C ATOM 623 CG PHE A 39 -1.423 -16.668 -17.467 1.00 0.00 C ATOM 624 CD1 PHE A 39 -2.346 -17.146 -16.528 1.00 0.00 C ATOM 625 CD2 PHE A 39 -1.277 -15.289 -17.663 1.00 0.00 C ATOM 626 CE1 PHE A 39 -3.122 -16.243 -15.789 1.00 0.00 C ATOM 627 CE2 PHE A 39 -2.051 -14.389 -16.926 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.973 -14.864 -15.989 1.00 0.00 C ATOM 0 H PHE A 39 -3.429 -18.564 -18.081 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.136 -18.875 -19.931 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.173 -18.087 -17.635 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.051 -17.088 -19.058 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.459 -18.209 -16.374 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.564 -14.920 -18.386 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.835 -16.610 -15.065 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.937 -13.326 -17.080 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.571 -14.168 -15.419 1.00 0.00 H new ATOM 638 N TYR A 40 -0.679 -21.008 -18.716 1.00 0.00 N ATOM 639 CA TYR A 40 -0.508 -22.327 -18.038 1.00 0.00 C ATOM 640 C TYR A 40 -0.017 -22.134 -16.599 1.00 0.00 C ATOM 641 O TYR A 40 0.822 -21.299 -16.324 1.00 0.00 O ATOM 642 CB TYR A 40 0.505 -23.171 -18.815 1.00 0.00 C ATOM 643 CG TYR A 40 -0.016 -23.449 -20.212 1.00 0.00 C ATOM 644 CD1 TYR A 40 -1.267 -22.956 -20.618 1.00 0.00 C ATOM 645 CD2 TYR A 40 0.753 -24.205 -21.104 1.00 0.00 C ATOM 646 CE1 TYR A 40 -1.742 -23.220 -21.907 1.00 0.00 C ATOM 647 CE2 TYR A 40 0.277 -24.469 -22.392 1.00 0.00 C ATOM 648 CZ TYR A 40 -0.970 -23.977 -22.795 1.00 0.00 C ATOM 649 OH TYR A 40 -1.438 -24.238 -24.066 1.00 0.00 O ATOM 0 H TYR A 40 -0.268 -20.948 -19.648 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.472 -22.836 -18.012 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.460 -22.648 -18.871 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.686 -24.110 -18.292 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.864 -22.372 -19.933 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.716 -24.585 -20.797 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.704 -22.840 -22.217 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.873 -25.054 -23.077 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.014 -23.502 -24.360 1.00 0.00 H new ATOM 659 N GLU A 41 -0.529 -22.912 -15.680 1.00 0.00 N ATOM 660 CA GLU A 41 -0.088 -22.786 -14.259 1.00 0.00 C ATOM 661 C GLU A 41 1.081 -23.730 -14.001 1.00 0.00 C ATOM 662 O GLU A 41 1.285 -24.198 -12.899 1.00 0.00 O ATOM 663 CB GLU A 41 -1.237 -23.124 -13.298 1.00 0.00 C ATOM 664 CG GLU A 41 -2.205 -24.113 -13.953 1.00 0.00 C ATOM 665 CD GLU A 41 -3.270 -24.536 -12.939 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.970 -24.525 -11.757 1.00 0.00 O ATOM 667 OE2 GLU A 41 -4.366 -24.863 -13.363 1.00 0.00 O ATOM 0 H GLU A 41 -1.234 -23.629 -15.853 1.00 0.00 H new ATOM 0 HA GLU A 41 0.221 -21.755 -14.084 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.837 -23.551 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.769 -22.213 -13.022 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.677 -23.654 -14.822 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.661 -24.987 -14.311 1.00 0.00 H new ATOM 674 N GLY A 42 1.857 -24.006 -15.007 1.00 0.00 N ATOM 675 CA GLY A 42 3.019 -24.911 -14.820 1.00 0.00 C ATOM 676 C GLY A 42 4.153 -24.453 -15.734 1.00 0.00 C ATOM 677 O GLY A 42 4.679 -25.221 -16.516 1.00 0.00 O ATOM 0 H GLY A 42 1.736 -23.643 -15.953 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.344 -24.897 -13.780 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.738 -25.938 -15.053 1.00 0.00 H new ATOM 681 N ASP A 43 4.541 -23.209 -15.633 1.00 0.00 N ATOM 682 CA ASP A 43 5.645 -22.696 -16.497 1.00 0.00 C ATOM 683 C ASP A 43 6.194 -21.383 -15.914 1.00 0.00 C ATOM 684 O ASP A 43 6.345 -21.236 -14.718 1.00 0.00 O ATOM 685 CB ASP A 43 5.118 -22.433 -17.919 1.00 0.00 C ATOM 686 CG ASP A 43 4.190 -23.563 -18.368 1.00 0.00 C ATOM 687 OD1 ASP A 43 3.063 -23.597 -17.902 1.00 0.00 O ATOM 688 OD2 ASP A 43 4.621 -24.375 -19.170 1.00 0.00 O ATOM 0 H ASP A 43 4.141 -22.526 -14.990 1.00 0.00 H new ATOM 0 HA ASP A 43 6.439 -23.442 -16.534 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.582 -21.484 -17.944 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.955 -22.345 -18.612 1.00 0.00 H new ATOM 693 N CYS A 44 6.488 -20.427 -16.763 1.00 0.00 N ATOM 694 CA CYS A 44 7.021 -19.116 -16.294 1.00 0.00 C ATOM 695 C CYS A 44 6.521 -18.028 -17.241 1.00 0.00 C ATOM 696 O CYS A 44 6.141 -18.297 -18.357 1.00 0.00 O ATOM 697 CB CYS A 44 8.550 -19.156 -16.325 1.00 0.00 C ATOM 698 SG CYS A 44 9.160 -20.127 -14.924 1.00 0.00 S ATOM 0 H CYS A 44 6.378 -20.504 -17.774 1.00 0.00 H new ATOM 0 HA CYS A 44 6.686 -18.911 -15.277 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.894 -19.595 -17.262 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.951 -18.144 -16.281 1.00 0.00 H new ATOM 0 HG CYS A 44 8.178 -20.801 -14.403 1.00 0.00 H new ATOM 704 N TYR A 45 6.506 -16.804 -16.804 1.00 0.00 N ATOM 705 CA TYR A 45 6.019 -15.707 -17.683 1.00 0.00 C ATOM 706 C TYR A 45 6.757 -14.416 -17.323 1.00 0.00 C ATOM 707 O TYR A 45 7.435 -14.337 -16.320 1.00 0.00 O ATOM 708 CB TYR A 45 4.518 -15.500 -17.452 1.00 0.00 C ATOM 709 CG TYR A 45 3.724 -16.559 -18.184 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.699 -17.876 -17.706 1.00 0.00 C ATOM 711 CD2 TYR A 45 3.004 -16.222 -19.336 1.00 0.00 C ATOM 712 CE1 TYR A 45 2.955 -18.852 -18.378 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.261 -17.200 -20.010 1.00 0.00 C ATOM 714 CZ TYR A 45 2.236 -18.514 -19.530 1.00 0.00 C ATOM 715 OH TYR A 45 1.502 -19.477 -20.193 1.00 0.00 O ATOM 0 H TYR A 45 6.810 -16.514 -15.875 1.00 0.00 H new ATOM 0 HA TYR A 45 6.200 -15.965 -18.726 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.298 -15.543 -16.385 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.223 -14.510 -17.799 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.255 -18.138 -16.818 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.021 -15.207 -19.706 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.936 -19.866 -18.008 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.708 -16.940 -20.900 1.00 0.00 H new ATOM 0 HH TYR A 45 1.063 -19.075 -20.971 1.00 0.00 H new ATOM 725 N VAL A 46 6.614 -13.403 -18.123 1.00 0.00 N ATOM 726 CA VAL A 46 7.281 -12.104 -17.819 1.00 0.00 C ATOM 727 C VAL A 46 6.242 -11.001 -17.984 1.00 0.00 C ATOM 728 O VAL A 46 5.764 -10.762 -19.065 1.00 0.00 O ATOM 729 CB VAL A 46 8.440 -11.870 -18.789 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.175 -10.585 -18.407 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.410 -13.052 -18.719 1.00 0.00 C ATOM 0 H VAL A 46 6.062 -13.415 -18.980 1.00 0.00 H new ATOM 0 HA VAL A 46 7.679 -12.110 -16.804 1.00 0.00 H new ATOM 0 HB VAL A 46 8.051 -11.778 -19.803 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.001 -10.419 -19.099 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.485 -9.743 -18.457 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.564 -10.676 -17.393 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.236 -12.886 -19.410 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.798 -13.144 -17.705 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.887 -13.968 -18.992 1.00 0.00 H new ATOM 741 N LEU A 47 5.860 -10.345 -16.924 1.00 0.00 N ATOM 742 CA LEU A 47 4.815 -9.287 -17.055 1.00 0.00 C ATOM 743 C LEU A 47 5.440 -7.889 -17.002 1.00 0.00 C ATOM 744 O LEU A 47 5.830 -7.412 -15.957 1.00 0.00 O ATOM 745 CB LEU A 47 3.804 -9.440 -15.919 1.00 0.00 C ATOM 746 CG LEU A 47 2.742 -8.351 -16.033 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.354 -8.965 -15.849 1.00 0.00 C ATOM 748 CD2 LEU A 47 2.980 -7.297 -14.951 1.00 0.00 C ATOM 0 H LEU A 47 6.221 -10.492 -15.981 1.00 0.00 H new ATOM 0 HA LEU A 47 4.318 -9.402 -18.018 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.337 -10.424 -15.963 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.310 -9.370 -14.956 1.00 0.00 H new ATOM 0 HG LEU A 47 2.803 -7.886 -17.017 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.597 -8.185 -15.931 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.184 -9.718 -16.619 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.290 -9.431 -14.866 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.223 -6.517 -15.030 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.919 -7.764 -13.968 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.969 -6.857 -15.083 1.00 0.00 H new ATOM 760 N LEU A 48 5.513 -7.222 -18.122 1.00 0.00 N ATOM 761 CA LEU A 48 6.089 -5.848 -18.142 1.00 0.00 C ATOM 762 C LEU A 48 4.947 -4.838 -18.013 1.00 0.00 C ATOM 763 O LEU A 48 4.004 -4.853 -18.778 1.00 0.00 O ATOM 764 CB LEU A 48 6.838 -5.623 -19.463 1.00 0.00 C ATOM 765 CG LEU A 48 7.098 -4.128 -19.665 1.00 0.00 C ATOM 766 CD1 LEU A 48 8.134 -3.644 -18.648 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.626 -3.892 -21.081 1.00 0.00 C ATOM 0 H LEU A 48 5.197 -7.571 -19.027 1.00 0.00 H new ATOM 0 HA LEU A 48 6.788 -5.723 -17.315 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.782 -6.167 -19.453 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.253 -6.015 -20.295 1.00 0.00 H new ATOM 0 HG LEU A 48 6.169 -3.576 -19.524 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.317 -2.579 -18.794 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.759 -3.813 -17.638 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.064 -4.195 -18.786 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.812 -2.828 -21.227 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.555 -4.445 -21.220 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.888 -4.234 -21.806 1.00 0.00 H new ATOM 779 N SER A 49 5.017 -3.965 -17.048 1.00 0.00 N ATOM 780 CA SER A 49 3.928 -2.965 -16.869 1.00 0.00 C ATOM 781 C SER A 49 4.469 -1.565 -17.115 1.00 0.00 C ATOM 782 O SER A 49 5.541 -1.208 -16.669 1.00 0.00 O ATOM 783 CB SER A 49 3.382 -3.057 -15.445 1.00 0.00 C ATOM 784 OG SER A 49 2.150 -2.352 -15.367 1.00 0.00 O ATOM 0 H SER A 49 5.781 -3.900 -16.375 1.00 0.00 H new ATOM 0 HA SER A 49 3.129 -3.172 -17.581 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.235 -4.101 -15.166 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.100 -2.637 -14.740 1.00 0.00 H new ATOM 0 HG SER A 49 1.797 -2.411 -14.455 1.00 0.00 H new ATOM 790 N THR A 50 3.731 -0.774 -17.831 1.00 0.00 N ATOM 791 CA THR A 50 4.189 0.605 -18.126 1.00 0.00 C ATOM 792 C THR A 50 3.058 1.591 -17.806 1.00 0.00 C ATOM 793 O THR A 50 1.960 1.475 -18.313 1.00 0.00 O ATOM 794 CB THR A 50 4.562 0.673 -19.610 1.00 0.00 C ATOM 795 OG1 THR A 50 5.912 0.257 -19.771 1.00 0.00 O ATOM 796 CG2 THR A 50 4.402 2.101 -20.142 1.00 0.00 C ATOM 0 H THR A 50 2.825 -1.024 -18.227 1.00 0.00 H new ATOM 0 HA THR A 50 5.056 0.867 -17.520 1.00 0.00 H new ATOM 0 HB THR A 50 3.898 0.016 -20.171 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.475 1.038 -19.956 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.672 2.128 -21.198 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.366 2.419 -20.024 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.054 2.773 -19.583 1.00 0.00 H new ATOM 804 N ARG A 51 3.319 2.557 -16.970 1.00 0.00 N ATOM 805 CA ARG A 51 2.258 3.545 -16.622 1.00 0.00 C ATOM 806 C ARG A 51 2.791 4.964 -16.834 1.00 0.00 C ATOM 807 O ARG A 51 3.914 5.273 -16.487 1.00 0.00 O ATOM 808 CB ARG A 51 1.855 3.366 -15.156 1.00 0.00 C ATOM 809 CG ARG A 51 3.108 3.340 -14.280 1.00 0.00 C ATOM 810 CD ARG A 51 2.768 3.873 -12.887 1.00 0.00 C ATOM 811 NE ARG A 51 2.845 2.763 -11.897 1.00 0.00 N ATOM 812 CZ ARG A 51 2.104 2.791 -10.824 1.00 0.00 C ATOM 813 NH1 ARG A 51 0.817 2.989 -10.924 1.00 0.00 N ATOM 814 NH2 ARG A 51 2.649 2.623 -9.649 1.00 0.00 N ATOM 0 H ARG A 51 4.219 2.706 -16.513 1.00 0.00 H new ATOM 0 HA ARG A 51 1.389 3.384 -17.261 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.199 4.180 -14.846 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.294 2.440 -15.033 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.493 2.323 -14.208 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.893 3.947 -14.732 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.460 4.669 -12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.768 4.306 -12.886 1.00 0.00 H new ATOM 0 HE ARG A 51 3.478 1.980 -12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.391 3.122 -11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.238 3.011 -10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.654 2.470 -9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.069 2.645 -8.810 1.00 0.00 H new ATOM 828 N LYS A 52 1.996 5.828 -17.401 1.00 0.00 N ATOM 829 CA LYS A 52 2.458 7.225 -17.635 1.00 0.00 C ATOM 830 C LYS A 52 2.935 7.832 -16.313 1.00 0.00 C ATOM 831 O LYS A 52 2.645 7.328 -15.247 1.00 0.00 O ATOM 832 CB LYS A 52 1.301 8.060 -18.190 1.00 0.00 C ATOM 833 CG LYS A 52 0.263 8.290 -17.091 1.00 0.00 C ATOM 834 CD LYS A 52 -1.042 8.786 -17.716 1.00 0.00 C ATOM 835 CE LYS A 52 -2.227 8.066 -17.068 1.00 0.00 C ATOM 836 NZ LYS A 52 -3.050 9.050 -16.309 1.00 0.00 N ATOM 0 H LYS A 52 1.046 5.627 -17.713 1.00 0.00 H new ATOM 0 HA LYS A 52 3.279 7.220 -18.352 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.673 9.016 -18.559 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.843 7.548 -19.036 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.087 7.364 -16.543 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.635 9.020 -16.372 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.137 9.863 -17.577 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.035 8.603 -18.790 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.834 7.581 -17.832 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.869 7.282 -16.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.856 8.562 -15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.467 9.493 -15.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.402 9.782 -16.958 1.00 0.00 H new ATOM 850 N THR A 53 3.664 8.913 -16.375 1.00 0.00 N ATOM 851 CA THR A 53 4.159 9.550 -15.122 1.00 0.00 C ATOM 852 C THR A 53 4.660 10.962 -15.432 1.00 0.00 C ATOM 853 O THR A 53 4.507 11.458 -16.531 1.00 0.00 O ATOM 854 CB THR A 53 5.305 8.717 -14.544 1.00 0.00 C ATOM 855 OG1 THR A 53 5.869 7.914 -15.571 1.00 0.00 O ATOM 856 CG2 THR A 53 4.774 7.819 -13.425 1.00 0.00 C ATOM 0 H THR A 53 3.938 9.382 -17.238 1.00 0.00 H new ATOM 0 HA THR A 53 3.348 9.603 -14.396 1.00 0.00 H new ATOM 0 HB THR A 53 6.069 9.381 -14.140 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.604 7.381 -15.203 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.592 7.227 -13.015 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.342 8.436 -12.637 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.009 7.153 -13.825 1.00 0.00 H new ATOM 864 N GLY A 54 5.261 11.613 -14.473 1.00 0.00 N ATOM 865 CA GLY A 54 5.772 12.991 -14.715 1.00 0.00 C ATOM 866 C GLY A 54 7.132 12.915 -15.412 1.00 0.00 C ATOM 867 O GLY A 54 7.507 13.796 -16.161 1.00 0.00 O ATOM 0 H GLY A 54 5.420 11.250 -13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.067 13.549 -15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.865 13.527 -13.771 1.00 0.00 H new ATOM 871 N SER A 55 7.873 11.868 -15.172 1.00 0.00 N ATOM 872 CA SER A 55 9.208 11.736 -15.821 1.00 0.00 C ATOM 873 C SER A 55 9.034 11.171 -17.232 1.00 0.00 C ATOM 874 O SER A 55 9.915 11.267 -18.064 1.00 0.00 O ATOM 875 CB SER A 55 10.082 10.788 -14.999 1.00 0.00 C ATOM 876 OG SER A 55 11.094 11.536 -14.338 1.00 0.00 O ATOM 0 H SER A 55 7.612 11.099 -14.555 1.00 0.00 H new ATOM 0 HA SER A 55 9.684 12.715 -15.876 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.473 10.254 -14.269 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.534 10.037 -15.647 1.00 0.00 H new ATOM 0 HG SER A 55 11.655 10.931 -13.809 1.00 0.00 H new ATOM 882 N GLY A 56 7.904 10.582 -17.510 1.00 0.00 N ATOM 883 CA GLY A 56 7.674 10.012 -18.868 1.00 0.00 C ATOM 884 C GLY A 56 6.902 8.697 -18.745 1.00 0.00 C ATOM 885 O GLY A 56 5.751 8.605 -19.125 1.00 0.00 O ATOM 0 H GLY A 56 7.130 10.471 -16.856 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.114 10.719 -19.481 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.627 9.841 -19.369 1.00 0.00 H new ATOM 889 N PHE A 57 7.524 7.679 -18.216 1.00 0.00 N ATOM 890 CA PHE A 57 6.823 6.372 -18.070 1.00 0.00 C ATOM 891 C PHE A 57 7.538 5.523 -17.017 1.00 0.00 C ATOM 892 O PHE A 57 8.705 5.714 -16.738 1.00 0.00 O ATOM 893 CB PHE A 57 6.834 5.634 -19.410 1.00 0.00 C ATOM 894 CG PHE A 57 5.638 6.057 -20.227 1.00 0.00 C ATOM 895 CD1 PHE A 57 4.357 5.615 -19.873 1.00 0.00 C ATOM 896 CD2 PHE A 57 5.809 6.890 -21.339 1.00 0.00 C ATOM 897 CE1 PHE A 57 3.248 6.006 -20.631 1.00 0.00 C ATOM 898 CE2 PHE A 57 4.699 7.281 -22.097 1.00 0.00 C ATOM 899 CZ PHE A 57 3.418 6.839 -21.744 1.00 0.00 C ATOM 0 H PHE A 57 8.487 7.696 -17.879 1.00 0.00 H new ATOM 0 HA PHE A 57 5.793 6.547 -17.759 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.754 5.855 -19.951 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.812 4.557 -19.244 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.225 4.972 -19.015 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.797 7.231 -21.612 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.260 5.665 -20.358 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.831 7.924 -22.955 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.562 7.140 -22.329 1.00 0.00 H new ATOM 909 N SER A 58 6.845 4.584 -16.435 1.00 0.00 N ATOM 910 CA SER A 58 7.480 3.716 -15.404 1.00 0.00 C ATOM 911 C SER A 58 7.291 2.250 -15.798 1.00 0.00 C ATOM 912 O SER A 58 6.189 1.737 -15.799 1.00 0.00 O ATOM 913 CB SER A 58 6.822 3.969 -14.047 1.00 0.00 C ATOM 914 OG SER A 58 7.810 4.398 -13.118 1.00 0.00 O ATOM 0 H SER A 58 5.865 4.380 -16.629 1.00 0.00 H new ATOM 0 HA SER A 58 8.544 3.944 -15.337 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.044 4.726 -14.143 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.340 3.060 -13.689 1.00 0.00 H new ATOM 0 HG SER A 58 7.391 4.563 -12.248 1.00 0.00 H new ATOM 920 N TYR A 59 8.353 1.573 -16.139 1.00 0.00 N ATOM 921 CA TYR A 59 8.223 0.145 -16.540 1.00 0.00 C ATOM 922 C TYR A 59 8.409 -0.758 -15.320 1.00 0.00 C ATOM 923 O TYR A 59 9.061 -0.401 -14.359 1.00 0.00 O ATOM 924 CB TYR A 59 9.280 -0.192 -17.593 1.00 0.00 C ATOM 925 CG TYR A 59 9.268 0.860 -18.674 1.00 0.00 C ATOM 926 CD1 TYR A 59 8.080 1.532 -18.985 1.00 0.00 C ATOM 927 CD2 TYR A 59 10.446 1.165 -19.368 1.00 0.00 C ATOM 928 CE1 TYR A 59 8.069 2.507 -19.989 1.00 0.00 C ATOM 929 CE2 TYR A 59 10.434 2.141 -20.371 1.00 0.00 C ATOM 930 CZ TYR A 59 9.246 2.812 -20.682 1.00 0.00 C ATOM 931 OH TYR A 59 9.235 3.773 -21.671 1.00 0.00 O ATOM 0 H TYR A 59 9.302 1.946 -16.157 1.00 0.00 H new ATOM 0 HA TYR A 59 7.230 -0.019 -16.958 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.266 -0.242 -17.131 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.080 -1.173 -18.024 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.172 1.298 -18.450 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.363 0.647 -19.129 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.152 3.024 -20.229 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.342 2.377 -20.905 1.00 0.00 H new ATOM 0 HH TYR A 59 10.134 3.862 -22.050 1.00 0.00 H new ATOM 941 N ASN A 60 7.836 -1.929 -15.357 1.00 0.00 N ATOM 942 CA ASN A 60 7.966 -2.871 -14.210 1.00 0.00 C ATOM 943 C ASN A 60 7.959 -4.303 -14.744 1.00 0.00 C ATOM 944 O ASN A 60 6.921 -4.882 -14.977 1.00 0.00 O ATOM 945 CB ASN A 60 6.785 -2.672 -13.258 1.00 0.00 C ATOM 946 CG ASN A 60 7.226 -1.812 -12.073 1.00 0.00 C ATOM 947 OD1 ASN A 60 6.715 -2.038 -10.893 1.00 0.00 O flip ATOM 948 ND2 ASN A 60 8.045 -0.926 -12.220 1.00 0.00 N flip ATOM 0 H ASN A 60 7.279 -2.276 -16.138 1.00 0.00 H new ATOM 0 HA ASN A 60 8.897 -2.683 -13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.958 -2.192 -13.782 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.421 -3.637 -12.905 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.445 -0.749 -13.142 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.333 -0.360 -11.422 1.00 0.00 H new ATOM 955 N ILE A 61 9.112 -4.872 -14.959 1.00 0.00 N ATOM 956 CA ILE A 61 9.170 -6.261 -15.499 1.00 0.00 C ATOM 957 C ILE A 61 9.019 -7.281 -14.371 1.00 0.00 C ATOM 958 O ILE A 61 9.695 -7.219 -13.363 1.00 0.00 O ATOM 959 CB ILE A 61 10.511 -6.479 -16.197 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.758 -5.343 -17.193 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.485 -7.813 -16.941 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.262 -5.182 -17.422 1.00 0.00 C ATOM 0 H ILE A 61 10.018 -4.436 -14.784 1.00 0.00 H new ATOM 0 HA ILE A 61 8.353 -6.395 -16.209 1.00 0.00 H new ATOM 0 HB ILE A 61 11.310 -6.492 -15.456 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.257 -5.557 -18.137 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.336 -4.413 -16.812 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.441 -7.970 -17.440 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.308 -8.622 -16.232 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.687 -7.800 -17.683 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.438 -4.373 -18.131 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.751 -4.948 -16.476 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.671 -6.110 -17.822 1.00 0.00 H new ATOM 974 N HIS A 62 8.140 -8.228 -14.549 1.00 0.00 N ATOM 975 CA HIS A 62 7.927 -9.275 -13.510 1.00 0.00 C ATOM 976 C HIS A 62 8.333 -10.626 -14.071 1.00 0.00 C ATOM 977 O HIS A 62 8.429 -10.806 -15.269 1.00 0.00 O ATOM 978 CB HIS A 62 6.444 -9.373 -13.174 1.00 0.00 C ATOM 979 CG HIS A 62 5.959 -8.090 -12.564 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.844 -6.826 -13.079 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 5.497 -8.012 -11.259 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 5.319 -5.971 -12.114 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 5.128 -6.736 -11.037 1.00 0.00 N flip ATOM 0 H HIS A 62 7.554 -8.322 -15.379 1.00 0.00 H new ATOM 0 HA HIS A 62 8.513 -9.013 -12.629 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.874 -9.592 -14.077 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.275 -10.198 -12.482 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.104 -6.552 -14.027 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.443 -8.825 -10.551 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.111 -4.916 -12.215 1.00 0.00 H new ATOM 991 N TYR A 63 8.516 -11.599 -13.228 1.00 0.00 N ATOM 992 CA TYR A 63 8.849 -12.941 -13.756 1.00 0.00 C ATOM 993 C TYR A 63 8.065 -14.009 -12.989 1.00 0.00 C ATOM 994 O TYR A 63 8.438 -14.442 -11.918 1.00 0.00 O ATOM 995 CB TYR A 63 10.366 -13.201 -13.707 1.00 0.00 C ATOM 996 CG TYR A 63 10.866 -13.328 -12.285 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.259 -12.188 -11.576 1.00 0.00 C ATOM 998 CD2 TYR A 63 10.964 -14.591 -11.687 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.750 -12.309 -10.270 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.450 -14.713 -10.380 1.00 0.00 C ATOM 1001 CZ TYR A 63 11.844 -13.571 -9.672 1.00 0.00 C ATOM 1002 OH TYR A 63 12.330 -13.692 -8.386 1.00 0.00 O ATOM 0 H TYR A 63 8.450 -11.524 -12.213 1.00 0.00 H new ATOM 0 HA TYR A 63 8.557 -12.988 -14.805 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.597 -14.113 -14.257 1.00 0.00 H new ATOM 0 HB3 TYR A 63 10.891 -12.387 -14.206 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.184 -11.214 -12.036 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.664 -15.472 -12.235 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.056 -11.429 -9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.521 -15.687 -9.918 1.00 0.00 H new ATOM 0 HH TYR A 63 13.003 -14.404 -8.356 1.00 0.00 H new ATOM 1012 N TRP A 64 6.959 -14.419 -13.552 1.00 0.00 N ATOM 1013 CA TRP A 64 6.094 -15.450 -12.911 1.00 0.00 C ATOM 1014 C TRP A 64 6.771 -16.809 -13.013 1.00 0.00 C ATOM 1015 O TRP A 64 7.399 -17.123 -14.000 1.00 0.00 O ATOM 1016 CB TRP A 64 4.760 -15.476 -13.654 1.00 0.00 C ATOM 1017 CG TRP A 64 3.714 -16.172 -12.849 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.377 -15.887 -11.570 1.00 0.00 C ATOM 1019 CD2 TRP A 64 2.842 -17.253 -13.269 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.353 -16.732 -11.184 1.00 0.00 N ATOM 1021 CE2 TRP A 64 1.987 -17.589 -12.196 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.715 -17.967 -14.468 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.032 -18.596 -12.313 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 1.755 -18.983 -14.592 1.00 0.00 C ATOM 1025 CH2 TRP A 64 0.914 -19.294 -13.515 1.00 0.00 C ATOM 0 H TRP A 64 6.613 -14.075 -14.448 1.00 0.00 H new ATOM 0 HA TRP A 64 5.932 -15.216 -11.859 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.440 -14.457 -13.870 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.883 -15.981 -14.612 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.832 -15.126 -10.953 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.921 -16.721 -10.260 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.360 -17.734 -15.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.388 -18.835 -11.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.664 -19.527 -15.521 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.174 -20.074 -13.616 1.00 0.00 H new ATOM 1036 N LEU A 65 6.675 -17.613 -11.994 1.00 0.00 N ATOM 1037 CA LEU A 65 7.349 -18.937 -12.045 1.00 0.00 C ATOM 1038 C LEU A 65 6.355 -20.066 -11.762 1.00 0.00 C ATOM 1039 O LEU A 65 6.481 -20.765 -10.781 1.00 0.00 O ATOM 1040 CB LEU A 65 8.453 -18.981 -10.976 1.00 0.00 C ATOM 1041 CG LEU A 65 9.783 -18.360 -11.459 1.00 0.00 C ATOM 1042 CD1 LEU A 65 10.778 -19.478 -11.769 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.602 -17.496 -12.712 1.00 0.00 C ATOM 0 H LEU A 65 6.163 -17.413 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 65 7.768 -19.073 -13.042 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.112 -18.451 -10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.627 -20.016 -10.683 1.00 0.00 H new ATOM 0 HG LEU A 65 10.153 -17.717 -10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.718 -19.044 -12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.956 -20.067 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.371 -20.121 -12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.565 -17.083 -13.011 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.202 -18.108 -13.521 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.909 -16.683 -12.496 1.00 0.00 H new ATOM 1055 N GLY A 66 5.388 -20.267 -12.619 1.00 0.00 N ATOM 1056 CA GLY A 66 4.412 -21.382 -12.396 1.00 0.00 C ATOM 1057 C GLY A 66 5.200 -22.664 -12.103 1.00 0.00 C ATOM 1058 O GLY A 66 5.578 -23.387 -13.006 1.00 0.00 O ATOM 0 H GLY A 66 5.230 -19.712 -13.460 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.750 -21.145 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.782 -21.517 -13.276 1.00 0.00 H new ATOM 1062 N LYS A 67 5.468 -22.904 -10.839 1.00 0.00 N ATOM 1063 CA LYS A 67 6.270 -24.083 -10.389 1.00 0.00 C ATOM 1064 C LYS A 67 5.955 -25.345 -11.182 1.00 0.00 C ATOM 1065 O LYS A 67 5.092 -26.125 -10.832 1.00 0.00 O ATOM 1066 CB LYS A 67 5.990 -24.343 -8.908 1.00 0.00 C ATOM 1067 CG LYS A 67 7.158 -25.117 -8.296 1.00 0.00 C ATOM 1068 CD LYS A 67 8.414 -24.244 -8.310 1.00 0.00 C ATOM 1069 CE LYS A 67 9.452 -24.855 -9.253 1.00 0.00 C ATOM 1070 NZ LYS A 67 10.659 -23.981 -9.296 1.00 0.00 N ATOM 0 H LYS A 67 5.150 -22.307 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 67 7.321 -23.845 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.851 -23.398 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.066 -24.910 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.918 -25.410 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.334 -26.034 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.164 -23.234 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.825 -24.164 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.725 -25.854 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.032 -24.963 -10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.365 -24.396 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.392 -23.037 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.063 -23.900 -8.341 1.00 0.00 H new ATOM 1084 N ASN A 68 6.688 -25.560 -12.228 1.00 0.00 N ATOM 1085 CA ASN A 68 6.496 -26.785 -13.050 1.00 0.00 C ATOM 1086 C ASN A 68 7.731 -26.996 -13.923 1.00 0.00 C ATOM 1087 O ASN A 68 8.221 -28.097 -14.074 1.00 0.00 O ATOM 1088 CB ASN A 68 5.267 -26.617 -13.925 1.00 0.00 C ATOM 1089 CG ASN A 68 4.086 -27.364 -13.302 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.107 -26.761 -12.911 1.00 0.00 O ATOM 1091 ND2 ASN A 68 4.137 -28.663 -13.192 1.00 0.00 N ATOM 0 H ASN A 68 7.423 -24.934 -12.556 1.00 0.00 H new ATOM 0 HA ASN A 68 6.357 -27.651 -12.402 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.026 -25.559 -14.031 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.466 -27.001 -14.926 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.355 -29.171 -12.778 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.959 -29.171 -13.520 1.00 0.00 H new ATOM 1098 N SER A 69 8.237 -25.939 -14.495 1.00 0.00 N ATOM 1099 CA SER A 69 9.444 -26.064 -15.361 1.00 0.00 C ATOM 1100 C SER A 69 10.628 -26.538 -14.515 1.00 0.00 C ATOM 1101 O SER A 69 10.461 -27.224 -13.526 1.00 0.00 O ATOM 1102 CB SER A 69 9.764 -24.703 -15.979 1.00 0.00 C ATOM 1103 OG SER A 69 10.123 -23.794 -14.947 1.00 0.00 O ATOM 0 H SER A 69 7.867 -24.993 -14.400 1.00 0.00 H new ATOM 0 HA SER A 69 9.255 -26.787 -16.155 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.580 -24.798 -16.696 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.900 -24.327 -16.527 1.00 0.00 H new ATOM 0 HG SER A 69 9.706 -22.924 -15.118 1.00 0.00 H new ATOM 1109 N SER A 70 11.824 -26.179 -14.895 1.00 0.00 N ATOM 1110 CA SER A 70 13.015 -26.610 -14.110 1.00 0.00 C ATOM 1111 C SER A 70 13.785 -25.379 -13.627 1.00 0.00 C ATOM 1112 O SER A 70 13.442 -24.257 -13.944 1.00 0.00 O ATOM 1113 CB SER A 70 13.923 -27.466 -14.994 1.00 0.00 C ATOM 1114 OG SER A 70 14.342 -26.699 -16.116 1.00 0.00 O ATOM 0 H SER A 70 12.027 -25.606 -15.714 1.00 0.00 H new ATOM 0 HA SER A 70 12.690 -27.193 -13.248 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.789 -27.804 -14.426 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.391 -28.358 -15.326 1.00 0.00 H new ATOM 0 HG SER A 70 15.064 -27.170 -16.583 1.00 0.00 H new ATOM 1120 N GLN A 71 14.823 -25.580 -12.863 1.00 0.00 N ATOM 1121 CA GLN A 71 15.613 -24.421 -12.360 1.00 0.00 C ATOM 1122 C GLN A 71 16.072 -23.564 -13.540 1.00 0.00 C ATOM 1123 O GLN A 71 16.043 -22.350 -13.486 1.00 0.00 O ATOM 1124 CB GLN A 71 16.837 -24.934 -11.595 1.00 0.00 C ATOM 1125 CG GLN A 71 17.482 -23.778 -10.828 1.00 0.00 C ATOM 1126 CD GLN A 71 18.988 -24.021 -10.710 1.00 0.00 C ATOM 1127 OE1 GLN A 71 19.501 -24.992 -11.228 1.00 0.00 O ATOM 1128 NE2 GLN A 71 19.724 -23.173 -10.044 1.00 0.00 N ATOM 0 H GLN A 71 15.158 -26.496 -12.565 1.00 0.00 H new ATOM 0 HA GLN A 71 14.993 -23.819 -11.695 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.542 -25.723 -10.904 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.556 -25.370 -12.289 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.294 -22.836 -11.343 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.038 -23.693 -9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.294 -22.357 -9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.729 -23.327 -9.959 1.00 0.00 H new ATOM 1137 N ASP A 72 16.499 -24.183 -14.608 1.00 0.00 N ATOM 1138 CA ASP A 72 16.961 -23.399 -15.787 1.00 0.00 C ATOM 1139 C ASP A 72 15.816 -22.531 -16.304 1.00 0.00 C ATOM 1140 O ASP A 72 16.002 -21.374 -16.623 1.00 0.00 O ATOM 1141 CB ASP A 72 17.424 -24.352 -16.890 1.00 0.00 C ATOM 1142 CG ASP A 72 16.397 -25.473 -17.062 1.00 0.00 C ATOM 1143 OD1 ASP A 72 15.352 -25.209 -17.633 1.00 0.00 O ATOM 1144 OD2 ASP A 72 16.674 -26.576 -16.621 1.00 0.00 O ATOM 0 H ASP A 72 16.547 -25.196 -14.714 1.00 0.00 H new ATOM 0 HA ASP A 72 17.794 -22.760 -15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.545 -23.809 -17.827 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.397 -24.772 -16.637 1.00 0.00 H new ATOM 1149 N GLU A 73 14.631 -23.068 -16.385 1.00 0.00 N ATOM 1150 CA GLU A 73 13.492 -22.246 -16.872 1.00 0.00 C ATOM 1151 C GLU A 73 13.382 -21.008 -15.990 1.00 0.00 C ATOM 1152 O GLU A 73 13.087 -19.925 -16.454 1.00 0.00 O ATOM 1153 CB GLU A 73 12.195 -23.054 -16.799 1.00 0.00 C ATOM 1154 CG GLU A 73 11.402 -22.858 -18.092 1.00 0.00 C ATOM 1155 CD GLU A 73 12.297 -23.181 -19.289 1.00 0.00 C ATOM 1156 OE1 GLU A 73 13.073 -24.118 -19.189 1.00 0.00 O ATOM 1157 OE2 GLU A 73 12.198 -22.482 -20.284 1.00 0.00 O ATOM 0 H GLU A 73 14.404 -24.031 -16.137 1.00 0.00 H new ATOM 0 HA GLU A 73 13.659 -21.954 -17.909 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.419 -24.111 -16.653 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.601 -22.733 -15.943 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.524 -23.504 -18.095 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.042 -21.831 -18.159 1.00 0.00 H new ATOM 1164 N GLN A 74 13.641 -21.155 -14.721 1.00 0.00 N ATOM 1165 CA GLN A 74 13.577 -19.980 -13.815 1.00 0.00 C ATOM 1166 C GLN A 74 14.636 -18.976 -14.269 1.00 0.00 C ATOM 1167 O GLN A 74 14.434 -17.779 -14.225 1.00 0.00 O ATOM 1168 CB GLN A 74 13.863 -20.420 -12.378 1.00 0.00 C ATOM 1169 CG GLN A 74 14.144 -19.191 -11.512 1.00 0.00 C ATOM 1170 CD GLN A 74 13.943 -19.550 -10.038 1.00 0.00 C ATOM 1171 OE1 GLN A 74 13.309 -18.821 -9.304 1.00 0.00 O ATOM 1172 NE2 GLN A 74 14.463 -20.654 -9.572 1.00 0.00 N ATOM 0 H GLN A 74 13.894 -22.037 -14.275 1.00 0.00 H new ATOM 0 HA GLN A 74 12.586 -19.527 -13.850 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.011 -20.971 -11.979 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.718 -21.096 -12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 74 15.163 -18.842 -11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.478 -18.375 -11.793 1.00 0.00 H new ATOM 0 HE21 GLN A 74 14.996 -21.267 -10.189 1.00 0.00 H new ATOM 0 HE22 GLN A 74 14.336 -20.903 -8.591 1.00 0.00 H new ATOM 1181 N GLY A 75 15.762 -19.462 -14.723 1.00 0.00 N ATOM 1182 CA GLY A 75 16.830 -18.541 -15.199 1.00 0.00 C ATOM 1183 C GLY A 75 16.494 -18.080 -16.618 1.00 0.00 C ATOM 1184 O GLY A 75 17.067 -17.139 -17.128 1.00 0.00 O ATOM 0 H GLY A 75 15.986 -20.455 -14.784 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.910 -17.682 -14.533 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.796 -19.046 -15.186 1.00 0.00 H new ATOM 1188 N ALA A 76 15.562 -18.734 -17.259 1.00 0.00 N ATOM 1189 CA ALA A 76 15.186 -18.329 -18.641 1.00 0.00 C ATOM 1190 C ALA A 76 14.272 -17.104 -18.574 1.00 0.00 C ATOM 1191 O ALA A 76 14.531 -16.088 -19.186 1.00 0.00 O ATOM 1192 CB ALA A 76 14.449 -19.479 -19.329 1.00 0.00 C ATOM 0 H ALA A 76 15.046 -19.530 -16.884 1.00 0.00 H new ATOM 0 HA ALA A 76 16.084 -18.086 -19.209 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.174 -19.181 -20.341 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.098 -20.353 -19.372 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.549 -19.723 -18.765 1.00 0.00 H new ATOM 1198 N ALA A 77 13.204 -17.191 -17.829 1.00 0.00 N ATOM 1199 CA ALA A 77 12.277 -16.030 -17.719 1.00 0.00 C ATOM 1200 C ALA A 77 12.930 -14.937 -16.871 1.00 0.00 C ATOM 1201 O ALA A 77 12.630 -13.767 -17.010 1.00 0.00 O ATOM 1202 CB ALA A 77 10.974 -16.478 -17.056 1.00 0.00 C ATOM 0 H ALA A 77 12.934 -18.015 -17.292 1.00 0.00 H new ATOM 0 HA ALA A 77 12.063 -15.640 -18.714 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.296 -15.628 -16.976 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.509 -17.258 -17.659 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.187 -16.867 -16.061 1.00 0.00 H new ATOM 1208 N ALA A 78 13.820 -15.308 -15.991 1.00 0.00 N ATOM 1209 CA ALA A 78 14.489 -14.290 -15.134 1.00 0.00 C ATOM 1210 C ALA A 78 15.549 -13.548 -15.952 1.00 0.00 C ATOM 1211 O ALA A 78 15.610 -12.334 -15.948 1.00 0.00 O ATOM 1212 CB ALA A 78 15.157 -14.983 -13.945 1.00 0.00 C ATOM 0 H ALA A 78 14.112 -16.272 -15.829 1.00 0.00 H new ATOM 0 HA ALA A 78 13.747 -13.579 -14.771 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.647 -14.238 -13.318 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.403 -15.510 -13.361 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.898 -15.695 -14.308 1.00 0.00 H new ATOM 1218 N ILE A 79 16.381 -14.265 -16.655 1.00 0.00 N ATOM 1219 CA ILE A 79 17.431 -13.593 -17.469 1.00 0.00 C ATOM 1220 C ILE A 79 16.757 -12.785 -18.584 1.00 0.00 C ATOM 1221 O ILE A 79 17.173 -11.688 -18.899 1.00 0.00 O ATOM 1222 CB ILE A 79 18.380 -14.649 -18.062 1.00 0.00 C ATOM 1223 CG1 ILE A 79 19.483 -14.965 -17.045 1.00 0.00 C ATOM 1224 CG2 ILE A 79 19.029 -14.120 -19.346 1.00 0.00 C ATOM 1225 CD1 ILE A 79 18.918 -15.835 -15.919 1.00 0.00 C ATOM 0 H ILE A 79 16.379 -15.284 -16.701 1.00 0.00 H new ATOM 0 HA ILE A 79 18.015 -12.918 -16.843 1.00 0.00 H new ATOM 0 HB ILE A 79 17.807 -15.548 -18.292 1.00 0.00 H new ATOM 0 HG12 ILE A 79 20.307 -15.482 -17.537 1.00 0.00 H new ATOM 0 HG13 ILE A 79 19.887 -14.040 -16.634 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.698 -14.878 -19.754 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.254 -13.888 -20.077 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.597 -13.217 -19.121 1.00 0.00 H new ATOM 0 HD11 ILE A 79 19.706 -16.056 -15.200 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.109 -15.302 -15.419 1.00 0.00 H new ATOM 0 HD13 ILE A 79 18.536 -16.767 -16.336 1.00 0.00 H new ATOM 1237 N TYR A 80 15.716 -13.307 -19.177 1.00 0.00 N ATOM 1238 CA TYR A 80 15.030 -12.545 -20.256 1.00 0.00 C ATOM 1239 C TYR A 80 14.498 -11.240 -19.660 1.00 0.00 C ATOM 1240 O TYR A 80 14.564 -10.190 -20.271 1.00 0.00 O ATOM 1241 CB TYR A 80 13.865 -13.369 -20.814 1.00 0.00 C ATOM 1242 CG TYR A 80 14.396 -14.414 -21.771 1.00 0.00 C ATOM 1243 CD1 TYR A 80 15.484 -15.216 -21.405 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.797 -14.581 -23.027 1.00 0.00 C ATOM 1245 CE1 TYR A 80 15.972 -16.183 -22.293 1.00 0.00 C ATOM 1246 CE2 TYR A 80 14.285 -15.547 -23.914 1.00 0.00 C ATOM 1247 CZ TYR A 80 15.374 -16.348 -23.546 1.00 0.00 C ATOM 1248 OH TYR A 80 15.855 -17.301 -24.421 1.00 0.00 O ATOM 0 H TYR A 80 15.315 -14.220 -18.962 1.00 0.00 H new ATOM 0 HA TYR A 80 15.728 -12.333 -21.066 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.323 -13.849 -19.999 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.158 -12.717 -21.327 1.00 0.00 H new ATOM 0 HD1 TYR A 80 15.947 -15.089 -20.438 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.958 -13.963 -23.311 1.00 0.00 H new ATOM 0 HE1 TYR A 80 16.811 -16.802 -22.010 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.823 -15.675 -24.882 1.00 0.00 H new ATOM 0 HH TYR A 80 15.326 -17.285 -25.246 1.00 0.00 H new ATOM 1258 N THR A 81 13.988 -11.300 -18.461 1.00 0.00 N ATOM 1259 CA THR A 81 13.465 -10.072 -17.802 1.00 0.00 C ATOM 1260 C THR A 81 14.638 -9.131 -17.514 1.00 0.00 C ATOM 1261 O THR A 81 14.476 -7.932 -17.402 1.00 0.00 O ATOM 1262 CB THR A 81 12.776 -10.462 -16.489 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.492 -11.001 -16.773 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.625 -9.235 -15.587 1.00 0.00 C ATOM 0 H THR A 81 13.911 -12.153 -17.907 1.00 0.00 H new ATOM 0 HA THR A 81 12.746 -9.571 -18.450 1.00 0.00 H new ATOM 0 HB THR A 81 13.384 -11.207 -15.975 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.566 -11.969 -16.909 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.134 -9.525 -14.658 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.610 -8.824 -15.365 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.023 -8.482 -16.095 1.00 0.00 H new ATOM 1272 N THR A 82 15.819 -9.673 -17.392 1.00 0.00 N ATOM 1273 CA THR A 82 17.010 -8.824 -17.112 1.00 0.00 C ATOM 1274 C THR A 82 17.439 -8.111 -18.397 1.00 0.00 C ATOM 1275 O THR A 82 17.863 -6.972 -18.374 1.00 0.00 O ATOM 1276 CB THR A 82 18.152 -9.714 -16.607 1.00 0.00 C ATOM 1277 OG1 THR A 82 17.898 -10.084 -15.258 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.479 -8.956 -16.686 1.00 0.00 C ATOM 0 H THR A 82 16.010 -10.672 -17.475 1.00 0.00 H new ATOM 0 HA THR A 82 16.765 -8.080 -16.354 1.00 0.00 H new ATOM 0 HB THR A 82 18.214 -10.607 -17.229 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.231 -10.802 -15.236 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.285 -9.595 -16.325 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.675 -8.673 -17.720 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.423 -8.059 -16.069 1.00 0.00 H new ATOM 1286 N GLN A 83 17.334 -8.772 -19.518 1.00 0.00 N ATOM 1287 CA GLN A 83 17.736 -8.132 -20.801 1.00 0.00 C ATOM 1288 C GLN A 83 16.785 -6.978 -21.118 1.00 0.00 C ATOM 1289 O GLN A 83 17.185 -5.955 -21.639 1.00 0.00 O ATOM 1290 CB GLN A 83 17.676 -9.168 -21.926 1.00 0.00 C ATOM 1291 CG GLN A 83 18.710 -10.266 -21.665 1.00 0.00 C ATOM 1292 CD GLN A 83 20.057 -9.627 -21.321 1.00 0.00 C ATOM 1293 OE1 GLN A 83 20.510 -9.709 -20.197 1.00 0.00 O ATOM 1294 NE2 GLN A 83 20.718 -8.990 -22.247 1.00 0.00 N ATOM 0 H GLN A 83 16.987 -9.728 -19.600 1.00 0.00 H new ATOM 0 HA GLN A 83 18.752 -7.748 -20.713 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.677 -9.601 -21.983 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.872 -8.690 -22.886 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.379 -10.905 -20.846 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.811 -10.902 -22.545 1.00 0.00 H new ATOM 0 HE21 GLN A 83 20.337 -8.922 -23.191 1.00 0.00 H new ATOM 0 HE22 GLN A 83 21.617 -8.560 -22.028 1.00 0.00 H new ATOM 1303 N MET A 84 15.526 -7.131 -20.808 1.00 0.00 N ATOM 1304 CA MET A 84 14.551 -6.040 -21.095 1.00 0.00 C ATOM 1305 C MET A 84 14.787 -4.874 -20.132 1.00 0.00 C ATOM 1306 O MET A 84 14.626 -3.723 -20.485 1.00 0.00 O ATOM 1307 CB MET A 84 13.128 -6.570 -20.914 1.00 0.00 C ATOM 1308 CG MET A 84 12.872 -7.700 -21.911 1.00 0.00 C ATOM 1309 SD MET A 84 11.102 -8.079 -21.951 1.00 0.00 S ATOM 1310 CE MET A 84 10.973 -8.740 -20.273 1.00 0.00 C ATOM 0 H MET A 84 15.131 -7.963 -20.369 1.00 0.00 H new ATOM 0 HA MET A 84 14.685 -5.695 -22.120 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.991 -6.932 -19.895 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.407 -5.766 -21.067 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.215 -7.408 -22.904 1.00 0.00 H new ATOM 0 HG3 MET A 84 13.438 -8.587 -21.626 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.923 -8.876 -20.015 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.487 -9.700 -20.219 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.431 -8.043 -19.571 1.00 0.00 H new ATOM 1320 N ASP A 85 15.165 -5.163 -18.917 1.00 0.00 N ATOM 1321 CA ASP A 85 15.406 -4.071 -17.931 1.00 0.00 C ATOM 1322 C ASP A 85 16.484 -3.124 -18.462 1.00 0.00 C ATOM 1323 O ASP A 85 16.260 -1.941 -18.622 1.00 0.00 O ATOM 1324 CB ASP A 85 15.869 -4.675 -16.604 1.00 0.00 C ATOM 1325 CG ASP A 85 15.734 -3.632 -15.493 1.00 0.00 C ATOM 1326 OD1 ASP A 85 14.632 -3.147 -15.294 1.00 0.00 O ATOM 1327 OD2 ASP A 85 16.734 -3.336 -14.861 1.00 0.00 O ATOM 0 H ASP A 85 15.317 -6.108 -18.564 1.00 0.00 H new ATOM 0 HA ASP A 85 14.481 -3.515 -17.777 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.272 -5.555 -16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.905 -5.004 -16.684 1.00 0.00 H new ATOM 1332 N GLU A 86 17.655 -3.633 -18.733 1.00 0.00 N ATOM 1333 CA GLU A 86 18.747 -2.760 -19.249 1.00 0.00 C ATOM 1334 C GLU A 86 18.364 -2.216 -20.626 1.00 0.00 C ATOM 1335 O GLU A 86 18.718 -1.111 -20.988 1.00 0.00 O ATOM 1336 CB GLU A 86 20.038 -3.573 -19.365 1.00 0.00 C ATOM 1337 CG GLU A 86 19.745 -4.900 -20.068 1.00 0.00 C ATOM 1338 CD GLU A 86 20.197 -6.060 -19.180 1.00 0.00 C ATOM 1339 OE1 GLU A 86 20.062 -5.943 -17.973 1.00 0.00 O ATOM 1340 OE2 GLU A 86 20.668 -7.046 -19.722 1.00 0.00 O ATOM 0 H GLU A 86 17.903 -4.616 -18.619 1.00 0.00 H new ATOM 0 HA GLU A 86 18.899 -1.928 -18.561 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.785 -3.010 -19.924 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.454 -3.758 -18.375 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.679 -4.984 -20.279 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.264 -4.938 -21.026 1.00 0.00 H new ATOM 1347 N TYR A 87 17.647 -2.982 -21.402 1.00 0.00 N ATOM 1348 CA TYR A 87 17.247 -2.505 -22.756 1.00 0.00 C ATOM 1349 C TYR A 87 16.156 -1.440 -22.626 1.00 0.00 C ATOM 1350 O TYR A 87 15.808 -0.775 -23.581 1.00 0.00 O ATOM 1351 CB TYR A 87 16.713 -3.682 -23.573 1.00 0.00 C ATOM 1352 CG TYR A 87 17.809 -4.212 -24.466 1.00 0.00 C ATOM 1353 CD1 TYR A 87 18.874 -4.933 -23.915 1.00 0.00 C ATOM 1354 CD2 TYR A 87 17.759 -3.982 -25.847 1.00 0.00 C ATOM 1355 CE1 TYR A 87 19.890 -5.425 -24.743 1.00 0.00 C ATOM 1356 CE2 TYR A 87 18.776 -4.473 -26.675 1.00 0.00 C ATOM 1357 CZ TYR A 87 19.840 -5.194 -26.123 1.00 0.00 C ATOM 1358 OH TYR A 87 20.843 -5.679 -26.940 1.00 0.00 O ATOM 0 H TYR A 87 17.321 -3.917 -21.157 1.00 0.00 H new ATOM 0 HA TYR A 87 18.114 -2.075 -23.258 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.358 -4.469 -22.908 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.861 -3.365 -24.174 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.912 -5.110 -22.850 1.00 0.00 H new ATOM 0 HD2 TYR A 87 16.937 -3.426 -26.273 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.712 -5.982 -24.318 1.00 0.00 H new ATOM 0 HE2 TYR A 87 18.739 -4.295 -27.740 1.00 0.00 H new ATOM 0 HH TYR A 87 20.656 -5.432 -27.870 1.00 0.00 H new ATOM 1368 N LEU A 88 15.612 -1.273 -21.452 1.00 0.00 N ATOM 1369 CA LEU A 88 14.543 -0.251 -21.266 1.00 0.00 C ATOM 1370 C LEU A 88 15.177 1.091 -20.893 1.00 0.00 C ATOM 1371 O LEU A 88 14.673 2.142 -21.237 1.00 0.00 O ATOM 1372 CB LEU A 88 13.597 -0.699 -20.150 1.00 0.00 C ATOM 1373 CG LEU A 88 12.602 -1.718 -20.706 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.987 -2.513 -19.554 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.495 -0.983 -21.467 1.00 0.00 C ATOM 0 H LEU A 88 15.861 -1.799 -20.614 1.00 0.00 H new ATOM 0 HA LEU A 88 13.982 -0.140 -22.194 1.00 0.00 H new ATOM 0 HB2 LEU A 88 14.166 -1.139 -19.331 1.00 0.00 H new ATOM 0 HB3 LEU A 88 13.065 0.161 -19.743 1.00 0.00 H new ATOM 0 HG LEU A 88 13.119 -2.400 -21.381 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.278 -3.239 -19.951 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.775 -3.035 -19.011 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.469 -1.833 -18.878 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.784 -1.707 -21.865 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.979 -0.302 -20.790 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.933 -0.416 -22.288 1.00 0.00 H new ATOM 1387 N GLY A 89 16.278 1.067 -20.194 1.00 0.00 N ATOM 1388 CA GLY A 89 16.940 2.345 -19.804 1.00 0.00 C ATOM 1389 C GLY A 89 17.061 2.418 -18.280 1.00 0.00 C ATOM 1390 O GLY A 89 17.307 3.468 -17.718 1.00 0.00 O ATOM 0 H GLY A 89 16.748 0.219 -19.876 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.928 2.408 -20.260 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.363 3.193 -20.174 1.00 0.00 H new ATOM 1394 N SER A 90 16.892 1.314 -17.607 1.00 0.00 N ATOM 1395 CA SER A 90 16.999 1.324 -16.120 1.00 0.00 C ATOM 1396 C SER A 90 15.735 1.943 -15.516 1.00 0.00 C ATOM 1397 O SER A 90 15.599 2.047 -14.314 1.00 0.00 O ATOM 1398 CB SER A 90 18.218 2.149 -15.704 1.00 0.00 C ATOM 1399 OG SER A 90 19.232 2.019 -16.693 1.00 0.00 O ATOM 0 H SER A 90 16.685 0.405 -18.021 1.00 0.00 H new ATOM 0 HA SER A 90 17.108 0.301 -15.759 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.940 3.196 -15.587 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.590 1.808 -14.738 1.00 0.00 H new ATOM 0 HG SER A 90 20.014 2.548 -16.431 1.00 0.00 H new ATOM 1405 N VAL A 91 14.808 2.352 -16.340 1.00 0.00 N ATOM 1406 CA VAL A 91 13.556 2.959 -15.808 1.00 0.00 C ATOM 1407 C VAL A 91 12.574 1.849 -15.429 1.00 0.00 C ATOM 1408 O VAL A 91 11.553 2.092 -14.815 1.00 0.00 O ATOM 1409 CB VAL A 91 12.926 3.853 -16.878 1.00 0.00 C ATOM 1410 CG1 VAL A 91 13.957 4.874 -17.362 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.471 2.990 -18.057 1.00 0.00 C ATOM 0 H VAL A 91 14.864 2.292 -17.357 1.00 0.00 H new ATOM 0 HA VAL A 91 13.788 3.557 -14.927 1.00 0.00 H new ATOM 0 HB VAL A 91 12.068 4.376 -16.456 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.508 5.511 -18.124 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.283 5.488 -16.522 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.815 4.352 -17.785 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.022 3.625 -18.821 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.330 2.468 -18.479 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.737 2.262 -17.713 1.00 0.00 H new ATOM 1421 N ALA A 92 12.875 0.632 -15.789 1.00 0.00 N ATOM 1422 CA ALA A 92 11.960 -0.493 -15.451 1.00 0.00 C ATOM 1423 C ALA A 92 12.358 -1.088 -14.099 1.00 0.00 C ATOM 1424 O ALA A 92 13.332 -0.685 -13.494 1.00 0.00 O ATOM 1425 CB ALA A 92 12.062 -1.573 -16.530 1.00 0.00 C ATOM 0 H ALA A 92 13.716 0.368 -16.303 1.00 0.00 H new ATOM 0 HA ALA A 92 10.936 -0.124 -15.398 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.393 -2.397 -16.284 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.779 -1.151 -17.495 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.087 -1.941 -16.581 1.00 0.00 H new ATOM 1431 N VAL A 93 11.613 -2.045 -13.624 1.00 0.00 N ATOM 1432 CA VAL A 93 11.943 -2.672 -12.314 1.00 0.00 C ATOM 1433 C VAL A 93 11.866 -4.192 -12.452 1.00 0.00 C ATOM 1434 O VAL A 93 11.524 -4.712 -13.493 1.00 0.00 O ATOM 1435 CB VAL A 93 10.934 -2.207 -11.260 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.480 -2.504 -9.863 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.700 -0.702 -11.404 1.00 0.00 C ATOM 0 H VAL A 93 10.786 -2.422 -14.088 1.00 0.00 H new ATOM 0 HA VAL A 93 12.948 -2.380 -12.010 1.00 0.00 H new ATOM 0 HB VAL A 93 9.992 -2.737 -11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.761 -2.173 -9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.646 -3.576 -9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.422 -1.975 -9.721 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.982 -0.372 -10.653 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.642 -0.172 -11.263 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.309 -0.488 -12.399 1.00 0.00 H new ATOM 1447 N GLN A 94 12.175 -4.913 -11.412 1.00 0.00 N ATOM 1448 CA GLN A 94 12.105 -6.395 -11.495 1.00 0.00 C ATOM 1449 C GLN A 94 11.216 -6.915 -10.364 1.00 0.00 C ATOM 1450 O GLN A 94 11.322 -6.486 -9.232 1.00 0.00 O ATOM 1451 CB GLN A 94 13.511 -6.985 -11.356 1.00 0.00 C ATOM 1452 CG GLN A 94 13.415 -8.507 -11.237 1.00 0.00 C ATOM 1453 CD GLN A 94 13.956 -8.947 -9.874 1.00 0.00 C ATOM 1454 OE1 GLN A 94 13.201 -9.333 -9.004 1.00 0.00 O ATOM 1455 NE2 GLN A 94 15.241 -8.904 -9.651 1.00 0.00 N ATOM 0 H GLN A 94 12.472 -4.540 -10.510 1.00 0.00 H new ATOM 0 HA GLN A 94 11.688 -6.691 -12.458 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.118 -6.715 -12.220 1.00 0.00 H new ATOM 0 HB3 GLN A 94 14.006 -6.571 -10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.379 -8.827 -11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.984 -8.982 -12.037 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.875 -8.580 -10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.612 -9.195 -8.746 1.00 0.00 H new ATOM 1464 N HIS A 95 10.336 -7.831 -10.658 1.00 0.00 N ATOM 1465 CA HIS A 95 9.438 -8.369 -9.599 1.00 0.00 C ATOM 1466 C HIS A 95 9.417 -9.894 -9.679 1.00 0.00 C ATOM 1467 O HIS A 95 9.568 -10.469 -10.736 1.00 0.00 O ATOM 1468 CB HIS A 95 8.028 -7.823 -9.814 1.00 0.00 C ATOM 1469 CG HIS A 95 8.113 -6.397 -10.283 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.106 -5.850 -11.541 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.236 -5.329 -9.407 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 8.222 -4.467 -11.452 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.298 -4.205 -10.146 1.00 0.00 N flip ATOM 0 H HIS A 95 10.200 -8.230 -11.587 1.00 0.00 H new ATOM 0 HA HIS A 95 9.801 -8.065 -8.617 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.499 -8.429 -10.550 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.458 -7.879 -8.886 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.275 -5.388 -8.329 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.246 -3.757 -12.266 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.392 -3.268 -9.755 1.00 0.00 H new ATOM 1481 N ARG A 96 9.240 -10.556 -8.568 1.00 0.00 N ATOM 1482 CA ARG A 96 9.225 -12.046 -8.587 1.00 0.00 C ATOM 1483 C ARG A 96 7.819 -12.568 -8.293 1.00 0.00 C ATOM 1484 O ARG A 96 7.138 -12.094 -7.405 1.00 0.00 O ATOM 1485 CB ARG A 96 10.191 -12.573 -7.526 1.00 0.00 C ATOM 1486 CG ARG A 96 9.653 -12.242 -6.133 1.00 0.00 C ATOM 1487 CD ARG A 96 10.696 -12.614 -5.079 1.00 0.00 C ATOM 1488 NE ARG A 96 10.543 -14.051 -4.714 1.00 0.00 N ATOM 1489 CZ ARG A 96 10.659 -14.973 -5.631 1.00 0.00 C ATOM 1490 NH1 ARG A 96 11.764 -15.072 -6.320 1.00 0.00 N ATOM 1491 NH2 ARG A 96 9.671 -15.794 -5.860 1.00 0.00 N ATOM 0 H ARG A 96 9.106 -10.131 -7.651 1.00 0.00 H new ATOM 0 HA ARG A 96 9.530 -12.391 -9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.312 -13.651 -7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.176 -12.126 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.417 -11.180 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.727 -12.787 -5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.699 -12.430 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.574 -11.988 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 96 10.348 -14.314 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.536 -14.429 -6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.855 -15.792 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.808 -15.716 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.762 -16.514 -6.577 1.00 0.00 H new ATOM 1505 N GLU A 97 7.388 -13.557 -9.027 1.00 0.00 N ATOM 1506 CA GLU A 97 6.036 -14.135 -8.792 1.00 0.00 C ATOM 1507 C GLU A 97 6.103 -15.652 -8.990 1.00 0.00 C ATOM 1508 O GLU A 97 7.059 -16.173 -9.532 1.00 0.00 O ATOM 1509 CB GLU A 97 5.033 -13.526 -9.770 1.00 0.00 C ATOM 1510 CG GLU A 97 5.171 -12.003 -9.767 1.00 0.00 C ATOM 1511 CD GLU A 97 4.793 -11.455 -8.389 1.00 0.00 C ATOM 1512 OE1 GLU A 97 3.835 -11.952 -7.820 1.00 0.00 O ATOM 1513 OE2 GLU A 97 5.467 -10.550 -7.928 1.00 0.00 O ATOM 0 H GLU A 97 7.917 -13.991 -9.783 1.00 0.00 H new ATOM 0 HA GLU A 97 5.712 -13.912 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.207 -13.915 -10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.019 -13.810 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.194 -11.720 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.527 -11.568 -10.531 1.00 0.00 H new ATOM 1520 N VAL A 98 5.113 -16.369 -8.533 1.00 0.00 N ATOM 1521 CA VAL A 98 5.135 -17.854 -8.667 1.00 0.00 C ATOM 1522 C VAL A 98 3.701 -18.384 -8.582 1.00 0.00 C ATOM 1523 O VAL A 98 2.756 -17.635 -8.669 1.00 0.00 O ATOM 1524 CB VAL A 98 5.937 -18.427 -7.499 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.525 -19.782 -7.884 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.076 -17.475 -7.124 1.00 0.00 C ATOM 0 H VAL A 98 4.287 -15.989 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 98 5.581 -18.142 -9.619 1.00 0.00 H new ATOM 0 HB VAL A 98 5.269 -18.547 -6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.095 -20.183 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.718 -20.470 -8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.182 -19.662 -8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.641 -17.893 -6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.737 -17.343 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.662 -16.509 -6.833 1.00 0.00 H new ATOM 1536 N GLN A 99 3.536 -19.669 -8.387 1.00 0.00 N ATOM 1537 CA GLN A 99 2.162 -20.237 -8.269 1.00 0.00 C ATOM 1538 C GLN A 99 1.639 -19.944 -6.862 1.00 0.00 C ATOM 1539 O GLN A 99 1.614 -20.801 -6.000 1.00 0.00 O ATOM 1540 CB GLN A 99 2.211 -21.750 -8.495 1.00 0.00 C ATOM 1541 CG GLN A 99 1.050 -22.169 -9.400 1.00 0.00 C ATOM 1542 CD GLN A 99 0.682 -23.626 -9.113 1.00 0.00 C ATOM 1543 OE1 GLN A 99 0.922 -24.497 -9.926 1.00 0.00 O ATOM 1544 NE2 GLN A 99 0.103 -23.930 -7.984 1.00 0.00 N ATOM 0 H GLN A 99 4.294 -20.347 -8.305 1.00 0.00 H new ATOM 0 HA GLN A 99 1.505 -19.790 -9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.161 -22.030 -8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.149 -22.273 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.189 -21.524 -9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.330 -22.053 -10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.099 -23.199 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.148 -24.898 -7.784 1.00 0.00 H new ATOM 1553 N GLY A 100 1.245 -18.726 -6.621 1.00 0.00 N ATOM 1554 CA GLY A 100 0.748 -18.336 -5.274 1.00 0.00 C ATOM 1555 C GLY A 100 1.409 -17.011 -4.888 1.00 0.00 C ATOM 1556 O GLY A 100 1.017 -16.357 -3.942 1.00 0.00 O ATOM 0 H GLY A 100 1.246 -17.974 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.337 -18.231 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.987 -19.108 -4.542 1.00 0.00 H new ATOM 1560 N HIS A 101 2.412 -16.615 -5.628 1.00 0.00 N ATOM 1561 CA HIS A 101 3.116 -15.337 -5.335 1.00 0.00 C ATOM 1562 C HIS A 101 2.571 -14.242 -6.256 1.00 0.00 C ATOM 1563 O HIS A 101 2.808 -13.068 -6.052 1.00 0.00 O ATOM 1564 CB HIS A 101 4.614 -15.527 -5.592 1.00 0.00 C ATOM 1565 CG HIS A 101 5.296 -15.940 -4.317 1.00 0.00 C ATOM 1566 ND1 HIS A 101 5.212 -15.188 -3.156 1.00 0.00 N ATOM 1567 CD2 HIS A 101 6.076 -17.026 -4.005 1.00 0.00 C ATOM 1568 CE1 HIS A 101 5.924 -15.824 -2.209 1.00 0.00 C ATOM 1569 NE2 HIS A 101 6.473 -16.950 -2.672 1.00 0.00 N ATOM 0 H HIS A 101 2.775 -17.130 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 101 2.956 -15.049 -4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.768 -16.284 -6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.050 -14.600 -5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.341 -17.819 -4.689 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.038 -15.467 -1.196 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.057 -17.611 -2.160 1.00 0.00 H new ATOM 1577 N GLU A 102 1.837 -14.623 -7.268 1.00 0.00 N ATOM 1578 CA GLU A 102 1.266 -13.619 -8.214 1.00 0.00 C ATOM 1579 C GLU A 102 -0.121 -13.181 -7.705 1.00 0.00 C ATOM 1580 O GLU A 102 -1.001 -12.860 -8.476 1.00 0.00 O ATOM 1581 CB GLU A 102 1.164 -14.266 -9.611 1.00 0.00 C ATOM 1582 CG GLU A 102 -0.236 -14.863 -9.838 1.00 0.00 C ATOM 1583 CD GLU A 102 -0.173 -15.957 -10.905 1.00 0.00 C ATOM 1584 OE1 GLU A 102 0.295 -15.670 -11.993 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -0.595 -17.064 -10.615 1.00 0.00 O ATOM 0 H GLU A 102 1.607 -15.594 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 102 1.903 -12.737 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.375 -13.521 -10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.918 -15.047 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.620 -15.276 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.928 -14.080 -10.149 1.00 0.00 H new ATOM 1592 N SER A 103 -0.313 -13.198 -6.411 1.00 0.00 N ATOM 1593 CA SER A 103 -1.633 -12.826 -5.812 1.00 0.00 C ATOM 1594 C SER A 103 -2.132 -11.456 -6.312 1.00 0.00 C ATOM 1595 O SER A 103 -2.010 -11.116 -7.470 1.00 0.00 O ATOM 1596 CB SER A 103 -1.486 -12.795 -4.290 1.00 0.00 C ATOM 1597 OG SER A 103 -0.705 -11.667 -3.917 1.00 0.00 O ATOM 0 H SER A 103 0.401 -13.458 -5.731 1.00 0.00 H new ATOM 0 HA SER A 103 -2.370 -13.569 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.468 -12.744 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.012 -13.712 -3.940 1.00 0.00 H new ATOM 0 HG SER A 103 -1.027 -11.315 -3.061 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.726 -10.678 -5.441 1.00 0.00 N ATOM 1604 CA GLU A 104 -3.271 -9.348 -5.849 1.00 0.00 C ATOM 1605 C GLU A 104 -2.338 -8.653 -6.844 1.00 0.00 C ATOM 1606 O GLU A 104 -2.766 -7.829 -7.625 1.00 0.00 O ATOM 1607 CB GLU A 104 -3.428 -8.467 -4.608 1.00 0.00 C ATOM 1608 CG GLU A 104 -2.095 -8.391 -3.862 1.00 0.00 C ATOM 1609 CD GLU A 104 -2.255 -8.997 -2.466 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -3.100 -8.518 -1.728 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -1.529 -9.929 -2.160 1.00 0.00 O ATOM 0 H GLU A 104 -2.857 -10.910 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.237 -9.503 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.752 -7.467 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.199 -8.875 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.325 -8.927 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.768 -7.354 -3.784 1.00 0.00 H new ATOM 1618 N THR A 105 -1.072 -8.960 -6.825 1.00 0.00 N ATOM 1619 CA THR A 105 -0.139 -8.291 -7.776 1.00 0.00 C ATOM 1620 C THR A 105 -0.456 -8.717 -9.214 1.00 0.00 C ATOM 1621 O THR A 105 -0.726 -7.892 -10.067 1.00 0.00 O ATOM 1622 CB THR A 105 1.302 -8.678 -7.435 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.416 -8.884 -6.035 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.248 -7.557 -7.867 1.00 0.00 C ATOM 0 H THR A 105 -0.644 -9.640 -6.197 1.00 0.00 H new ATOM 0 HA THR A 105 -0.259 -7.211 -7.691 1.00 0.00 H new ATOM 0 HB THR A 105 1.567 -9.596 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.338 -9.134 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.274 -7.833 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.159 -7.400 -8.942 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.986 -6.638 -7.343 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.424 -9.991 -9.498 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.721 -10.436 -10.887 1.00 0.00 C ATOM 1634 C PHE A 106 -2.187 -10.134 -11.184 1.00 0.00 C ATOM 1635 O PHE A 106 -2.530 -9.619 -12.229 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.469 -11.939 -11.001 1.00 0.00 C ATOM 1637 CG PHE A 106 0.264 -12.240 -12.294 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.298 -11.398 -12.723 1.00 0.00 C ATOM 1639 CD2 PHE A 106 -0.078 -13.367 -13.053 1.00 0.00 C ATOM 1640 CE1 PHE A 106 1.987 -11.678 -13.911 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.614 -13.650 -14.240 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.646 -12.805 -14.669 1.00 0.00 C ATOM 0 H PHE A 106 -0.207 -10.735 -8.835 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.082 -9.914 -11.599 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.119 -12.284 -10.150 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.416 -12.479 -10.975 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.565 -10.531 -12.137 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.875 -14.018 -12.724 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.781 -11.025 -14.242 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.351 -14.520 -14.824 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.178 -13.023 -15.583 1.00 0.00 H new ATOM 1652 N ARG A 107 -3.056 -10.434 -10.256 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.497 -10.144 -10.469 1.00 0.00 C ATOM 1654 C ARG A 107 -4.685 -8.630 -10.511 1.00 0.00 C ATOM 1655 O ARG A 107 -5.683 -8.128 -10.988 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.316 -10.734 -9.319 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.808 -10.571 -9.619 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.515 -11.917 -9.447 1.00 0.00 C ATOM 1659 NE ARG A 107 -8.144 -11.978 -8.098 1.00 0.00 N ATOM 1660 CZ ARG A 107 -9.435 -11.837 -7.974 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -9.971 -10.649 -8.045 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -10.191 -12.883 -7.777 1.00 0.00 N ATOM 0 H ARG A 107 -2.827 -10.867 -9.361 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.834 -10.588 -11.406 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.073 -11.789 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.065 -10.232 -8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.245 -9.831 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.947 -10.203 -10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.273 -12.043 -10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.801 -12.733 -9.565 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.566 -12.130 -7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.381 -9.831 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.980 -10.538 -7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.772 -13.811 -7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.200 -12.772 -7.680 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.720 -7.897 -10.023 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.830 -6.413 -10.042 1.00 0.00 C ATOM 1678 C ALA A 108 -3.688 -5.931 -11.482 1.00 0.00 C ATOM 1679 O ALA A 108 -4.442 -5.101 -11.950 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.719 -5.798 -9.188 1.00 0.00 C ATOM 0 H ALA A 108 -2.861 -8.264 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.796 -6.111 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.805 -4.712 -9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.811 -6.152 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.748 -6.092 -9.587 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.726 -6.452 -12.190 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.532 -6.034 -13.605 1.00 0.00 C ATOM 1688 C TYR A 109 -3.593 -6.701 -14.484 1.00 0.00 C ATOM 1689 O TYR A 109 -3.846 -6.276 -15.594 1.00 0.00 O ATOM 1690 CB TYR A 109 -1.139 -6.456 -14.074 1.00 0.00 C ATOM 1691 CG TYR A 109 -0.104 -5.949 -13.097 1.00 0.00 C ATOM 1692 CD1 TYR A 109 -0.133 -4.614 -12.676 1.00 0.00 C ATOM 1693 CD2 TYR A 109 0.884 -6.814 -12.613 1.00 0.00 C ATOM 1694 CE1 TYR A 109 0.825 -4.144 -11.771 1.00 0.00 C ATOM 1695 CE2 TYR A 109 1.843 -6.344 -11.707 1.00 0.00 C ATOM 1696 CZ TYR A 109 1.813 -5.009 -11.286 1.00 0.00 C ATOM 1697 OH TYR A 109 2.758 -4.546 -10.394 1.00 0.00 O ATOM 0 H TYR A 109 -2.065 -7.150 -11.849 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.627 -4.951 -13.681 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.082 -7.542 -14.149 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.942 -6.057 -15.069 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.895 -3.947 -13.050 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.907 -7.844 -12.938 1.00 0.00 H new ATOM 0 HE1 TYR A 109 0.802 -3.114 -11.447 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.606 -7.011 -11.333 1.00 0.00 H new ATOM 0 HH TYR A 109 3.491 -5.193 -10.329 1.00 0.00 H new ATOM 1707 N PHE A 110 -4.221 -7.741 -13.999 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.266 -8.425 -14.816 1.00 0.00 C ATOM 1709 C PHE A 110 -6.635 -8.206 -14.172 1.00 0.00 C ATOM 1710 O PHE A 110 -7.026 -8.914 -13.265 1.00 0.00 O ATOM 1711 CB PHE A 110 -4.986 -9.931 -14.883 1.00 0.00 C ATOM 1712 CG PHE A 110 -3.562 -10.182 -15.312 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.831 -9.188 -15.972 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -2.974 -11.420 -15.042 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.509 -9.436 -16.360 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -1.655 -11.667 -15.427 1.00 0.00 C ATOM 1717 CZ PHE A 110 -0.921 -10.676 -16.086 1.00 0.00 C ATOM 0 H PHE A 110 -4.056 -8.144 -13.077 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.252 -8.010 -15.824 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.164 -10.384 -13.908 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.673 -10.404 -15.585 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.286 -8.231 -16.182 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.540 -12.187 -14.535 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.943 -8.671 -16.871 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.201 -12.624 -15.216 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.099 -10.867 -16.383 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.369 -7.234 -14.636 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.714 -6.974 -14.050 1.00 0.00 C ATOM 1729 C LYS A 111 -9.652 -8.137 -14.388 1.00 0.00 C ATOM 1730 O LYS A 111 -10.372 -8.100 -15.365 1.00 0.00 O ATOM 1731 CB LYS A 111 -9.281 -5.677 -14.628 1.00 0.00 C ATOM 1732 CG LYS A 111 -9.458 -4.652 -13.506 1.00 0.00 C ATOM 1733 CD LYS A 111 -10.787 -3.918 -13.690 1.00 0.00 C ATOM 1734 CE LYS A 111 -10.766 -3.145 -15.010 1.00 0.00 C ATOM 1735 NZ LYS A 111 -10.011 -1.873 -14.829 1.00 0.00 N ATOM 0 H LYS A 111 -7.097 -6.609 -15.395 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.626 -6.881 -12.968 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.611 -5.283 -15.392 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.238 -5.870 -15.113 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.437 -5.151 -12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.633 -3.940 -13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.612 -4.631 -13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.955 -3.234 -12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.301 -3.748 -15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.784 -2.933 -15.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.011 -1.339 -15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.463 -1.304 -14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.031 -2.087 -14.554 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.647 -9.169 -13.587 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.538 -10.334 -13.859 1.00 0.00 C ATOM 1751 C GLN A 112 -10.004 -11.119 -15.059 1.00 0.00 C ATOM 1752 O GLN A 112 -10.545 -11.054 -16.145 1.00 0.00 O ATOM 1753 CB GLN A 112 -11.954 -9.839 -14.162 1.00 0.00 C ATOM 1754 CG GLN A 112 -12.354 -8.770 -13.141 1.00 0.00 C ATOM 1755 CD GLN A 112 -12.379 -9.386 -11.742 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -11.386 -9.370 -11.040 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -13.480 -9.932 -11.301 1.00 0.00 N ATOM 0 H GLN A 112 -9.063 -9.255 -12.755 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.561 -10.982 -12.983 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.998 -9.428 -15.170 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.657 -10.672 -14.126 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.648 -7.940 -13.172 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -13.335 -8.364 -13.389 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.313 -9.946 -11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.507 -10.345 -10.369 1.00 0.00 H new ATOM 1766 N GLY A 113 -8.948 -11.864 -14.872 1.00 0.00 N ATOM 1767 CA GLY A 113 -8.383 -12.656 -16.003 1.00 0.00 C ATOM 1768 C GLY A 113 -7.176 -13.462 -15.517 1.00 0.00 C ATOM 1769 O GLY A 113 -6.066 -13.266 -15.969 1.00 0.00 O ATOM 0 H GLY A 113 -8.452 -11.959 -13.986 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.142 -13.327 -16.405 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.085 -11.990 -16.813 1.00 0.00 H new ATOM 1773 N LEU A 114 -7.384 -14.368 -14.600 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.246 -15.185 -14.085 1.00 0.00 C ATOM 1775 C LEU A 114 -6.531 -16.669 -14.339 1.00 0.00 C ATOM 1776 O LEU A 114 -6.652 -17.450 -13.416 1.00 0.00 O ATOM 1777 CB LEU A 114 -6.091 -14.956 -12.579 1.00 0.00 C ATOM 1778 CG LEU A 114 -5.310 -13.664 -12.319 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.842 -13.859 -12.694 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -5.898 -12.530 -13.159 1.00 0.00 C ATOM 0 H LEU A 114 -8.292 -14.578 -14.185 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.329 -14.891 -14.596 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -7.073 -14.897 -12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.572 -15.801 -12.127 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.383 -13.413 -11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.293 -12.936 -12.506 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.417 -14.663 -12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.768 -14.117 -13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.341 -11.612 -12.972 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.830 -12.787 -14.216 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.943 -12.381 -12.888 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.639 -17.067 -15.578 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.918 -18.502 -15.872 1.00 0.00 C ATOM 1794 C ILE A 115 -5.598 -19.279 -15.907 1.00 0.00 C ATOM 1795 O ILE A 115 -4.536 -18.712 -16.080 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.664 -18.614 -17.223 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -8.940 -19.441 -17.013 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -6.792 -19.288 -18.302 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.451 -19.965 -18.360 1.00 0.00 C ATOM 0 H ILE A 115 -6.547 -16.464 -16.395 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.550 -18.929 -15.093 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.905 -17.609 -17.568 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.736 -20.276 -16.342 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.706 -18.829 -16.537 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.351 -19.348 -19.236 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.887 -18.701 -18.458 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.521 -20.292 -17.976 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.357 -20.551 -18.203 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.672 -19.124 -19.017 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -8.688 -20.593 -18.819 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.660 -20.573 -15.771 1.00 0.00 N ATOM 1812 CA TYR A 116 -4.412 -21.378 -15.822 1.00 0.00 C ATOM 1813 C TYR A 116 -4.665 -22.665 -16.607 1.00 0.00 C ATOM 1814 O TYR A 116 -5.792 -23.047 -16.855 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.948 -21.721 -14.406 1.00 0.00 C ATOM 1816 CG TYR A 116 -4.340 -20.616 -13.457 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -3.785 -19.340 -13.602 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -5.257 -20.868 -12.430 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -4.146 -18.314 -12.720 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -5.619 -19.843 -11.548 1.00 0.00 C ATOM 1821 CZ TYR A 116 -5.063 -18.566 -11.693 1.00 0.00 C ATOM 1822 OH TYR A 116 -5.420 -17.555 -10.823 1.00 0.00 O ATOM 0 H TYR A 116 -6.518 -21.106 -15.627 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.634 -20.797 -16.317 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -4.394 -22.663 -14.086 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.867 -21.859 -14.391 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -3.078 -19.146 -14.395 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -5.685 -21.853 -12.318 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.717 -17.329 -12.832 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.327 -20.037 -10.756 1.00 0.00 H new ATOM 0 HH TYR A 116 -6.066 -17.898 -10.171 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.618 -23.331 -17.000 1.00 0.00 N ATOM 1833 CA LYS A 117 -3.770 -24.594 -17.775 1.00 0.00 C ATOM 1834 C LYS A 117 -2.623 -25.543 -17.415 1.00 0.00 C ATOM 1835 O LYS A 117 -2.031 -25.442 -16.359 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.719 -24.301 -19.279 1.00 0.00 C ATOM 1837 CG LYS A 117 -4.128 -22.850 -19.555 1.00 0.00 C ATOM 1838 CD LYS A 117 -5.642 -22.706 -19.393 1.00 0.00 C ATOM 1839 CE LYS A 117 -6.294 -22.570 -20.771 1.00 0.00 C ATOM 1840 NZ LYS A 117 -7.773 -22.679 -20.634 1.00 0.00 N ATOM 0 H LYS A 117 -2.654 -23.053 -16.816 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.730 -25.049 -17.530 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.712 -24.480 -19.657 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.385 -24.981 -19.811 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.613 -22.179 -18.868 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.831 -22.563 -20.564 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.047 -23.574 -18.872 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.871 -21.832 -18.783 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.029 -21.611 -21.217 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.922 -23.346 -21.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.162 -23.180 -21.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.003 -23.207 -19.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.188 -21.727 -20.580 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.301 -26.461 -18.284 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.187 -27.407 -17.990 1.00 0.00 C ATOM 1856 C GLN A 118 0.128 -26.845 -18.534 1.00 0.00 C ATOM 1857 O GLN A 118 0.142 -25.883 -19.273 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.474 -28.759 -18.643 1.00 0.00 C ATOM 1859 CG GLN A 118 -0.621 -29.839 -17.976 1.00 0.00 C ATOM 1860 CD GLN A 118 -1.505 -31.030 -17.605 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -2.532 -31.320 -18.356 1.00 0.00 O flip ATOM 1862 NE2 GLN A 118 -1.260 -31.702 -16.623 1.00 0.00 N flip ATOM 0 H GLN A 118 -2.760 -26.597 -19.184 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.104 -27.536 -16.911 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.532 -29.004 -18.546 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.254 -28.714 -19.710 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.173 -30.158 -18.651 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.140 -29.438 -17.084 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.457 -31.474 -16.037 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.857 -32.494 -16.385 1.00 0.00 H new ATOM 1871 N GLY A 119 1.232 -27.444 -18.178 1.00 0.00 N ATOM 1872 CA GLY A 119 2.547 -26.947 -18.678 1.00 0.00 C ATOM 1873 C GLY A 119 3.000 -27.805 -19.862 1.00 0.00 C ATOM 1874 O GLY A 119 2.249 -28.607 -20.380 1.00 0.00 O ATOM 0 H GLY A 119 1.281 -28.256 -17.563 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.462 -25.904 -18.983 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.290 -26.987 -17.881 1.00 0.00 H new ATOM 1878 N GLY A 120 4.222 -27.642 -20.296 1.00 0.00 N ATOM 1879 CA GLY A 120 4.716 -28.449 -21.448 1.00 0.00 C ATOM 1880 C GLY A 120 3.679 -28.419 -22.571 1.00 0.00 C ATOM 1881 O GLY A 120 2.740 -29.190 -22.584 1.00 0.00 O ATOM 0 H GLY A 120 4.897 -26.986 -19.903 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.666 -28.051 -21.805 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.899 -29.477 -21.134 1.00 0.00 H new ATOM 1885 N VAL A 121 3.842 -27.536 -23.518 1.00 0.00 N ATOM 1886 CA VAL A 121 2.870 -27.459 -24.636 1.00 0.00 C ATOM 1887 C VAL A 121 3.329 -28.368 -25.764 1.00 0.00 C ATOM 1888 O VAL A 121 4.240 -28.060 -26.507 1.00 0.00 O ATOM 1889 CB VAL A 121 2.776 -26.032 -25.160 1.00 0.00 C ATOM 1890 CG1 VAL A 121 1.373 -25.798 -25.723 1.00 0.00 C ATOM 1891 CG2 VAL A 121 3.046 -25.043 -24.025 1.00 0.00 C ATOM 0 H VAL A 121 4.609 -26.865 -23.562 1.00 0.00 H new ATOM 0 HA VAL A 121 1.891 -27.772 -24.272 1.00 0.00 H new ATOM 0 HB VAL A 121 3.518 -25.882 -25.945 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.298 -24.778 -26.100 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.185 -26.500 -26.535 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.635 -25.949 -24.935 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.977 -24.024 -24.406 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.308 -25.185 -23.235 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.045 -25.214 -23.624 1.00 0.00 H new