USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 732 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 92 THR OG1 : rot -130:sc= 0.891 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -170:sc= 1.06 (180deg=0) USER MOD Set 2.1: A 79 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.72) USER MOD Set 2.2: A 89 GLN : amide:sc= 0 X(o=-0.36,f=-0.72) USER MOD Set 3.1: A 39 THR OG1 : rot -61:sc= 1.27 USER MOD Set 3.2: A 41 ASN : amide:sc= -0.0459 X(o=1.2,f=1.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -124:sc= 0 (180deg=-1.84!) USER MOD Single : A 21 SER OG : rot -3:sc= 0.735 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.0993 X(o=0.099,f=-0.016) USER MOD Single : A 34 GLN : amide:sc= -3.06! C(o=-3.1!,f=-4.1!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 37 TYR OH : rot 180:sc=-0.00887 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= 0.969 (180deg=0.238) USER MOD Single : A 50 MET CE :methyl -132:sc= -8.13! (180deg=-12.1!) USER MOD Single : A 51 THR OG1 : rot -137:sc= -1.13 USER MOD Single : A 52 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.2) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc=-0.00844 X(o=-0.0084,f=-0.19) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -138:sc= -0.207 (180deg=-1.96!) USER MOD Single : A 65 SER OG : rot -39:sc= 0.181 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 71 ASN : amide:sc=-0.00329 K(o=-0.0033,f=-4.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 162:sc= -0.541! USER MOD Single : A 80 GLN : amide:sc= -2.94! C(o=-2.9!,f=-17!) USER MOD Single : A 83 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.67) USER MOD Single : A 87 THR OG1 : rot -45:sc= 0.651 USER MOD Single : A 88 GLN : amide:sc= -1.34! C(o=-1.3!,f=-3!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 94 THR OG1 : rot 113:sc= 1.26 USER MOD Single : A 96 ASN : amide:sc= -1.77! C(o=-1.8!,f=-9.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 170:sc= -0.873 USER MOD Single : A 103 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.1) USER MOD Single : A 106 ASN : amide:sc= -0.0617 X(o=-0.062,f=-0.41) USER MOD Single : A 111 SER OG : rot -90:sc= 1.15 USER MOD Single : A 113 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -14.360 32.494 14.463 1.00 0.00 N ATOM 2 CA GLY A 17 -14.768 33.633 13.605 1.00 0.00 C ATOM 3 C GLY A 17 -14.918 33.225 12.155 1.00 0.00 C ATOM 4 O GLY A 17 -13.940 33.237 11.400 1.00 0.00 O ATOM 0 HA2 GLY A 17 -15.712 34.039 13.967 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.028 34.429 13.683 1.00 0.00 H new ATOM 10 N SER A 18 -16.141 32.864 11.772 1.00 0.00 N ATOM 11 CA SER A 18 -16.445 32.439 10.409 1.00 0.00 C ATOM 12 C SER A 18 -15.567 31.257 9.994 1.00 0.00 C ATOM 13 O SER A 18 -14.682 31.399 9.147 1.00 0.00 O ATOM 14 CB SER A 18 -16.255 33.606 9.432 1.00 0.00 C ATOM 15 OG SER A 18 -17.063 34.718 9.790 1.00 0.00 O ATOM 0 H SER A 18 -16.947 32.858 12.397 1.00 0.00 H new ATOM 0 HA SER A 18 -17.486 32.118 10.380 1.00 0.00 H new ATOM 0 HB2 SER A 18 -15.207 33.905 9.419 1.00 0.00 H new ATOM 0 HB3 SER A 18 -16.506 33.282 8.422 1.00 0.00 H new ATOM 0 HG SER A 18 -16.919 35.446 9.150 1.00 0.00 H new ATOM 21 N HIS A 19 -15.818 30.091 10.590 1.00 0.00 N ATOM 22 CA HIS A 19 -15.032 28.897 10.292 1.00 0.00 C ATOM 23 C HIS A 19 -15.141 28.555 8.816 1.00 0.00 C ATOM 24 O HIS A 19 -16.227 28.245 8.325 1.00 0.00 O ATOM 25 CB HIS A 19 -15.487 27.705 11.139 1.00 0.00 C ATOM 26 CG HIS A 19 -14.594 26.506 11.014 1.00 0.00 C ATOM 27 ND1 HIS A 19 -14.890 25.417 10.222 1.00 0.00 N ATOM 28 CD2 HIS A 19 -13.400 26.231 11.591 1.00 0.00 C ATOM 29 CE1 HIS A 19 -13.924 24.526 10.323 1.00 0.00 C ATOM 30 NE2 HIS A 19 -13.005 24.995 11.144 1.00 0.00 N ATOM 0 H HIS A 19 -16.557 29.950 11.279 1.00 0.00 H new ATOM 0 HA HIS A 19 -13.992 29.110 10.538 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -15.530 28.008 12.185 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -16.499 27.426 10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.859 26.867 12.276 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.891 23.572 9.818 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -12.142 24.518 11.404 1.00 0.00 H new ATOM 39 N MET A 20 -14.011 28.662 8.119 1.00 0.00 N ATOM 40 CA MET A 20 -13.923 28.432 6.674 1.00 0.00 C ATOM 41 C MET A 20 -14.587 29.573 5.892 1.00 0.00 C ATOM 42 O MET A 20 -14.265 29.800 4.725 1.00 0.00 O ATOM 43 CB MET A 20 -14.530 27.076 6.292 1.00 0.00 C ATOM 44 CG MET A 20 -14.143 26.606 4.899 1.00 0.00 C ATOM 45 SD MET A 20 -14.745 24.947 4.530 1.00 0.00 S ATOM 46 CE MET A 20 -13.931 24.647 2.963 1.00 0.00 C ATOM 0 H MET A 20 -13.119 28.914 8.545 1.00 0.00 H new ATOM 0 HA MET A 20 -12.867 28.412 6.404 1.00 0.00 H new ATOM 0 HB2 MET A 20 -14.214 26.328 7.019 1.00 0.00 H new ATOM 0 HB3 MET A 20 -15.616 27.143 6.355 1.00 0.00 H new ATOM 0 HG2 MET A 20 -14.540 27.304 4.162 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.057 26.624 4.803 1.00 0.00 H new ATOM 0 HE1 MET A 20 -14.676 24.400 2.207 1.00 0.00 H new ATOM 0 HE2 MET A 20 -13.388 25.541 2.658 1.00 0.00 H new ATOM 0 HE3 MET A 20 -13.233 23.817 3.069 1.00 0.00 H new ATOM 56 N SER A 21 -15.512 30.274 6.554 1.00 0.00 N ATOM 57 CA SER A 21 -16.164 31.477 6.026 1.00 0.00 C ATOM 58 C SER A 21 -17.115 31.156 4.872 1.00 0.00 C ATOM 59 O SER A 21 -18.322 31.386 4.969 1.00 0.00 O ATOM 60 CB SER A 21 -15.118 32.510 5.600 1.00 0.00 C ATOM 61 OG SER A 21 -14.237 32.804 6.672 1.00 0.00 O ATOM 0 H SER A 21 -15.834 30.018 7.487 1.00 0.00 H new ATOM 0 HA SER A 21 -16.768 31.901 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.551 32.131 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.614 33.423 5.270 1.00 0.00 H new ATOM 0 HG SER A 21 -14.524 32.319 7.474 1.00 0.00 H new ATOM 67 N THR A 22 -16.575 30.630 3.791 1.00 0.00 N ATOM 68 CA THR A 22 -17.368 30.271 2.636 1.00 0.00 C ATOM 69 C THR A 22 -17.272 28.774 2.375 1.00 0.00 C ATOM 70 O THR A 22 -16.185 28.191 2.420 1.00 0.00 O ATOM 71 CB THR A 22 -16.928 31.065 1.384 1.00 0.00 C ATOM 72 OG1 THR A 22 -17.570 30.549 0.211 1.00 0.00 O ATOM 73 CG2 THR A 22 -15.417 31.024 1.200 1.00 0.00 C ATOM 0 H THR A 22 -15.578 30.441 3.690 1.00 0.00 H new ATOM 0 HA THR A 22 -18.406 30.528 2.847 1.00 0.00 H new ATOM 0 HB THR A 22 -17.227 32.102 1.533 1.00 0.00 H new ATOM 0 HG1 THR A 22 -17.282 31.063 -0.572 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.143 31.592 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.932 31.461 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.093 29.990 1.084 1.00 0.00 H new ATOM 81 N LEU A 23 -18.416 28.152 2.139 1.00 0.00 N ATOM 82 CA LEU A 23 -18.471 26.727 1.856 1.00 0.00 C ATOM 83 C LEU A 23 -18.624 26.487 0.358 1.00 0.00 C ATOM 84 O LEU A 23 -19.738 26.365 -0.150 1.00 0.00 O ATOM 85 CB LEU A 23 -19.636 26.084 2.613 1.00 0.00 C ATOM 86 CG LEU A 23 -19.579 26.225 4.137 1.00 0.00 C ATOM 87 CD1 LEU A 23 -20.813 25.609 4.779 1.00 0.00 C ATOM 88 CD2 LEU A 23 -18.318 25.577 4.688 1.00 0.00 C ATOM 0 H LEU A 23 -19.325 28.615 2.138 1.00 0.00 H new ATOM 0 HA LEU A 23 -17.538 26.271 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.567 26.525 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -19.670 25.024 2.363 1.00 0.00 H new ATOM 0 HG LEU A 23 -19.557 27.287 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -20.753 25.719 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -21.706 26.115 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -20.865 24.550 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.296 25.688 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -18.311 24.518 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -17.442 26.061 4.256 1.00 0.00 H new ATOM 100 N GLU A 24 -17.502 26.437 -0.340 1.00 0.00 N ATOM 101 CA GLU A 24 -17.499 26.223 -1.777 1.00 0.00 C ATOM 102 C GLU A 24 -17.236 24.758 -2.096 1.00 0.00 C ATOM 103 O GLU A 24 -16.157 24.239 -1.805 1.00 0.00 O ATOM 104 CB GLU A 24 -16.435 27.102 -2.441 1.00 0.00 C ATOM 105 CG GLU A 24 -16.718 28.593 -2.334 1.00 0.00 C ATOM 106 CD GLU A 24 -15.559 29.443 -2.811 1.00 0.00 C ATOM 107 OE1 GLU A 24 -15.402 29.614 -4.040 1.00 0.00 O ATOM 108 OE2 GLU A 24 -14.799 29.945 -1.957 1.00 0.00 O ATOM 0 H GLU A 24 -16.574 26.543 0.070 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.479 26.496 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.467 26.892 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -16.358 26.831 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.605 28.833 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.944 28.842 -1.297 1.00 0.00 H new ATOM 115 N ARG A 25 -18.233 24.108 -2.694 1.00 0.00 N ATOM 116 CA ARG A 25 -18.149 22.695 -3.079 1.00 0.00 C ATOM 117 C ARG A 25 -17.768 21.821 -1.886 1.00 0.00 C ATOM 118 O ARG A 25 -16.620 21.393 -1.755 1.00 0.00 O ATOM 119 CB ARG A 25 -17.150 22.479 -4.230 1.00 0.00 C ATOM 120 CG ARG A 25 -17.535 23.164 -5.536 1.00 0.00 C ATOM 121 CD ARG A 25 -17.257 24.655 -5.489 1.00 0.00 C ATOM 122 NE ARG A 25 -17.782 25.362 -6.652 1.00 0.00 N ATOM 123 CZ ARG A 25 -17.442 26.607 -6.971 1.00 0.00 C ATOM 124 NH1 ARG A 25 -16.518 27.246 -6.264 1.00 0.00 N ATOM 125 NH2 ARG A 25 -18.012 27.207 -8.006 1.00 0.00 N ATOM 0 H ARG A 25 -19.125 24.545 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 25 -19.139 22.400 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -16.171 22.843 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -17.049 21.409 -4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.980 22.716 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -18.593 22.997 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.698 25.074 -4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.181 24.818 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.446 24.874 -7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.068 26.782 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.258 28.201 -6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.713 26.714 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -17.750 28.162 -8.249 1.00 0.00 H new ATOM 139 N VAL A 26 -18.739 21.557 -1.022 1.00 0.00 N ATOM 140 CA VAL A 26 -18.516 20.732 0.163 1.00 0.00 C ATOM 141 C VAL A 26 -18.455 19.242 -0.196 1.00 0.00 C ATOM 142 O VAL A 26 -19.221 18.423 0.318 1.00 0.00 O ATOM 143 CB VAL A 26 -19.607 20.981 1.234 1.00 0.00 C ATOM 144 CG1 VAL A 26 -19.456 22.376 1.825 1.00 0.00 C ATOM 145 CG2 VAL A 26 -21.007 20.794 0.653 1.00 0.00 C ATOM 0 H VAL A 26 -19.694 21.903 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 26 -17.552 21.022 0.580 1.00 0.00 H new ATOM 0 HB VAL A 26 -19.476 20.246 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -20.229 22.538 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -18.474 22.471 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -19.557 23.119 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -21.750 20.976 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -21.158 21.497 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -21.113 19.775 0.280 1.00 0.00 H new ATOM 155 N VAL A 27 -17.528 18.900 -1.080 1.00 0.00 N ATOM 156 CA VAL A 27 -17.362 17.533 -1.540 1.00 0.00 C ATOM 157 C VAL A 27 -16.579 16.718 -0.505 1.00 0.00 C ATOM 158 O VAL A 27 -16.080 17.265 0.481 1.00 0.00 O ATOM 159 CB VAL A 27 -16.638 17.505 -2.912 1.00 0.00 C ATOM 160 CG1 VAL A 27 -15.129 17.587 -2.744 1.00 0.00 C ATOM 161 CG2 VAL A 27 -17.032 16.277 -3.720 1.00 0.00 C ATOM 0 H VAL A 27 -16.873 19.562 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 27 -18.348 17.085 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.958 18.386 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.652 17.565 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.869 18.515 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.782 16.740 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.508 16.287 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.763 15.376 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -18.108 16.287 -3.896 1.00 0.00 H new ATOM 171 N TYR A 28 -16.505 15.410 -0.713 1.00 0.00 N ATOM 172 CA TYR A 28 -15.731 14.534 0.156 1.00 0.00 C ATOM 173 C TYR A 28 -14.254 14.912 0.123 1.00 0.00 C ATOM 174 O TYR A 28 -13.714 15.254 -0.929 1.00 0.00 O ATOM 175 CB TYR A 28 -15.913 13.088 -0.285 1.00 0.00 C ATOM 176 CG TYR A 28 -15.484 12.074 0.748 1.00 0.00 C ATOM 177 CD1 TYR A 28 -16.278 11.821 1.857 1.00 0.00 C ATOM 178 CD2 TYR A 28 -14.299 11.364 0.611 1.00 0.00 C ATOM 179 CE1 TYR A 28 -15.903 10.889 2.803 1.00 0.00 C ATOM 180 CE2 TYR A 28 -13.919 10.426 1.551 1.00 0.00 C ATOM 181 CZ TYR A 28 -14.724 10.193 2.645 1.00 0.00 C ATOM 182 OH TYR A 28 -14.356 9.250 3.579 1.00 0.00 O ATOM 0 H TYR A 28 -16.975 14.930 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 28 -16.089 14.647 1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -16.962 12.922 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -15.344 12.923 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -17.204 12.362 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.665 11.548 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -16.530 10.706 3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.996 9.878 1.429 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.500 8.850 3.320 1.00 0.00 H new ATOM 192 N ARG A 29 -13.605 14.850 1.274 1.00 0.00 N ATOM 193 CA ARG A 29 -12.211 15.257 1.384 1.00 0.00 C ATOM 194 C ARG A 29 -11.366 14.152 2.013 1.00 0.00 C ATOM 195 O ARG A 29 -11.377 13.961 3.228 1.00 0.00 O ATOM 196 CB ARG A 29 -12.103 16.545 2.204 1.00 0.00 C ATOM 197 CG ARG A 29 -12.779 17.733 1.539 1.00 0.00 C ATOM 198 CD ARG A 29 -12.809 18.950 2.448 1.00 0.00 C ATOM 199 NE ARG A 29 -13.472 20.088 1.807 1.00 0.00 N ATOM 200 CZ ARG A 29 -14.501 20.753 2.333 1.00 0.00 C ATOM 201 NH1 ARG A 29 -14.983 20.427 3.526 1.00 0.00 N ATOM 202 NH2 ARG A 29 -15.048 21.759 1.661 1.00 0.00 N ATOM 0 H ARG A 29 -14.020 14.522 2.146 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.828 15.443 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.549 16.383 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.051 16.778 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.252 17.981 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.798 17.462 1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.328 18.700 3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.790 19.227 2.719 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.123 20.392 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.566 19.659 4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.771 20.944 3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.681 22.020 0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.835 22.270 2.060 1.00 0.00 H new ATOM 216 N PRO A 30 -10.658 13.377 1.176 1.00 0.00 N ATOM 217 CA PRO A 30 -9.730 12.343 1.640 1.00 0.00 C ATOM 218 C PRO A 30 -8.543 12.938 2.400 1.00 0.00 C ATOM 219 O PRO A 30 -8.084 14.038 2.088 1.00 0.00 O ATOM 220 CB PRO A 30 -9.256 11.678 0.345 1.00 0.00 C ATOM 221 CG PRO A 30 -10.264 12.058 -0.673 1.00 0.00 C ATOM 222 CD PRO A 30 -10.733 13.417 -0.287 1.00 0.00 C ATOM 0 HA PRO A 30 -10.203 11.652 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.262 12.025 0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.196 10.595 0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.829 12.063 -1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.091 11.348 -0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.098 14.199 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.747 13.610 -0.636 1.00 0.00 H new ATOM 230 N ASP A 31 -8.043 12.207 3.387 1.00 0.00 N ATOM 231 CA ASP A 31 -6.963 12.708 4.231 1.00 0.00 C ATOM 232 C ASP A 31 -5.633 12.076 3.866 1.00 0.00 C ATOM 233 O ASP A 31 -4.569 12.663 4.070 1.00 0.00 O ATOM 234 CB ASP A 31 -7.290 12.459 5.705 1.00 0.00 C ATOM 235 CG ASP A 31 -6.181 12.902 6.638 1.00 0.00 C ATOM 236 OD1 ASP A 31 -6.093 14.113 6.937 1.00 0.00 O ATOM 237 OD2 ASP A 31 -5.392 12.038 7.078 1.00 0.00 O ATOM 0 H ASP A 31 -8.365 11.269 3.624 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.873 13.781 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.208 12.988 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.481 11.396 5.855 1.00 0.00 H new ATOM 242 N ILE A 32 -5.717 10.885 3.314 1.00 0.00 N ATOM 243 CA ILE A 32 -4.541 10.117 2.923 1.00 0.00 C ATOM 244 C ILE A 32 -3.636 10.876 1.974 1.00 0.00 C ATOM 245 O ILE A 32 -2.437 11.034 2.219 1.00 0.00 O ATOM 246 CB ILE A 32 -4.944 8.804 2.245 1.00 0.00 C ATOM 247 CG1 ILE A 32 -5.647 7.889 3.233 1.00 0.00 C ATOM 248 CG2 ILE A 32 -3.726 8.119 1.666 1.00 0.00 C ATOM 249 CD1 ILE A 32 -4.735 7.380 4.319 1.00 0.00 C ATOM 0 H ILE A 32 -6.602 10.416 3.121 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.996 9.920 3.846 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.636 9.030 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.479 8.426 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.071 7.041 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.026 7.187 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.258 8.771 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.015 7.904 2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.297 6.732 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.916 6.816 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.331 8.223 4.880 1.00 0.00 H new ATOM 261 N ASN A 33 -4.245 11.278 0.877 1.00 0.00 N ATOM 262 CA ASN A 33 -3.598 12.010 -0.223 1.00 0.00 C ATOM 263 C ASN A 33 -3.021 11.034 -1.244 1.00 0.00 C ATOM 264 O ASN A 33 -3.143 11.238 -2.452 1.00 0.00 O ATOM 265 CB ASN A 33 -2.527 12.996 0.282 1.00 0.00 C ATOM 266 CG ASN A 33 -1.158 12.775 -0.350 1.00 0.00 C ATOM 267 OD1 ASN A 33 -0.863 13.301 -1.424 1.00 0.00 O ATOM 268 ND2 ASN A 33 -0.305 12.015 0.326 1.00 0.00 N ATOM 0 H ASN A 33 -5.236 11.105 0.709 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.363 12.611 -0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.855 14.015 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.439 12.903 1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.632 11.849 -0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.587 11.597 1.213 1.00 0.00 H new ATOM 275 N GLN A 34 -2.425 9.953 -0.755 1.00 0.00 N ATOM 276 CA GLN A 34 -1.902 8.910 -1.627 1.00 0.00 C ATOM 277 C GLN A 34 -2.927 7.805 -1.808 1.00 0.00 C ATOM 278 O GLN A 34 -2.600 6.670 -2.160 1.00 0.00 O ATOM 279 CB GLN A 34 -0.598 8.350 -1.073 1.00 0.00 C ATOM 280 CG GLN A 34 -0.703 7.820 0.349 1.00 0.00 C ATOM 281 CD GLN A 34 0.493 6.994 0.756 1.00 0.00 C ATOM 282 OE1 GLN A 34 0.502 5.778 0.606 1.00 0.00 O ATOM 283 NE2 GLN A 34 1.510 7.655 1.271 1.00 0.00 N ATOM 0 H GLN A 34 -2.292 9.776 0.241 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.696 9.349 -2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.255 7.546 -1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.162 9.131 -1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.811 8.658 1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.605 7.215 0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.458 8.668 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.349 7.154 1.563 1.00 0.00 H new ATOM 292 N GLY A 35 -4.173 8.164 -1.561 1.00 0.00 N ATOM 293 CA GLY A 35 -5.271 7.234 -1.719 1.00 0.00 C ATOM 294 C GLY A 35 -5.473 6.845 -3.168 1.00 0.00 C ATOM 295 O GLY A 35 -6.145 7.551 -3.921 1.00 0.00 O ATOM 0 H GLY A 35 -4.448 9.095 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.079 6.340 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.186 7.682 -1.332 1.00 0.00 H new ATOM 299 N ASN A 36 -4.877 5.730 -3.552 1.00 0.00 N ATOM 300 CA ASN A 36 -4.916 5.251 -4.929 1.00 0.00 C ATOM 301 C ASN A 36 -4.336 3.848 -4.984 1.00 0.00 C ATOM 302 O ASN A 36 -4.847 2.965 -5.672 1.00 0.00 O ATOM 303 CB ASN A 36 -4.114 6.188 -5.841 1.00 0.00 C ATOM 304 CG ASN A 36 -4.089 5.742 -7.283 1.00 0.00 C ATOM 305 OD1 ASN A 36 -5.032 5.131 -7.786 1.00 0.00 O ATOM 306 ND2 ASN A 36 -3.005 6.064 -7.962 1.00 0.00 N ATOM 0 H ASN A 36 -4.351 5.128 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.949 5.234 -5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.540 7.190 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.091 6.255 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.924 5.806 -8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.248 6.571 -7.504 1.00 0.00 H new ATOM 313 N TYR A 37 -3.258 3.661 -4.244 1.00 0.00 N ATOM 314 CA TYR A 37 -2.645 2.359 -4.082 1.00 0.00 C ATOM 315 C TYR A 37 -2.743 1.931 -2.622 1.00 0.00 C ATOM 316 O TYR A 37 -3.510 2.521 -1.857 1.00 0.00 O ATOM 317 CB TYR A 37 -1.189 2.396 -4.562 1.00 0.00 C ATOM 318 CG TYR A 37 -0.491 3.716 -4.310 1.00 0.00 C ATOM 319 CD1 TYR A 37 -0.267 4.175 -3.020 1.00 0.00 C ATOM 320 CD2 TYR A 37 -0.068 4.507 -5.370 1.00 0.00 C ATOM 321 CE1 TYR A 37 0.362 5.384 -2.792 1.00 0.00 C ATOM 322 CE2 TYR A 37 0.562 5.716 -5.151 1.00 0.00 C ATOM 323 CZ TYR A 37 0.773 6.152 -3.861 1.00 0.00 C ATOM 324 OH TYR A 37 1.397 7.359 -3.645 1.00 0.00 O ATOM 0 H TYR A 37 -2.784 4.410 -3.739 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.173 1.625 -4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.633 1.602 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.164 2.181 -5.630 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.590 3.577 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.235 4.171 -6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.531 5.726 -1.782 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.888 6.317 -5.987 1.00 0.00 H new ATOM 0 HH TYR A 37 1.622 7.770 -4.506 1.00 0.00 H new ATOM 334 N LEU A 38 -1.985 0.921 -2.232 1.00 0.00 N ATOM 335 CA LEU A 38 -2.040 0.429 -0.866 1.00 0.00 C ATOM 336 C LEU A 38 -1.315 1.380 0.074 1.00 0.00 C ATOM 337 O LEU A 38 -0.294 1.964 -0.284 1.00 0.00 O ATOM 338 CB LEU A 38 -1.418 -0.958 -0.764 1.00 0.00 C ATOM 339 CG LEU A 38 -1.708 -1.700 0.534 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.904 -2.613 0.350 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.497 -2.482 1.002 1.00 0.00 C ATOM 0 H LEU A 38 -1.328 0.428 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.089 0.368 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.775 -1.562 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.338 -0.865 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.941 -0.967 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.106 -3.141 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.775 -2.020 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.692 -3.336 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.735 -3.001 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.218 -3.211 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.334 -1.798 1.172 1.00 0.00 H new ATOM 353 N THR A 39 -1.864 1.531 1.264 1.00 0.00 N ATOM 354 CA THR A 39 -1.284 2.384 2.286 1.00 0.00 C ATOM 355 C THR A 39 -1.099 1.624 3.596 1.00 0.00 C ATOM 356 O THR A 39 -1.339 0.416 3.660 1.00 0.00 O ATOM 357 CB THR A 39 -2.150 3.631 2.548 1.00 0.00 C ATOM 358 OG1 THR A 39 -3.397 3.253 3.150 1.00 0.00 O ATOM 359 CG2 THR A 39 -2.414 4.372 1.255 1.00 0.00 C ATOM 0 H THR A 39 -2.725 1.066 1.551 1.00 0.00 H new ATOM 0 HA THR A 39 -0.312 2.703 1.910 1.00 0.00 H new ATOM 0 HB THR A 39 -1.608 4.287 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.885 2.657 2.545 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.027 5.250 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.467 4.684 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.938 3.716 0.560 1.00 0.00 H new ATOM 367 N ALA A 40 -0.700 2.337 4.644 1.00 0.00 N ATOM 368 CA ALA A 40 -0.453 1.718 5.946 1.00 0.00 C ATOM 369 C ALA A 40 -1.723 1.100 6.517 1.00 0.00 C ATOM 370 O ALA A 40 -1.696 0.033 7.133 1.00 0.00 O ATOM 371 CB ALA A 40 0.099 2.745 6.913 1.00 0.00 C ATOM 0 H ALA A 40 -0.540 3.344 4.620 1.00 0.00 H new ATOM 0 HA ALA A 40 0.278 0.922 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.280 2.275 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.035 3.145 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.620 3.555 7.033 1.00 0.00 H new ATOM 377 N ASN A 41 -2.835 1.785 6.297 1.00 0.00 N ATOM 378 CA ASN A 41 -4.134 1.340 6.783 1.00 0.00 C ATOM 379 C ASN A 41 -4.509 0.008 6.171 1.00 0.00 C ATOM 380 O ASN A 41 -5.013 -0.891 6.847 1.00 0.00 O ATOM 381 CB ASN A 41 -5.199 2.373 6.434 1.00 0.00 C ATOM 382 CG ASN A 41 -4.943 3.696 7.093 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.326 3.924 8.240 1.00 0.00 O ATOM 384 ND2 ASN A 41 -4.323 4.585 6.355 1.00 0.00 N ATOM 0 H ASN A 41 -2.863 2.663 5.778 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.073 1.225 7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.231 2.508 5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.177 2.001 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.138 5.517 6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.026 4.345 5.409 1.00 0.00 H new ATOM 391 N ASP A 42 -4.249 -0.106 4.885 1.00 0.00 N ATOM 392 CA ASP A 42 -4.556 -1.315 4.139 1.00 0.00 C ATOM 393 C ASP A 42 -3.632 -2.454 4.549 1.00 0.00 C ATOM 394 O ASP A 42 -4.036 -3.610 4.552 1.00 0.00 O ATOM 395 CB ASP A 42 -4.437 -1.060 2.639 1.00 0.00 C ATOM 396 CG ASP A 42 -5.260 0.121 2.171 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.492 -0.029 2.013 1.00 0.00 O ATOM 398 OD2 ASP A 42 -4.674 1.206 1.959 1.00 0.00 O ATOM 0 H ASP A 42 -3.821 0.632 4.327 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.582 -1.602 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.390 -0.889 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.753 -1.952 2.099 1.00 0.00 H new ATOM 403 N VAL A 43 -2.396 -2.127 4.907 1.00 0.00 N ATOM 404 CA VAL A 43 -1.444 -3.131 5.380 1.00 0.00 C ATOM 405 C VAL A 43 -1.979 -3.860 6.615 1.00 0.00 C ATOM 406 O VAL A 43 -1.772 -5.059 6.783 1.00 0.00 O ATOM 407 CB VAL A 43 -0.077 -2.503 5.716 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.818 -3.512 6.410 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.600 -2.010 4.461 1.00 0.00 C ATOM 0 H VAL A 43 -2.028 -1.176 4.880 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.312 -3.846 4.568 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.249 -1.660 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.778 -3.050 6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.345 -3.843 7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.975 -4.370 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.564 -1.570 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.752 -2.845 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.027 -1.258 3.981 1.00 0.00 H new ATOM 419 N SER A 44 -2.684 -3.128 7.464 1.00 0.00 N ATOM 420 CA SER A 44 -3.257 -3.692 8.682 1.00 0.00 C ATOM 421 C SER A 44 -4.277 -4.788 8.368 1.00 0.00 C ATOM 422 O SER A 44 -4.644 -5.576 9.241 1.00 0.00 O ATOM 423 CB SER A 44 -3.914 -2.588 9.496 1.00 0.00 C ATOM 424 OG SER A 44 -4.376 -3.073 10.746 1.00 0.00 O ATOM 0 H SER A 44 -2.875 -2.135 7.332 1.00 0.00 H new ATOM 0 HA SER A 44 -2.450 -4.144 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.201 -1.780 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.749 -2.168 8.935 1.00 0.00 H new ATOM 0 HG SER A 44 -4.792 -2.341 11.247 1.00 0.00 H new ATOM 430 N LYS A 45 -4.729 -4.827 7.121 1.00 0.00 N ATOM 431 CA LYS A 45 -5.705 -5.815 6.682 1.00 0.00 C ATOM 432 C LYS A 45 -5.076 -7.200 6.530 1.00 0.00 C ATOM 433 O LYS A 45 -5.771 -8.210 6.596 1.00 0.00 O ATOM 434 CB LYS A 45 -6.330 -5.384 5.365 1.00 0.00 C ATOM 435 CG LYS A 45 -7.073 -4.061 5.454 1.00 0.00 C ATOM 436 CD LYS A 45 -7.572 -3.622 4.093 1.00 0.00 C ATOM 437 CE LYS A 45 -8.563 -4.622 3.539 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.811 -4.416 2.088 1.00 0.00 N ATOM 0 H LYS A 45 -4.432 -4.180 6.391 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.478 -5.879 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.548 -5.303 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.020 -6.158 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.915 -4.159 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.414 -3.297 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.042 -2.642 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.731 -3.518 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.188 -5.632 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.504 -4.539 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.808 -4.618 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.596 -3.430 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.202 -5.055 1.538 1.00 0.00 H new ATOM 452 N ILE A 46 -3.763 -7.252 6.318 1.00 0.00 N ATOM 453 CA ILE A 46 -3.086 -8.520 6.176 1.00 0.00 C ATOM 454 C ILE A 46 -2.373 -8.934 7.445 1.00 0.00 C ATOM 455 O ILE A 46 -2.320 -8.192 8.428 1.00 0.00 O ATOM 456 CB ILE A 46 -2.064 -8.531 5.028 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.011 -7.434 5.180 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.781 -8.419 3.702 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.161 -7.610 4.241 1.00 0.00 C ATOM 0 H ILE A 46 -3.159 -6.434 6.243 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.881 -9.231 5.950 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.529 -9.480 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.474 -6.465 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.649 -7.425 6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.052 -8.427 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.463 -9.261 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.346 -7.488 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.875 -6.801 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.646 -8.566 4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.193 -7.590 3.210 1.00 0.00 H new ATOM 471 N ARG A 47 -1.815 -10.124 7.388 1.00 0.00 N ATOM 472 CA ARG A 47 -1.134 -10.726 8.516 1.00 0.00 C ATOM 473 C ARG A 47 -0.289 -11.879 8.025 1.00 0.00 C ATOM 474 O ARG A 47 -0.607 -12.512 7.014 1.00 0.00 O ATOM 475 CB ARG A 47 -2.140 -11.226 9.564 1.00 0.00 C ATOM 476 CG ARG A 47 -3.069 -12.328 9.066 1.00 0.00 C ATOM 477 CD ARG A 47 -4.240 -11.774 8.267 1.00 0.00 C ATOM 478 NE ARG A 47 -5.095 -10.899 9.072 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.326 -10.533 8.717 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.871 -11.029 7.611 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.022 -9.693 9.478 1.00 0.00 N ATOM 0 H ARG A 47 -1.821 -10.707 6.551 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.501 -9.974 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.591 -11.594 10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.743 -10.384 9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.505 -13.024 8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.447 -12.894 9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.862 -11.219 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.834 -12.600 7.876 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.726 -10.549 9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.347 -11.689 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.813 -10.750 7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.614 -9.326 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.964 -9.416 9.202 1.00 0.00 H new ATOM 495 N VAL A 48 0.790 -12.136 8.731 1.00 0.00 N ATOM 496 CA VAL A 48 1.705 -13.189 8.365 1.00 0.00 C ATOM 497 C VAL A 48 1.080 -14.539 8.673 1.00 0.00 C ATOM 498 O VAL A 48 0.376 -14.688 9.671 1.00 0.00 O ATOM 499 CB VAL A 48 3.026 -13.057 9.123 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.176 -13.559 8.275 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.252 -11.619 9.537 1.00 0.00 C ATOM 0 H VAL A 48 1.055 -11.622 9.571 1.00 0.00 H new ATOM 0 HA VAL A 48 1.909 -13.108 7.297 1.00 0.00 H new ATOM 0 HB VAL A 48 2.975 -13.670 10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.109 -13.458 8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.014 -14.608 8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.234 -12.973 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.196 -11.540 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.286 -10.986 8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.437 -11.294 10.184 1.00 0.00 H new ATOM 511 N GLY A 49 1.329 -15.513 7.821 1.00 0.00 N ATOM 512 CA GLY A 49 0.733 -16.816 8.013 1.00 0.00 C ATOM 513 C GLY A 49 -0.142 -17.225 6.850 1.00 0.00 C ATOM 514 O GLY A 49 -0.402 -18.414 6.656 1.00 0.00 O ATOM 0 H GLY A 49 1.931 -15.428 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.521 -17.557 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.139 -16.810 8.927 1.00 0.00 H new ATOM 518 N MET A 50 -0.612 -16.252 6.078 1.00 0.00 N ATOM 519 CA MET A 50 -1.395 -16.563 4.889 1.00 0.00 C ATOM 520 C MET A 50 -0.525 -16.563 3.644 1.00 0.00 C ATOM 521 O MET A 50 0.674 -16.293 3.707 1.00 0.00 O ATOM 522 CB MET A 50 -2.601 -15.632 4.700 1.00 0.00 C ATOM 523 CG MET A 50 -2.318 -14.151 4.818 1.00 0.00 C ATOM 524 SD MET A 50 -3.781 -13.166 4.436 1.00 0.00 S ATOM 525 CE MET A 50 -3.130 -11.512 4.562 1.00 0.00 C ATOM 0 H MET A 50 -0.468 -15.257 6.250 1.00 0.00 H new ATOM 0 HA MET A 50 -1.792 -17.566 5.044 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.032 -15.823 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.359 -15.897 5.437 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.979 -13.924 5.829 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.508 -13.879 4.141 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.798 -10.903 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.144 -11.543 5.026 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.049 -11.076 3.566 1.00 0.00 H new ATOM 535 N THR A 51 -1.140 -16.871 2.516 1.00 0.00 N ATOM 536 CA THR A 51 -0.411 -17.088 1.281 1.00 0.00 C ATOM 537 C THR A 51 -0.302 -15.822 0.458 1.00 0.00 C ATOM 538 O THR A 51 -0.738 -14.747 0.881 1.00 0.00 O ATOM 539 CB THR A 51 -1.107 -18.140 0.411 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.357 -17.638 -0.064 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.355 -19.387 1.203 1.00 0.00 C ATOM 0 H THR A 51 -2.151 -16.977 2.431 1.00 0.00 H new ATOM 0 HA THR A 51 0.584 -17.424 1.573 1.00 0.00 H new ATOM 0 HB THR A 51 -0.458 -18.367 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.040 -18.337 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.850 -20.126 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.405 -19.789 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.991 -19.155 2.058 1.00 0.00 H new ATOM 549 N GLN A 52 0.269 -15.962 -0.726 1.00 0.00 N ATOM 550 CA GLN A 52 0.282 -14.891 -1.692 1.00 0.00 C ATOM 551 C GLN A 52 -1.137 -14.538 -2.117 1.00 0.00 C ATOM 552 O GLN A 52 -1.519 -13.367 -2.128 1.00 0.00 O ATOM 553 CB GLN A 52 1.088 -15.293 -2.919 1.00 0.00 C ATOM 554 CG GLN A 52 2.589 -15.340 -2.691 1.00 0.00 C ATOM 555 CD GLN A 52 3.353 -15.743 -3.937 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.907 -15.508 -5.057 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.518 -16.342 -3.751 1.00 0.00 N ATOM 0 H GLN A 52 0.732 -16.816 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 52 0.744 -14.021 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.752 -16.274 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.876 -14.590 -3.725 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.934 -14.361 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.810 -16.045 -1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.855 -16.520 -2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.079 -16.626 -4.554 1.00 0.00 H new ATOM 566 N GLN A 53 -1.933 -15.556 -2.428 1.00 0.00 N ATOM 567 CA GLN A 53 -3.259 -15.311 -2.979 1.00 0.00 C ATOM 568 C GLN A 53 -4.122 -14.618 -1.950 1.00 0.00 C ATOM 569 O GLN A 53 -4.941 -13.763 -2.275 1.00 0.00 O ATOM 570 CB GLN A 53 -3.932 -16.602 -3.440 1.00 0.00 C ATOM 571 CG GLN A 53 -4.142 -17.625 -2.354 1.00 0.00 C ATOM 572 CD GLN A 53 -5.190 -18.651 -2.718 1.00 0.00 C ATOM 573 OE1 GLN A 53 -4.887 -19.678 -3.324 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.430 -18.377 -2.349 1.00 0.00 N ATOM 0 H GLN A 53 -1.689 -16.539 -2.311 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.142 -14.670 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.898 -16.355 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.328 -17.049 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.199 -18.131 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.438 -17.119 -1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.634 -17.512 -1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.183 -19.030 -2.565 1.00 0.00 H new ATOM 583 N GLN A 54 -3.910 -14.989 -0.703 1.00 0.00 N ATOM 584 CA GLN A 54 -4.611 -14.368 0.406 1.00 0.00 C ATOM 585 C GLN A 54 -4.306 -12.875 0.451 1.00 0.00 C ATOM 586 O GLN A 54 -5.215 -12.046 0.483 1.00 0.00 O ATOM 587 CB GLN A 54 -4.190 -14.995 1.729 1.00 0.00 C ATOM 588 CG GLN A 54 -4.355 -16.500 1.801 1.00 0.00 C ATOM 589 CD GLN A 54 -5.540 -16.930 2.636 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.579 -16.265 2.665 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.367 -18.026 3.355 1.00 0.00 N ATOM 0 H GLN A 54 -3.254 -15.721 -0.430 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.679 -14.524 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.145 -14.749 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.772 -14.541 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.467 -16.895 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.448 -16.939 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.489 -18.541 3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.112 -18.356 3.969 1.00 0.00 H new ATOM 600 N VAL A 55 -3.019 -12.540 0.435 1.00 0.00 N ATOM 601 CA VAL A 55 -2.590 -11.163 0.575 1.00 0.00 C ATOM 602 C VAL A 55 -3.003 -10.318 -0.615 1.00 0.00 C ATOM 603 O VAL A 55 -3.510 -9.219 -0.440 1.00 0.00 O ATOM 604 CB VAL A 55 -1.070 -11.067 0.764 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.616 -9.621 0.705 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.681 -11.685 2.084 1.00 0.00 C ATOM 0 H VAL A 55 -2.257 -13.210 0.326 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.086 -10.775 1.465 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.580 -11.612 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.464 -9.573 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.879 -9.196 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.107 -9.053 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.399 -11.615 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.180 -11.154 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.981 -12.733 2.098 1.00 0.00 H new ATOM 616 N ALA A 56 -2.811 -10.824 -1.824 1.00 0.00 N ATOM 617 CA ALA A 56 -3.160 -10.050 -3.008 1.00 0.00 C ATOM 618 C ALA A 56 -4.656 -9.799 -3.055 1.00 0.00 C ATOM 619 O ALA A 56 -5.113 -8.840 -3.664 1.00 0.00 O ATOM 620 CB ALA A 56 -2.693 -10.725 -4.287 1.00 0.00 C ATOM 0 H ALA A 56 -2.423 -11.749 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.642 -9.094 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.974 -10.114 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.609 -10.840 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.160 -11.706 -4.372 1.00 0.00 H new ATOM 626 N TYR A 57 -5.419 -10.668 -2.416 1.00 0.00 N ATOM 627 CA TYR A 57 -6.851 -10.477 -2.327 1.00 0.00 C ATOM 628 C TYR A 57 -7.205 -9.484 -1.216 1.00 0.00 C ATOM 629 O TYR A 57 -8.047 -8.605 -1.403 1.00 0.00 O ATOM 630 CB TYR A 57 -7.538 -11.825 -2.139 1.00 0.00 C ATOM 631 CG TYR A 57 -7.713 -12.568 -3.448 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.815 -12.385 -4.501 1.00 0.00 C ATOM 633 CD2 TYR A 57 -8.776 -13.439 -3.642 1.00 0.00 C ATOM 634 CE1 TYR A 57 -6.976 -13.043 -5.700 1.00 0.00 C ATOM 635 CE2 TYR A 57 -8.945 -14.103 -4.845 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.041 -13.903 -5.870 1.00 0.00 C ATOM 637 OH TYR A 57 -8.205 -14.558 -7.072 1.00 0.00 O ATOM 0 H TYR A 57 -5.071 -11.508 -1.954 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.215 -10.042 -3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.952 -12.436 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.513 -11.672 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.978 -11.715 -4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.483 -13.601 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.272 -12.886 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.780 -14.774 -4.981 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.002 -15.127 -7.028 1.00 0.00 H new ATOM 647 N ALA A 58 -6.530 -9.614 -0.071 1.00 0.00 N ATOM 648 CA ALA A 58 -6.741 -8.724 1.069 1.00 0.00 C ATOM 649 C ALA A 58 -6.264 -7.313 0.765 1.00 0.00 C ATOM 650 O ALA A 58 -6.933 -6.326 1.068 1.00 0.00 O ATOM 651 CB ALA A 58 -5.991 -9.250 2.279 1.00 0.00 C ATOM 0 H ALA A 58 -5.827 -10.335 0.090 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.811 -8.693 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.152 -8.582 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.356 -10.246 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.926 -9.299 2.054 1.00 0.00 H new ATOM 657 N LEU A 59 -5.089 -7.247 0.171 1.00 0.00 N ATOM 658 CA LEU A 59 -4.388 -6.003 -0.064 1.00 0.00 C ATOM 659 C LEU A 59 -4.756 -5.400 -1.410 1.00 0.00 C ATOM 660 O LEU A 59 -4.899 -4.185 -1.546 1.00 0.00 O ATOM 661 CB LEU A 59 -2.884 -6.288 -0.001 1.00 0.00 C ATOM 662 CG LEU A 59 -2.109 -5.503 1.041 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.934 -5.367 2.299 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.803 -6.200 1.336 1.00 0.00 C ATOM 0 H LEU A 59 -4.588 -8.069 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.673 -5.278 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.742 -7.351 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.452 -6.081 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.894 -4.506 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.372 -4.803 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.862 -4.843 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.164 -6.357 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.249 -5.633 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.003 -7.203 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.212 -6.268 0.422 1.00 0.00 H new ATOM 676 N GLY A 60 -4.955 -6.262 -2.384 1.00 0.00 N ATOM 677 CA GLY A 60 -5.116 -5.820 -3.748 1.00 0.00 C ATOM 678 C GLY A 60 -3.885 -6.166 -4.545 1.00 0.00 C ATOM 679 O GLY A 60 -2.770 -5.869 -4.120 1.00 0.00 O ATOM 0 H GLY A 60 -5.009 -7.272 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.992 -6.292 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.286 -4.744 -3.774 1.00 0.00 H new ATOM 683 N THR A 61 -4.073 -6.832 -5.671 1.00 0.00 N ATOM 684 CA THR A 61 -2.954 -7.265 -6.485 1.00 0.00 C ATOM 685 C THR A 61 -2.112 -6.066 -6.927 1.00 0.00 C ATOM 686 O THR A 61 -2.647 -5.030 -7.333 1.00 0.00 O ATOM 687 CB THR A 61 -3.439 -8.062 -7.707 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.367 -7.279 -8.469 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.103 -9.362 -7.266 1.00 0.00 C ATOM 0 H THR A 61 -4.990 -7.084 -6.041 1.00 0.00 H new ATOM 0 HA THR A 61 -2.330 -7.920 -5.878 1.00 0.00 H new ATOM 0 HB THR A 61 -2.576 -8.301 -8.328 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.669 -7.794 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.441 -9.914 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.386 -9.967 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.958 -9.136 -6.629 1.00 0.00 H new ATOM 697 N PRO A 62 -0.777 -6.205 -6.843 1.00 0.00 N ATOM 698 CA PRO A 62 0.168 -5.106 -7.077 1.00 0.00 C ATOM 699 C PRO A 62 0.100 -4.544 -8.489 1.00 0.00 C ATOM 700 O PRO A 62 -0.562 -5.112 -9.353 1.00 0.00 O ATOM 701 CB PRO A 62 1.545 -5.733 -6.814 1.00 0.00 C ATOM 702 CG PRO A 62 1.272 -6.999 -6.078 1.00 0.00 C ATOM 703 CD PRO A 62 -0.088 -7.458 -6.523 1.00 0.00 C ATOM 0 HA PRO A 62 -0.057 -4.256 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.072 -5.928 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.174 -5.065 -6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.029 -7.751 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.294 -6.835 -5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.027 -8.116 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.603 -8.011 -5.738 1.00 0.00 H new ATOM 711 N LEU A 63 0.805 -3.450 -8.713 1.00 0.00 N ATOM 712 CA LEU A 63 0.732 -2.698 -9.962 1.00 0.00 C ATOM 713 C LEU A 63 0.925 -3.601 -11.172 1.00 0.00 C ATOM 714 O LEU A 63 0.184 -3.502 -12.154 1.00 0.00 O ATOM 715 CB LEU A 63 1.809 -1.628 -9.942 1.00 0.00 C ATOM 716 CG LEU A 63 1.901 -0.862 -8.627 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.301 -0.301 -8.459 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.861 0.248 -8.583 1.00 0.00 C ATOM 0 H LEU A 63 1.450 -3.052 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.257 -2.247 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.773 -2.094 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.619 -0.921 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 63 1.697 -1.544 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.363 0.246 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.022 -1.118 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.525 0.373 -9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.941 0.784 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.032 0.940 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.136 -0.184 -8.672 1.00 0.00 H new ATOM 730 N MET A 64 1.906 -4.498 -11.077 1.00 0.00 N ATOM 731 CA MET A 64 2.203 -5.449 -12.155 1.00 0.00 C ATOM 732 C MET A 64 1.001 -6.336 -12.500 1.00 0.00 C ATOM 733 O MET A 64 1.015 -7.038 -13.511 1.00 0.00 O ATOM 734 CB MET A 64 3.413 -6.309 -11.783 1.00 0.00 C ATOM 735 CG MET A 64 3.380 -6.838 -10.357 1.00 0.00 C ATOM 736 SD MET A 64 4.915 -7.657 -9.886 1.00 0.00 S ATOM 737 CE MET A 64 4.597 -7.934 -8.149 1.00 0.00 C ATOM 0 H MET A 64 2.513 -4.588 -10.262 1.00 0.00 H new ATOM 0 HA MET A 64 2.435 -4.866 -13.046 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.472 -7.152 -12.471 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.320 -5.721 -11.921 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.188 -6.013 -9.672 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.552 -7.539 -10.252 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.496 -7.712 -7.575 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.786 -7.285 -7.819 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.315 -8.975 -7.992 1.00 0.00 H new ATOM 747 N SER A 65 -0.022 -6.308 -11.640 1.00 0.00 N ATOM 748 CA SER A 65 -1.297 -7.003 -11.872 1.00 0.00 C ATOM 749 C SER A 65 -1.137 -8.522 -11.804 1.00 0.00 C ATOM 750 O SER A 65 -2.106 -9.271 -11.937 1.00 0.00 O ATOM 751 CB SER A 65 -1.903 -6.572 -13.215 1.00 0.00 C ATOM 752 OG SER A 65 -3.251 -7.001 -13.350 1.00 0.00 O ATOM 0 H SER A 65 0.009 -5.799 -10.756 1.00 0.00 H new ATOM 0 HA SER A 65 -1.982 -6.718 -11.073 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.857 -5.486 -13.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.308 -6.983 -14.030 1.00 0.00 H new ATOM 0 HG SER A 65 -3.348 -7.899 -12.971 1.00 0.00 H new ATOM 758 N ASP A 66 0.081 -8.965 -11.568 1.00 0.00 N ATOM 759 CA ASP A 66 0.380 -10.377 -11.434 1.00 0.00 C ATOM 760 C ASP A 66 1.280 -10.586 -10.234 1.00 0.00 C ATOM 761 O ASP A 66 2.498 -10.486 -10.332 1.00 0.00 O ATOM 762 CB ASP A 66 1.047 -10.940 -12.687 1.00 0.00 C ATOM 763 CG ASP A 66 0.082 -11.122 -13.840 1.00 0.00 C ATOM 764 OD1 ASP A 66 -0.172 -10.149 -14.578 1.00 0.00 O ATOM 765 OD2 ASP A 66 -0.412 -12.256 -14.026 1.00 0.00 O ATOM 0 H ASP A 66 0.893 -8.356 -11.464 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.561 -10.910 -11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.851 -10.272 -12.995 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.504 -11.900 -12.448 1.00 0.00 H new ATOM 770 N PRO A 67 0.673 -10.835 -9.080 1.00 0.00 N ATOM 771 CA PRO A 67 1.391 -11.022 -7.820 1.00 0.00 C ATOM 772 C PRO A 67 2.026 -12.406 -7.690 1.00 0.00 C ATOM 773 O PRO A 67 3.066 -12.564 -7.053 1.00 0.00 O ATOM 774 CB PRO A 67 0.280 -10.841 -6.786 1.00 0.00 C ATOM 775 CG PRO A 67 -0.949 -11.333 -7.471 1.00 0.00 C ATOM 776 CD PRO A 67 -0.785 -10.940 -8.915 1.00 0.00 C ATOM 0 HA PRO A 67 2.229 -10.333 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.484 -11.411 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.179 -9.797 -6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.051 -12.413 -7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.845 -10.885 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.212 -11.686 -9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.282 -9.995 -9.133 1.00 0.00 H new ATOM 784 N PHE A 68 1.412 -13.394 -8.333 1.00 0.00 N ATOM 785 CA PHE A 68 1.796 -14.787 -8.173 1.00 0.00 C ATOM 786 C PHE A 68 3.016 -15.146 -9.019 1.00 0.00 C ATOM 787 O PHE A 68 3.240 -16.317 -9.330 1.00 0.00 O ATOM 788 CB PHE A 68 0.617 -15.679 -8.559 1.00 0.00 C ATOM 789 CG PHE A 68 -0.673 -15.291 -7.895 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.706 -14.987 -6.545 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.849 -15.219 -8.622 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.887 -14.625 -5.929 1.00 0.00 C ATOM 793 CE2 PHE A 68 -3.037 -14.859 -8.013 1.00 0.00 C ATOM 794 CZ PHE A 68 -3.055 -14.558 -6.665 1.00 0.00 C ATOM 0 H PHE A 68 0.635 -13.249 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 68 2.066 -14.946 -7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.484 -15.644 -9.640 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.853 -16.711 -8.300 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.204 -15.034 -5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.838 -15.447 -9.678 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.898 -14.395 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.949 -14.813 -8.590 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.980 -14.271 -6.187 1.00 0.00 H new ATOM 804 N GLY A 69 3.795 -14.145 -9.395 1.00 0.00 N ATOM 805 CA GLY A 69 4.984 -14.391 -10.184 1.00 0.00 C ATOM 806 C GLY A 69 6.250 -14.088 -9.411 1.00 0.00 C ATOM 807 O GLY A 69 7.341 -14.519 -9.793 1.00 0.00 O ATOM 0 H GLY A 69 3.626 -13.165 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.996 -15.432 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.954 -13.779 -11.085 1.00 0.00 H new ATOM 811 N THR A 70 6.108 -13.336 -8.330 1.00 0.00 N ATOM 812 CA THR A 70 7.242 -12.956 -7.507 1.00 0.00 C ATOM 813 C THR A 70 7.008 -13.370 -6.054 1.00 0.00 C ATOM 814 O THR A 70 5.919 -13.817 -5.695 1.00 0.00 O ATOM 815 CB THR A 70 7.505 -11.431 -7.586 1.00 0.00 C ATOM 816 OG1 THR A 70 8.807 -11.123 -7.063 1.00 0.00 O ATOM 817 CG2 THR A 70 6.462 -10.655 -6.806 1.00 0.00 C ATOM 0 H THR A 70 5.212 -12.976 -8.002 1.00 0.00 H new ATOM 0 HA THR A 70 8.121 -13.475 -7.889 1.00 0.00 H new ATOM 0 HB THR A 70 7.450 -11.140 -8.635 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.962 -10.157 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.672 -9.588 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.473 -10.859 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.489 -10.959 -5.760 1.00 0.00 H new ATOM 825 N ASN A 71 8.030 -13.225 -5.228 1.00 0.00 N ATOM 826 CA ASN A 71 7.924 -13.566 -3.813 1.00 0.00 C ATOM 827 C ASN A 71 8.321 -12.369 -2.958 1.00 0.00 C ATOM 828 O ASN A 71 8.604 -12.500 -1.765 1.00 0.00 O ATOM 829 CB ASN A 71 8.800 -14.776 -3.470 1.00 0.00 C ATOM 830 CG ASN A 71 10.284 -14.508 -3.649 1.00 0.00 C ATOM 831 OD1 ASN A 71 10.693 -13.704 -4.491 1.00 0.00 O ATOM 832 ND2 ASN A 71 11.102 -15.181 -2.856 1.00 0.00 N ATOM 0 H ASN A 71 8.945 -12.873 -5.510 1.00 0.00 H new ATOM 0 HA ASN A 71 6.888 -13.829 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.612 -15.072 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.510 -15.617 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.110 -15.044 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.724 -15.837 -2.172 1.00 0.00 H new ATOM 839 N THR A 72 8.362 -11.205 -3.594 1.00 0.00 N ATOM 840 CA THR A 72 8.658 -9.958 -2.923 1.00 0.00 C ATOM 841 C THR A 72 7.739 -8.864 -3.454 1.00 0.00 C ATOM 842 O THR A 72 7.868 -8.437 -4.602 1.00 0.00 O ATOM 843 CB THR A 72 10.120 -9.550 -3.147 1.00 0.00 C ATOM 844 OG1 THR A 72 10.984 -10.665 -2.888 1.00 0.00 O ATOM 845 CG2 THR A 72 10.484 -8.409 -2.231 1.00 0.00 C ATOM 0 H THR A 72 8.189 -11.105 -4.594 1.00 0.00 H new ATOM 0 HA THR A 72 8.496 -10.094 -1.854 1.00 0.00 H new ATOM 0 HB THR A 72 10.241 -9.232 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.915 -10.398 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.524 -8.126 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.838 -7.556 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.354 -8.719 -1.194 1.00 0.00 H new ATOM 853 N TRP A 73 6.801 -8.432 -2.626 1.00 0.00 N ATOM 854 CA TRP A 73 5.795 -7.463 -3.050 1.00 0.00 C ATOM 855 C TRP A 73 6.103 -6.088 -2.486 1.00 0.00 C ATOM 856 O TRP A 73 6.583 -5.969 -1.359 1.00 0.00 O ATOM 857 CB TRP A 73 4.402 -7.926 -2.611 1.00 0.00 C ATOM 858 CG TRP A 73 3.945 -9.165 -3.316 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.584 -9.809 -4.333 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.748 -9.905 -3.067 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.863 -10.908 -4.724 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.733 -10.987 -3.965 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.689 -9.761 -2.172 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.706 -11.916 -3.993 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.667 -10.687 -2.204 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.684 -11.750 -3.110 1.00 0.00 C ATOM 0 H TRP A 73 6.713 -8.735 -1.656 1.00 0.00 H new ATOM 0 HA TRP A 73 5.815 -7.394 -4.138 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.408 -8.108 -1.536 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.685 -7.126 -2.794 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.523 -9.499 -4.768 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.129 -11.560 -5.462 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.669 -8.942 -1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.716 -12.741 -4.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.160 -10.588 -1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.133 -12.456 -3.110 1.00 0.00 H new ATOM 877 N PHE A 74 5.836 -5.050 -3.274 1.00 0.00 N ATOM 878 CA PHE A 74 6.167 -3.687 -2.869 1.00 0.00 C ATOM 879 C PHE A 74 4.914 -2.824 -2.757 1.00 0.00 C ATOM 880 O PHE A 74 4.222 -2.577 -3.742 1.00 0.00 O ATOM 881 CB PHE A 74 7.151 -3.050 -3.856 1.00 0.00 C ATOM 882 CG PHE A 74 8.298 -3.949 -4.228 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.252 -4.309 -3.290 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.412 -4.440 -5.518 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.298 -5.143 -3.633 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.456 -5.273 -5.867 1.00 0.00 C ATOM 887 CZ PHE A 74 10.401 -5.625 -4.923 1.00 0.00 C ATOM 0 H PHE A 74 5.394 -5.125 -4.190 1.00 0.00 H new ATOM 0 HA PHE A 74 6.637 -3.742 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.613 -2.768 -4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.546 -2.132 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.177 -3.934 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.675 -4.168 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.035 -5.418 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.534 -5.649 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.219 -6.276 -5.193 1.00 0.00 H new ATOM 897 N TYR A 75 4.630 -2.392 -1.540 1.00 0.00 N ATOM 898 CA TYR A 75 3.512 -1.500 -1.255 1.00 0.00 C ATOM 899 C TYR A 75 4.033 -0.338 -0.418 1.00 0.00 C ATOM 900 O TYR A 75 5.214 -0.320 -0.075 1.00 0.00 O ATOM 901 CB TYR A 75 2.406 -2.241 -0.503 1.00 0.00 C ATOM 902 CG TYR A 75 1.925 -3.495 -1.187 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.208 -3.438 -2.373 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.179 -4.733 -0.629 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.758 -4.589 -2.987 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.737 -5.893 -1.235 1.00 0.00 C ATOM 907 CZ TYR A 75 1.026 -5.815 -2.413 1.00 0.00 C ATOM 908 OH TYR A 75 0.575 -6.965 -3.016 1.00 0.00 O ATOM 0 H TYR A 75 5.171 -2.650 -0.714 1.00 0.00 H new ATOM 0 HA TYR A 75 3.087 -1.132 -2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.769 -2.500 0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.560 -1.567 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.999 -2.479 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.732 -4.795 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.200 -4.531 -3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.947 -6.854 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 75 1.078 -7.733 -2.673 1.00 0.00 H new ATOM 918 N VAL A 76 3.196 0.640 -0.100 1.00 0.00 N ATOM 919 CA VAL A 76 3.680 1.804 0.636 1.00 0.00 C ATOM 920 C VAL A 76 2.817 2.093 1.860 1.00 0.00 C ATOM 921 O VAL A 76 1.650 1.718 1.922 1.00 0.00 O ATOM 922 CB VAL A 76 3.761 3.055 -0.276 1.00 0.00 C ATOM 923 CG1 VAL A 76 2.398 3.419 -0.826 1.00 0.00 C ATOM 924 CG2 VAL A 76 4.371 4.245 0.452 1.00 0.00 C ATOM 0 H VAL A 76 2.203 0.655 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 76 4.686 1.567 0.981 1.00 0.00 H new ATOM 0 HB VAL A 76 4.415 2.800 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.486 4.300 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.008 2.586 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.718 3.633 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.410 5.102 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.760 4.493 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.380 3.993 0.779 1.00 0.00 H new ATOM 934 N PHE A 77 3.434 2.722 2.845 1.00 0.00 N ATOM 935 CA PHE A 77 2.746 3.152 4.056 1.00 0.00 C ATOM 936 C PHE A 77 2.208 4.561 3.884 1.00 0.00 C ATOM 937 O PHE A 77 2.684 5.316 3.034 1.00 0.00 O ATOM 938 CB PHE A 77 3.700 3.117 5.253 1.00 0.00 C ATOM 939 CG PHE A 77 3.573 1.888 6.107 1.00 0.00 C ATOM 940 CD1 PHE A 77 3.184 0.680 5.558 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.825 1.952 7.468 1.00 0.00 C ATOM 942 CE1 PHE A 77 3.056 -0.444 6.348 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.698 0.832 8.264 1.00 0.00 C ATOM 944 CZ PHE A 77 3.310 -0.367 7.703 1.00 0.00 C ATOM 0 H PHE A 77 4.428 2.951 2.830 1.00 0.00 H new ATOM 0 HA PHE A 77 1.917 2.469 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.725 3.188 4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.520 3.996 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.978 0.616 4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.125 2.890 7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.757 -1.383 5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.902 0.894 9.323 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.205 -1.245 8.323 1.00 0.00 H new ATOM 954 N ARG A 78 1.220 4.913 4.701 1.00 0.00 N ATOM 955 CA ARG A 78 0.657 6.248 4.686 1.00 0.00 C ATOM 956 C ARG A 78 1.743 7.236 5.083 1.00 0.00 C ATOM 957 O ARG A 78 2.150 7.294 6.242 1.00 0.00 O ATOM 958 CB ARG A 78 -0.537 6.311 5.649 1.00 0.00 C ATOM 959 CG ARG A 78 -1.446 7.511 5.450 1.00 0.00 C ATOM 960 CD ARG A 78 -0.916 8.773 6.122 1.00 0.00 C ATOM 961 NE ARG A 78 -1.950 9.807 6.242 1.00 0.00 N ATOM 962 CZ ARG A 78 -1.701 11.117 6.342 1.00 0.00 C ATOM 963 NH1 ARG A 78 -0.452 11.565 6.343 1.00 0.00 N ATOM 964 NH2 ARG A 78 -2.705 11.979 6.467 1.00 0.00 N ATOM 0 H ARG A 78 0.795 4.285 5.383 1.00 0.00 H new ATOM 0 HA ARG A 78 0.297 6.504 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.127 5.402 5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.162 6.322 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.566 7.697 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.435 7.282 5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.536 8.524 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.077 9.165 5.547 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.925 9.506 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.325 10.909 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.269 12.566 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.667 11.642 6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.513 12.978 6.543 1.00 0.00 H new ATOM 978 N GLN A 79 2.210 7.995 4.108 1.00 0.00 N ATOM 979 CA GLN A 79 3.345 8.864 4.291 1.00 0.00 C ATOM 980 C GLN A 79 3.447 9.820 3.103 1.00 0.00 C ATOM 981 O GLN A 79 2.431 10.161 2.493 1.00 0.00 O ATOM 982 CB GLN A 79 4.616 8.010 4.432 1.00 0.00 C ATOM 983 CG GLN A 79 5.779 8.723 5.113 1.00 0.00 C ATOM 984 CD GLN A 79 5.440 9.170 6.521 1.00 0.00 C ATOM 985 OE1 GLN A 79 4.928 10.270 6.724 1.00 0.00 O ATOM 986 NE2 GLN A 79 5.721 8.327 7.501 1.00 0.00 N ATOM 0 H GLN A 79 1.810 8.022 3.170 1.00 0.00 H new ATOM 0 HA GLN A 79 3.227 9.458 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.374 7.111 4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.934 7.686 3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.641 8.057 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.067 9.590 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.146 7.424 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.513 8.580 8.467 1.00 0.00 H new ATOM 995 N GLN A 80 4.664 10.244 2.791 1.00 0.00 N ATOM 996 CA GLN A 80 4.927 11.162 1.687 1.00 0.00 C ATOM 997 C GLN A 80 4.354 10.651 0.368 1.00 0.00 C ATOM 998 O GLN A 80 4.266 9.445 0.129 1.00 0.00 O ATOM 999 CB GLN A 80 6.434 11.355 1.529 1.00 0.00 C ATOM 1000 CG GLN A 80 7.159 10.107 1.037 1.00 0.00 C ATOM 1001 CD GLN A 80 8.629 10.344 0.755 1.00 0.00 C ATOM 1002 OE1 GLN A 80 9.448 9.443 0.901 1.00 0.00 O ATOM 1003 NE2 GLN A 80 8.976 11.541 0.323 1.00 0.00 N ATOM 0 H GLN A 80 5.502 9.960 3.298 1.00 0.00 H new ATOM 0 HA GLN A 80 4.440 12.108 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.616 12.171 0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.856 11.657 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.061 9.319 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.675 9.747 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.269 12.268 0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.951 11.740 0.099 1.00 0.00 H new ATOM 1012 N PRO A 81 3.962 11.589 -0.504 1.00 0.00 N ATOM 1013 CA PRO A 81 3.492 11.286 -1.855 1.00 0.00 C ATOM 1014 C PRO A 81 4.621 10.816 -2.766 1.00 0.00 C ATOM 1015 O PRO A 81 4.393 10.392 -3.899 1.00 0.00 O ATOM 1016 CB PRO A 81 2.904 12.616 -2.351 1.00 0.00 C ATOM 1017 CG PRO A 81 2.831 13.499 -1.145 1.00 0.00 C ATOM 1018 CD PRO A 81 3.913 13.026 -0.222 1.00 0.00 C ATOM 0 HA PRO A 81 2.768 10.471 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.533 13.059 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.917 12.469 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.979 14.544 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.853 13.429 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.866 13.513 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.673 13.227 0.822 1.00 0.00 H new ATOM 1026 N GLY A 82 5.836 10.935 -2.264 1.00 0.00 N ATOM 1027 CA GLY A 82 6.986 10.334 -2.916 1.00 0.00 C ATOM 1028 C GLY A 82 7.780 11.292 -3.787 1.00 0.00 C ATOM 1029 O GLY A 82 8.707 10.870 -4.478 1.00 0.00 O ATOM 0 H GLY A 82 6.053 11.443 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.647 9.921 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.647 9.499 -3.530 1.00 0.00 H new ATOM 1033 N HIS A 83 7.449 12.574 -3.758 1.00 0.00 N ATOM 1034 CA HIS A 83 8.198 13.554 -4.545 1.00 0.00 C ATOM 1035 C HIS A 83 9.028 14.447 -3.634 1.00 0.00 C ATOM 1036 O HIS A 83 9.262 15.623 -3.919 1.00 0.00 O ATOM 1037 CB HIS A 83 7.277 14.388 -5.452 1.00 0.00 C ATOM 1038 CG HIS A 83 6.160 15.108 -4.752 1.00 0.00 C ATOM 1039 ND1 HIS A 83 4.866 14.637 -4.731 1.00 0.00 N ATOM 1040 CD2 HIS A 83 6.138 16.285 -4.084 1.00 0.00 C ATOM 1041 CE1 HIS A 83 4.096 15.495 -4.087 1.00 0.00 C ATOM 1042 NE2 HIS A 83 4.844 16.504 -3.683 1.00 0.00 N ATOM 0 H HIS A 83 6.681 12.960 -3.209 1.00 0.00 H new ATOM 0 HA HIS A 83 8.875 13.004 -5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.885 15.123 -5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.845 13.730 -6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.983 16.932 -3.900 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.034 15.389 -3.919 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.514 17.314 -3.158 1.00 0.00 H new ATOM 1051 N GLU A 84 9.463 13.866 -2.530 1.00 0.00 N ATOM 1052 CA GLU A 84 10.249 14.572 -1.537 1.00 0.00 C ATOM 1053 C GLU A 84 11.584 13.870 -1.319 1.00 0.00 C ATOM 1054 O GLU A 84 11.971 13.003 -2.107 1.00 0.00 O ATOM 1055 CB GLU A 84 9.492 14.631 -0.224 1.00 0.00 C ATOM 1056 CG GLU A 84 8.157 15.332 -0.342 1.00 0.00 C ATOM 1057 CD GLU A 84 7.051 14.429 -0.858 1.00 0.00 C ATOM 1058 OE1 GLU A 84 7.196 13.191 -0.777 1.00 0.00 O ATOM 1059 OE2 GLU A 84 6.043 14.953 -1.363 1.00 0.00 O ATOM 0 H GLU A 84 9.280 12.890 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 84 10.433 15.584 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.332 13.617 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.102 15.146 0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.872 15.723 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.261 16.187 -1.010 1.00 0.00 H new ATOM 1066 N GLY A 85 12.269 14.245 -0.245 1.00 0.00 N ATOM 1067 CA GLY A 85 13.435 13.523 0.199 1.00 0.00 C ATOM 1068 C GLY A 85 13.023 12.166 0.698 1.00 0.00 C ATOM 1069 O GLY A 85 12.599 12.019 1.846 1.00 0.00 O ATOM 0 H GLY A 85 12.028 15.051 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.147 13.421 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.939 14.076 0.991 1.00 0.00 H new ATOM 1073 N VAL A 86 13.100 11.205 -0.201 1.00 0.00 N ATOM 1074 CA VAL A 86 12.586 9.853 0.017 1.00 0.00 C ATOM 1075 C VAL A 86 12.873 9.327 1.414 1.00 0.00 C ATOM 1076 O VAL A 86 14.018 9.238 1.856 1.00 0.00 O ATOM 1077 CB VAL A 86 13.153 8.847 -0.983 1.00 0.00 C ATOM 1078 CG1 VAL A 86 12.388 7.533 -0.918 1.00 0.00 C ATOM 1079 CG2 VAL A 86 13.136 9.422 -2.387 1.00 0.00 C ATOM 0 H VAL A 86 13.526 11.336 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 86 11.509 9.948 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 86 14.190 8.643 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.808 6.831 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.468 7.115 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.339 7.711 -1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.544 8.691 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.111 9.661 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.741 10.328 -2.416 1.00 0.00 H new ATOM 1089 N THR A 87 11.799 8.978 2.073 1.00 0.00 N ATOM 1090 CA THR A 87 11.824 8.438 3.420 1.00 0.00 C ATOM 1091 C THR A 87 10.610 7.532 3.615 1.00 0.00 C ATOM 1092 O THR A 87 10.285 7.110 4.727 1.00 0.00 O ATOM 1093 CB THR A 87 11.800 9.580 4.457 1.00 0.00 C ATOM 1094 OG1 THR A 87 11.898 9.062 5.792 1.00 0.00 O ATOM 1095 CG2 THR A 87 10.523 10.394 4.312 1.00 0.00 C ATOM 0 H THR A 87 10.859 9.061 1.686 1.00 0.00 H new ATOM 0 HA THR A 87 12.740 7.864 3.562 1.00 0.00 H new ATOM 0 HB THR A 87 12.660 10.224 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.293 8.297 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.518 11.197 5.049 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.475 10.821 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.660 9.748 4.473 1.00 0.00 H new ATOM 1103 N GLN A 88 9.953 7.250 2.499 1.00 0.00 N ATOM 1104 CA GLN A 88 8.728 6.495 2.451 1.00 0.00 C ATOM 1105 C GLN A 88 8.908 5.101 3.033 1.00 0.00 C ATOM 1106 O GLN A 88 9.843 4.397 2.688 1.00 0.00 O ATOM 1107 CB GLN A 88 8.301 6.436 0.982 1.00 0.00 C ATOM 1108 CG GLN A 88 7.968 5.061 0.477 1.00 0.00 C ATOM 1109 CD GLN A 88 7.444 5.070 -0.947 1.00 0.00 C ATOM 1110 OE1 GLN A 88 7.640 4.120 -1.701 1.00 0.00 O ATOM 1111 NE2 GLN A 88 6.767 6.146 -1.327 1.00 0.00 N ATOM 0 H GLN A 88 10.274 7.553 1.580 1.00 0.00 H new ATOM 0 HA GLN A 88 7.959 6.975 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.431 7.078 0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.102 6.849 0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.858 4.434 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.222 4.609 1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.624 6.916 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.390 6.203 -2.273 1.00 0.00 H new ATOM 1120 N GLN A 89 8.023 4.717 3.931 1.00 0.00 N ATOM 1121 CA GLN A 89 8.043 3.370 4.460 1.00 0.00 C ATOM 1122 C GLN A 89 7.361 2.424 3.490 1.00 0.00 C ATOM 1123 O GLN A 89 6.144 2.457 3.325 1.00 0.00 O ATOM 1124 CB GLN A 89 7.366 3.313 5.822 1.00 0.00 C ATOM 1125 CG GLN A 89 8.175 3.971 6.922 1.00 0.00 C ATOM 1126 CD GLN A 89 7.385 4.104 8.205 1.00 0.00 C ATOM 1127 OE1 GLN A 89 6.712 5.108 8.432 1.00 0.00 O ATOM 1128 NE2 GLN A 89 7.452 3.085 9.051 1.00 0.00 N ATOM 0 H GLN A 89 7.286 5.314 4.307 1.00 0.00 H new ATOM 0 HA GLN A 89 9.081 3.062 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.392 3.799 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.185 2.271 6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.075 3.386 7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.500 4.958 6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.022 2.270 8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.933 3.116 9.929 1.00 0.00 H new ATOM 1137 N THR A 90 8.157 1.612 2.830 1.00 0.00 N ATOM 1138 CA THR A 90 7.649 0.651 1.889 1.00 0.00 C ATOM 1139 C THR A 90 7.340 -0.672 2.566 1.00 0.00 C ATOM 1140 O THR A 90 8.051 -1.106 3.477 1.00 0.00 O ATOM 1141 CB THR A 90 8.668 0.429 0.771 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.997 0.405 1.313 1.00 0.00 O ATOM 1143 CG2 THR A 90 8.553 1.524 -0.258 1.00 0.00 C ATOM 0 H THR A 90 9.172 1.603 2.933 1.00 0.00 H new ATOM 0 HA THR A 90 6.723 1.046 1.470 1.00 0.00 H new ATOM 0 HB THR A 90 8.463 -0.529 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.643 0.261 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.283 1.357 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.549 1.520 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.744 2.488 0.214 1.00 0.00 H new ATOM 1151 N LEU A 91 6.261 -1.295 2.127 1.00 0.00 N ATOM 1152 CA LEU A 91 5.905 -2.614 2.594 1.00 0.00 C ATOM 1153 C LEU A 91 6.490 -3.642 1.650 1.00 0.00 C ATOM 1154 O LEU A 91 6.091 -3.729 0.491 1.00 0.00 O ATOM 1155 CB LEU A 91 4.392 -2.806 2.654 1.00 0.00 C ATOM 1156 CG LEU A 91 3.960 -4.097 3.352 1.00 0.00 C ATOM 1157 CD1 LEU A 91 4.037 -3.932 4.849 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.564 -4.535 2.957 1.00 0.00 C ATOM 0 H LEU A 91 5.615 -0.901 1.443 1.00 0.00 H new ATOM 0 HA LEU A 91 6.303 -2.734 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.948 -1.957 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.994 -2.802 1.639 1.00 0.00 H new ATOM 0 HG LEU A 91 4.650 -4.877 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.727 -4.858 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.062 -3.697 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.378 -3.121 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.309 -5.456 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.849 -3.756 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.528 -4.709 1.882 1.00 0.00 H new ATOM 1170 N THR A 92 7.439 -4.394 2.139 1.00 0.00 N ATOM 1171 CA THR A 92 8.057 -5.437 1.362 1.00 0.00 C ATOM 1172 C THR A 92 7.576 -6.776 1.876 1.00 0.00 C ATOM 1173 O THR A 92 7.960 -7.209 2.959 1.00 0.00 O ATOM 1174 CB THR A 92 9.585 -5.362 1.465 1.00 0.00 C ATOM 1175 OG1 THR A 92 10.009 -4.005 1.268 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.240 -6.254 0.426 1.00 0.00 C ATOM 0 H THR A 92 7.806 -4.302 3.086 1.00 0.00 H new ATOM 0 HA THR A 92 7.781 -5.313 0.315 1.00 0.00 H new ATOM 0 HB THR A 92 9.885 -5.706 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.725 -3.980 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.324 -6.185 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.928 -7.286 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.939 -5.933 -0.571 1.00 0.00 H new ATOM 1184 N LEU A 93 6.709 -7.418 1.131 1.00 0.00 N ATOM 1185 CA LEU A 93 6.133 -8.649 1.612 1.00 0.00 C ATOM 1186 C LEU A 93 7.014 -9.829 1.242 1.00 0.00 C ATOM 1187 O LEU A 93 7.246 -10.099 0.063 1.00 0.00 O ATOM 1188 CB LEU A 93 4.717 -8.850 1.092 1.00 0.00 C ATOM 1189 CG LEU A 93 3.836 -9.567 2.074 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.616 -8.683 3.281 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.525 -9.951 1.457 1.00 0.00 C ATOM 0 H LEU A 93 6.392 -7.117 0.209 1.00 0.00 H new ATOM 0 HA LEU A 93 6.075 -8.584 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.279 -7.880 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.753 -9.416 0.161 1.00 0.00 H new ATOM 0 HG LEU A 93 4.331 -10.488 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.977 -9.198 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.575 -8.458 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.137 -7.755 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.913 -10.468 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.006 -9.054 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.702 -10.610 0.607 1.00 0.00 H new ATOM 1203 N THR A 94 7.507 -10.515 2.264 1.00 0.00 N ATOM 1204 CA THR A 94 8.442 -11.586 2.097 1.00 0.00 C ATOM 1205 C THR A 94 7.749 -12.949 2.219 1.00 0.00 C ATOM 1206 O THR A 94 7.110 -13.252 3.240 1.00 0.00 O ATOM 1207 CB THR A 94 9.545 -11.441 3.153 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.325 -10.267 2.898 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.423 -12.656 3.163 1.00 0.00 C ATOM 0 H THR A 94 7.258 -10.331 3.236 1.00 0.00 H new ATOM 0 HA THR A 94 8.877 -11.534 1.099 1.00 0.00 H new ATOM 0 HB THR A 94 9.077 -11.344 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.181 -9.616 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.200 -12.537 3.918 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.824 -13.536 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.884 -12.780 2.183 1.00 0.00 H new ATOM 1217 N PHE A 95 7.882 -13.754 1.166 1.00 0.00 N ATOM 1218 CA PHE A 95 7.254 -15.070 1.100 1.00 0.00 C ATOM 1219 C PHE A 95 8.298 -16.177 1.036 1.00 0.00 C ATOM 1220 O PHE A 95 9.332 -16.032 0.384 1.00 0.00 O ATOM 1221 CB PHE A 95 6.351 -15.169 -0.131 1.00 0.00 C ATOM 1222 CG PHE A 95 5.083 -14.383 -0.024 1.00 0.00 C ATOM 1223 CD1 PHE A 95 4.009 -14.904 0.662 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.959 -13.140 -0.615 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.829 -14.209 0.769 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.776 -12.433 -0.515 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.708 -12.975 0.179 1.00 0.00 C ATOM 0 H PHE A 95 8.426 -13.512 0.338 1.00 0.00 H new ATOM 0 HA PHE A 95 6.660 -15.194 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.906 -14.825 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.103 -16.216 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.096 -15.876 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.792 -12.719 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.999 -14.632 1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.685 -11.461 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.780 -12.428 0.256 1.00 0.00 H new ATOM 1237 N ASN A 96 8.025 -17.274 1.735 1.00 0.00 N ATOM 1238 CA ASN A 96 8.882 -18.456 1.685 1.00 0.00 C ATOM 1239 C ASN A 96 8.668 -19.238 0.390 1.00 0.00 C ATOM 1240 O ASN A 96 7.867 -18.833 -0.457 1.00 0.00 O ATOM 1241 CB ASN A 96 8.657 -19.363 2.905 1.00 0.00 C ATOM 1242 CG ASN A 96 7.214 -19.804 3.081 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.470 -19.975 2.112 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.806 -19.985 4.328 1.00 0.00 N ATOM 0 H ASN A 96 7.214 -17.370 2.346 1.00 0.00 H new ATOM 0 HA ASN A 96 9.915 -18.109 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.289 -20.246 2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.978 -18.835 3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.846 -20.276 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.452 -19.833 5.103 1.00 0.00 H new ATOM 1251 N SER A 97 9.355 -20.368 0.260 1.00 0.00 N ATOM 1252 CA SER A 97 9.313 -21.175 -0.956 1.00 0.00 C ATOM 1253 C SER A 97 7.878 -21.551 -1.363 1.00 0.00 C ATOM 1254 O SER A 97 7.544 -21.541 -2.553 1.00 0.00 O ATOM 1255 CB SER A 97 10.163 -22.438 -0.761 1.00 0.00 C ATOM 1256 OG SER A 97 10.328 -23.153 -1.978 1.00 0.00 O ATOM 0 H SER A 97 9.955 -20.750 0.991 1.00 0.00 H new ATOM 0 HA SER A 97 9.722 -20.574 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.141 -22.161 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.691 -23.084 -0.021 1.00 0.00 H new ATOM 0 HG SER A 97 10.875 -23.950 -1.818 1.00 0.00 H new ATOM 1262 N SER A 98 7.023 -21.850 -0.384 1.00 0.00 N ATOM 1263 CA SER A 98 5.685 -22.319 -0.663 1.00 0.00 C ATOM 1264 C SER A 98 4.738 -21.169 -1.011 1.00 0.00 C ATOM 1265 O SER A 98 3.576 -21.395 -1.353 1.00 0.00 O ATOM 1266 CB SER A 98 5.172 -23.073 0.557 1.00 0.00 C ATOM 1267 OG SER A 98 6.011 -24.173 0.873 1.00 0.00 O ATOM 0 H SER A 98 7.244 -21.772 0.609 1.00 0.00 H new ATOM 0 HA SER A 98 5.719 -22.977 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.119 -22.396 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.159 -23.428 0.368 1.00 0.00 H new ATOM 0 HG SER A 98 5.659 -24.637 1.661 1.00 0.00 H new ATOM 1273 N GLY A 99 5.239 -19.942 -0.932 1.00 0.00 N ATOM 1274 CA GLY A 99 4.409 -18.788 -1.213 1.00 0.00 C ATOM 1275 C GLY A 99 3.611 -18.360 0.000 1.00 0.00 C ATOM 1276 O GLY A 99 2.525 -17.791 -0.124 1.00 0.00 O ATOM 0 H GLY A 99 6.203 -19.727 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.037 -17.961 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.728 -19.021 -2.032 1.00 0.00 H new ATOM 1280 N VAL A 100 4.155 -18.644 1.174 1.00 0.00 N ATOM 1281 CA VAL A 100 3.501 -18.316 2.432 1.00 0.00 C ATOM 1282 C VAL A 100 4.206 -17.135 3.089 1.00 0.00 C ATOM 1283 O VAL A 100 5.433 -17.030 3.026 1.00 0.00 O ATOM 1284 CB VAL A 100 3.527 -19.519 3.399 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.570 -19.303 4.563 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.205 -20.808 2.658 1.00 0.00 C ATOM 0 H VAL A 100 5.058 -19.106 1.282 1.00 0.00 H new ATOM 0 HA VAL A 100 2.464 -18.059 2.216 1.00 0.00 H new ATOM 0 HB VAL A 100 4.533 -19.606 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.607 -20.165 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.861 -18.407 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.556 -19.182 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.228 -21.645 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.213 -20.734 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.943 -20.970 1.873 1.00 0.00 H new ATOM 1296 N LEU A 101 3.433 -16.236 3.689 1.00 0.00 N ATOM 1297 CA LEU A 101 3.981 -15.079 4.369 1.00 0.00 C ATOM 1298 C LEU A 101 4.906 -15.466 5.498 1.00 0.00 C ATOM 1299 O LEU A 101 4.541 -16.231 6.391 1.00 0.00 O ATOM 1300 CB LEU A 101 2.864 -14.208 4.912 1.00 0.00 C ATOM 1301 CG LEU A 101 2.509 -13.037 4.022 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.424 -12.204 4.660 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.735 -12.194 3.753 1.00 0.00 C ATOM 0 H LEU A 101 2.415 -16.292 3.715 1.00 0.00 H new ATOM 0 HA LEU A 101 4.562 -14.523 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.976 -14.823 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.155 -13.831 5.892 1.00 0.00 H new ATOM 0 HG LEU A 101 2.136 -13.420 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.179 -11.365 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.536 -12.818 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.773 -11.827 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.466 -11.355 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.132 -11.817 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.493 -12.801 3.257 1.00 0.00 H new ATOM 1315 N THR A 102 6.104 -14.922 5.446 1.00 0.00 N ATOM 1316 CA THR A 102 7.083 -15.130 6.498 1.00 0.00 C ATOM 1317 C THR A 102 7.316 -13.845 7.262 1.00 0.00 C ATOM 1318 O THR A 102 7.510 -13.855 8.478 1.00 0.00 O ATOM 1319 CB THR A 102 8.417 -15.632 5.926 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.115 -14.566 5.272 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.160 -16.720 4.917 1.00 0.00 C ATOM 0 H THR A 102 6.427 -14.328 4.682 1.00 0.00 H new ATOM 0 HA THR A 102 6.686 -15.889 7.173 1.00 0.00 H new ATOM 0 HB THR A 102 9.020 -16.013 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 102 10.026 -14.856 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.109 -17.074 4.513 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.640 -17.548 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.545 -16.327 4.107 1.00 0.00 H new ATOM 1329 N ASN A 103 7.295 -12.733 6.544 1.00 0.00 N ATOM 1330 CA ASN A 103 7.435 -11.433 7.188 1.00 0.00 C ATOM 1331 C ASN A 103 6.757 -10.334 6.387 1.00 0.00 C ATOM 1332 O ASN A 103 6.606 -10.430 5.166 1.00 0.00 O ATOM 1333 CB ASN A 103 8.910 -11.076 7.375 1.00 0.00 C ATOM 1334 CG ASN A 103 9.105 -9.832 8.233 1.00 0.00 C ATOM 1335 OD1 ASN A 103 8.312 -9.553 9.137 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.149 -9.070 7.955 1.00 0.00 N ATOM 0 H ASN A 103 7.184 -12.701 5.531 1.00 0.00 H new ATOM 0 HA ASN A 103 6.950 -11.507 8.161 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.428 -11.917 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.368 -10.916 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.319 -8.221 8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.784 -9.331 7.201 1.00 0.00 H new ATOM 1343 N ILE A 104 6.345 -9.298 7.099 1.00 0.00 N ATOM 1344 CA ILE A 104 5.837 -8.086 6.489 1.00 0.00 C ATOM 1345 C ILE A 104 6.892 -6.999 6.693 1.00 0.00 C ATOM 1346 O ILE A 104 6.898 -6.327 7.727 1.00 0.00 O ATOM 1347 CB ILE A 104 4.517 -7.615 7.157 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.658 -8.797 7.635 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.724 -6.719 6.213 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.059 -9.648 6.538 1.00 0.00 C ATOM 0 H ILE A 104 6.355 -9.276 8.119 1.00 0.00 H new ATOM 0 HA ILE A 104 5.633 -8.276 5.435 1.00 0.00 H new ATOM 0 HB ILE A 104 4.790 -7.036 8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.270 -9.435 8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.849 -8.409 8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.803 -6.401 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.320 -5.843 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.481 -7.271 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.473 -10.453 6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.414 -9.032 5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.858 -10.073 5.930 1.00 0.00 H new ATOM 1362 N ASP A 105 7.786 -6.834 5.728 1.00 0.00 N ATOM 1363 CA ASP A 105 8.910 -5.917 5.874 1.00 0.00 C ATOM 1364 C ASP A 105 8.471 -4.478 5.654 1.00 0.00 C ATOM 1365 O ASP A 105 8.392 -4.016 4.520 1.00 0.00 O ATOM 1366 CB ASP A 105 10.013 -6.264 4.868 1.00 0.00 C ATOM 1367 CG ASP A 105 10.792 -7.515 5.219 1.00 0.00 C ATOM 1368 OD1 ASP A 105 10.269 -8.633 5.028 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.946 -7.383 5.680 1.00 0.00 O ATOM 0 H ASP A 105 7.755 -7.324 4.834 1.00 0.00 H new ATOM 0 HA ASP A 105 9.293 -6.020 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.565 -6.391 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.705 -5.425 4.798 1.00 0.00 H new ATOM 1374 N ASN A 106 8.186 -3.764 6.728 1.00 0.00 N ATOM 1375 CA ASN A 106 7.812 -2.373 6.618 1.00 0.00 C ATOM 1376 C ASN A 106 8.890 -1.484 7.213 1.00 0.00 C ATOM 1377 O ASN A 106 9.093 -1.433 8.426 1.00 0.00 O ATOM 1378 CB ASN A 106 6.450 -2.120 7.267 1.00 0.00 C ATOM 1379 CG ASN A 106 6.361 -2.536 8.726 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.609 -1.737 9.628 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.997 -3.788 8.968 1.00 0.00 N ATOM 0 H ASN A 106 8.207 -4.126 7.681 1.00 0.00 H new ATOM 0 HA ASN A 106 7.719 -2.122 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.216 -1.058 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.687 -2.656 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.914 -4.118 9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.800 -4.421 8.193 1.00 0.00 H new ATOM 1388 N LYS A 107 9.605 -0.811 6.337 1.00 0.00 N ATOM 1389 CA LYS A 107 10.692 0.061 6.740 1.00 0.00 C ATOM 1390 C LYS A 107 10.801 1.227 5.756 1.00 0.00 C ATOM 1391 O LYS A 107 10.172 1.195 4.702 1.00 0.00 O ATOM 1392 CB LYS A 107 12.009 -0.727 6.791 1.00 0.00 C ATOM 1393 CG LYS A 107 12.679 -0.897 5.442 1.00 0.00 C ATOM 1394 CD LYS A 107 12.079 -2.035 4.628 1.00 0.00 C ATOM 1395 CE LYS A 107 12.810 -2.203 3.304 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.352 -3.404 2.554 1.00 0.00 N ATOM 0 H LYS A 107 9.452 -0.851 5.329 1.00 0.00 H new ATOM 0 HA LYS A 107 10.491 0.456 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.698 -0.219 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.815 -1.712 7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.593 0.032 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.743 -1.083 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.134 -2.963 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.023 -1.837 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.656 -1.315 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.881 -2.280 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.988 -3.573 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.363 -4.232 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.385 -3.247 2.205 1.00 0.00 H new ATOM 1410 N PRO A 108 11.588 2.269 6.079 1.00 0.00 N ATOM 1411 CA PRO A 108 11.754 3.411 5.190 1.00 0.00 C ATOM 1412 C PRO A 108 12.608 3.059 3.979 1.00 0.00 C ATOM 1413 O PRO A 108 13.514 2.224 4.060 1.00 0.00 O ATOM 1414 CB PRO A 108 12.444 4.468 6.050 1.00 0.00 C ATOM 1415 CG PRO A 108 13.025 3.753 7.224 1.00 0.00 C ATOM 1416 CD PRO A 108 12.379 2.395 7.310 1.00 0.00 C ATOM 0 HA PRO A 108 10.800 3.754 4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 108 13.223 4.979 5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 108 11.733 5.229 6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 108 14.105 3.655 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 108 12.848 4.318 8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 108 13.128 1.606 7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 108 11.747 2.314 8.195 1.00 0.00 H new ATOM 1424 N ALA A 109 12.302 3.688 2.859 1.00 0.00 N ATOM 1425 CA ALA A 109 12.972 3.398 1.609 1.00 0.00 C ATOM 1426 C ALA A 109 14.389 3.924 1.580 1.00 0.00 C ATOM 1427 O ALA A 109 14.836 4.646 2.475 1.00 0.00 O ATOM 1428 CB ALA A 109 12.197 3.949 0.438 1.00 0.00 C ATOM 0 H ALA A 109 11.585 4.411 2.792 1.00 0.00 H new ATOM 0 HA ALA A 109 13.019 2.312 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.723 3.717 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 109 11.205 3.499 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 109 12.103 5.030 0.540 1.00 0.00 H new ATOM 1434 N LEU A 110 15.069 3.571 0.513 1.00 0.00 N ATOM 1435 CA LEU A 110 16.488 3.804 0.381 1.00 0.00 C ATOM 1436 C LEU A 110 16.759 5.157 -0.248 1.00 0.00 C ATOM 1437 O LEU A 110 16.477 5.377 -1.428 1.00 0.00 O ATOM 1438 CB LEU A 110 17.079 2.698 -0.476 1.00 0.00 C ATOM 1439 CG LEU A 110 16.468 1.319 -0.218 1.00 0.00 C ATOM 1440 CD1 LEU A 110 16.956 0.311 -1.237 1.00 0.00 C ATOM 1441 CD2 LEU A 110 16.794 0.828 1.183 1.00 0.00 C ATOM 0 H LEU A 110 14.649 3.110 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 110 16.950 3.801 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.943 2.954 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.153 2.648 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 110 15.387 1.420 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.507 -0.661 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 110 16.672 0.638 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.041 0.229 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 110 16.347 -0.154 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 110 17.875 0.757 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 110 16.394 1.528 1.916 1.00 0.00 H new ATOM 1453 N SER A 111 17.307 6.054 0.547 1.00 0.00 N ATOM 1454 CA SER A 111 17.660 7.374 0.097 1.00 0.00 C ATOM 1455 C SER A 111 19.051 7.363 -0.529 1.00 0.00 C ATOM 1456 O SER A 111 19.592 8.401 -0.908 1.00 0.00 O ATOM 1457 CB SER A 111 17.619 8.323 1.288 1.00 0.00 C ATOM 1458 OG SER A 111 16.460 8.103 2.076 1.00 0.00 O ATOM 0 H SER A 111 17.519 5.880 1.530 1.00 0.00 H new ATOM 0 HA SER A 111 16.952 7.708 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 111 18.510 8.183 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 111 17.633 9.354 0.936 1.00 0.00 H new ATOM 0 HG SER A 111 15.729 8.668 1.748 1.00 0.00 H new ATOM 1464 N GLY A 112 19.616 6.172 -0.627 1.00 0.00 N ATOM 1465 CA GLY A 112 20.927 6.005 -1.212 1.00 0.00 C ATOM 1466 C GLY A 112 20.860 5.308 -2.544 1.00 0.00 C ATOM 1467 O GLY A 112 20.531 5.914 -3.567 1.00 0.00 O ATOM 0 H GLY A 112 19.182 5.306 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 112 21.397 6.981 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 112 21.558 5.431 -0.533 1.00 0.00 H new ATOM 1471 N ASN A 113 21.162 4.032 -2.521 1.00 0.00 N ATOM 1472 CA ASN A 113 21.120 3.201 -3.717 1.00 0.00 C ATOM 1473 C ASN A 113 20.349 1.919 -3.433 1.00 0.00 C ATOM 1474 O ASN A 113 19.618 1.451 -4.330 1.00 0.00 O ATOM 1475 CB ASN A 113 22.537 2.878 -4.214 1.00 0.00 C ATOM 1476 CG ASN A 113 23.220 1.786 -3.414 1.00 0.00 C ATOM 1477 OD1 ASN A 113 23.194 0.612 -3.788 1.00 0.00 O ATOM 1478 ND2 ASN A 113 23.828 2.163 -2.302 1.00 0.00 N ATOM 1479 OXT ASN A 113 20.451 1.401 -2.301 1.00 0.00 O ATOM 0 H ASN A 113 21.445 3.534 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 113 20.608 3.755 -4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 113 22.487 2.575 -5.260 1.00 0.00 H new ATOM 0 HB3 ASN A 113 23.144 3.783 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 113 24.299 1.471 -1.718 1.00 0.00 H new ATOM 0 HD22 ASN A 113 23.826 3.145 -2.028 1.00 0.00 H new TER 1486 ASN A 113