USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=39 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 68 ASN : amide:sc= -6.89! C(o=-6.9!,f=-13!) USER MOD Set 1.2: A 99 GLN : amide:sc= 0 K(o=-6.9,f=-8.1) USER MOD Set 2.1: A 60 ASN : amide:sc= -6.93! C(o=-34!,f=-43!) USER MOD Set 2.2: A 62 HIS :FLIP no HE2:sc= -11! C(o=-35!,f=-34!) USER MOD Set 2.3: A 95 HIS :FLIP no HD1:sc= -16.4! C(o=-37!,f=-34!) USER MOD Set 2.4: A 109 TYR OH : rot -154:sc= 0.0382 USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 53 THR OG1 : rot 28:sc= 0.49 USER MOD Set 4.2: A 58 SER OG : rot 180:sc= -0.011 USER MOD Set 5.1: A 35 SER OG : rot 42:sc= 0.339 USER MOD Set 5.2: A 38 ASN : amide:sc= -1.11 K(o=-0.77,f=-5.5!) USER MOD Single : A 1 VAL N :NH3+ -101:sc= 0.0892 (180deg=-0.166) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= -0.079 (180deg=-0.935) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -30:sc= -4.56! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 20:sc= -0.1 USER MOD Single : A 15 THR OG1 : rot 1:sc= 0.599 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.975 F(o=-2.4!,f=-0.97) USER MOD Single : A 25 ASN : amide:sc= -2.65 K(o=-2.6,f=-9!) USER MOD Single : A 26 MET CE :methyl -137:sc= -12! (180deg=-16.7!) USER MOD Single : A 28 MET CE :methyl 158:sc= -11.8! (180deg=-12.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 165:sc= -0.0871 USER MOD Single : A 44 CYS SG : rot 41:sc= -2.85! USER MOD Single : A 45 TYR OH : rot 180:sc= -1.89 USER MOD Single : A 49 SER OG : rot 180:sc= -4.77! USER MOD Single : A 50 THR OG1 : rot -68:sc= 0.307 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.153) USER MOD Single : A 55 SER OG : rot 180:sc= -0.955! USER MOD Single : A 63 TYR OH : rot -25:sc= -4.18! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -105:sc= -3.69! USER MOD Single : A 70 SER OG : rot 139:sc= 0.778 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 74 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.015) USER MOD Single : A 80 TYR OH : rot 150:sc=-0.00383 USER MOD Single : A 81 THR OG1 : rot 80:sc= 0.065 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.27! C(o=-2.3!,f=-6.7!) USER MOD Single : A 84 MET CE :methyl -147:sc= -0.728 (180deg=-4.35!) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 90 SER OG : rot 170:sc= 1.05 USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0356 X(o=-0.036,f=-0.05) USER MOD Single : A 103 SER OG : rot 180:sc= 0.039 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00406 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.481! C(o=-2.1!,f=-0.48!) USER MOD Single : A 116 TYR OH : rot -39:sc= -1 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.926 -17.695 -28.220 1.00 0.00 N ATOM 2 CA VAL A 1 13.412 -17.609 -28.296 1.00 0.00 C ATOM 3 C VAL A 1 13.892 -16.377 -27.525 1.00 0.00 C ATOM 4 O VAL A 1 13.105 -15.548 -27.110 1.00 0.00 O ATOM 5 CB VAL A 1 13.841 -17.492 -29.759 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.468 -16.109 -30.294 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.356 -17.686 -29.861 1.00 0.00 C ATOM 0 H1 VAL A 1 11.655 -18.400 -27.505 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.538 -16.767 -27.956 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.547 -17.978 -29.146 1.00 0.00 H new ATOM 0 HA VAL A 1 13.851 -18.506 -27.858 1.00 0.00 H new ATOM 0 HB VAL A 1 13.334 -18.256 -30.348 1.00 0.00 H new ATOM 0 HG11 VAL A 1 13.775 -16.027 -31.337 1.00 0.00 H new ATOM 0 HG12 VAL A 1 12.389 -15.969 -30.221 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.974 -15.343 -29.706 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.664 -17.603 -30.903 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.861 -16.921 -29.271 1.00 0.00 H new ATOM 0 HG23 VAL A 1 15.623 -18.672 -29.481 1.00 0.00 H new ATOM 19 N GLU A 2 15.176 -16.252 -27.329 1.00 0.00 N ATOM 20 CA GLU A 2 15.707 -15.075 -26.585 1.00 0.00 C ATOM 21 C GLU A 2 14.995 -13.806 -27.055 1.00 0.00 C ATOM 22 O GLU A 2 15.002 -13.478 -28.225 1.00 0.00 O ATOM 23 CB GLU A 2 17.209 -14.943 -26.847 1.00 0.00 C ATOM 24 CG GLU A 2 17.441 -14.567 -28.312 1.00 0.00 C ATOM 25 CD GLU A 2 18.851 -14.991 -28.730 1.00 0.00 C ATOM 26 OE1 GLU A 2 19.438 -15.797 -28.028 1.00 0.00 O ATOM 27 OE2 GLU A 2 19.318 -14.500 -29.744 1.00 0.00 O ATOM 0 H GLU A 2 15.881 -16.915 -27.652 1.00 0.00 H new ATOM 0 HA GLU A 2 15.533 -15.213 -25.518 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.637 -14.183 -26.193 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.713 -15.882 -26.617 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.700 -15.055 -28.946 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.318 -13.492 -28.447 1.00 0.00 H new ATOM 34 N LEU A 3 14.383 -13.087 -26.152 1.00 0.00 N ATOM 35 CA LEU A 3 13.677 -11.837 -26.550 1.00 0.00 C ATOM 36 C LEU A 3 14.558 -11.053 -27.524 1.00 0.00 C ATOM 37 O LEU A 3 15.743 -10.891 -27.309 1.00 0.00 O ATOM 38 CB LEU A 3 13.401 -10.988 -25.307 1.00 0.00 C ATOM 39 CG LEU A 3 14.716 -10.422 -24.768 1.00 0.00 C ATOM 40 CD1 LEU A 3 14.428 -9.532 -23.560 1.00 0.00 C ATOM 41 CD2 LEU A 3 15.631 -11.574 -24.345 1.00 0.00 C ATOM 0 H LEU A 3 14.342 -13.312 -25.158 1.00 0.00 H new ATOM 0 HA LEU A 3 12.731 -12.085 -27.031 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.718 -10.175 -25.554 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.913 -11.593 -24.542 1.00 0.00 H new ATOM 0 HG LEU A 3 15.206 -9.835 -25.545 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.364 -9.128 -23.175 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.775 -8.712 -23.859 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.939 -10.120 -22.783 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.568 -11.172 -23.961 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.142 -12.160 -23.567 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.835 -12.211 -25.205 1.00 0.00 H new ATOM 53 N SER A 4 13.996 -10.577 -28.600 1.00 0.00 N ATOM 54 CA SER A 4 14.811 -9.819 -29.592 1.00 0.00 C ATOM 55 C SER A 4 14.822 -8.332 -29.238 1.00 0.00 C ATOM 56 O SER A 4 14.279 -7.916 -28.235 1.00 0.00 O ATOM 57 CB SER A 4 14.214 -10.002 -30.985 1.00 0.00 C ATOM 58 OG SER A 4 14.342 -11.362 -31.377 1.00 0.00 O ATOM 0 H SER A 4 13.009 -10.679 -28.836 1.00 0.00 H new ATOM 0 HA SER A 4 15.833 -10.197 -29.575 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.164 -9.709 -30.984 1.00 0.00 H new ATOM 0 HB3 SER A 4 14.724 -9.356 -31.699 1.00 0.00 H new ATOM 0 HG SER A 4 13.958 -11.482 -32.270 1.00 0.00 H new ATOM 64 N LYS A 5 15.437 -7.526 -30.063 1.00 0.00 N ATOM 65 CA LYS A 5 15.484 -6.064 -29.782 1.00 0.00 C ATOM 66 C LYS A 5 14.099 -5.463 -30.020 1.00 0.00 C ATOM 67 O LYS A 5 13.703 -4.518 -29.367 1.00 0.00 O ATOM 68 CB LYS A 5 16.505 -5.393 -30.705 1.00 0.00 C ATOM 69 CG LYS A 5 16.242 -5.804 -32.155 1.00 0.00 C ATOM 70 CD LYS A 5 17.319 -6.790 -32.612 1.00 0.00 C ATOM 71 CE LYS A 5 16.928 -7.383 -33.967 1.00 0.00 C ATOM 72 NZ LYS A 5 16.513 -8.802 -33.786 1.00 0.00 N ATOM 0 H LYS A 5 15.908 -7.819 -30.919 1.00 0.00 H new ATOM 0 HA LYS A 5 15.780 -5.900 -28.746 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.440 -4.309 -30.607 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.516 -5.680 -30.414 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.256 -6.261 -32.241 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.243 -4.924 -32.799 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.281 -6.284 -32.689 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.435 -7.585 -31.875 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.113 -6.808 -34.406 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.769 -7.324 -34.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.733 -9.341 -34.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.026 -9.214 -32.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.490 -8.844 -33.603 1.00 0.00 H new ATOM 86 N LYS A 6 13.351 -6.012 -30.938 1.00 0.00 N ATOM 87 CA LYS A 6 11.985 -5.478 -31.199 1.00 0.00 C ATOM 88 C LYS A 6 11.057 -5.965 -30.089 1.00 0.00 C ATOM 89 O LYS A 6 10.090 -5.320 -29.739 1.00 0.00 O ATOM 90 CB LYS A 6 11.485 -5.988 -32.552 1.00 0.00 C ATOM 91 CG LYS A 6 12.206 -5.242 -33.677 1.00 0.00 C ATOM 92 CD LYS A 6 11.570 -3.864 -33.868 1.00 0.00 C ATOM 93 CE LYS A 6 11.535 -3.519 -35.358 1.00 0.00 C ATOM 94 NZ LYS A 6 11.472 -2.038 -35.523 1.00 0.00 N ATOM 0 H LYS A 6 13.626 -6.805 -31.517 1.00 0.00 H new ATOM 0 HA LYS A 6 12.004 -4.388 -31.218 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.665 -7.060 -32.638 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.408 -5.838 -32.634 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.264 -5.135 -33.437 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.145 -5.813 -34.603 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.560 -3.858 -33.459 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.139 -3.111 -33.323 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.421 -3.914 -35.855 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.670 -3.986 -35.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.448 -1.802 -36.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.614 -1.674 -35.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.310 -1.604 -35.086 1.00 0.00 H new ATOM 108 N VAL A 7 11.360 -7.102 -29.527 1.00 0.00 N ATOM 109 CA VAL A 7 10.518 -7.647 -28.429 1.00 0.00 C ATOM 110 C VAL A 7 10.728 -6.783 -27.179 1.00 0.00 C ATOM 111 O VAL A 7 9.812 -6.157 -26.683 1.00 0.00 O ATOM 112 CB VAL A 7 10.934 -9.106 -28.167 1.00 0.00 C ATOM 113 CG1 VAL A 7 10.789 -9.463 -26.683 1.00 0.00 C ATOM 114 CG2 VAL A 7 10.046 -10.038 -28.994 1.00 0.00 C ATOM 0 H VAL A 7 12.160 -7.680 -29.784 1.00 0.00 H new ATOM 0 HA VAL A 7 9.462 -7.628 -28.697 1.00 0.00 H new ATOM 0 HB VAL A 7 11.980 -9.223 -28.452 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.090 -10.499 -26.527 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.424 -8.807 -26.087 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.750 -9.337 -26.378 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.336 -11.073 -28.812 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.004 -9.898 -28.707 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.164 -9.808 -30.053 1.00 0.00 H new ATOM 124 N THR A 8 11.929 -6.743 -26.671 1.00 0.00 N ATOM 125 CA THR A 8 12.199 -5.919 -25.461 1.00 0.00 C ATOM 126 C THR A 8 12.617 -4.509 -25.886 1.00 0.00 C ATOM 127 O THR A 8 13.103 -3.729 -25.091 1.00 0.00 O ATOM 128 CB THR A 8 13.324 -6.560 -24.644 1.00 0.00 C ATOM 129 OG1 THR A 8 13.827 -5.612 -23.714 1.00 0.00 O ATOM 130 CG2 THR A 8 14.447 -7.008 -25.579 1.00 0.00 C ATOM 0 H THR A 8 12.735 -7.246 -27.042 1.00 0.00 H new ATOM 0 HA THR A 8 11.296 -5.863 -24.853 1.00 0.00 H new ATOM 0 HB THR A 8 12.937 -7.427 -24.108 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.729 -4.709 -24.082 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.247 -7.464 -24.995 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.058 -7.735 -26.292 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.838 -6.145 -26.118 1.00 0.00 H new ATOM 138 N GLY A 9 12.433 -4.175 -27.134 1.00 0.00 N ATOM 139 CA GLY A 9 12.821 -2.815 -27.605 1.00 0.00 C ATOM 140 C GLY A 9 11.862 -1.777 -27.018 1.00 0.00 C ATOM 141 O GLY A 9 11.931 -1.443 -25.852 1.00 0.00 O ATOM 0 H GLY A 9 12.031 -4.784 -27.847 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.844 -2.592 -27.302 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.795 -2.775 -28.694 1.00 0.00 H new ATOM 145 N LYS A 10 10.969 -1.264 -27.819 1.00 0.00 N ATOM 146 CA LYS A 10 10.007 -0.246 -27.308 1.00 0.00 C ATOM 147 C LYS A 10 9.093 -0.889 -26.262 1.00 0.00 C ATOM 148 O LYS A 10 8.615 -0.234 -25.356 1.00 0.00 O ATOM 149 CB LYS A 10 9.162 0.283 -28.468 1.00 0.00 C ATOM 150 CG LYS A 10 10.045 0.462 -29.704 1.00 0.00 C ATOM 151 CD LYS A 10 9.541 1.652 -30.524 1.00 0.00 C ATOM 152 CE LYS A 10 9.808 1.400 -32.009 1.00 0.00 C ATOM 153 NZ LYS A 10 11.264 1.550 -32.285 1.00 0.00 N ATOM 0 H LYS A 10 10.864 -1.505 -28.804 1.00 0.00 H new ATOM 0 HA LYS A 10 10.556 0.578 -26.853 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.350 -0.411 -28.686 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.704 1.234 -28.194 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.080 0.626 -29.404 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.028 -0.444 -30.310 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.474 1.797 -30.355 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.042 2.566 -30.204 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.476 0.399 -32.284 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.238 2.103 -32.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.445 1.379 -33.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.567 2.514 -32.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.798 0.863 -31.716 1.00 0.00 H new ATOM 167 N LEU A 11 8.843 -2.165 -26.379 1.00 0.00 N ATOM 168 CA LEU A 11 7.959 -2.844 -25.391 1.00 0.00 C ATOM 169 C LEU A 11 6.730 -1.973 -25.126 1.00 0.00 C ATOM 170 O LEU A 11 6.452 -1.598 -24.004 1.00 0.00 O ATOM 171 CB LEU A 11 8.724 -3.056 -24.084 1.00 0.00 C ATOM 172 CG LEU A 11 9.793 -4.128 -24.290 1.00 0.00 C ATOM 173 CD1 LEU A 11 11.062 -3.734 -23.536 1.00 0.00 C ATOM 174 CD2 LEU A 11 9.281 -5.467 -23.756 1.00 0.00 C ATOM 0 H LEU A 11 9.213 -2.766 -27.116 1.00 0.00 H new ATOM 0 HA LEU A 11 7.643 -3.809 -25.788 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.187 -2.122 -23.765 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.038 -3.358 -23.293 1.00 0.00 H new ATOM 0 HG LEU A 11 10.015 -4.220 -25.353 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.825 -4.499 -23.683 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.428 -2.779 -23.914 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.840 -3.643 -22.473 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.043 -6.232 -23.903 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.060 -5.374 -22.693 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.375 -5.750 -24.292 1.00 0.00 H new ATOM 186 N ASP A 12 5.993 -1.644 -26.151 1.00 0.00 N ATOM 187 CA ASP A 12 4.784 -0.795 -25.957 1.00 0.00 C ATOM 188 C ASP A 12 5.216 0.613 -25.545 1.00 0.00 C ATOM 189 O ASP A 12 6.102 0.787 -24.731 1.00 0.00 O ATOM 190 CB ASP A 12 3.904 -1.400 -24.862 1.00 0.00 C ATOM 191 CG ASP A 12 2.489 -1.610 -25.404 1.00 0.00 C ATOM 192 OD1 ASP A 12 2.357 -1.804 -26.601 1.00 0.00 O ATOM 193 OD2 ASP A 12 1.561 -1.574 -24.612 1.00 0.00 O ATOM 0 H ASP A 12 6.176 -1.926 -27.114 1.00 0.00 H new ATOM 0 HA ASP A 12 4.219 -0.746 -26.888 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.322 -2.350 -24.528 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.879 -0.740 -23.995 1.00 0.00 H new ATOM 198 N LYS A 13 4.602 1.620 -26.102 1.00 0.00 N ATOM 199 CA LYS A 13 4.983 3.014 -25.742 1.00 0.00 C ATOM 200 C LYS A 13 3.732 3.890 -25.683 1.00 0.00 C ATOM 201 O LYS A 13 2.766 3.660 -26.382 1.00 0.00 O ATOM 202 CB LYS A 13 5.943 3.569 -26.795 1.00 0.00 C ATOM 203 CG LYS A 13 7.292 2.855 -26.683 1.00 0.00 C ATOM 204 CD LYS A 13 8.085 3.443 -25.515 1.00 0.00 C ATOM 205 CE LYS A 13 9.482 2.821 -25.481 1.00 0.00 C ATOM 206 NZ LYS A 13 10.479 3.858 -25.089 1.00 0.00 N ATOM 0 H LYS A 13 3.854 1.538 -26.790 1.00 0.00 H new ATOM 0 HA LYS A 13 5.471 3.014 -24.767 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.527 3.428 -27.792 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.074 4.642 -26.653 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.138 1.787 -26.531 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.853 2.968 -27.611 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.160 4.525 -25.621 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.567 3.250 -24.576 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.506 1.993 -24.773 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.733 2.411 -26.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.429 3.435 -25.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.462 4.635 -25.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.242 4.229 -24.147 1.00 0.00 H new ATOM 220 N THR A 14 3.746 4.892 -24.850 1.00 0.00 N ATOM 221 CA THR A 14 2.566 5.791 -24.735 1.00 0.00 C ATOM 222 C THR A 14 1.299 4.959 -24.549 1.00 0.00 C ATOM 223 O THR A 14 0.363 5.048 -25.320 1.00 0.00 O ATOM 224 CB THR A 14 2.451 6.645 -25.997 1.00 0.00 C ATOM 225 OG1 THR A 14 2.260 5.804 -27.127 1.00 0.00 O ATOM 226 CG2 THR A 14 3.736 7.452 -26.168 1.00 0.00 C ATOM 0 H THR A 14 4.529 5.128 -24.240 1.00 0.00 H new ATOM 0 HA THR A 14 2.690 6.444 -23.871 1.00 0.00 H new ATOM 0 HB THR A 14 1.601 7.321 -25.909 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.939 4.927 -26.831 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.664 8.065 -27.066 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.880 8.096 -25.300 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.583 6.772 -26.260 1.00 0.00 H new ATOM 234 N THR A 15 1.262 4.155 -23.524 1.00 0.00 N ATOM 235 CA THR A 15 0.058 3.319 -23.271 1.00 0.00 C ATOM 236 C THR A 15 0.199 2.637 -21.905 1.00 0.00 C ATOM 237 O THR A 15 1.140 1.901 -21.682 1.00 0.00 O ATOM 238 CB THR A 15 -0.061 2.251 -24.362 1.00 0.00 C ATOM 239 OG1 THR A 15 -0.425 2.868 -25.589 1.00 0.00 O ATOM 240 CG2 THR A 15 -1.128 1.230 -23.965 1.00 0.00 C ATOM 0 H THR A 15 2.017 4.041 -22.848 1.00 0.00 H new ATOM 0 HA THR A 15 -0.833 3.947 -23.280 1.00 0.00 H new ATOM 0 HB THR A 15 0.897 1.744 -24.481 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.499 3.836 -25.459 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.212 0.470 -24.742 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.847 0.757 -23.024 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.087 1.734 -23.845 1.00 0.00 H new ATOM 248 N PRO A 16 -0.737 2.900 -21.024 1.00 0.00 N ATOM 249 CA PRO A 16 -0.730 2.319 -19.671 1.00 0.00 C ATOM 250 C PRO A 16 -1.197 0.862 -19.715 1.00 0.00 C ATOM 251 O PRO A 16 -2.235 0.548 -20.265 1.00 0.00 O ATOM 252 CB PRO A 16 -1.721 3.193 -18.898 1.00 0.00 C ATOM 253 CG PRO A 16 -2.644 3.844 -19.956 1.00 0.00 C ATOM 254 CD PRO A 16 -1.884 3.792 -21.294 1.00 0.00 C ATOM 0 HA PRO A 16 0.259 2.305 -19.214 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.299 2.595 -18.193 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.198 3.953 -18.318 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.590 3.308 -20.027 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.880 4.873 -19.684 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.513 3.402 -22.094 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.553 4.784 -21.603 1.00 0.00 H new ATOM 262 N GLY A 17 -0.436 -0.029 -19.145 1.00 0.00 N ATOM 263 CA GLY A 17 -0.827 -1.466 -19.156 1.00 0.00 C ATOM 264 C GLY A 17 0.439 -2.320 -19.213 1.00 0.00 C ATOM 265 O GLY A 17 1.522 -1.816 -19.428 1.00 0.00 O ATOM 0 H GLY A 17 0.443 0.177 -18.670 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.405 -1.707 -18.264 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.464 -1.677 -20.015 1.00 0.00 H new ATOM 269 N ILE A 18 0.322 -3.604 -19.021 1.00 0.00 N ATOM 270 CA ILE A 18 1.541 -4.458 -19.068 1.00 0.00 C ATOM 271 C ILE A 18 1.368 -5.568 -20.109 1.00 0.00 C ATOM 272 O ILE A 18 0.270 -5.980 -20.427 1.00 0.00 O ATOM 273 CB ILE A 18 1.820 -5.071 -17.674 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.324 -6.519 -17.595 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.110 -4.265 -16.588 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.186 -6.561 -17.809 1.00 0.00 C ATOM 0 H ILE A 18 -0.553 -4.094 -18.836 1.00 0.00 H new ATOM 0 HA ILE A 18 2.391 -3.839 -19.354 1.00 0.00 H new ATOM 0 HB ILE A 18 2.899 -5.047 -17.520 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.824 -7.126 -18.349 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.575 -6.946 -16.624 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.315 -4.708 -15.613 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.472 -3.237 -16.603 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.036 -4.274 -16.772 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.533 -7.593 -17.752 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.679 -5.969 -17.038 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.426 -6.151 -18.790 1.00 0.00 H new ATOM 288 N GLN A 19 2.457 -6.066 -20.614 1.00 0.00 N ATOM 289 CA GLN A 19 2.394 -7.173 -21.610 1.00 0.00 C ATOM 290 C GLN A 19 3.043 -8.402 -20.975 1.00 0.00 C ATOM 291 O GLN A 19 3.812 -8.278 -20.048 1.00 0.00 O ATOM 292 CB GLN A 19 3.158 -6.778 -22.875 1.00 0.00 C ATOM 293 CG GLN A 19 2.339 -5.758 -23.668 1.00 0.00 C ATOM 294 CD GLN A 19 3.237 -5.076 -24.702 1.00 0.00 C ATOM 295 OE1 GLN A 19 4.385 -4.582 -24.326 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 2.890 -4.991 -25.864 1.00 0.00 N flip ATOM 0 H GLN A 19 3.399 -5.752 -20.379 1.00 0.00 H new ATOM 0 HA GLN A 19 1.360 -7.383 -21.885 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.127 -6.355 -22.610 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.351 -7.660 -23.486 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.505 -6.253 -24.165 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.913 -5.015 -22.994 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.993 -5.377 -26.158 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.496 -4.534 -26.545 1.00 0.00 H new ATOM 305 N ILE A 20 2.746 -9.583 -21.442 1.00 0.00 N ATOM 306 CA ILE A 20 3.372 -10.784 -20.813 1.00 0.00 C ATOM 307 C ILE A 20 3.998 -11.669 -21.873 1.00 0.00 C ATOM 308 O ILE A 20 3.557 -11.704 -22.992 1.00 0.00 O ATOM 309 CB ILE A 20 2.311 -11.612 -20.083 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.370 -10.693 -19.308 1.00 0.00 C ATOM 311 CG2 ILE A 20 2.996 -12.575 -19.119 1.00 0.00 C ATOM 312 CD1 ILE A 20 -0.009 -11.344 -19.238 1.00 0.00 C ATOM 0 H ILE A 20 2.110 -9.769 -22.217 1.00 0.00 H new ATOM 0 HA ILE A 20 4.132 -10.436 -20.114 1.00 0.00 H new ATOM 0 HB ILE A 20 1.731 -12.176 -20.814 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.756 -10.518 -18.304 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.304 -9.721 -19.798 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.242 -13.166 -18.598 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.656 -13.239 -19.676 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.579 -12.009 -18.393 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.690 -10.696 -18.686 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.391 -11.496 -20.247 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.068 -12.305 -18.730 1.00 0.00 H new ATOM 324 N TRP A 21 4.993 -12.424 -21.508 1.00 0.00 N ATOM 325 CA TRP A 21 5.613 -13.360 -22.474 1.00 0.00 C ATOM 326 C TRP A 21 5.348 -14.768 -21.948 1.00 0.00 C ATOM 327 O TRP A 21 5.508 -15.033 -20.772 1.00 0.00 O ATOM 328 CB TRP A 21 7.117 -13.109 -22.569 1.00 0.00 C ATOM 329 CG TRP A 21 7.368 -11.905 -23.420 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.836 -11.930 -24.691 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.171 -10.502 -23.083 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.938 -10.628 -25.153 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.539 -9.712 -24.198 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.714 -9.845 -21.928 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.454 -8.318 -24.166 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.627 -8.444 -21.893 1.00 0.00 C ATOM 337 CH2 TRP A 21 6.996 -7.683 -23.010 1.00 0.00 C ATOM 0 H TRP A 21 5.404 -12.431 -20.575 1.00 0.00 H new ATOM 0 HA TRP A 21 5.194 -13.225 -23.471 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.535 -12.958 -21.574 1.00 0.00 H new ATOM 0 HB3 TRP A 21 7.616 -13.979 -22.995 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.088 -12.818 -25.251 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.268 -10.376 -26.085 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.428 -10.422 -21.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.741 -7.736 -25.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.274 -7.950 -21.000 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.926 -6.606 -22.977 1.00 0.00 H new ATOM 348 N ARG A 22 4.898 -15.662 -22.777 1.00 0.00 N ATOM 349 CA ARG A 22 4.578 -17.020 -22.272 1.00 0.00 C ATOM 350 C ARG A 22 5.779 -17.954 -22.357 1.00 0.00 C ATOM 351 O ARG A 22 6.383 -18.139 -23.397 1.00 0.00 O ATOM 352 CB ARG A 22 3.418 -17.605 -23.080 1.00 0.00 C ATOM 353 CG ARG A 22 3.734 -17.514 -24.574 1.00 0.00 C ATOM 354 CD ARG A 22 2.620 -16.744 -25.286 1.00 0.00 C ATOM 355 NE ARG A 22 2.010 -17.608 -26.335 1.00 0.00 N ATOM 356 CZ ARG A 22 1.838 -17.144 -27.543 1.00 0.00 C ATOM 357 NH1 ARG A 22 0.950 -16.215 -27.764 1.00 0.00 N ATOM 358 NH2 ARG A 22 2.555 -17.609 -28.529 1.00 0.00 N ATOM 0 H ARG A 22 4.739 -15.514 -23.774 1.00 0.00 H new ATOM 0 HA ARG A 22 4.299 -16.929 -21.222 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.252 -18.644 -22.796 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.498 -17.063 -22.859 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.690 -17.013 -24.724 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.828 -18.514 -24.998 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.861 -16.435 -24.568 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.021 -15.836 -25.736 1.00 0.00 H new ATOM 0 HE ARG A 22 1.727 -18.562 -26.110 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.390 -15.851 -26.993 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.815 -15.852 -28.708 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.250 -18.335 -28.356 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.420 -17.246 -29.473 1.00 0.00 H new ATOM 372 N ILE A 23 6.086 -18.580 -21.257 1.00 0.00 N ATOM 373 CA ILE A 23 7.197 -19.563 -21.214 1.00 0.00 C ATOM 374 C ILE A 23 6.540 -20.938 -21.307 1.00 0.00 C ATOM 375 O ILE A 23 6.689 -21.776 -20.442 1.00 0.00 O ATOM 376 CB ILE A 23 7.948 -19.422 -19.884 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.464 -17.979 -19.739 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.116 -20.410 -19.827 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.811 -17.811 -20.454 1.00 0.00 C ATOM 0 H ILE A 23 5.602 -18.447 -20.369 1.00 0.00 H new ATOM 0 HA ILE A 23 7.913 -19.411 -22.021 1.00 0.00 H new ATOM 0 HB ILE A 23 7.268 -19.646 -19.062 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.736 -17.283 -20.156 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.573 -17.731 -18.683 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.640 -20.299 -18.878 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.736 -21.428 -19.915 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.804 -20.207 -20.648 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.158 -16.784 -20.339 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.542 -18.492 -20.018 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.691 -18.037 -21.513 1.00 0.00 H new ATOM 391 N GLU A 24 5.768 -21.141 -22.346 1.00 0.00 N ATOM 392 CA GLU A 24 5.032 -22.427 -22.523 1.00 0.00 C ATOM 393 C GLU A 24 5.973 -23.610 -22.314 1.00 0.00 C ATOM 394 O GLU A 24 6.351 -23.915 -21.201 1.00 0.00 O ATOM 395 CB GLU A 24 4.427 -22.475 -23.929 1.00 0.00 C ATOM 396 CG GLU A 24 5.423 -21.893 -24.933 1.00 0.00 C ATOM 397 CD GLU A 24 4.856 -20.602 -25.527 1.00 0.00 C ATOM 398 OE1 GLU A 24 3.646 -20.513 -25.650 1.00 0.00 O ATOM 399 OE2 GLU A 24 5.641 -19.727 -25.849 1.00 0.00 O ATOM 0 H GLU A 24 5.616 -20.459 -23.089 1.00 0.00 H new ATOM 0 HA GLU A 24 4.234 -22.489 -21.783 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.183 -23.503 -24.197 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.496 -21.910 -23.955 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.375 -21.692 -24.442 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.620 -22.615 -25.726 1.00 0.00 H new ATOM 406 N ASN A 25 6.353 -24.292 -23.363 1.00 0.00 N ATOM 407 CA ASN A 25 7.263 -25.450 -23.182 1.00 0.00 C ATOM 408 C ASN A 25 8.382 -25.036 -22.230 1.00 0.00 C ATOM 409 O ASN A 25 8.360 -25.357 -21.063 1.00 0.00 O ATOM 410 CB ASN A 25 7.861 -25.894 -24.528 1.00 0.00 C ATOM 411 CG ASN A 25 7.850 -24.740 -25.538 1.00 0.00 C ATOM 412 OD1 ASN A 25 6.822 -24.413 -26.097 1.00 0.00 O ATOM 413 ND2 ASN A 25 8.966 -24.121 -25.818 1.00 0.00 N ATOM 0 H ASN A 25 6.074 -24.097 -24.324 1.00 0.00 H new ATOM 0 HA ASN A 25 6.703 -26.290 -22.771 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.883 -26.243 -24.379 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.292 -26.735 -24.924 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.972 -23.366 -26.504 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.831 -24.393 -25.351 1.00 0.00 H new ATOM 420 N MET A 26 9.338 -24.301 -22.717 1.00 0.00 N ATOM 421 CA MET A 26 10.455 -23.840 -21.854 1.00 0.00 C ATOM 422 C MET A 26 11.166 -22.690 -22.566 1.00 0.00 C ATOM 423 O MET A 26 12.373 -22.561 -22.509 1.00 0.00 O ATOM 424 CB MET A 26 11.443 -24.995 -21.630 1.00 0.00 C ATOM 425 CG MET A 26 10.833 -26.039 -20.684 1.00 0.00 C ATOM 426 SD MET A 26 10.313 -25.231 -19.151 1.00 0.00 S ATOM 427 CE MET A 26 8.923 -26.326 -18.767 1.00 0.00 C ATOM 0 H MET A 26 9.393 -23.996 -23.689 1.00 0.00 H new ATOM 0 HA MET A 26 10.073 -23.508 -20.888 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.693 -25.460 -22.584 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.373 -24.612 -21.209 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.980 -26.523 -21.160 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.562 -26.819 -20.467 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.073 -25.731 -18.434 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.646 -26.888 -19.659 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.213 -27.019 -17.977 1.00 0.00 H new ATOM 437 N GLU A 27 10.424 -21.856 -23.248 1.00 0.00 N ATOM 438 CA GLU A 27 11.057 -20.719 -23.972 1.00 0.00 C ATOM 439 C GLU A 27 10.168 -19.483 -23.850 1.00 0.00 C ATOM 440 O GLU A 27 8.958 -19.578 -23.820 1.00 0.00 O ATOM 441 CB GLU A 27 11.225 -21.084 -25.449 1.00 0.00 C ATOM 442 CG GLU A 27 12.067 -22.355 -25.569 1.00 0.00 C ATOM 443 CD GLU A 27 11.875 -22.965 -26.959 1.00 0.00 C ATOM 444 OE1 GLU A 27 10.950 -22.559 -27.641 1.00 0.00 O ATOM 445 OE2 GLU A 27 12.659 -23.830 -27.318 1.00 0.00 O ATOM 0 H GLU A 27 9.409 -21.915 -23.333 1.00 0.00 H new ATOM 0 HA GLU A 27 12.034 -20.509 -23.538 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.249 -21.237 -25.910 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.705 -20.265 -25.984 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.119 -22.124 -25.404 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.774 -23.072 -24.802 1.00 0.00 H new ATOM 452 N MET A 28 10.757 -18.324 -23.771 1.00 0.00 N ATOM 453 CA MET A 28 9.946 -17.084 -23.641 1.00 0.00 C ATOM 454 C MET A 28 9.273 -16.751 -24.971 1.00 0.00 C ATOM 455 O MET A 28 9.855 -16.872 -26.031 1.00 0.00 O ATOM 456 CB MET A 28 10.851 -15.926 -23.221 1.00 0.00 C ATOM 457 CG MET A 28 10.013 -14.841 -22.544 1.00 0.00 C ATOM 458 SD MET A 28 10.183 -13.290 -23.462 1.00 0.00 S ATOM 459 CE MET A 28 10.233 -12.184 -22.032 1.00 0.00 C ATOM 0 H MET A 28 11.767 -18.182 -23.791 1.00 0.00 H new ATOM 0 HA MET A 28 9.176 -17.241 -22.886 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.622 -16.283 -22.539 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.361 -15.515 -24.092 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.966 -15.143 -22.509 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.340 -14.704 -21.513 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.713 -11.247 -22.314 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.217 -11.983 -21.691 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.799 -12.654 -21.228 1.00 0.00 H new ATOM 469 N VAL A 29 8.043 -16.332 -24.910 1.00 0.00 N ATOM 470 CA VAL A 29 7.291 -15.982 -26.144 1.00 0.00 C ATOM 471 C VAL A 29 6.498 -14.704 -25.859 1.00 0.00 C ATOM 472 O VAL A 29 6.203 -14.418 -24.724 1.00 0.00 O ATOM 473 CB VAL A 29 6.371 -17.170 -26.484 1.00 0.00 C ATOM 474 CG1 VAL A 29 5.052 -16.723 -27.140 1.00 0.00 C ATOM 475 CG2 VAL A 29 7.113 -18.097 -27.446 1.00 0.00 C ATOM 0 H VAL A 29 7.518 -16.215 -24.043 1.00 0.00 H new ATOM 0 HA VAL A 29 7.944 -15.798 -26.997 1.00 0.00 H new ATOM 0 HB VAL A 29 6.119 -17.677 -25.553 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.440 -17.598 -27.360 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.512 -16.064 -26.460 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.268 -16.190 -28.066 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.476 -18.945 -27.698 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.367 -17.551 -28.355 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.026 -18.457 -26.972 1.00 0.00 H new ATOM 485 N PRO A 30 6.191 -13.965 -26.891 1.00 0.00 N ATOM 486 CA PRO A 30 5.439 -12.701 -26.761 1.00 0.00 C ATOM 487 C PRO A 30 3.939 -12.953 -26.545 1.00 0.00 C ATOM 488 O PRO A 30 3.290 -13.621 -27.326 1.00 0.00 O ATOM 489 CB PRO A 30 5.690 -12.000 -28.099 1.00 0.00 C ATOM 490 CG PRO A 30 6.078 -13.108 -29.108 1.00 0.00 C ATOM 491 CD PRO A 30 6.567 -14.310 -28.277 1.00 0.00 C ATOM 0 HA PRO A 30 5.757 -12.112 -25.901 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.799 -11.467 -28.431 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.487 -11.262 -28.007 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.224 -13.386 -29.725 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.860 -12.760 -29.783 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.093 -15.237 -28.600 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.643 -14.451 -28.375 1.00 0.00 H new ATOM 499 N VAL A 31 3.383 -12.398 -25.496 1.00 0.00 N ATOM 500 CA VAL A 31 1.920 -12.574 -25.227 1.00 0.00 C ATOM 501 C VAL A 31 1.245 -11.198 -25.259 1.00 0.00 C ATOM 502 O VAL A 31 1.273 -10.475 -24.277 1.00 0.00 O ATOM 503 CB VAL A 31 1.682 -13.197 -23.843 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.385 -14.004 -23.863 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.833 -14.124 -23.464 1.00 0.00 C ATOM 0 H VAL A 31 3.881 -11.828 -24.812 1.00 0.00 H new ATOM 0 HA VAL A 31 1.506 -13.236 -25.988 1.00 0.00 H new ATOM 0 HB VAL A 31 1.616 -12.393 -23.110 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.216 -14.446 -22.881 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.448 -13.347 -24.113 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.460 -14.795 -24.609 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.645 -14.555 -22.481 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.914 -14.923 -24.201 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.764 -13.557 -23.440 1.00 0.00 H new ATOM 515 N PRO A 32 0.657 -10.877 -26.384 1.00 0.00 N ATOM 516 CA PRO A 32 -0.041 -9.594 -26.579 1.00 0.00 C ATOM 517 C PRO A 32 -1.416 -9.633 -25.900 1.00 0.00 C ATOM 518 O PRO A 32 -1.631 -10.377 -24.964 1.00 0.00 O ATOM 519 CB PRO A 32 -0.172 -9.488 -28.103 1.00 0.00 C ATOM 520 CG PRO A 32 -0.066 -10.929 -28.654 1.00 0.00 C ATOM 521 CD PRO A 32 0.633 -11.764 -27.567 1.00 0.00 C ATOM 0 HA PRO A 32 0.483 -8.741 -26.147 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.124 -9.036 -28.380 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.613 -8.856 -28.517 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.054 -11.332 -28.877 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.503 -10.948 -29.583 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.089 -12.686 -27.362 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.640 -12.049 -27.871 1.00 0.00 H new ATOM 529 N THR A 33 -2.347 -8.843 -26.361 1.00 0.00 N ATOM 530 CA THR A 33 -3.703 -8.848 -25.735 1.00 0.00 C ATOM 531 C THR A 33 -4.478 -10.074 -26.217 1.00 0.00 C ATOM 532 O THR A 33 -5.636 -10.255 -25.893 1.00 0.00 O ATOM 533 CB THR A 33 -4.484 -7.583 -26.128 1.00 0.00 C ATOM 534 OG1 THR A 33 -5.393 -7.892 -27.175 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.523 -6.493 -26.601 1.00 0.00 C ATOM 0 H THR A 33 -2.230 -8.196 -27.141 1.00 0.00 H new ATOM 0 HA THR A 33 -3.586 -8.874 -24.652 1.00 0.00 H new ATOM 0 HB THR A 33 -5.031 -7.223 -25.257 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.892 -7.086 -27.424 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.089 -5.603 -26.876 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.828 -6.247 -25.798 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.965 -6.850 -27.467 1.00 0.00 H new ATOM 543 N LYS A 34 -3.860 -10.909 -27.002 1.00 0.00 N ATOM 544 CA LYS A 34 -4.574 -12.106 -27.516 1.00 0.00 C ATOM 545 C LYS A 34 -4.911 -13.059 -26.365 1.00 0.00 C ATOM 546 O LYS A 34 -5.938 -13.707 -26.371 1.00 0.00 O ATOM 547 CB LYS A 34 -3.689 -12.830 -28.533 1.00 0.00 C ATOM 548 CG LYS A 34 -4.396 -14.097 -29.016 1.00 0.00 C ATOM 549 CD LYS A 34 -4.173 -14.265 -30.521 1.00 0.00 C ATOM 550 CE LYS A 34 -3.525 -15.624 -30.792 1.00 0.00 C ATOM 551 NZ LYS A 34 -2.577 -15.502 -31.936 1.00 0.00 N ATOM 0 H LYS A 34 -2.892 -10.814 -27.309 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.500 -11.786 -27.994 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.477 -12.175 -29.378 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.731 -13.086 -28.080 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.012 -14.966 -28.482 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.463 -14.035 -28.800 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.123 -14.191 -31.051 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.535 -13.465 -30.897 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.997 -15.971 -29.904 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.291 -16.366 -31.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.136 -16.425 -32.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.093 -15.189 -32.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.840 -14.806 -31.703 1.00 0.00 H new ATOM 565 N SER A 35 -4.056 -13.163 -25.381 1.00 0.00 N ATOM 566 CA SER A 35 -4.346 -14.092 -24.249 1.00 0.00 C ATOM 567 C SER A 35 -3.515 -13.711 -23.020 1.00 0.00 C ATOM 568 O SER A 35 -2.625 -14.433 -22.617 1.00 0.00 O ATOM 569 CB SER A 35 -3.996 -15.519 -24.667 1.00 0.00 C ATOM 570 OG SER A 35 -5.185 -16.208 -25.030 1.00 0.00 O ATOM 0 H SER A 35 -3.177 -12.650 -25.312 1.00 0.00 H new ATOM 0 HA SER A 35 -5.404 -14.023 -23.997 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.300 -15.504 -25.506 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.497 -16.038 -23.848 1.00 0.00 H new ATOM 0 HG SER A 35 -5.760 -15.613 -25.555 1.00 0.00 H new ATOM 576 N TYR A 36 -3.797 -12.589 -22.416 1.00 0.00 N ATOM 577 CA TYR A 36 -3.021 -12.182 -21.212 1.00 0.00 C ATOM 578 C TYR A 36 -3.700 -12.720 -19.949 1.00 0.00 C ATOM 579 O TYR A 36 -3.770 -12.045 -18.941 1.00 0.00 O ATOM 580 CB TYR A 36 -2.945 -10.655 -21.140 1.00 0.00 C ATOM 581 CG TYR A 36 -4.268 -10.036 -21.546 1.00 0.00 C ATOM 582 CD1 TYR A 36 -5.478 -10.532 -21.038 1.00 0.00 C ATOM 583 CD2 TYR A 36 -4.278 -8.954 -22.435 1.00 0.00 C ATOM 584 CE1 TYR A 36 -6.691 -9.946 -21.420 1.00 0.00 C ATOM 585 CE2 TYR A 36 -5.492 -8.370 -22.816 1.00 0.00 C ATOM 586 CZ TYR A 36 -6.698 -8.865 -22.309 1.00 0.00 C ATOM 587 OH TYR A 36 -7.894 -8.289 -22.685 1.00 0.00 O ATOM 0 H TYR A 36 -4.529 -11.939 -22.703 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.014 -12.593 -21.282 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.688 -10.346 -20.127 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.152 -10.294 -21.795 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.474 -11.366 -20.352 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.348 -8.570 -22.827 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.622 -10.328 -21.028 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.497 -7.536 -23.502 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.721 -7.551 -23.305 1.00 0.00 H new ATOM 597 N GLY A 37 -4.209 -13.921 -19.989 1.00 0.00 N ATOM 598 CA GLY A 37 -4.888 -14.475 -18.781 1.00 0.00 C ATOM 599 C GLY A 37 -4.627 -15.979 -18.671 1.00 0.00 C ATOM 600 O GLY A 37 -4.233 -16.473 -17.632 1.00 0.00 O ATOM 0 H GLY A 37 -4.185 -14.540 -20.800 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.525 -13.969 -17.887 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.960 -14.288 -18.840 1.00 0.00 H new ATOM 604 N ASN A 38 -4.850 -16.715 -19.725 1.00 0.00 N ATOM 605 CA ASN A 38 -4.618 -18.186 -19.664 1.00 0.00 C ATOM 606 C ASN A 38 -3.123 -18.476 -19.817 1.00 0.00 C ATOM 607 O ASN A 38 -2.613 -18.588 -20.914 1.00 0.00 O ATOM 608 CB ASN A 38 -5.388 -18.876 -20.792 1.00 0.00 C ATOM 609 CG ASN A 38 -6.683 -18.111 -21.072 1.00 0.00 C ATOM 610 OD1 ASN A 38 -7.534 -18.000 -20.213 1.00 0.00 O ATOM 611 ND2 ASN A 38 -6.868 -17.573 -22.247 1.00 0.00 N ATOM 0 H ASN A 38 -5.182 -16.363 -20.623 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.966 -18.565 -18.703 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.775 -18.916 -21.693 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.615 -19.905 -20.515 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.727 -17.060 -22.443 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.153 -17.666 -22.969 1.00 0.00 H new ATOM 618 N PHE A 39 -2.417 -18.600 -18.726 1.00 0.00 N ATOM 619 CA PHE A 39 -0.956 -18.884 -18.814 1.00 0.00 C ATOM 620 C PHE A 39 -0.610 -20.072 -17.909 1.00 0.00 C ATOM 621 O PHE A 39 -0.964 -20.104 -16.749 1.00 0.00 O ATOM 622 CB PHE A 39 -0.149 -17.652 -18.384 1.00 0.00 C ATOM 623 CG PHE A 39 -0.998 -16.726 -17.547 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.285 -17.044 -16.215 1.00 0.00 C ATOM 625 CD2 PHE A 39 -1.490 -15.541 -18.106 1.00 0.00 C ATOM 626 CE1 PHE A 39 -2.066 -16.175 -15.442 1.00 0.00 C ATOM 627 CE2 PHE A 39 -2.268 -14.673 -17.334 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.557 -14.989 -16.003 1.00 0.00 C ATOM 0 H PHE A 39 -2.788 -18.517 -17.779 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.703 -19.127 -19.846 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.727 -17.965 -17.815 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.215 -17.123 -19.265 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.905 -17.958 -15.783 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.269 -15.297 -19.134 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.289 -16.419 -14.414 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.646 -13.758 -17.766 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.159 -14.319 -15.407 1.00 0.00 H new ATOM 638 N TYR A 40 0.072 -21.050 -18.443 1.00 0.00 N ATOM 639 CA TYR A 40 0.435 -22.253 -17.637 1.00 0.00 C ATOM 640 C TYR A 40 0.823 -21.850 -16.212 1.00 0.00 C ATOM 641 O TYR A 40 1.710 -21.045 -16.002 1.00 0.00 O ATOM 642 CB TYR A 40 1.619 -22.969 -18.294 1.00 0.00 C ATOM 643 CG TYR A 40 1.300 -23.255 -19.741 1.00 0.00 C ATOM 644 CD1 TYR A 40 0.482 -24.339 -20.075 1.00 0.00 C ATOM 645 CD2 TYR A 40 1.820 -22.435 -20.749 1.00 0.00 C ATOM 646 CE1 TYR A 40 0.183 -24.606 -21.415 1.00 0.00 C ATOM 647 CE2 TYR A 40 1.521 -22.701 -22.091 1.00 0.00 C ATOM 648 CZ TYR A 40 0.702 -23.786 -22.424 1.00 0.00 C ATOM 649 OH TYR A 40 0.407 -24.048 -23.746 1.00 0.00 O ATOM 0 H TYR A 40 0.396 -21.067 -19.410 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.429 -22.916 -17.595 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.514 -22.351 -18.224 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.832 -23.899 -17.768 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.080 -24.971 -19.297 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.452 -21.597 -20.492 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.448 -25.444 -21.671 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.922 -22.069 -22.869 1.00 0.00 H new ATOM 0 HH TYR A 40 0.636 -23.268 -24.293 1.00 0.00 H new ATOM 659 N GLU A 41 0.175 -22.419 -15.228 1.00 0.00 N ATOM 660 CA GLU A 41 0.518 -22.083 -13.814 1.00 0.00 C ATOM 661 C GLU A 41 1.752 -22.874 -13.393 1.00 0.00 C ATOM 662 O GLU A 41 2.221 -22.765 -12.279 1.00 0.00 O ATOM 663 CB GLU A 41 -0.647 -22.437 -12.882 1.00 0.00 C ATOM 664 CG GLU A 41 -1.309 -23.737 -13.346 1.00 0.00 C ATOM 665 CD GLU A 41 -2.221 -24.268 -12.239 1.00 0.00 C ATOM 666 OE1 GLU A 41 -3.246 -23.651 -11.996 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.882 -25.284 -11.654 1.00 0.00 O ATOM 0 H GLU A 41 -0.575 -23.100 -15.342 1.00 0.00 H new ATOM 0 HA GLU A 41 0.716 -21.013 -13.745 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.286 -22.548 -11.860 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.378 -21.628 -12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.886 -23.560 -14.254 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.548 -24.478 -13.592 1.00 0.00 H new ATOM 674 N GLY A 42 2.282 -23.673 -14.275 1.00 0.00 N ATOM 675 CA GLY A 42 3.486 -24.466 -13.920 1.00 0.00 C ATOM 676 C GLY A 42 4.594 -24.182 -14.931 1.00 0.00 C ATOM 677 O GLY A 42 5.138 -25.082 -15.539 1.00 0.00 O ATOM 0 H GLY A 42 1.933 -23.810 -15.224 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.821 -24.210 -12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.247 -25.529 -13.915 1.00 0.00 H new ATOM 681 N ASP A 43 4.939 -22.938 -15.111 1.00 0.00 N ATOM 682 CA ASP A 43 6.016 -22.600 -16.079 1.00 0.00 C ATOM 683 C ASP A 43 6.566 -21.200 -15.755 1.00 0.00 C ATOM 684 O ASP A 43 7.003 -20.945 -14.650 1.00 0.00 O ATOM 685 CB ASP A 43 5.453 -22.632 -17.504 1.00 0.00 C ATOM 686 CG ASP A 43 5.080 -24.067 -17.881 1.00 0.00 C ATOM 687 OD1 ASP A 43 3.959 -24.460 -17.600 1.00 0.00 O ATOM 688 OD2 ASP A 43 5.921 -24.747 -18.444 1.00 0.00 O ATOM 0 H ASP A 43 4.521 -22.142 -14.629 1.00 0.00 H new ATOM 0 HA ASP A 43 6.824 -23.328 -16.004 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.576 -21.988 -17.573 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.191 -22.242 -18.205 1.00 0.00 H new ATOM 693 N CYS A 44 6.555 -20.292 -16.700 1.00 0.00 N ATOM 694 CA CYS A 44 7.087 -18.926 -16.427 1.00 0.00 C ATOM 695 C CYS A 44 6.402 -17.914 -17.352 1.00 0.00 C ATOM 696 O CYS A 44 5.915 -18.256 -18.409 1.00 0.00 O ATOM 697 CB CYS A 44 8.595 -18.925 -16.687 1.00 0.00 C ATOM 698 SG CYS A 44 9.424 -19.980 -15.471 1.00 0.00 S ATOM 0 H CYS A 44 6.201 -20.440 -17.645 1.00 0.00 H new ATOM 0 HA CYS A 44 6.890 -18.650 -15.391 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.800 -19.285 -17.695 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.984 -17.908 -16.626 1.00 0.00 H new ATOM 0 HG CYS A 44 8.721 -21.056 -15.279 1.00 0.00 H new ATOM 704 N TYR A 45 6.353 -16.672 -16.958 1.00 0.00 N ATOM 705 CA TYR A 45 5.689 -15.642 -17.806 1.00 0.00 C ATOM 706 C TYR A 45 6.274 -14.268 -17.485 1.00 0.00 C ATOM 707 O TYR A 45 6.130 -13.771 -16.390 1.00 0.00 O ATOM 708 CB TYR A 45 4.193 -15.623 -17.488 1.00 0.00 C ATOM 709 CG TYR A 45 3.499 -16.707 -18.268 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.472 -18.017 -17.777 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.883 -16.402 -19.483 1.00 0.00 C ATOM 712 CE1 TYR A 45 2.829 -19.022 -18.503 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.241 -17.404 -20.211 1.00 0.00 C ATOM 714 CZ TYR A 45 2.212 -18.716 -19.722 1.00 0.00 C ATOM 715 OH TYR A 45 1.576 -19.704 -20.444 1.00 0.00 O ATOM 0 H TYR A 45 6.745 -16.325 -16.083 1.00 0.00 H new ATOM 0 HA TYR A 45 5.848 -15.877 -18.858 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.036 -15.772 -16.420 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.769 -14.651 -17.740 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.948 -18.251 -16.836 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.903 -15.390 -19.860 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.808 -20.033 -18.125 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.766 -17.168 -21.152 1.00 0.00 H new ATOM 0 HH TYR A 45 1.201 -19.320 -21.264 1.00 0.00 H new ATOM 725 N VAL A 46 6.913 -13.632 -18.425 1.00 0.00 N ATOM 726 CA VAL A 46 7.476 -12.284 -18.135 1.00 0.00 C ATOM 727 C VAL A 46 6.335 -11.272 -18.184 1.00 0.00 C ATOM 728 O VAL A 46 5.292 -11.536 -18.737 1.00 0.00 O ATOM 729 CB VAL A 46 8.532 -11.926 -19.183 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.156 -10.574 -18.837 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.620 -13.000 -19.196 1.00 0.00 C ATOM 0 H VAL A 46 7.069 -13.981 -19.371 1.00 0.00 H new ATOM 0 HA VAL A 46 7.946 -12.275 -17.152 1.00 0.00 H new ATOM 0 HB VAL A 46 8.064 -11.869 -20.166 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.908 -10.319 -19.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.381 -9.808 -18.826 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.624 -10.630 -17.854 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.373 -12.746 -19.942 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.088 -13.056 -18.213 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.176 -13.965 -19.442 1.00 0.00 H new ATOM 741 N LEU A 47 6.499 -10.123 -17.599 1.00 0.00 N ATOM 742 CA LEU A 47 5.384 -9.137 -17.626 1.00 0.00 C ATOM 743 C LEU A 47 5.936 -7.714 -17.501 1.00 0.00 C ATOM 744 O LEU A 47 6.357 -7.289 -16.446 1.00 0.00 O ATOM 745 CB LEU A 47 4.432 -9.433 -16.468 1.00 0.00 C ATOM 746 CG LEU A 47 3.325 -8.387 -16.443 1.00 0.00 C ATOM 747 CD1 LEU A 47 2.114 -8.937 -15.697 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.832 -7.137 -15.726 1.00 0.00 C ATOM 0 H LEU A 47 7.343 -9.824 -17.110 1.00 0.00 H new ATOM 0 HA LEU A 47 4.848 -9.218 -18.572 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.004 -10.429 -16.580 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.977 -9.425 -15.524 1.00 0.00 H new ATOM 0 HG LEU A 47 3.038 -8.139 -17.465 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.324 -8.186 -15.681 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.752 -9.833 -16.201 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.399 -9.186 -14.675 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.044 -6.385 -15.705 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.116 -7.393 -14.705 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.698 -6.740 -16.255 1.00 0.00 H new ATOM 760 N LEU A 48 5.930 -6.973 -18.575 1.00 0.00 N ATOM 761 CA LEU A 48 6.454 -5.579 -18.521 1.00 0.00 C ATOM 762 C LEU A 48 5.295 -4.603 -18.311 1.00 0.00 C ATOM 763 O LEU A 48 4.485 -4.383 -19.189 1.00 0.00 O ATOM 764 CB LEU A 48 7.173 -5.254 -19.834 1.00 0.00 C ATOM 765 CG LEU A 48 7.518 -3.764 -19.873 1.00 0.00 C ATOM 766 CD1 LEU A 48 8.175 -3.355 -18.554 1.00 0.00 C ATOM 767 CD2 LEU A 48 8.490 -3.498 -21.025 1.00 0.00 C ATOM 0 H LEU A 48 5.585 -7.272 -19.487 1.00 0.00 H new ATOM 0 HA LEU A 48 7.156 -5.486 -17.692 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.081 -5.851 -19.921 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.539 -5.513 -20.682 1.00 0.00 H new ATOM 0 HG LEU A 48 6.606 -3.185 -20.020 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.420 -2.293 -18.583 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.487 -3.546 -17.730 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.087 -3.934 -18.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.737 -2.437 -21.055 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.400 -4.079 -20.875 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.026 -3.789 -21.967 1.00 0.00 H new ATOM 779 N SER A 49 5.210 -4.019 -17.148 1.00 0.00 N ATOM 780 CA SER A 49 4.108 -3.059 -16.868 1.00 0.00 C ATOM 781 C SER A 49 4.613 -1.637 -17.042 1.00 0.00 C ATOM 782 O SER A 49 5.671 -1.274 -16.571 1.00 0.00 O ATOM 783 CB SER A 49 3.618 -3.249 -15.433 1.00 0.00 C ATOM 784 OG SER A 49 2.414 -2.517 -15.244 1.00 0.00 O ATOM 0 H SER A 49 5.860 -4.167 -16.376 1.00 0.00 H new ATOM 0 HA SER A 49 3.287 -3.241 -17.562 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.449 -4.307 -15.232 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.378 -2.908 -14.730 1.00 0.00 H new ATOM 0 HG SER A 49 2.098 -2.639 -14.325 1.00 0.00 H new ATOM 790 N THR A 50 3.859 -0.833 -17.728 1.00 0.00 N ATOM 791 CA THR A 50 4.281 0.570 -17.958 1.00 0.00 C ATOM 792 C THR A 50 3.206 1.519 -17.409 1.00 0.00 C ATOM 793 O THR A 50 2.023 1.257 -17.509 1.00 0.00 O ATOM 794 CB THR A 50 4.457 0.768 -19.466 1.00 0.00 C ATOM 795 OG1 THR A 50 5.766 0.360 -19.839 1.00 0.00 O ATOM 796 CG2 THR A 50 4.254 2.238 -19.847 1.00 0.00 C ATOM 0 H THR A 50 2.963 -1.089 -18.142 1.00 0.00 H new ATOM 0 HA THR A 50 5.220 0.785 -17.448 1.00 0.00 H new ATOM 0 HB THR A 50 3.713 0.168 -19.989 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.423 0.981 -19.460 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.384 2.356 -20.923 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.248 2.551 -19.566 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.985 2.854 -19.324 1.00 0.00 H new ATOM 804 N ARG A 51 3.610 2.617 -16.830 1.00 0.00 N ATOM 805 CA ARG A 51 2.614 3.579 -16.276 1.00 0.00 C ATOM 806 C ARG A 51 3.101 5.010 -16.511 1.00 0.00 C ATOM 807 O ARG A 51 4.285 5.282 -16.514 1.00 0.00 O ATOM 808 CB ARG A 51 2.453 3.337 -14.773 1.00 0.00 C ATOM 809 CG ARG A 51 1.384 4.280 -14.215 1.00 0.00 C ATOM 810 CD ARG A 51 1.797 4.750 -12.820 1.00 0.00 C ATOM 811 NE ARG A 51 0.637 5.411 -12.156 1.00 0.00 N ATOM 812 CZ ARG A 51 0.638 5.586 -10.863 1.00 0.00 C ATOM 813 NH1 ARG A 51 1.279 6.597 -10.343 1.00 0.00 N ATOM 814 NH2 ARG A 51 0.000 4.751 -10.090 1.00 0.00 N ATOM 0 H ARG A 51 4.586 2.890 -16.717 1.00 0.00 H new ATOM 0 HA ARG A 51 1.655 3.435 -16.773 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.170 2.300 -14.589 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.402 3.504 -14.263 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.259 5.137 -14.877 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.422 3.770 -14.168 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.136 3.903 -12.224 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.634 5.445 -12.891 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.157 5.726 -12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.779 7.249 -10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.280 6.735 -9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.500 3.960 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.001 4.889 -9.079 1.00 0.00 H new ATOM 828 N LYS A 52 2.196 5.931 -16.708 1.00 0.00 N ATOM 829 CA LYS A 52 2.609 7.343 -16.943 1.00 0.00 C ATOM 830 C LYS A 52 2.916 8.018 -15.604 1.00 0.00 C ATOM 831 O LYS A 52 2.534 7.537 -14.555 1.00 0.00 O ATOM 832 CB LYS A 52 1.476 8.096 -17.646 1.00 0.00 C ATOM 833 CG LYS A 52 0.285 8.228 -16.694 1.00 0.00 C ATOM 834 CD LYS A 52 -0.888 7.405 -17.227 1.00 0.00 C ATOM 835 CE LYS A 52 -1.881 8.330 -17.935 1.00 0.00 C ATOM 836 NZ LYS A 52 -2.325 7.699 -19.210 1.00 0.00 N ATOM 0 H LYS A 52 1.189 5.766 -16.716 1.00 0.00 H new ATOM 0 HA LYS A 52 3.501 7.359 -17.569 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.819 9.083 -17.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.177 7.564 -18.549 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.562 7.883 -15.698 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.004 9.275 -16.600 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.527 6.644 -17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.382 6.883 -16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.740 8.519 -17.292 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.415 9.295 -18.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.788 8.413 -19.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.500 7.311 -19.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.997 6.932 -19.003 1.00 0.00 H new ATOM 850 N THR A 53 3.599 9.129 -15.631 1.00 0.00 N ATOM 851 CA THR A 53 3.926 9.835 -14.359 1.00 0.00 C ATOM 852 C THR A 53 4.217 11.308 -14.653 1.00 0.00 C ATOM 853 O THR A 53 3.967 11.795 -15.738 1.00 0.00 O ATOM 854 CB THR A 53 5.156 9.186 -13.717 1.00 0.00 C ATOM 855 OG1 THR A 53 6.064 8.787 -14.733 1.00 0.00 O ATOM 856 CG2 THR A 53 4.726 7.964 -12.904 1.00 0.00 C ATOM 0 H THR A 53 3.945 9.579 -16.478 1.00 0.00 H new ATOM 0 HA THR A 53 3.080 9.763 -13.675 1.00 0.00 H new ATOM 0 HB THR A 53 5.643 9.904 -13.057 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.951 9.364 -15.517 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.602 7.504 -12.448 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.031 8.273 -12.123 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.238 7.244 -13.560 1.00 0.00 H new ATOM 864 N GLY A 54 4.741 12.023 -13.695 1.00 0.00 N ATOM 865 CA GLY A 54 5.043 13.466 -13.919 1.00 0.00 C ATOM 866 C GLY A 54 6.296 13.602 -14.787 1.00 0.00 C ATOM 867 O GLY A 54 6.363 14.434 -15.669 1.00 0.00 O ATOM 0 H GLY A 54 4.973 11.670 -12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.198 13.953 -14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.194 13.968 -12.964 1.00 0.00 H new ATOM 871 N SER A 55 7.291 12.793 -14.544 1.00 0.00 N ATOM 872 CA SER A 55 8.538 12.881 -15.356 1.00 0.00 C ATOM 873 C SER A 55 8.328 12.166 -16.692 1.00 0.00 C ATOM 874 O SER A 55 8.450 12.754 -17.748 1.00 0.00 O ATOM 875 CB SER A 55 9.688 12.219 -14.597 1.00 0.00 C ATOM 876 OG SER A 55 9.856 10.888 -15.065 1.00 0.00 O ATOM 0 H SER A 55 7.294 12.076 -13.819 1.00 0.00 H new ATOM 0 HA SER A 55 8.780 13.928 -15.539 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.608 12.786 -14.741 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.479 12.217 -13.527 1.00 0.00 H new ATOM 0 HG SER A 55 10.594 10.462 -14.581 1.00 0.00 H new ATOM 882 N GLY A 56 8.013 10.902 -16.654 1.00 0.00 N ATOM 883 CA GLY A 56 7.795 10.149 -17.921 1.00 0.00 C ATOM 884 C GLY A 56 6.918 8.928 -17.644 1.00 0.00 C ATOM 885 O GLY A 56 5.868 9.031 -17.042 1.00 0.00 O ATOM 0 H GLY A 56 7.897 10.357 -15.800 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.319 10.792 -18.661 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.751 9.836 -18.339 1.00 0.00 H new ATOM 889 N PHE A 57 7.339 7.772 -18.076 1.00 0.00 N ATOM 890 CA PHE A 57 6.529 6.544 -17.834 1.00 0.00 C ATOM 891 C PHE A 57 7.161 5.739 -16.696 1.00 0.00 C ATOM 892 O PHE A 57 8.052 6.206 -16.014 1.00 0.00 O ATOM 893 CB PHE A 57 6.494 5.695 -19.109 1.00 0.00 C ATOM 894 CG PHE A 57 5.407 6.202 -20.033 1.00 0.00 C ATOM 895 CD1 PHE A 57 4.898 7.500 -19.880 1.00 0.00 C ATOM 896 CD2 PHE A 57 4.910 5.373 -21.045 1.00 0.00 C ATOM 897 CE1 PHE A 57 3.896 7.965 -20.739 1.00 0.00 C ATOM 898 CE2 PHE A 57 3.907 5.840 -21.903 1.00 0.00 C ATOM 899 CZ PHE A 57 3.400 7.137 -21.750 1.00 0.00 C ATOM 0 H PHE A 57 8.209 7.624 -18.587 1.00 0.00 H new ATOM 0 HA PHE A 57 5.512 6.823 -17.560 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.460 5.737 -19.612 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.311 4.650 -18.856 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.280 8.141 -19.099 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.300 4.373 -21.164 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.505 8.965 -20.621 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.524 5.200 -22.684 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.627 7.497 -22.413 1.00 0.00 H new ATOM 909 N SER A 58 6.708 4.536 -16.483 1.00 0.00 N ATOM 910 CA SER A 58 7.283 3.705 -15.390 1.00 0.00 C ATOM 911 C SER A 58 7.187 2.229 -15.774 1.00 0.00 C ATOM 912 O SER A 58 6.121 1.648 -15.780 1.00 0.00 O ATOM 913 CB SER A 58 6.500 3.947 -14.099 1.00 0.00 C ATOM 914 OG SER A 58 6.664 5.301 -13.698 1.00 0.00 O ATOM 0 H SER A 58 5.963 4.092 -17.020 1.00 0.00 H new ATOM 0 HA SER A 58 8.328 3.976 -15.236 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.444 3.727 -14.254 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.854 3.278 -13.315 1.00 0.00 H new ATOM 0 HG SER A 58 6.162 5.460 -12.872 1.00 0.00 H new ATOM 920 N TYR A 59 8.292 1.618 -16.104 1.00 0.00 N ATOM 921 CA TYR A 59 8.253 0.182 -16.495 1.00 0.00 C ATOM 922 C TYR A 59 8.419 -0.698 -15.254 1.00 0.00 C ATOM 923 O TYR A 59 8.936 -0.276 -14.239 1.00 0.00 O ATOM 924 CB TYR A 59 9.380 -0.109 -17.488 1.00 0.00 C ATOM 925 CG TYR A 59 9.297 0.860 -18.642 1.00 0.00 C ATOM 926 CD1 TYR A 59 9.878 2.129 -18.532 1.00 0.00 C ATOM 927 CD2 TYR A 59 8.638 0.492 -19.822 1.00 0.00 C ATOM 928 CE1 TYR A 59 9.800 3.029 -19.601 1.00 0.00 C ATOM 929 CE2 TYR A 59 8.560 1.392 -20.891 1.00 0.00 C ATOM 930 CZ TYR A 59 9.142 2.661 -20.780 1.00 0.00 C ATOM 931 OH TYR A 59 9.066 3.549 -21.835 1.00 0.00 O ATOM 0 H TYR A 59 9.216 2.050 -16.120 1.00 0.00 H new ATOM 0 HA TYR A 59 7.293 -0.038 -16.963 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.347 -0.020 -16.993 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.302 -1.133 -17.853 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.386 2.413 -17.622 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.190 -0.487 -19.907 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.248 4.008 -19.516 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.052 1.108 -21.801 1.00 0.00 H new ATOM 0 HH TYR A 59 8.577 3.135 -22.576 1.00 0.00 H new ATOM 941 N ASN A 60 7.981 -1.923 -15.335 1.00 0.00 N ATOM 942 CA ASN A 60 8.097 -2.852 -14.175 1.00 0.00 C ATOM 943 C ASN A 60 8.113 -4.284 -14.702 1.00 0.00 C ATOM 944 O ASN A 60 7.084 -4.886 -14.914 1.00 0.00 O ATOM 945 CB ASN A 60 6.896 -2.658 -13.249 1.00 0.00 C ATOM 946 CG ASN A 60 7.282 -1.726 -12.098 1.00 0.00 C ATOM 947 OD1 ASN A 60 8.198 -2.010 -11.353 1.00 0.00 O ATOM 948 ND2 ASN A 60 6.616 -0.617 -11.923 1.00 0.00 N ATOM 0 H ASN A 60 7.543 -2.325 -16.164 1.00 0.00 H new ATOM 0 HA ASN A 60 9.013 -2.650 -13.619 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.059 -2.238 -13.806 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.567 -3.620 -12.857 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.865 0.012 -11.160 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.847 -0.380 -12.550 1.00 0.00 H new ATOM 955 N ILE A 61 9.273 -4.827 -14.940 1.00 0.00 N ATOM 956 CA ILE A 61 9.351 -6.213 -15.479 1.00 0.00 C ATOM 957 C ILE A 61 9.183 -7.237 -14.358 1.00 0.00 C ATOM 958 O ILE A 61 9.810 -7.157 -13.319 1.00 0.00 O ATOM 959 CB ILE A 61 10.704 -6.418 -16.157 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.991 -5.238 -17.090 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.673 -7.713 -16.966 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.502 -5.076 -17.259 1.00 0.00 C ATOM 0 H ILE A 61 10.172 -4.371 -14.785 1.00 0.00 H new ATOM 0 HA ILE A 61 8.548 -6.353 -16.203 1.00 0.00 H new ATOM 0 HB ILE A 61 11.486 -6.480 -15.401 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.522 -5.405 -18.060 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.560 -4.324 -16.681 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.638 -7.862 -17.451 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.468 -8.552 -16.302 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.892 -7.650 -17.723 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.706 -4.236 -17.923 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.959 -4.889 -16.287 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.920 -5.987 -17.687 1.00 0.00 H new ATOM 974 N HIS A 62 8.341 -8.208 -14.579 1.00 0.00 N ATOM 975 CA HIS A 62 8.103 -9.263 -13.558 1.00 0.00 C ATOM 976 C HIS A 62 8.477 -10.614 -14.141 1.00 0.00 C ATOM 977 O HIS A 62 8.533 -10.784 -15.344 1.00 0.00 O ATOM 978 CB HIS A 62 6.614 -9.327 -13.231 1.00 0.00 C ATOM 979 CG HIS A 62 6.148 -8.021 -12.657 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.952 -6.795 -13.237 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 5.802 -7.871 -11.324 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 5.491 -5.893 -12.283 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 5.418 -6.593 -11.148 1.00 0.00 N flip ATOM 0 H HIS A 62 7.800 -8.315 -15.437 1.00 0.00 H new ATOM 0 HA HIS A 62 8.693 -9.033 -12.671 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.047 -9.558 -14.133 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.425 -10.132 -12.520 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.119 -6.577 -14.219 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.834 -8.639 -10.565 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.245 -4.852 -12.429 1.00 0.00 H new ATOM 991 N TYR A 63 8.673 -11.598 -13.314 1.00 0.00 N ATOM 992 CA TYR A 63 8.967 -12.934 -13.871 1.00 0.00 C ATOM 993 C TYR A 63 8.171 -13.995 -13.111 1.00 0.00 C ATOM 994 O TYR A 63 8.576 -14.501 -12.082 1.00 0.00 O ATOM 995 CB TYR A 63 10.474 -13.239 -13.863 1.00 0.00 C ATOM 996 CG TYR A 63 11.013 -13.355 -12.457 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.427 -12.211 -11.769 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.128 -14.614 -11.854 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.957 -12.322 -10.479 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.653 -14.725 -10.560 1.00 0.00 C ATOM 1001 CZ TYR A 63 12.069 -13.579 -9.874 1.00 0.00 C ATOM 1002 OH TYR A 63 12.597 -13.691 -8.604 1.00 0.00 O ATOM 0 H TYR A 63 8.643 -11.535 -12.296 1.00 0.00 H new ATOM 0 HA TYR A 63 8.658 -12.948 -14.916 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.660 -14.168 -14.402 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.008 -12.450 -14.393 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.338 -11.240 -12.234 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.812 -15.499 -12.386 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.280 -11.438 -9.950 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.737 -15.695 -10.092 1.00 0.00 H new ATOM 0 HH TYR A 63 13.188 -12.930 -8.427 1.00 0.00 H new ATOM 1012 N TRP A 64 7.026 -14.319 -13.644 1.00 0.00 N ATOM 1013 CA TRP A 64 6.131 -15.339 -13.036 1.00 0.00 C ATOM 1014 C TRP A 64 6.780 -16.705 -13.206 1.00 0.00 C ATOM 1015 O TRP A 64 7.358 -16.991 -14.230 1.00 0.00 O ATOM 1016 CB TRP A 64 4.805 -15.307 -13.797 1.00 0.00 C ATOM 1017 CG TRP A 64 3.696 -15.898 -12.988 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.389 -15.591 -11.706 1.00 0.00 C ATOM 1019 CD2 TRP A 64 2.719 -16.884 -13.414 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.286 -16.337 -11.325 1.00 0.00 N ATOM 1021 CE2 TRP A 64 1.838 -17.146 -12.345 1.00 0.00 C ATOM 1022 CE3 TRP A 64 2.522 -17.567 -14.619 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 0.790 -18.057 -12.468 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 1.469 -18.486 -14.753 1.00 0.00 C ATOM 1025 CH2 TRP A 64 0.603 -18.729 -13.678 1.00 0.00 C ATOM 0 H TRP A 64 6.664 -13.905 -14.503 1.00 0.00 H new ATOM 0 HA TRP A 64 5.963 -15.141 -11.977 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.558 -14.278 -14.058 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.908 -15.857 -14.733 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.916 -14.883 -11.084 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.857 -16.292 -10.400 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.185 -17.386 -15.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.128 -18.242 -11.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.326 -19.008 -15.688 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.208 -19.435 -13.785 1.00 0.00 H new ATOM 1036 N LEU A 65 6.701 -17.554 -12.228 1.00 0.00 N ATOM 1037 CA LEU A 65 7.343 -18.883 -12.389 1.00 0.00 C ATOM 1038 C LEU A 65 6.471 -19.978 -11.835 1.00 0.00 C ATOM 1039 O LEU A 65 6.721 -20.522 -10.782 1.00 0.00 O ATOM 1040 CB LEU A 65 8.659 -18.916 -11.663 1.00 0.00 C ATOM 1041 CG LEU A 65 9.335 -17.578 -11.814 1.00 0.00 C ATOM 1042 CD1 LEU A 65 10.599 -17.627 -11.004 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.672 -17.331 -13.283 1.00 0.00 C ATOM 0 H LEU A 65 6.229 -17.392 -11.338 1.00 0.00 H new ATOM 0 HA LEU A 65 7.495 -19.045 -13.456 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.502 -19.142 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.292 -19.706 -12.067 1.00 0.00 H new ATOM 0 HG LEU A 65 8.684 -16.773 -11.472 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.121 -16.674 -11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.354 -17.818 -9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.240 -18.425 -11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.161 -16.362 -13.386 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.341 -18.114 -13.640 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.756 -17.340 -13.873 1.00 0.00 H new ATOM 1055 N GLY A 66 5.488 -20.322 -12.570 1.00 0.00 N ATOM 1056 CA GLY A 66 4.587 -21.433 -12.146 1.00 0.00 C ATOM 1057 C GLY A 66 5.474 -22.650 -11.887 1.00 0.00 C ATOM 1058 O GLY A 66 5.773 -23.409 -12.788 1.00 0.00 O ATOM 0 H GLY A 66 5.250 -19.888 -13.462 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.034 -21.160 -11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.851 -21.650 -12.920 1.00 0.00 H new ATOM 1062 N LYS A 67 5.937 -22.791 -10.669 1.00 0.00 N ATOM 1063 CA LYS A 67 6.866 -23.898 -10.307 1.00 0.00 C ATOM 1064 C LYS A 67 6.337 -25.258 -10.742 1.00 0.00 C ATOM 1065 O LYS A 67 5.541 -25.890 -10.076 1.00 0.00 O ATOM 1066 CB LYS A 67 7.125 -23.903 -8.797 1.00 0.00 C ATOM 1067 CG LYS A 67 5.817 -23.724 -8.022 1.00 0.00 C ATOM 1068 CD LYS A 67 6.133 -23.467 -6.546 1.00 0.00 C ATOM 1069 CE LYS A 67 7.224 -22.397 -6.428 1.00 0.00 C ATOM 1070 NZ LYS A 67 7.205 -21.815 -5.055 1.00 0.00 N ATOM 0 H LYS A 67 5.702 -22.169 -9.896 1.00 0.00 H new ATOM 0 HA LYS A 67 7.800 -23.719 -10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.599 -24.841 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.818 -23.102 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.248 -22.891 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.197 -24.614 -8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.234 -23.142 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.463 -24.390 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.201 -22.834 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.062 -21.614 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.945 -21.089 -4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.276 -21.384 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.380 -22.566 -4.357 1.00 0.00 H new ATOM 1084 N ASN A 68 6.831 -25.711 -11.847 1.00 0.00 N ATOM 1085 CA ASN A 68 6.452 -27.048 -12.383 1.00 0.00 C ATOM 1086 C ASN A 68 7.537 -27.473 -13.369 1.00 0.00 C ATOM 1087 O ASN A 68 7.963 -28.611 -13.394 1.00 0.00 O ATOM 1088 CB ASN A 68 5.106 -26.975 -13.098 1.00 0.00 C ATOM 1089 CG ASN A 68 3.980 -26.908 -12.065 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.574 -25.837 -11.658 1.00 0.00 O ATOM 1091 ND2 ASN A 68 3.454 -28.015 -11.619 1.00 0.00 N ATOM 0 H ASN A 68 7.501 -25.201 -12.422 1.00 0.00 H new ATOM 0 HA ASN A 68 6.362 -27.767 -11.569 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.073 -26.098 -13.744 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.975 -27.848 -13.738 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.703 -27.981 -10.930 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.794 -28.914 -11.960 1.00 0.00 H new ATOM 1098 N SER A 69 8.002 -26.552 -14.170 1.00 0.00 N ATOM 1099 CA SER A 69 9.078 -26.876 -15.144 1.00 0.00 C ATOM 1100 C SER A 69 10.368 -27.189 -14.378 1.00 0.00 C ATOM 1101 O SER A 69 10.339 -27.770 -13.310 1.00 0.00 O ATOM 1102 CB SER A 69 9.298 -25.673 -16.058 1.00 0.00 C ATOM 1103 OG SER A 69 9.693 -24.557 -15.273 1.00 0.00 O ATOM 0 H SER A 69 7.679 -25.585 -14.190 1.00 0.00 H new ATOM 0 HA SER A 69 8.795 -27.741 -15.744 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.063 -25.900 -16.800 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.383 -25.443 -16.604 1.00 0.00 H new ATOM 0 HG SER A 69 8.942 -23.933 -15.191 1.00 0.00 H new ATOM 1109 N SER A 70 11.500 -26.813 -14.909 1.00 0.00 N ATOM 1110 CA SER A 70 12.783 -27.094 -14.205 1.00 0.00 C ATOM 1111 C SER A 70 13.456 -25.776 -13.808 1.00 0.00 C ATOM 1112 O SER A 70 13.132 -24.717 -14.317 1.00 0.00 O ATOM 1113 CB SER A 70 13.709 -27.880 -15.134 1.00 0.00 C ATOM 1114 OG SER A 70 13.287 -27.703 -16.479 1.00 0.00 O ATOM 0 H SER A 70 11.591 -26.324 -15.799 1.00 0.00 H new ATOM 0 HA SER A 70 12.582 -27.679 -13.307 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.737 -27.538 -15.016 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.693 -28.938 -14.872 1.00 0.00 H new ATOM 0 HG SER A 70 14.071 -27.587 -17.055 1.00 0.00 H new ATOM 1120 N GLN A 71 14.394 -25.833 -12.903 1.00 0.00 N ATOM 1121 CA GLN A 71 15.090 -24.589 -12.474 1.00 0.00 C ATOM 1122 C GLN A 71 15.557 -23.823 -13.712 1.00 0.00 C ATOM 1123 O GLN A 71 15.608 -22.609 -13.720 1.00 0.00 O ATOM 1124 CB GLN A 71 16.300 -24.951 -11.610 1.00 0.00 C ATOM 1125 CG GLN A 71 16.278 -24.119 -10.327 1.00 0.00 C ATOM 1126 CD GLN A 71 17.629 -24.235 -9.618 1.00 0.00 C ATOM 1127 OE1 GLN A 71 18.178 -25.312 -9.506 1.00 0.00 O ATOM 1128 NE2 GLN A 71 18.192 -23.162 -9.132 1.00 0.00 N ATOM 0 H GLN A 71 14.708 -26.687 -12.443 1.00 0.00 H new ATOM 0 HA GLN A 71 14.407 -23.968 -11.894 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.282 -26.014 -11.367 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.222 -24.765 -12.161 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.067 -23.076 -10.562 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.480 -24.466 -9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.731 -22.257 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.093 -23.229 -8.658 1.00 0.00 H new ATOM 1137 N ASP A 72 15.894 -24.522 -14.762 1.00 0.00 N ATOM 1138 CA ASP A 72 16.352 -23.828 -15.997 1.00 0.00 C ATOM 1139 C ASP A 72 15.238 -22.917 -16.501 1.00 0.00 C ATOM 1140 O ASP A 72 15.470 -21.774 -16.837 1.00 0.00 O ATOM 1141 CB ASP A 72 16.703 -24.859 -17.071 1.00 0.00 C ATOM 1142 CG ASP A 72 15.462 -25.687 -17.410 1.00 0.00 C ATOM 1143 OD1 ASP A 72 14.604 -25.172 -18.107 1.00 0.00 O ATOM 1144 OD2 ASP A 72 15.391 -26.820 -16.966 1.00 0.00 O ATOM 0 H ASP A 72 15.872 -25.540 -14.817 1.00 0.00 H new ATOM 0 HA ASP A 72 17.238 -23.233 -15.774 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.073 -24.357 -17.965 1.00 0.00 H new ATOM 0 HB3 ASP A 72 17.502 -25.510 -16.717 1.00 0.00 H new ATOM 1149 N GLU A 73 14.026 -23.400 -16.543 1.00 0.00 N ATOM 1150 CA GLU A 73 12.912 -22.531 -17.008 1.00 0.00 C ATOM 1151 C GLU A 73 12.883 -21.292 -16.124 1.00 0.00 C ATOM 1152 O GLU A 73 12.637 -20.193 -16.580 1.00 0.00 O ATOM 1153 CB GLU A 73 11.582 -23.277 -16.893 1.00 0.00 C ATOM 1154 CG GLU A 73 10.510 -22.531 -17.690 1.00 0.00 C ATOM 1155 CD GLU A 73 9.124 -22.949 -17.197 1.00 0.00 C ATOM 1156 OE1 GLU A 73 8.771 -22.573 -16.092 1.00 0.00 O ATOM 1157 OE2 GLU A 73 8.437 -23.637 -17.934 1.00 0.00 O ATOM 0 H GLU A 73 13.762 -24.349 -16.278 1.00 0.00 H new ATOM 0 HA GLU A 73 13.063 -22.253 -18.051 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.689 -24.294 -17.270 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.285 -23.354 -15.847 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.639 -21.455 -17.575 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.612 -22.752 -18.752 1.00 0.00 H new ATOM 1164 N GLN A 74 13.158 -21.458 -14.859 1.00 0.00 N ATOM 1165 CA GLN A 74 13.171 -20.279 -13.954 1.00 0.00 C ATOM 1166 C GLN A 74 14.263 -19.323 -14.432 1.00 0.00 C ATOM 1167 O GLN A 74 14.118 -18.119 -14.376 1.00 0.00 O ATOM 1168 CB GLN A 74 13.472 -20.726 -12.523 1.00 0.00 C ATOM 1169 CG GLN A 74 12.406 -20.165 -11.580 1.00 0.00 C ATOM 1170 CD GLN A 74 12.875 -20.314 -10.133 1.00 0.00 C ATOM 1171 OE1 GLN A 74 12.136 -20.779 -9.287 1.00 0.00 O ATOM 1172 NE2 GLN A 74 14.082 -19.936 -9.808 1.00 0.00 N ATOM 0 H GLN A 74 13.372 -22.352 -14.418 1.00 0.00 H new ATOM 0 HA GLN A 74 12.200 -19.784 -13.969 1.00 0.00 H new ATOM 0 HB2 GLN A 74 13.487 -21.814 -12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.460 -20.377 -12.222 1.00 0.00 H new ATOM 0 HG2 GLN A 74 12.221 -19.115 -11.807 1.00 0.00 H new ATOM 0 HG3 GLN A 74 11.464 -20.693 -11.724 1.00 0.00 H new ATOM 0 HE21 GLN A 74 14.703 -19.546 -10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 74 14.404 -20.031 -8.845 1.00 0.00 H new ATOM 1181 N GLY A 75 15.355 -19.856 -14.918 1.00 0.00 N ATOM 1182 CA GLY A 75 16.450 -18.981 -15.417 1.00 0.00 C ATOM 1183 C GLY A 75 16.119 -18.528 -16.840 1.00 0.00 C ATOM 1184 O GLY A 75 16.730 -17.625 -17.373 1.00 0.00 O ATOM 0 H GLY A 75 15.532 -20.858 -14.989 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.567 -18.116 -14.764 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.397 -19.520 -15.405 1.00 0.00 H new ATOM 1188 N ALA A 76 15.147 -19.147 -17.457 1.00 0.00 N ATOM 1189 CA ALA A 76 14.771 -18.750 -18.841 1.00 0.00 C ATOM 1190 C ALA A 76 13.946 -17.466 -18.782 1.00 0.00 C ATOM 1191 O ALA A 76 14.250 -16.493 -19.438 1.00 0.00 O ATOM 1192 CB ALA A 76 13.941 -19.862 -19.486 1.00 0.00 C ATOM 0 H ALA A 76 14.599 -19.910 -17.060 1.00 0.00 H new ATOM 0 HA ALA A 76 15.670 -18.584 -19.434 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.666 -19.570 -20.500 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.527 -20.781 -19.519 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.038 -20.029 -18.899 1.00 0.00 H new ATOM 1198 N ALA A 77 12.909 -17.452 -17.993 1.00 0.00 N ATOM 1199 CA ALA A 77 12.076 -16.220 -17.890 1.00 0.00 C ATOM 1200 C ALA A 77 12.812 -15.189 -17.037 1.00 0.00 C ATOM 1201 O ALA A 77 12.791 -14.007 -17.318 1.00 0.00 O ATOM 1202 CB ALA A 77 10.736 -16.557 -17.235 1.00 0.00 C ATOM 0 H ALA A 77 12.602 -18.236 -17.417 1.00 0.00 H new ATOM 0 HA ALA A 77 11.897 -15.816 -18.887 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.130 -15.654 -17.161 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.212 -17.298 -17.839 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.910 -16.960 -16.237 1.00 0.00 H new ATOM 1208 N ALA A 78 13.467 -15.627 -15.997 1.00 0.00 N ATOM 1209 CA ALA A 78 14.208 -14.674 -15.126 1.00 0.00 C ATOM 1210 C ALA A 78 15.336 -14.029 -15.931 1.00 0.00 C ATOM 1211 O ALA A 78 15.603 -12.850 -15.809 1.00 0.00 O ATOM 1212 CB ALA A 78 14.795 -15.425 -13.931 1.00 0.00 C ATOM 0 H ALA A 78 13.521 -16.605 -15.713 1.00 0.00 H new ATOM 0 HA ALA A 78 13.528 -13.901 -14.767 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.338 -14.727 -13.293 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.989 -15.887 -13.360 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.477 -16.197 -14.286 1.00 0.00 H new ATOM 1218 N ILE A 79 16.000 -14.792 -16.757 1.00 0.00 N ATOM 1219 CA ILE A 79 17.108 -14.217 -17.569 1.00 0.00 C ATOM 1220 C ILE A 79 16.522 -13.309 -18.651 1.00 0.00 C ATOM 1221 O ILE A 79 17.011 -12.223 -18.892 1.00 0.00 O ATOM 1222 CB ILE A 79 17.908 -15.346 -18.224 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.751 -16.055 -17.161 1.00 0.00 C ATOM 1224 CG2 ILE A 79 18.832 -14.763 -19.296 1.00 0.00 C ATOM 1225 CD1 ILE A 79 19.308 -17.358 -17.736 1.00 0.00 C ATOM 0 H ILE A 79 15.823 -15.786 -16.904 1.00 0.00 H new ATOM 0 HA ILE A 79 17.769 -13.638 -16.924 1.00 0.00 H new ATOM 0 HB ILE A 79 17.222 -16.058 -18.682 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.568 -15.409 -16.839 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.144 -16.264 -16.280 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.401 -15.567 -19.762 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.235 -14.255 -20.053 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.518 -14.051 -18.837 1.00 0.00 H new ATOM 0 HD11 ILE A 79 19.908 -17.863 -16.979 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.484 -18.005 -18.036 1.00 0.00 H new ATOM 0 HD13 ILE A 79 19.930 -17.136 -18.603 1.00 0.00 H new ATOM 1237 N TYR A 80 15.475 -13.738 -19.304 1.00 0.00 N ATOM 1238 CA TYR A 80 14.867 -12.885 -20.362 1.00 0.00 C ATOM 1239 C TYR A 80 14.461 -11.546 -19.745 1.00 0.00 C ATOM 1240 O TYR A 80 14.557 -10.508 -20.368 1.00 0.00 O ATOM 1241 CB TYR A 80 13.631 -13.579 -20.938 1.00 0.00 C ATOM 1242 CG TYR A 80 14.057 -14.632 -21.936 1.00 0.00 C ATOM 1243 CD1 TYR A 80 15.114 -15.501 -21.638 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.387 -14.742 -23.160 1.00 0.00 C ATOM 1245 CE1 TYR A 80 15.500 -16.477 -22.563 1.00 0.00 C ATOM 1246 CE2 TYR A 80 13.772 -15.719 -24.084 1.00 0.00 C ATOM 1247 CZ TYR A 80 14.830 -16.587 -23.786 1.00 0.00 C ATOM 1248 OH TYR A 80 15.210 -17.550 -24.697 1.00 0.00 O ATOM 0 H TYR A 80 15.018 -14.637 -19.151 1.00 0.00 H new ATOM 0 HA TYR A 80 15.589 -12.721 -21.162 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.052 -14.037 -20.136 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.983 -12.847 -21.421 1.00 0.00 H new ATOM 0 HD1 TYR A 80 15.631 -15.418 -20.694 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.572 -14.072 -23.391 1.00 0.00 H new ATOM 0 HE1 TYR A 80 16.316 -17.146 -22.333 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.253 -15.804 -25.027 1.00 0.00 H new ATOM 0 HH TYR A 80 14.432 -17.826 -25.225 1.00 0.00 H new ATOM 1258 N THR A 81 14.017 -11.564 -18.517 1.00 0.00 N ATOM 1259 CA THR A 81 13.614 -10.296 -17.850 1.00 0.00 C ATOM 1260 C THR A 81 14.858 -9.435 -17.633 1.00 0.00 C ATOM 1261 O THR A 81 14.830 -8.231 -17.787 1.00 0.00 O ATOM 1262 CB THR A 81 12.967 -10.613 -16.499 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.693 -11.204 -16.715 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.802 -9.324 -15.691 1.00 0.00 C ATOM 0 H THR A 81 13.916 -12.404 -17.947 1.00 0.00 H new ATOM 0 HA THR A 81 12.898 -9.760 -18.473 1.00 0.00 H new ATOM 0 HB THR A 81 13.602 -11.305 -15.946 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.805 -12.152 -16.936 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.341 -9.553 -14.730 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.779 -8.871 -15.526 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.168 -8.629 -16.241 1.00 0.00 H new ATOM 1272 N THR A 82 15.956 -10.050 -17.283 1.00 0.00 N ATOM 1273 CA THR A 82 17.208 -9.273 -17.064 1.00 0.00 C ATOM 1274 C THR A 82 17.577 -8.545 -18.358 1.00 0.00 C ATOM 1275 O THR A 82 17.956 -7.390 -18.346 1.00 0.00 O ATOM 1276 CB THR A 82 18.337 -10.232 -16.671 1.00 0.00 C ATOM 1277 OG1 THR A 82 18.146 -10.660 -15.331 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.686 -9.519 -16.794 1.00 0.00 C ATOM 0 H THR A 82 16.039 -11.056 -17.140 1.00 0.00 H new ATOM 0 HA THR A 82 17.059 -8.545 -16.266 1.00 0.00 H new ATOM 0 HB THR A 82 18.326 -11.096 -17.335 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.866 -11.275 -15.078 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.486 -10.204 -16.514 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.832 -9.192 -17.823 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.701 -8.653 -16.132 1.00 0.00 H new ATOM 1286 N GLN A 83 17.464 -9.210 -19.476 1.00 0.00 N ATOM 1287 CA GLN A 83 17.803 -8.555 -20.769 1.00 0.00 C ATOM 1288 C GLN A 83 16.789 -7.446 -21.054 1.00 0.00 C ATOM 1289 O GLN A 83 17.091 -6.468 -21.707 1.00 0.00 O ATOM 1290 CB GLN A 83 17.758 -9.591 -21.895 1.00 0.00 C ATOM 1291 CG GLN A 83 19.121 -10.276 -22.012 1.00 0.00 C ATOM 1292 CD GLN A 83 19.350 -10.713 -23.461 1.00 0.00 C ATOM 1293 OE1 GLN A 83 18.508 -10.505 -24.311 1.00 0.00 O ATOM 1294 NE2 GLN A 83 20.464 -11.314 -23.779 1.00 0.00 N ATOM 0 H GLN A 83 17.152 -10.178 -19.548 1.00 0.00 H new ATOM 0 HA GLN A 83 18.804 -8.129 -20.711 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.983 -10.331 -21.692 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.499 -9.109 -22.838 1.00 0.00 H new ATOM 0 HG2 GLN A 83 19.911 -9.594 -21.698 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.164 -11.140 -21.349 1.00 0.00 H new ATOM 0 HE21 GLN A 83 21.171 -11.489 -23.065 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.628 -11.609 -24.742 1.00 0.00 H new ATOM 1303 N MET A 84 15.588 -7.589 -20.562 1.00 0.00 N ATOM 1304 CA MET A 84 14.558 -6.539 -20.801 1.00 0.00 C ATOM 1305 C MET A 84 15.012 -5.233 -20.152 1.00 0.00 C ATOM 1306 O MET A 84 14.940 -4.175 -20.745 1.00 0.00 O ATOM 1307 CB MET A 84 13.226 -6.981 -20.189 1.00 0.00 C ATOM 1308 CG MET A 84 12.188 -5.874 -20.372 1.00 0.00 C ATOM 1309 SD MET A 84 10.524 -6.583 -20.281 1.00 0.00 S ATOM 1310 CE MET A 84 10.726 -7.808 -21.598 1.00 0.00 C ATOM 0 H MET A 84 15.277 -8.386 -20.006 1.00 0.00 H new ATOM 0 HA MET A 84 14.429 -6.389 -21.873 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.882 -7.899 -20.665 1.00 0.00 H new ATOM 0 HB3 MET A 84 13.356 -7.201 -19.129 1.00 0.00 H new ATOM 0 HG2 MET A 84 12.313 -5.113 -19.602 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.332 -5.381 -21.333 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.776 -7.946 -22.115 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.478 -7.460 -22.306 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.046 -8.757 -21.167 1.00 0.00 H new ATOM 1320 N ASP A 85 15.490 -5.296 -18.938 1.00 0.00 N ATOM 1321 CA ASP A 85 15.955 -4.055 -18.258 1.00 0.00 C ATOM 1322 C ASP A 85 17.094 -3.439 -19.071 1.00 0.00 C ATOM 1323 O ASP A 85 17.455 -2.293 -18.886 1.00 0.00 O ATOM 1324 CB ASP A 85 16.455 -4.398 -16.853 1.00 0.00 C ATOM 1325 CG ASP A 85 16.218 -3.207 -15.922 1.00 0.00 C ATOM 1326 OD1 ASP A 85 16.903 -2.211 -16.082 1.00 0.00 O ATOM 1327 OD2 ASP A 85 15.356 -3.313 -15.066 1.00 0.00 O ATOM 0 H ASP A 85 15.578 -6.152 -18.390 1.00 0.00 H new ATOM 0 HA ASP A 85 15.131 -3.345 -18.182 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.934 -5.278 -16.475 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.516 -4.644 -16.883 1.00 0.00 H new ATOM 1332 N GLU A 86 17.661 -4.192 -19.975 1.00 0.00 N ATOM 1333 CA GLU A 86 18.772 -3.654 -20.809 1.00 0.00 C ATOM 1334 C GLU A 86 18.183 -2.955 -22.035 1.00 0.00 C ATOM 1335 O GLU A 86 18.326 -1.760 -22.209 1.00 0.00 O ATOM 1336 CB GLU A 86 19.677 -4.801 -21.259 1.00 0.00 C ATOM 1337 CG GLU A 86 21.096 -4.570 -20.736 1.00 0.00 C ATOM 1338 CD GLU A 86 21.804 -5.915 -20.568 1.00 0.00 C ATOM 1339 OE1 GLU A 86 21.156 -6.932 -20.758 1.00 0.00 O ATOM 1340 OE2 GLU A 86 22.982 -5.906 -20.252 1.00 0.00 O ATOM 0 H GLU A 86 17.401 -5.159 -20.172 1.00 0.00 H new ATOM 0 HA GLU A 86 19.358 -2.943 -20.226 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.291 -5.750 -20.886 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.686 -4.866 -22.347 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.652 -3.939 -21.429 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.062 -4.043 -19.782 1.00 0.00 H new ATOM 1347 N TYR A 87 17.514 -3.688 -22.883 1.00 0.00 N ATOM 1348 CA TYR A 87 16.909 -3.061 -24.091 1.00 0.00 C ATOM 1349 C TYR A 87 16.029 -1.890 -23.655 1.00 0.00 C ATOM 1350 O TYR A 87 15.724 -1.005 -24.430 1.00 0.00 O ATOM 1351 CB TYR A 87 16.058 -4.095 -24.833 1.00 0.00 C ATOM 1352 CG TYR A 87 16.872 -4.725 -25.937 1.00 0.00 C ATOM 1353 CD1 TYR A 87 16.997 -4.077 -27.172 1.00 0.00 C ATOM 1354 CD2 TYR A 87 17.503 -5.957 -25.724 1.00 0.00 C ATOM 1355 CE1 TYR A 87 17.751 -4.663 -28.195 1.00 0.00 C ATOM 1356 CE2 TYR A 87 18.258 -6.541 -26.749 1.00 0.00 C ATOM 1357 CZ TYR A 87 18.382 -5.894 -27.983 1.00 0.00 C ATOM 1358 OH TYR A 87 19.127 -6.470 -28.993 1.00 0.00 O ATOM 0 H TYR A 87 17.361 -4.692 -22.791 1.00 0.00 H new ATOM 0 HA TYR A 87 17.696 -2.703 -24.755 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.713 -4.862 -24.139 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.170 -3.619 -25.249 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.512 -3.126 -27.335 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.408 -6.456 -24.771 1.00 0.00 H new ATOM 0 HE1 TYR A 87 17.846 -4.165 -29.149 1.00 0.00 H new ATOM 0 HE2 TYR A 87 18.745 -7.491 -26.587 1.00 0.00 H new ATOM 0 HH TYR A 87 19.498 -7.322 -28.681 1.00 0.00 H new ATOM 1368 N LEU A 88 15.620 -1.878 -22.415 1.00 0.00 N ATOM 1369 CA LEU A 88 14.761 -0.766 -21.919 1.00 0.00 C ATOM 1370 C LEU A 88 15.651 0.349 -21.366 1.00 0.00 C ATOM 1371 O LEU A 88 15.658 1.457 -21.865 1.00 0.00 O ATOM 1372 CB LEU A 88 13.844 -1.289 -20.810 1.00 0.00 C ATOM 1373 CG LEU A 88 12.733 -2.138 -21.429 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.839 -2.704 -20.322 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.893 -1.267 -22.364 1.00 0.00 C ATOM 0 H LEU A 88 15.845 -2.593 -21.723 1.00 0.00 H new ATOM 0 HA LEU A 88 14.154 -0.376 -22.736 1.00 0.00 H new ATOM 0 HB2 LEU A 88 14.418 -1.883 -20.099 1.00 0.00 H new ATOM 0 HB3 LEU A 88 13.414 -0.455 -20.255 1.00 0.00 H new ATOM 0 HG LEU A 88 13.176 -2.960 -21.991 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.048 -3.308 -20.766 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.436 -3.323 -19.653 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.395 -1.884 -19.758 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.100 -1.869 -22.807 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.452 -0.446 -21.798 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.527 -0.864 -23.154 1.00 0.00 H new ATOM 1387 N GLY A 89 16.404 0.064 -20.339 1.00 0.00 N ATOM 1388 CA GLY A 89 17.296 1.105 -19.754 1.00 0.00 C ATOM 1389 C GLY A 89 16.465 2.319 -19.337 1.00 0.00 C ATOM 1390 O GLY A 89 16.642 3.409 -19.845 1.00 0.00 O ATOM 0 H GLY A 89 16.440 -0.846 -19.879 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.826 0.701 -18.891 1.00 0.00 H new ATOM 0 HA3 GLY A 89 18.051 1.402 -20.482 1.00 0.00 H new ATOM 1394 N SER A 90 15.560 2.141 -18.415 1.00 0.00 N ATOM 1395 CA SER A 90 14.720 3.282 -17.967 1.00 0.00 C ATOM 1396 C SER A 90 14.460 3.159 -16.466 1.00 0.00 C ATOM 1397 O SER A 90 15.309 2.725 -15.713 1.00 0.00 O ATOM 1398 CB SER A 90 13.394 3.262 -18.731 1.00 0.00 C ATOM 1399 OG SER A 90 12.628 2.141 -18.309 1.00 0.00 O ATOM 0 H SER A 90 15.367 1.252 -17.953 1.00 0.00 H new ATOM 0 HA SER A 90 15.234 4.222 -18.165 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.842 4.184 -18.549 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.579 3.208 -19.804 1.00 0.00 H new ATOM 0 HG SER A 90 11.721 2.209 -18.673 1.00 0.00 H new ATOM 1405 N VAL A 91 13.289 3.518 -16.026 1.00 0.00 N ATOM 1406 CA VAL A 91 12.972 3.400 -14.580 1.00 0.00 C ATOM 1407 C VAL A 91 12.328 2.039 -14.353 1.00 0.00 C ATOM 1408 O VAL A 91 11.710 1.785 -13.339 1.00 0.00 O ATOM 1409 CB VAL A 91 11.999 4.508 -14.172 1.00 0.00 C ATOM 1410 CG1 VAL A 91 12.554 5.864 -14.610 1.00 0.00 C ATOM 1411 CG2 VAL A 91 10.646 4.270 -14.846 1.00 0.00 C ATOM 0 H VAL A 91 12.537 3.889 -16.607 1.00 0.00 H new ATOM 0 HA VAL A 91 13.878 3.497 -13.982 1.00 0.00 H new ATOM 0 HB VAL A 91 11.874 4.500 -13.089 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.860 6.652 -14.319 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.518 6.034 -14.131 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.680 5.873 -15.693 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.951 5.059 -14.556 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.772 4.277 -15.929 1.00 0.00 H new ATOM 0 HG23 VAL A 91 10.249 3.304 -14.534 1.00 0.00 H new ATOM 1421 N ALA A 92 12.468 1.161 -15.309 1.00 0.00 N ATOM 1422 CA ALA A 92 11.868 -0.191 -15.180 1.00 0.00 C ATOM 1423 C ALA A 92 12.296 -0.824 -13.856 1.00 0.00 C ATOM 1424 O ALA A 92 13.116 -0.290 -13.135 1.00 0.00 O ATOM 1425 CB ALA A 92 12.339 -1.054 -16.349 1.00 0.00 C ATOM 0 H ALA A 92 12.976 1.327 -16.178 1.00 0.00 H new ATOM 0 HA ALA A 92 10.781 -0.116 -15.195 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.904 -2.050 -16.264 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.023 -0.599 -17.288 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.426 -1.130 -16.330 1.00 0.00 H new ATOM 1431 N VAL A 93 11.741 -1.958 -13.526 1.00 0.00 N ATOM 1432 CA VAL A 93 12.105 -2.625 -12.245 1.00 0.00 C ATOM 1433 C VAL A 93 12.024 -4.144 -12.418 1.00 0.00 C ATOM 1434 O VAL A 93 11.648 -4.639 -13.459 1.00 0.00 O ATOM 1435 CB VAL A 93 11.121 -2.188 -11.157 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.690 -2.530 -9.781 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.892 -0.679 -11.251 1.00 0.00 C ATOM 0 H VAL A 93 11.050 -2.452 -14.090 1.00 0.00 H new ATOM 0 HA VAL A 93 13.120 -2.346 -11.962 1.00 0.00 H new ATOM 0 HB VAL A 93 10.175 -2.710 -11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.987 -2.218 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.851 -3.606 -9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.638 -2.011 -9.640 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.191 -0.368 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.839 -0.158 -11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.482 -0.434 -12.231 1.00 0.00 H new ATOM 1447 N GLN A 94 12.369 -4.888 -11.404 1.00 0.00 N ATOM 1448 CA GLN A 94 12.299 -6.369 -11.514 1.00 0.00 C ATOM 1449 C GLN A 94 11.422 -6.909 -10.381 1.00 0.00 C ATOM 1450 O GLN A 94 11.526 -6.481 -9.249 1.00 0.00 O ATOM 1451 CB GLN A 94 13.705 -6.962 -11.403 1.00 0.00 C ATOM 1452 CG GLN A 94 14.500 -6.634 -12.668 1.00 0.00 C ATOM 1453 CD GLN A 94 15.979 -6.950 -12.439 1.00 0.00 C ATOM 1454 OE1 GLN A 94 16.309 -7.906 -11.614 1.00 0.00 O flip ATOM 1455 NE2 GLN A 94 16.843 -6.322 -13.017 1.00 0.00 N flip ATOM 0 H GLN A 94 12.696 -4.533 -10.505 1.00 0.00 H new ATOM 0 HA GLN A 94 11.872 -6.647 -12.477 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.213 -6.559 -10.527 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.646 -8.042 -11.268 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.120 -7.213 -13.509 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.378 -5.582 -12.924 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.585 -5.575 -13.662 1.00 0.00 H new ATOM 0 HE22 GLN A 94 17.826 -6.542 -12.858 1.00 0.00 H new ATOM 1464 N HIS A 95 10.551 -7.834 -10.676 1.00 0.00 N ATOM 1465 CA HIS A 95 9.665 -8.384 -9.612 1.00 0.00 C ATOM 1466 C HIS A 95 9.669 -9.911 -9.667 1.00 0.00 C ATOM 1467 O HIS A 95 9.854 -10.503 -10.711 1.00 0.00 O ATOM 1468 CB HIS A 95 8.244 -7.871 -9.833 1.00 0.00 C ATOM 1469 CG HIS A 95 8.299 -6.438 -10.285 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.222 -5.869 -11.531 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.463 -5.385 -9.398 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 8.336 -4.487 -11.424 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.480 -4.248 -10.118 1.00 0.00 N flip ATOM 0 H HIS A 95 10.415 -8.232 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 95 10.029 -8.063 -8.636 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.737 -8.481 -10.580 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.668 -7.952 -8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.559 -5.463 -8.325 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.313 -3.763 -12.225 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.590 -3.317 -9.715 1.00 0.00 H new ATOM 1481 N ARG A 96 9.468 -10.554 -8.549 1.00 0.00 N ATOM 1482 CA ARG A 96 9.462 -12.043 -8.530 1.00 0.00 C ATOM 1483 C ARG A 96 8.036 -12.553 -8.307 1.00 0.00 C ATOM 1484 O ARG A 96 7.387 -12.200 -7.343 1.00 0.00 O ATOM 1485 CB ARG A 96 10.355 -12.534 -7.387 1.00 0.00 C ATOM 1486 CG ARG A 96 10.174 -14.043 -7.205 1.00 0.00 C ATOM 1487 CD ARG A 96 9.760 -14.335 -5.762 1.00 0.00 C ATOM 1488 NE ARG A 96 10.919 -14.097 -4.855 1.00 0.00 N ATOM 1489 CZ ARG A 96 10.716 -13.710 -3.625 1.00 0.00 C ATOM 1490 NH1 ARG A 96 9.723 -14.207 -2.940 1.00 0.00 N ATOM 1491 NH2 ARG A 96 11.506 -12.826 -3.081 1.00 0.00 N ATOM 0 H ARG A 96 9.307 -10.110 -7.645 1.00 0.00 H new ATOM 0 HA ARG A 96 9.835 -12.418 -9.483 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.399 -12.306 -7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.101 -12.013 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.416 -14.415 -7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.103 -14.563 -7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.924 -13.697 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.420 -15.367 -5.672 1.00 0.00 H new ATOM 0 HE ARG A 96 11.870 -14.237 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.105 -14.898 -3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.565 -13.904 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.282 -12.437 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.348 -12.523 -2.120 1.00 0.00 H new ATOM 1505 N GLU A 97 7.544 -13.387 -9.184 1.00 0.00 N ATOM 1506 CA GLU A 97 6.163 -13.917 -9.003 1.00 0.00 C ATOM 1507 C GLU A 97 6.165 -15.436 -9.187 1.00 0.00 C ATOM 1508 O GLU A 97 7.103 -16.010 -9.705 1.00 0.00 O ATOM 1509 CB GLU A 97 5.221 -13.278 -10.019 1.00 0.00 C ATOM 1510 CG GLU A 97 5.348 -11.755 -9.949 1.00 0.00 C ATOM 1511 CD GLU A 97 4.972 -11.275 -8.545 1.00 0.00 C ATOM 1512 OE1 GLU A 97 4.279 -12.006 -7.857 1.00 0.00 O ATOM 1513 OE2 GLU A 97 5.384 -10.186 -8.183 1.00 0.00 O ATOM 0 H GLU A 97 8.036 -13.722 -10.013 1.00 0.00 H new ATOM 0 HA GLU A 97 5.819 -13.675 -7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.462 -13.627 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.193 -13.577 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.368 -11.453 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.697 -11.291 -10.690 1.00 0.00 H new ATOM 1520 N VAL A 98 5.126 -16.091 -8.748 1.00 0.00 N ATOM 1521 CA VAL A 98 5.059 -17.575 -8.866 1.00 0.00 C ATOM 1522 C VAL A 98 3.591 -18.010 -8.850 1.00 0.00 C ATOM 1523 O VAL A 98 2.701 -17.191 -8.798 1.00 0.00 O ATOM 1524 CB VAL A 98 5.782 -18.183 -7.664 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.144 -19.633 -7.957 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.060 -17.389 -7.381 1.00 0.00 C ATOM 0 H VAL A 98 4.314 -15.658 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 98 5.526 -17.907 -9.793 1.00 0.00 H new ATOM 0 HB VAL A 98 5.125 -18.144 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.659 -20.060 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.236 -20.202 -8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.797 -19.676 -8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.575 -17.823 -6.524 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.712 -17.426 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.804 -16.352 -7.164 1.00 0.00 H new ATOM 1536 N GLN A 99 3.325 -19.292 -8.883 1.00 0.00 N ATOM 1537 CA GLN A 99 1.906 -19.757 -8.864 1.00 0.00 C ATOM 1538 C GLN A 99 1.254 -19.413 -7.525 1.00 0.00 C ATOM 1539 O GLN A 99 0.068 -19.593 -7.330 1.00 0.00 O ATOM 1540 CB GLN A 99 1.854 -21.269 -9.090 1.00 0.00 C ATOM 1541 CG GLN A 99 2.384 -21.989 -7.849 1.00 0.00 C ATOM 1542 CD GLN A 99 2.274 -23.502 -8.051 1.00 0.00 C ATOM 1543 OE1 GLN A 99 2.203 -23.975 -9.169 1.00 0.00 O ATOM 1544 NE2 GLN A 99 2.255 -24.286 -7.009 1.00 0.00 N ATOM 0 H GLN A 99 4.025 -20.032 -8.922 1.00 0.00 H new ATOM 0 HA GLN A 99 1.360 -19.253 -9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.830 -21.582 -9.295 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.450 -21.538 -9.962 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.422 -21.710 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.816 -21.687 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.315 -23.889 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.181 -25.296 -7.132 1.00 0.00 H new ATOM 1553 N GLY A 100 2.020 -18.908 -6.614 1.00 0.00 N ATOM 1554 CA GLY A 100 1.472 -18.526 -5.283 1.00 0.00 C ATOM 1555 C GLY A 100 2.080 -17.183 -4.873 1.00 0.00 C ATOM 1556 O GLY A 100 2.027 -16.787 -3.727 1.00 0.00 O ATOM 0 H GLY A 100 3.019 -18.738 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.385 -18.452 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.709 -19.290 -4.543 1.00 0.00 H new ATOM 1560 N HIS A 101 2.666 -16.488 -5.810 1.00 0.00 N ATOM 1561 CA HIS A 101 3.293 -15.175 -5.496 1.00 0.00 C ATOM 1562 C HIS A 101 2.670 -14.084 -6.373 1.00 0.00 C ATOM 1563 O HIS A 101 2.763 -12.909 -6.078 1.00 0.00 O ATOM 1564 CB HIS A 101 4.794 -15.263 -5.786 1.00 0.00 C ATOM 1565 CG HIS A 101 5.519 -15.713 -4.548 1.00 0.00 C ATOM 1566 ND1 HIS A 101 5.716 -14.876 -3.461 1.00 0.00 N ATOM 1567 CD2 HIS A 101 6.103 -16.909 -4.210 1.00 0.00 C ATOM 1568 CE1 HIS A 101 6.392 -15.573 -2.529 1.00 0.00 C ATOM 1569 NE2 HIS A 101 6.653 -16.819 -2.935 1.00 0.00 N ATOM 0 H HIS A 101 2.737 -16.777 -6.786 1.00 0.00 H new ATOM 0 HA HIS A 101 3.129 -14.930 -4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.977 -15.962 -6.602 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.170 -14.292 -6.108 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.131 -17.787 -4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.687 -15.174 -1.570 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.149 -17.547 -2.421 1.00 0.00 H new ATOM 1577 N GLU A 102 2.044 -14.464 -7.454 1.00 0.00 N ATOM 1578 CA GLU A 102 1.422 -13.454 -8.356 1.00 0.00 C ATOM 1579 C GLU A 102 -0.031 -13.204 -7.922 1.00 0.00 C ATOM 1580 O GLU A 102 -0.868 -12.809 -8.706 1.00 0.00 O ATOM 1581 CB GLU A 102 1.492 -13.985 -9.799 1.00 0.00 C ATOM 1582 CG GLU A 102 0.199 -14.724 -10.200 1.00 0.00 C ATOM 1583 CD GLU A 102 -0.214 -15.712 -9.102 1.00 0.00 C ATOM 1584 OE1 GLU A 102 0.442 -16.730 -8.969 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -1.186 -15.435 -8.419 1.00 0.00 O ATOM 0 H GLU A 102 1.937 -15.434 -7.752 1.00 0.00 H new ATOM 0 HA GLU A 102 1.955 -12.505 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.664 -13.155 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.342 -14.660 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.601 -14.004 -10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.353 -15.257 -11.138 1.00 0.00 H new ATOM 1592 N SER A 103 -0.330 -13.463 -6.679 1.00 0.00 N ATOM 1593 CA SER A 103 -1.724 -13.285 -6.169 1.00 0.00 C ATOM 1594 C SER A 103 -2.341 -11.955 -6.639 1.00 0.00 C ATOM 1595 O SER A 103 -2.737 -11.815 -7.781 1.00 0.00 O ATOM 1596 CB SER A 103 -1.705 -13.337 -4.639 1.00 0.00 C ATOM 1597 OG SER A 103 -0.616 -12.561 -4.156 1.00 0.00 O ATOM 0 H SER A 103 0.339 -13.795 -5.984 1.00 0.00 H new ATOM 0 HA SER A 103 -2.340 -14.090 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.644 -12.955 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.610 -14.369 -4.300 1.00 0.00 H new ATOM 0 HG SER A 103 -0.602 -12.591 -3.177 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.467 -10.990 -5.761 1.00 0.00 N ATOM 1604 CA GLU A 104 -3.100 -9.695 -6.152 1.00 0.00 C ATOM 1605 C GLU A 104 -2.182 -8.895 -7.076 1.00 0.00 C ATOM 1606 O GLU A 104 -2.622 -7.996 -7.762 1.00 0.00 O ATOM 1607 CB GLU A 104 -3.387 -8.875 -4.893 1.00 0.00 C ATOM 1608 CG GLU A 104 -4.651 -9.405 -4.214 1.00 0.00 C ATOM 1609 CD GLU A 104 -5.050 -8.469 -3.072 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -4.919 -7.269 -3.244 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -5.479 -8.969 -2.045 1.00 0.00 O ATOM 0 H GLU A 104 -2.158 -11.045 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.027 -9.908 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.542 -8.934 -4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.514 -7.824 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.462 -9.478 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.476 -10.410 -3.830 1.00 0.00 H new ATOM 1618 N THR A 105 -0.915 -9.195 -7.099 1.00 0.00 N ATOM 1619 CA THR A 105 0.005 -8.424 -7.982 1.00 0.00 C ATOM 1620 C THR A 105 -0.290 -8.756 -9.445 1.00 0.00 C ATOM 1621 O THR A 105 -0.472 -7.880 -10.269 1.00 0.00 O ATOM 1622 CB THR A 105 1.455 -8.784 -7.655 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.609 -8.886 -6.246 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.387 -7.699 -8.196 1.00 0.00 C ATOM 0 H THR A 105 -0.478 -9.935 -6.550 1.00 0.00 H new ATOM 0 HA THR A 105 -0.146 -7.357 -7.816 1.00 0.00 H new ATOM 0 HB THR A 105 1.707 -9.738 -8.118 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.537 -9.118 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.420 -7.957 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.268 -7.623 -9.277 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.139 -6.743 -7.735 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.340 -10.012 -9.778 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.625 -10.384 -11.188 1.00 0.00 C ATOM 1634 C PHE A 106 -2.069 -9.990 -11.493 1.00 0.00 C ATOM 1635 O PHE A 106 -2.341 -9.219 -12.388 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.457 -11.893 -11.353 1.00 0.00 C ATOM 1637 CG PHE A 106 0.307 -12.190 -12.624 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.578 -11.634 -12.818 1.00 0.00 C ATOM 1639 CD2 PHE A 106 -0.244 -13.030 -13.599 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.297 -11.916 -13.987 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.477 -13.314 -14.768 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.748 -12.756 -14.961 1.00 0.00 C ATOM 0 H PHE A 106 -0.197 -10.794 -9.139 1.00 0.00 H new ATOM 0 HA PHE A 106 0.058 -9.875 -11.868 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.074 -12.305 -10.495 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.434 -12.375 -11.385 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.004 -10.987 -12.066 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.224 -13.459 -13.451 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.276 -11.484 -14.136 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.053 -13.963 -15.520 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.303 -12.975 -15.861 1.00 0.00 H new ATOM 1652 N ARG A 107 -3.000 -10.499 -10.734 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.423 -10.136 -10.967 1.00 0.00 C ATOM 1654 C ARG A 107 -4.551 -8.613 -10.929 1.00 0.00 C ATOM 1655 O ARG A 107 -5.449 -8.039 -11.514 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.295 -10.752 -9.869 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.772 -10.556 -10.218 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.489 -11.908 -10.184 1.00 0.00 C ATOM 1659 NE ARG A 107 -8.451 -11.931 -9.045 1.00 0.00 N ATOM 1660 CZ ARG A 107 -9.697 -11.598 -9.238 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -10.001 -10.375 -9.578 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -10.641 -12.487 -9.090 1.00 0.00 N ATOM 0 H ARG A 107 -2.836 -11.149 -9.965 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.751 -10.513 -11.936 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.073 -11.814 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.072 -10.286 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.236 -9.869 -9.510 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.866 -10.107 -11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.016 -12.076 -11.123 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.763 -12.714 -10.077 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.135 -12.207 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.264 -9.679 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.976 -10.115 -9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.404 -13.443 -8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.615 -12.226 -9.241 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.650 -7.953 -10.250 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.710 -6.467 -10.180 1.00 0.00 C ATOM 1678 C ALA A 108 -3.575 -5.901 -11.593 1.00 0.00 C ATOM 1679 O ALA A 108 -4.440 -5.201 -12.079 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.570 -5.941 -9.307 1.00 0.00 C ATOM 0 H ALA A 108 -2.876 -8.380 -9.742 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.660 -6.159 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.620 -4.853 -9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.662 -6.352 -8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.614 -6.242 -9.736 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.497 -6.209 -12.262 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.312 -5.697 -13.648 1.00 0.00 C ATOM 1688 C TYR A 109 -3.333 -6.365 -14.573 1.00 0.00 C ATOM 1689 O TYR A 109 -3.470 -6.006 -15.725 1.00 0.00 O ATOM 1690 CB TYR A 109 -0.901 -6.032 -14.139 1.00 0.00 C ATOM 1691 CG TYR A 109 0.119 -5.601 -13.113 1.00 0.00 C ATOM 1692 CD1 TYR A 109 0.083 -4.303 -12.589 1.00 0.00 C ATOM 1693 CD2 TYR A 109 1.106 -6.499 -12.690 1.00 0.00 C ATOM 1694 CE1 TYR A 109 1.035 -3.905 -11.642 1.00 0.00 C ATOM 1695 CE2 TYR A 109 2.056 -6.101 -11.742 1.00 0.00 C ATOM 1696 CZ TYR A 109 2.021 -4.804 -11.218 1.00 0.00 C ATOM 1697 OH TYR A 109 2.957 -4.411 -10.284 1.00 0.00 O ATOM 0 H TYR A 109 -1.738 -6.792 -11.909 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.453 -4.616 -13.654 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.815 -7.103 -14.321 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.709 -5.531 -15.088 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.678 -3.609 -12.915 1.00 0.00 H new ATOM 0 HD2 TYR A 109 1.135 -7.500 -13.095 1.00 0.00 H new ATOM 0 HE1 TYR A 109 1.008 -2.904 -11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.816 -6.795 -11.415 1.00 0.00 H new ATOM 0 HH TYR A 109 3.772 -4.944 -10.394 1.00 0.00 H new ATOM 1707 N PHE A 110 -4.039 -7.348 -14.082 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.034 -8.050 -14.936 1.00 0.00 C ATOM 1709 C PHE A 110 -6.443 -7.774 -14.408 1.00 0.00 C ATOM 1710 O PHE A 110 -6.912 -8.424 -13.495 1.00 0.00 O ATOM 1711 CB PHE A 110 -4.773 -9.559 -14.898 1.00 0.00 C ATOM 1712 CG PHE A 110 -3.422 -9.889 -15.499 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.264 -9.239 -15.051 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -3.325 -10.869 -16.496 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.021 -9.566 -15.593 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -2.077 -11.193 -17.043 1.00 0.00 C ATOM 1717 CZ PHE A 110 -0.925 -10.542 -16.588 1.00 0.00 C ATOM 0 H PHE A 110 -3.968 -7.694 -13.125 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.945 -7.689 -15.961 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.814 -9.913 -13.868 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.557 -10.082 -15.446 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.334 -8.482 -14.284 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.214 -11.375 -16.843 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.131 -9.064 -15.243 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -2.004 -11.945 -17.815 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.038 -10.794 -17.006 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.122 -6.817 -14.975 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.501 -6.504 -14.503 1.00 0.00 C ATOM 1729 C LYS A 111 -9.514 -7.365 -15.262 1.00 0.00 C ATOM 1730 O LYS A 111 -10.385 -6.859 -15.942 1.00 0.00 O ATOM 1731 CB LYS A 111 -8.801 -5.024 -14.753 1.00 0.00 C ATOM 1732 CG LYS A 111 -8.496 -4.219 -13.488 1.00 0.00 C ATOM 1733 CD LYS A 111 -9.752 -3.463 -13.051 1.00 0.00 C ATOM 1734 CE LYS A 111 -10.030 -2.323 -14.034 1.00 0.00 C ATOM 1735 NZ LYS A 111 -9.929 -1.017 -13.322 1.00 0.00 N ATOM 0 H LYS A 111 -6.783 -6.238 -15.744 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.575 -6.717 -13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.200 -4.656 -15.584 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.846 -4.897 -15.034 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.163 -4.885 -12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.683 -3.518 -13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.604 -4.142 -13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.618 -3.065 -12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.317 -2.357 -14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.023 -2.437 -14.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.118 -0.242 -13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.626 -0.987 -12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.972 -0.909 -12.928 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.410 -8.662 -15.152 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.370 -9.550 -15.869 1.00 0.00 C ATOM 1751 C GLN A 112 -10.497 -10.879 -15.119 1.00 0.00 C ATOM 1752 O GLN A 112 -11.366 -11.053 -14.286 1.00 0.00 O ATOM 1753 CB GLN A 112 -9.861 -9.813 -17.288 1.00 0.00 C ATOM 1754 CG GLN A 112 -9.958 -8.530 -18.113 1.00 0.00 C ATOM 1755 CD GLN A 112 -11.427 -8.146 -18.293 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -12.208 -8.917 -19.001 1.00 0.00 O flip ATOM 1757 NE2 GLN A 112 -11.871 -7.136 -17.784 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.703 -9.145 -14.597 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.345 -9.065 -15.916 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.828 -10.160 -17.256 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.448 -10.603 -17.755 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.419 -7.724 -17.615 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.488 -8.675 -19.086 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.262 -6.533 -17.231 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.853 -6.891 -17.910 1.00 0.00 H new ATOM 1766 N GLY A 113 -9.638 -11.817 -15.409 1.00 0.00 N ATOM 1767 CA GLY A 113 -9.704 -13.136 -14.716 1.00 0.00 C ATOM 1768 C GLY A 113 -8.286 -13.603 -14.388 1.00 0.00 C ATOM 1769 O GLY A 113 -7.608 -12.992 -13.593 1.00 0.00 O ATOM 0 H GLY A 113 -8.891 -11.727 -16.098 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.292 -13.051 -13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.204 -13.869 -15.350 1.00 0.00 H new ATOM 1773 N LEU A 114 -7.849 -14.676 -15.015 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.467 -15.230 -14.791 1.00 0.00 C ATOM 1775 C LEU A 114 -6.538 -16.760 -14.800 1.00 0.00 C ATOM 1776 O LEU A 114 -6.665 -17.391 -13.770 1.00 0.00 O ATOM 1777 CB LEU A 114 -5.880 -14.766 -13.440 1.00 0.00 C ATOM 1778 CG LEU A 114 -5.132 -13.409 -13.554 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.648 -13.605 -13.252 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -5.264 -12.799 -14.954 1.00 0.00 C ATOM 0 H LEU A 114 -8.405 -15.203 -15.688 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.820 -14.864 -15.588 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.684 -14.674 -12.710 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.194 -15.526 -13.065 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.586 -12.730 -12.832 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.131 -12.649 -13.334 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.531 -13.995 -12.241 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.222 -14.311 -13.965 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.727 -11.851 -14.990 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.843 -13.483 -15.690 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.317 -12.628 -15.179 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.452 -17.361 -15.958 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.509 -18.850 -16.037 1.00 0.00 C ATOM 1794 C ILE A 115 -5.080 -19.403 -16.051 1.00 0.00 C ATOM 1795 O ILE A 115 -4.120 -18.668 -16.169 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.272 -19.261 -17.318 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -8.708 -19.649 -16.934 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -6.591 -20.453 -18.019 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.329 -20.523 -18.030 1.00 0.00 C ATOM 0 H ILE A 115 -6.345 -16.884 -16.853 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.034 -19.259 -15.174 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.272 -18.418 -18.009 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.706 -20.187 -15.986 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.309 -18.751 -16.790 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.152 -20.717 -18.915 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.573 -20.179 -18.296 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.566 -21.307 -17.342 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.347 -20.792 -17.748 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.347 -19.970 -18.969 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -8.735 -21.429 -18.153 1.00 0.00 H new ATOM 1811 N TYR A 116 -4.934 -20.695 -15.937 1.00 0.00 N ATOM 1812 CA TYR A 116 -3.570 -21.289 -15.952 1.00 0.00 C ATOM 1813 C TYR A 116 -3.638 -22.717 -16.497 1.00 0.00 C ATOM 1814 O TYR A 116 -4.439 -23.522 -16.065 1.00 0.00 O ATOM 1815 CB TYR A 116 -2.994 -21.307 -14.534 1.00 0.00 C ATOM 1816 CG TYR A 116 -3.593 -20.181 -13.723 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -4.834 -20.352 -13.097 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -2.908 -18.966 -13.596 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -5.390 -19.310 -12.346 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -3.464 -17.924 -12.846 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.705 -18.096 -12.220 1.00 0.00 C ATOM 1822 OH TYR A 116 -5.253 -17.067 -11.481 1.00 0.00 O ATOM 0 H TYR A 116 -5.699 -21.362 -15.834 1.00 0.00 H new ATOM 0 HA TYR A 116 -2.925 -20.687 -16.592 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -3.207 -22.264 -14.057 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -1.910 -21.204 -14.571 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.363 -21.289 -13.194 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -1.950 -18.833 -14.077 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.347 -19.443 -11.864 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -2.936 -16.987 -12.750 1.00 0.00 H new ATOM 0 HH TYR A 116 -6.220 -17.033 -11.635 1.00 0.00 H new ATOM 1832 N LYS A 117 -2.805 -23.035 -17.451 1.00 0.00 N ATOM 1833 CA LYS A 117 -2.820 -24.406 -18.034 1.00 0.00 C ATOM 1834 C LYS A 117 -1.682 -25.243 -17.422 1.00 0.00 C ATOM 1835 O LYS A 117 -0.818 -24.730 -16.741 1.00 0.00 O ATOM 1836 CB LYS A 117 -2.639 -24.302 -19.549 1.00 0.00 C ATOM 1837 CG LYS A 117 -3.800 -23.503 -20.147 1.00 0.00 C ATOM 1838 CD LYS A 117 -4.979 -24.436 -20.426 1.00 0.00 C ATOM 1839 CE LYS A 117 -5.712 -24.741 -19.117 1.00 0.00 C ATOM 1840 NZ LYS A 117 -7.182 -24.678 -19.345 1.00 0.00 N ATOM 0 H LYS A 117 -2.113 -22.402 -17.852 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.770 -24.893 -17.813 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.691 -23.816 -19.780 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.603 -25.298 -19.991 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.103 -22.714 -19.459 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.482 -23.017 -21.069 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.662 -23.973 -21.138 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.624 -25.361 -20.880 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.432 -25.729 -18.753 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.421 -24.024 -18.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.680 -24.885 -18.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.442 -23.726 -19.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.452 -25.379 -20.065 1.00 0.00 H new ATOM 1854 N GLN A 118 -1.688 -26.534 -17.635 1.00 0.00 N ATOM 1855 CA GLN A 118 -0.616 -27.397 -17.043 1.00 0.00 C ATOM 1856 C GLN A 118 0.558 -27.581 -18.019 1.00 0.00 C ATOM 1857 O GLN A 118 0.397 -27.533 -19.221 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.206 -28.767 -16.702 1.00 0.00 C ATOM 1859 CG GLN A 118 -1.555 -29.507 -17.995 1.00 0.00 C ATOM 1860 CD GLN A 118 -2.409 -30.734 -17.666 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -3.488 -30.895 -18.200 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -1.970 -31.608 -16.804 1.00 0.00 N ATOM 0 H GLN A 118 -2.385 -27.029 -18.191 1.00 0.00 H new ATOM 0 HA GLN A 118 -0.240 -26.908 -16.144 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.491 -29.348 -16.119 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.098 -28.648 -16.086 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.096 -28.845 -18.671 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.644 -29.812 -18.509 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.064 -31.472 -16.356 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.533 -32.428 -16.577 1.00 0.00 H new ATOM 1871 N GLY A 119 1.735 -27.825 -17.490 1.00 0.00 N ATOM 1872 CA GLY A 119 2.941 -28.053 -18.349 1.00 0.00 C ATOM 1873 C GLY A 119 3.114 -26.922 -19.366 1.00 0.00 C ATOM 1874 O GLY A 119 2.211 -26.150 -19.609 1.00 0.00 O ATOM 0 H GLY A 119 1.912 -27.876 -16.487 1.00 0.00 H new ATOM 0 HA2 GLY A 119 3.830 -28.122 -17.722 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.845 -29.005 -18.872 1.00 0.00 H new ATOM 1878 N GLY A 120 4.274 -26.821 -19.968 1.00 0.00 N ATOM 1879 CA GLY A 120 4.498 -25.744 -20.972 1.00 0.00 C ATOM 1880 C GLY A 120 3.512 -25.913 -22.130 1.00 0.00 C ATOM 1881 O GLY A 120 2.314 -25.946 -21.937 1.00 0.00 O ATOM 0 H GLY A 120 5.071 -27.437 -19.806 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.366 -24.767 -20.508 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.522 -25.785 -21.343 1.00 0.00 H new ATOM 1885 N VAL A 121 4.008 -26.024 -23.333 1.00 0.00 N ATOM 1886 CA VAL A 121 3.100 -26.193 -24.502 1.00 0.00 C ATOM 1887 C VAL A 121 2.861 -27.686 -24.744 1.00 0.00 C ATOM 1888 O VAL A 121 2.348 -28.090 -25.768 1.00 0.00 O ATOM 1889 CB VAL A 121 3.741 -25.513 -25.729 1.00 0.00 C ATOM 1890 CG1 VAL A 121 4.099 -26.534 -26.820 1.00 0.00 C ATOM 1891 CG2 VAL A 121 2.763 -24.486 -26.304 1.00 0.00 C ATOM 0 H VAL A 121 5.003 -26.005 -23.556 1.00 0.00 H new ATOM 0 HA VAL A 121 2.134 -25.725 -24.314 1.00 0.00 H new ATOM 0 HB VAL A 121 4.661 -25.027 -25.404 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.548 -26.018 -27.668 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.807 -27.260 -26.421 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.196 -27.050 -27.146 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.212 -24.002 -27.172 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.843 -24.988 -26.603 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.537 -23.735 -25.547 1.00 0.00 H new