USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 756 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00739 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.446 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -2.04 (180deg=-2.82!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc=-0.00431 (180deg=-0.0585) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.282 K(o=-0.28,f=-2.5!) USER MOD Single : A 46 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.029) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0.28 (180deg=0.269) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 58 HIS : no HD1:sc= -8.98! C(o=-9!,f=-8.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.268 USER MOD Single : A 62 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.16) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.4) USER MOD Single : A 70 CYS SG : rot 23:sc= -2.74! USER MOD Single : A 71 GLN : amide:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 72 MET CE :methyl 169:sc= 0 (180deg=-0.138) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 76:sc= 0.00767 USER MOD Single : A 78 TYR OH : rot 109:sc= 0.092 USER MOD Single : A 79 TYR OH : rot 92:sc= 0.522 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot -150:sc= 0.0776 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -154:sc= 1.58 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.067 5.871 -11.089 1.00 0.00 N ATOM 2 CA GLY A 1 -29.457 4.900 -12.094 1.00 0.00 C ATOM 3 C GLY A 1 -28.295 4.039 -12.549 1.00 0.00 C ATOM 4 O GLY A 1 -27.452 4.483 -13.328 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.896 6.435 -10.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.690 5.376 -10.256 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.336 6.500 -11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.243 4.261 -11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.878 5.421 -12.954 1.00 0.00 H new ATOM 8 N SER A 2 -28.250 2.803 -12.062 1.00 0.00 N ATOM 9 CA SER A 2 -27.180 1.879 -12.419 1.00 0.00 C ATOM 10 C SER A 2 -27.072 1.732 -13.934 1.00 0.00 C ATOM 11 O SER A 2 -28.035 1.355 -14.602 1.00 0.00 O ATOM 12 CB SER A 2 -27.423 0.512 -11.778 1.00 0.00 C ATOM 13 OG SER A 2 -27.088 0.526 -10.401 1.00 0.00 O ATOM 0 H SER A 2 -28.942 2.418 -11.419 1.00 0.00 H new ATOM 0 HA SER A 2 -26.241 2.286 -12.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.470 0.232 -11.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.830 -0.244 -12.292 1.00 0.00 H new ATOM 0 HG SER A 2 -27.254 -0.359 -10.015 1.00 0.00 H new ATOM 19 N SER A 3 -25.893 2.033 -14.469 1.00 0.00 N ATOM 20 CA SER A 3 -25.659 1.939 -15.905 1.00 0.00 C ATOM 21 C SER A 3 -24.165 1.931 -16.212 1.00 0.00 C ATOM 22 O SER A 3 -23.361 2.473 -15.455 1.00 0.00 O ATOM 23 CB SER A 3 -26.335 3.103 -16.631 1.00 0.00 C ATOM 24 OG SER A 3 -25.993 3.114 -18.006 1.00 0.00 O ATOM 0 H SER A 3 -25.085 2.344 -13.930 1.00 0.00 H new ATOM 0 HA SER A 3 -26.090 1.002 -16.258 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.417 3.024 -16.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.036 4.045 -16.171 1.00 0.00 H new ATOM 0 HG SER A 3 -26.439 3.866 -18.448 1.00 0.00 H new ATOM 30 N GLY A 4 -23.800 1.312 -17.331 1.00 0.00 N ATOM 31 CA GLY A 4 -22.403 1.245 -17.720 1.00 0.00 C ATOM 32 C GLY A 4 -21.630 0.210 -16.928 1.00 0.00 C ATOM 33 O GLY A 4 -21.712 0.170 -15.700 1.00 0.00 O ATOM 0 H GLY A 4 -24.446 0.856 -17.975 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.336 1.010 -18.782 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.943 2.223 -17.580 1.00 0.00 H new ATOM 37 N SER A 5 -20.877 -0.630 -17.631 1.00 0.00 N ATOM 38 CA SER A 5 -20.090 -1.674 -16.985 1.00 0.00 C ATOM 39 C SER A 5 -19.284 -1.105 -15.822 1.00 0.00 C ATOM 40 O SER A 5 -18.508 -0.165 -15.991 1.00 0.00 O ATOM 41 CB SER A 5 -19.151 -2.334 -17.997 1.00 0.00 C ATOM 42 OG SER A 5 -18.218 -3.181 -17.350 1.00 0.00 O ATOM 0 H SER A 5 -20.795 -0.608 -18.647 1.00 0.00 H new ATOM 0 HA SER A 5 -20.778 -2.425 -16.595 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.733 -2.911 -18.716 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.620 -1.566 -18.560 1.00 0.00 H new ATOM 0 HG SER A 5 -17.631 -3.592 -18.018 1.00 0.00 H new ATOM 48 N SER A 6 -19.474 -1.683 -14.640 1.00 0.00 N ATOM 49 CA SER A 6 -18.768 -1.232 -13.446 1.00 0.00 C ATOM 50 C SER A 6 -17.504 -2.056 -13.219 1.00 0.00 C ATOM 51 O SER A 6 -17.520 -3.052 -12.497 1.00 0.00 O ATOM 52 CB SER A 6 -19.680 -1.328 -12.222 1.00 0.00 C ATOM 53 OG SER A 6 -19.166 -0.567 -11.142 1.00 0.00 O ATOM 0 H SER A 6 -20.111 -2.464 -14.484 1.00 0.00 H new ATOM 0 HA SER A 6 -18.480 -0.191 -13.595 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.678 -0.972 -12.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.781 -2.371 -11.921 1.00 0.00 H new ATOM 0 HG SER A 6 -19.768 -0.644 -10.372 1.00 0.00 H new ATOM 59 N GLY A 7 -16.408 -1.631 -13.841 1.00 0.00 N ATOM 60 CA GLY A 7 -15.150 -2.340 -13.695 1.00 0.00 C ATOM 61 C GLY A 7 -14.037 -1.446 -13.186 1.00 0.00 C ATOM 62 O GLY A 7 -13.145 -1.063 -13.942 1.00 0.00 O ATOM 0 H GLY A 7 -16.369 -0.809 -14.443 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.285 -3.175 -13.007 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.861 -2.763 -14.657 1.00 0.00 H new ATOM 66 N ALA A 8 -14.090 -1.112 -11.901 1.00 0.00 N ATOM 67 CA ALA A 8 -13.078 -0.258 -11.292 1.00 0.00 C ATOM 68 C ALA A 8 -13.266 -0.176 -9.781 1.00 0.00 C ATOM 69 O ALA A 8 -14.283 0.321 -9.299 1.00 0.00 O ATOM 70 CB ALA A 8 -13.121 1.133 -11.907 1.00 0.00 C ATOM 0 H ALA A 8 -14.823 -1.420 -11.262 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.101 -0.699 -11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.360 1.760 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.930 1.063 -12.978 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.104 1.574 -11.742 1.00 0.00 H new ATOM 76 N ALA A 9 -12.279 -0.667 -9.038 1.00 0.00 N ATOM 77 CA ALA A 9 -12.336 -0.647 -7.582 1.00 0.00 C ATOM 78 C ALA A 9 -11.365 0.379 -7.008 1.00 0.00 C ATOM 79 O ALA A 9 -11.654 1.028 -6.003 1.00 0.00 O ATOM 80 CB ALA A 9 -12.036 -2.031 -7.024 1.00 0.00 C ATOM 0 H ALA A 9 -11.430 -1.083 -9.421 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.345 -0.358 -7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.082 -2.002 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.772 -2.742 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.039 -2.341 -7.337 1.00 0.00 H new ATOM 86 N PHE A 10 -10.211 0.521 -7.653 1.00 0.00 N ATOM 87 CA PHE A 10 -9.197 1.467 -7.206 1.00 0.00 C ATOM 88 C PHE A 10 -9.295 2.778 -7.981 1.00 0.00 C ATOM 89 O PHE A 10 -9.130 2.804 -9.200 1.00 0.00 O ATOM 90 CB PHE A 10 -7.799 0.867 -7.373 1.00 0.00 C ATOM 91 CG PHE A 10 -7.425 -0.095 -6.282 1.00 0.00 C ATOM 92 CD1 PHE A 10 -7.070 0.367 -5.025 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.430 -1.461 -6.512 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.725 -0.516 -4.019 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.086 -2.349 -5.510 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.734 -1.875 -4.262 1.00 0.00 C ATOM 0 H PHE A 10 -9.956 -0.008 -8.487 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.372 1.675 -6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.745 0.354 -8.333 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.067 1.674 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.063 1.429 -4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.706 -1.837 -7.486 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.449 -0.143 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.093 -3.412 -5.703 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.466 -2.566 -3.477 1.00 0.00 H new ATOM 106 N ALA A 11 -9.567 3.864 -7.264 1.00 0.00 N ATOM 107 CA ALA A 11 -9.686 5.178 -7.884 1.00 0.00 C ATOM 108 C ALA A 11 -8.318 5.733 -8.262 1.00 0.00 C ATOM 109 O ALA A 11 -8.185 6.478 -9.233 1.00 0.00 O ATOM 110 CB ALA A 11 -10.407 6.138 -6.949 1.00 0.00 C ATOM 0 H ALA A 11 -9.709 3.860 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.270 5.070 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.489 7.116 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.404 5.755 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.845 6.232 -6.020 1.00 0.00 H new ATOM 116 N LYS A 12 -7.301 5.366 -7.490 1.00 0.00 N ATOM 117 CA LYS A 12 -5.941 5.826 -7.744 1.00 0.00 C ATOM 118 C LYS A 12 -4.921 4.784 -7.297 1.00 0.00 C ATOM 119 O LYS A 12 -4.762 4.530 -6.102 1.00 0.00 O ATOM 120 CB LYS A 12 -5.685 7.149 -7.019 1.00 0.00 C ATOM 121 CG LYS A 12 -4.359 7.795 -7.383 1.00 0.00 C ATOM 122 CD LYS A 12 -4.316 9.255 -6.962 1.00 0.00 C ATOM 123 CE LYS A 12 -3.187 10.002 -7.656 1.00 0.00 C ATOM 124 NZ LYS A 12 -3.171 11.446 -7.291 1.00 0.00 N ATOM 0 H LYS A 12 -7.393 4.750 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.831 5.979 -8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.493 7.843 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.712 6.975 -5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.545 7.253 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.200 7.721 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.268 9.731 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.186 9.320 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.233 9.549 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.295 9.901 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.388 11.920 -7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.072 11.885 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.042 11.543 -6.264 1.00 0.00 H new ATOM 138 N ILE A 13 -4.233 4.184 -8.262 1.00 0.00 N ATOM 139 CA ILE A 13 -3.227 3.171 -7.967 1.00 0.00 C ATOM 140 C ILE A 13 -1.924 3.810 -7.501 1.00 0.00 C ATOM 141 O ILE A 13 -1.769 5.032 -7.543 1.00 0.00 O ATOM 142 CB ILE A 13 -2.942 2.286 -9.195 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.495 3.147 -10.378 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.174 1.473 -9.560 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.769 2.368 -11.452 1.00 0.00 C ATOM 0 H ILE A 13 -4.354 4.382 -9.255 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.630 2.549 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.136 1.595 -8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.369 3.628 -10.817 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.843 3.941 -10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.956 0.853 -10.430 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.451 0.836 -8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.999 2.147 -9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.482 3.042 -12.259 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.876 1.909 -11.028 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.425 1.591 -11.844 1.00 0.00 H new ATOM 157 N LEU A 14 -0.988 2.978 -7.058 1.00 0.00 N ATOM 158 CA LEU A 14 0.304 3.461 -6.585 1.00 0.00 C ATOM 159 C LEU A 14 1.270 3.662 -7.749 1.00 0.00 C ATOM 160 O LEU A 14 1.014 3.210 -8.865 1.00 0.00 O ATOM 161 CB LEU A 14 0.901 2.478 -5.576 1.00 0.00 C ATOM 162 CG LEU A 14 -0.003 2.085 -4.407 1.00 0.00 C ATOM 163 CD1 LEU A 14 -0.805 0.839 -4.748 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.822 1.863 -3.147 1.00 0.00 C ATOM 0 H LEU A 14 -1.100 1.965 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 14 0.147 4.423 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.188 1.571 -6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.815 2.913 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.701 2.901 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.442 0.574 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.424 1.033 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.124 0.015 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.163 1.584 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.544 1.065 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.351 2.781 -2.892 1.00 0.00 H new ATOM 176 N ASP A 15 2.380 4.340 -7.480 1.00 0.00 N ATOM 177 CA ASP A 15 3.386 4.597 -8.504 1.00 0.00 C ATOM 178 C ASP A 15 4.024 3.296 -8.979 1.00 0.00 C ATOM 179 O ASP A 15 4.113 2.315 -8.240 1.00 0.00 O ATOM 180 CB ASP A 15 4.462 5.541 -7.966 1.00 0.00 C ATOM 181 CG ASP A 15 3.894 6.875 -7.522 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.839 7.278 -8.055 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.504 7.515 -6.640 1.00 0.00 O ATOM 0 H ASP A 15 2.606 4.722 -6.562 1.00 0.00 H new ATOM 0 HA ASP A 15 2.892 5.068 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.969 5.068 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.213 5.708 -8.738 1.00 0.00 H new ATOM 188 N PRO A 16 4.477 3.284 -10.241 1.00 0.00 N ATOM 189 CA PRO A 16 5.114 2.109 -10.843 1.00 0.00 C ATOM 190 C PRO A 16 6.486 1.823 -10.244 1.00 0.00 C ATOM 191 O PRO A 16 7.082 0.778 -10.504 1.00 0.00 O ATOM 192 CB PRO A 16 5.244 2.493 -12.319 1.00 0.00 C ATOM 193 CG PRO A 16 5.277 3.982 -12.321 1.00 0.00 C ATOM 194 CD PRO A 16 4.403 4.418 -11.178 1.00 0.00 C ATOM 0 HA PRO A 16 4.536 1.201 -10.674 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.150 2.076 -12.758 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.404 2.115 -12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.295 4.350 -12.196 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.909 4.379 -13.267 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.766 5.340 -10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.379 4.605 -11.503 1.00 0.00 H new ATOM 202 N ALA A 17 6.983 2.758 -9.440 1.00 0.00 N ATOM 203 CA ALA A 17 8.284 2.605 -8.803 1.00 0.00 C ATOM 204 C ALA A 17 8.554 3.743 -7.824 1.00 0.00 C ATOM 205 O ALA A 17 8.406 4.917 -8.166 1.00 0.00 O ATOM 206 CB ALA A 17 9.383 2.539 -9.854 1.00 0.00 C ATOM 0 H ALA A 17 6.503 3.630 -9.215 1.00 0.00 H new ATOM 0 HA ALA A 17 8.277 1.671 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.349 2.425 -9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.207 1.688 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.381 3.457 -10.441 1.00 0.00 H new ATOM 212 N TYR A 18 8.948 3.389 -6.606 1.00 0.00 N ATOM 213 CA TYR A 18 9.234 4.381 -5.577 1.00 0.00 C ATOM 214 C TYR A 18 10.735 4.485 -5.323 1.00 0.00 C ATOM 215 O TYR A 18 11.506 3.617 -5.733 1.00 0.00 O ATOM 216 CB TYR A 18 8.509 4.024 -4.278 1.00 0.00 C ATOM 217 CG TYR A 18 7.013 4.230 -4.344 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.219 3.446 -5.171 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.393 5.210 -3.577 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.852 3.632 -5.234 1.00 0.00 C ATOM 221 CE2 TYR A 18 5.026 5.401 -3.633 1.00 0.00 C ATOM 222 CZ TYR A 18 4.260 4.610 -4.464 1.00 0.00 C ATOM 223 OH TYR A 18 2.898 4.797 -4.523 1.00 0.00 O ATOM 0 H TYR A 18 9.077 2.422 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 18 8.876 5.348 -5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.713 2.982 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.915 4.628 -3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.678 2.678 -5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.990 5.832 -2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.250 3.014 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.559 6.165 -3.029 1.00 0.00 H new ATOM 0 HH TYR A 18 2.641 5.524 -3.918 1.00 0.00 H new ATOM 233 N GLN A 19 11.141 5.552 -4.643 1.00 0.00 N ATOM 234 CA GLN A 19 12.550 5.770 -4.333 1.00 0.00 C ATOM 235 C GLN A 19 12.709 6.479 -2.992 1.00 0.00 C ATOM 236 O GLN A 19 12.155 7.557 -2.779 1.00 0.00 O ATOM 237 CB GLN A 19 13.216 6.590 -5.440 1.00 0.00 C ATOM 238 CG GLN A 19 13.184 5.913 -6.801 1.00 0.00 C ATOM 239 CD GLN A 19 13.233 6.905 -7.946 1.00 0.00 C ATOM 240 OE1 GLN A 19 13.964 7.895 -7.895 1.00 0.00 O ATOM 241 NE2 GLN A 19 12.453 6.644 -8.989 1.00 0.00 N ATOM 0 H GLN A 19 10.515 6.279 -4.296 1.00 0.00 H new ATOM 0 HA GLN A 19 13.037 4.797 -4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.719 7.558 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.253 6.784 -5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.028 5.228 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.278 5.313 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.863 5.812 -8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.444 7.276 -9.790 1.00 0.00 H new ATOM 250 N VAL A 20 13.470 5.865 -2.091 1.00 0.00 N ATOM 251 CA VAL A 20 13.703 6.438 -0.771 1.00 0.00 C ATOM 252 C VAL A 20 15.115 6.135 -0.282 1.00 0.00 C ATOM 253 O VAL A 20 15.825 5.319 -0.870 1.00 0.00 O ATOM 254 CB VAL A 20 12.690 5.905 0.259 1.00 0.00 C ATOM 255 CG1 VAL A 20 13.097 4.521 0.742 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.561 6.870 1.428 1.00 0.00 C ATOM 0 H VAL A 20 13.935 4.971 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 20 13.578 7.517 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 20 11.716 5.823 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.369 4.161 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.133 3.836 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.081 4.573 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.841 6.477 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.530 6.986 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.219 7.839 1.064 1.00 0.00 H new ATOM 266 N ASP A 21 15.516 6.798 0.797 1.00 0.00 N ATOM 267 CA ASP A 21 16.844 6.599 1.367 1.00 0.00 C ATOM 268 C ASP A 21 16.818 5.515 2.440 1.00 0.00 C ATOM 269 O ASP A 21 15.821 5.346 3.143 1.00 0.00 O ATOM 270 CB ASP A 21 17.370 7.908 1.959 1.00 0.00 C ATOM 271 CG ASP A 21 17.592 8.972 0.903 1.00 0.00 C ATOM 272 OD1 ASP A 21 16.645 9.260 0.142 1.00 0.00 O ATOM 273 OD2 ASP A 21 18.714 9.517 0.837 1.00 0.00 O ATOM 0 H ASP A 21 14.941 7.478 1.295 1.00 0.00 H new ATOM 0 HA ASP A 21 17.511 6.277 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.662 8.278 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.308 7.717 2.481 1.00 0.00 H new ATOM 278 N LYS A 22 17.920 4.783 2.561 1.00 0.00 N ATOM 279 CA LYS A 22 18.025 3.715 3.549 1.00 0.00 C ATOM 280 C LYS A 22 17.551 4.192 4.918 1.00 0.00 C ATOM 281 O LYS A 22 17.516 5.391 5.191 1.00 0.00 O ATOM 282 CB LYS A 22 19.469 3.218 3.641 1.00 0.00 C ATOM 283 CG LYS A 22 19.666 2.106 4.657 1.00 0.00 C ATOM 284 CD LYS A 22 21.134 1.746 4.812 1.00 0.00 C ATOM 285 CE LYS A 22 21.550 0.664 3.826 1.00 0.00 C ATOM 286 NZ LYS A 22 21.261 1.056 2.419 1.00 0.00 N ATOM 0 H LYS A 22 18.754 4.910 1.987 1.00 0.00 H new ATOM 0 HA LYS A 22 17.385 2.893 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.785 2.863 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.117 4.055 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.263 2.417 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.105 1.225 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.746 2.635 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.320 1.403 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.616 0.463 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.025 -0.262 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.877 0.519 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.266 0.849 2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 21.438 2.074 2.299 1.00 0.00 H new ATOM 300 N GLY A 23 17.188 3.244 5.777 1.00 0.00 N ATOM 301 CA GLY A 23 16.723 3.587 7.108 1.00 0.00 C ATOM 302 C GLY A 23 15.858 4.832 7.116 1.00 0.00 C ATOM 303 O GLY A 23 15.878 5.603 8.075 1.00 0.00 O ATOM 0 H GLY A 23 17.208 2.244 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.156 2.751 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.582 3.741 7.761 1.00 0.00 H new ATOM 307 N GLY A 24 15.097 5.029 6.044 1.00 0.00 N ATOM 308 CA GLY A 24 14.233 6.192 5.952 1.00 0.00 C ATOM 309 C GLY A 24 12.768 5.840 6.110 1.00 0.00 C ATOM 310 O GLY A 24 12.417 4.945 6.880 1.00 0.00 O ATOM 0 H GLY A 24 15.063 4.405 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.515 6.912 6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.385 6.678 4.988 1.00 0.00 H new ATOM 314 N ARG A 25 11.909 6.545 5.381 1.00 0.00 N ATOM 315 CA ARG A 25 10.473 6.304 5.446 1.00 0.00 C ATOM 316 C ARG A 25 9.822 6.523 4.083 1.00 0.00 C ATOM 317 O ARG A 25 9.973 7.582 3.475 1.00 0.00 O ATOM 318 CB ARG A 25 9.826 7.222 6.485 1.00 0.00 C ATOM 319 CG ARG A 25 8.428 6.788 6.895 1.00 0.00 C ATOM 320 CD ARG A 25 7.659 7.929 7.543 1.00 0.00 C ATOM 321 NE ARG A 25 7.254 8.938 6.568 1.00 0.00 N ATOM 322 CZ ARG A 25 6.364 9.891 6.824 1.00 0.00 C ATOM 323 NH1 ARG A 25 5.790 9.964 8.017 1.00 0.00 N ATOM 324 NH2 ARG A 25 6.047 10.774 5.885 1.00 0.00 N ATOM 0 H ARG A 25 12.183 7.288 4.738 1.00 0.00 H new ATOM 0 HA ARG A 25 10.318 5.266 5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.460 7.258 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.780 8.235 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.885 6.432 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.495 5.951 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.775 7.533 8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.278 8.394 8.310 1.00 0.00 H new ATOM 0 HE ARG A 25 7.677 8.910 5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.031 9.288 8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.107 10.697 8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.487 10.721 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.364 11.505 6.082 1.00 0.00 H new ATOM 338 N VAL A 26 9.098 5.513 3.610 1.00 0.00 N ATOM 339 CA VAL A 26 8.424 5.595 2.319 1.00 0.00 C ATOM 340 C VAL A 26 6.967 6.010 2.486 1.00 0.00 C ATOM 341 O VAL A 26 6.426 5.984 3.592 1.00 0.00 O ATOM 342 CB VAL A 26 8.481 4.251 1.570 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.892 3.976 1.073 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.992 3.122 2.464 1.00 0.00 C ATOM 0 H VAL A 26 8.963 4.629 4.101 1.00 0.00 H new ATOM 0 HA VAL A 26 8.949 6.350 1.735 1.00 0.00 H new ATOM 0 HB VAL A 26 7.822 4.309 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.913 3.022 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.200 4.772 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.575 3.937 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.039 2.180 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.623 3.060 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.962 3.316 2.765 1.00 0.00 H new ATOM 354 N ARG A 27 6.336 6.392 1.381 1.00 0.00 N ATOM 355 CA ARG A 27 4.940 6.813 1.405 1.00 0.00 C ATOM 356 C ARG A 27 4.115 6.017 0.399 1.00 0.00 C ATOM 357 O ARG A 27 4.422 5.995 -0.793 1.00 0.00 O ATOM 358 CB ARG A 27 4.831 8.309 1.100 1.00 0.00 C ATOM 359 CG ARG A 27 3.408 8.839 1.155 1.00 0.00 C ATOM 360 CD ARG A 27 3.309 10.231 0.550 1.00 0.00 C ATOM 361 NE ARG A 27 4.199 11.181 1.213 1.00 0.00 N ATOM 362 CZ ARG A 27 4.447 12.401 0.751 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.875 12.818 -0.370 1.00 0.00 N ATOM 364 NH2 ARG A 27 5.269 13.207 1.410 1.00 0.00 N ATOM 0 H ARG A 27 6.769 6.419 0.458 1.00 0.00 H new ATOM 0 HA ARG A 27 4.546 6.623 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.444 8.862 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.243 8.500 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.745 8.160 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.068 8.866 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.555 10.183 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.281 10.586 0.623 1.00 0.00 H new ATOM 0 HE ARG A 27 4.655 10.891 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.243 12.201 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.067 13.756 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.711 12.890 2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.459 14.144 1.054 1.00 0.00 H new ATOM 378 N PHE A 28 3.065 5.364 0.887 1.00 0.00 N ATOM 379 CA PHE A 28 2.196 4.565 0.031 1.00 0.00 C ATOM 380 C PHE A 28 0.728 4.895 0.287 1.00 0.00 C ATOM 381 O PHE A 28 0.169 4.527 1.321 1.00 0.00 O ATOM 382 CB PHE A 28 2.444 3.074 0.266 1.00 0.00 C ATOM 383 CG PHE A 28 3.794 2.610 -0.201 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.179 2.775 -1.522 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.677 2.007 0.680 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.420 2.349 -1.955 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.920 1.580 0.252 1.00 0.00 C ATOM 388 CZ PHE A 28 6.292 1.750 -1.067 1.00 0.00 C ATOM 0 H PHE A 28 2.796 5.373 1.871 1.00 0.00 H new ATOM 0 HA PHE A 28 2.429 4.805 -1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.343 2.860 1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.673 2.500 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.501 3.242 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.391 1.869 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.708 2.484 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.600 1.113 0.949 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.262 1.415 -1.403 1.00 0.00 H new ATOM 398 N VAL A 29 0.110 5.591 -0.661 1.00 0.00 N ATOM 399 CA VAL A 29 -1.293 5.970 -0.540 1.00 0.00 C ATOM 400 C VAL A 29 -2.074 5.594 -1.794 1.00 0.00 C ATOM 401 O VAL A 29 -1.570 5.711 -2.911 1.00 0.00 O ATOM 402 CB VAL A 29 -1.446 7.482 -0.287 1.00 0.00 C ATOM 403 CG1 VAL A 29 -0.572 8.275 -1.247 1.00 0.00 C ATOM 404 CG2 VAL A 29 -2.903 7.898 -0.412 1.00 0.00 C ATOM 0 H VAL A 29 0.559 5.904 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.696 5.424 0.313 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.116 7.698 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.693 9.341 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.472 7.996 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.868 8.057 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.992 8.969 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.262 7.669 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.501 7.355 0.320 1.00 0.00 H new ATOM 414 N VAL A 30 -3.310 5.142 -1.601 1.00 0.00 N ATOM 415 CA VAL A 30 -4.163 4.751 -2.717 1.00 0.00 C ATOM 416 C VAL A 30 -5.566 5.327 -2.565 1.00 0.00 C ATOM 417 O VAL A 30 -5.906 5.891 -1.526 1.00 0.00 O ATOM 418 CB VAL A 30 -4.260 3.218 -2.838 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.903 2.622 -3.179 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.808 2.616 -1.553 1.00 0.00 C ATOM 0 H VAL A 30 -3.742 5.038 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.705 5.152 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.949 2.978 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.991 1.539 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.555 3.030 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.189 2.870 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.870 1.533 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.146 2.864 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.802 3.019 -1.357 1.00 0.00 H new ATOM 430 N GLU A 31 -6.376 5.182 -3.609 1.00 0.00 N ATOM 431 CA GLU A 31 -7.743 5.689 -3.591 1.00 0.00 C ATOM 432 C GLU A 31 -8.736 4.591 -3.960 1.00 0.00 C ATOM 433 O GLU A 31 -8.383 3.618 -4.627 1.00 0.00 O ATOM 434 CB GLU A 31 -7.886 6.867 -4.557 1.00 0.00 C ATOM 435 CG GLU A 31 -9.076 7.762 -4.254 1.00 0.00 C ATOM 436 CD GLU A 31 -9.290 8.827 -5.312 1.00 0.00 C ATOM 437 OE1 GLU A 31 -8.291 9.435 -5.751 1.00 0.00 O ATOM 438 OE2 GLU A 31 -10.455 9.052 -5.701 1.00 0.00 O ATOM 0 H GLU A 31 -6.109 4.718 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.964 6.029 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.975 7.465 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.980 6.483 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.974 7.150 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.928 8.241 -3.286 1.00 0.00 H new ATOM 445 N LEU A 32 -9.979 4.753 -3.520 1.00 0.00 N ATOM 446 CA LEU A 32 -11.024 3.776 -3.803 1.00 0.00 C ATOM 447 C LEU A 32 -12.270 4.457 -4.360 1.00 0.00 C ATOM 448 O LEU A 32 -12.732 5.464 -3.824 1.00 0.00 O ATOM 449 CB LEU A 32 -11.379 2.998 -2.534 1.00 0.00 C ATOM 450 CG LEU A 32 -10.200 2.445 -1.734 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.590 2.243 -0.278 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.708 1.140 -2.342 1.00 0.00 C ATOM 0 H LEU A 32 -10.288 5.552 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.645 3.083 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.960 3.651 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.026 2.166 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.387 3.170 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.738 1.849 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.893 3.197 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.419 1.538 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.868 0.761 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.515 0.408 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.387 1.315 -3.369 1.00 0.00 H new ATOM 464 N ALA A 33 -12.810 3.900 -5.439 1.00 0.00 N ATOM 465 CA ALA A 33 -14.005 4.451 -6.067 1.00 0.00 C ATOM 466 C ALA A 33 -15.170 4.495 -5.085 1.00 0.00 C ATOM 467 O ALA A 33 -16.063 5.334 -5.204 1.00 0.00 O ATOM 468 CB ALA A 33 -14.378 3.636 -7.296 1.00 0.00 C ATOM 0 H ALA A 33 -12.439 3.067 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.786 5.473 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.272 4.058 -7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.556 3.660 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.573 2.604 -7.003 1.00 0.00 H new ATOM 474 N ASP A 34 -15.156 3.586 -4.116 1.00 0.00 N ATOM 475 CA ASP A 34 -16.212 3.521 -3.112 1.00 0.00 C ATOM 476 C ASP A 34 -15.685 2.939 -1.805 1.00 0.00 C ATOM 477 O ASP A 34 -14.826 2.057 -1.792 1.00 0.00 O ATOM 478 CB ASP A 34 -17.382 2.679 -3.626 1.00 0.00 C ATOM 479 CG ASP A 34 -18.367 3.493 -4.441 1.00 0.00 C ATOM 480 OD1 ASP A 34 -19.187 4.215 -3.834 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.318 3.409 -5.686 1.00 0.00 O ATOM 0 H ASP A 34 -14.425 2.884 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.561 4.536 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.997 1.862 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.900 2.228 -2.780 1.00 0.00 H new ATOM 486 N PRO A 35 -16.210 3.442 -0.678 1.00 0.00 N ATOM 487 CA PRO A 35 -15.806 2.987 0.656 1.00 0.00 C ATOM 488 C PRO A 35 -16.281 1.569 0.952 1.00 0.00 C ATOM 489 O PRO A 35 -15.877 0.962 1.944 1.00 0.00 O ATOM 490 CB PRO A 35 -16.489 3.986 1.593 1.00 0.00 C ATOM 491 CG PRO A 35 -17.662 4.487 0.824 1.00 0.00 C ATOM 492 CD PRO A 35 -17.238 4.495 -0.619 1.00 0.00 C ATOM 0 HA PRO A 35 -14.722 2.953 0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.800 3.508 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.816 4.800 1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.529 3.844 0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.946 5.487 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -18.074 4.279 -1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.838 5.465 -0.915 1.00 0.00 H new ATOM 500 N LYS A 36 -17.141 1.044 0.085 1.00 0.00 N ATOM 501 CA LYS A 36 -17.671 -0.304 0.253 1.00 0.00 C ATOM 502 C LYS A 36 -16.579 -1.348 0.037 1.00 0.00 C ATOM 503 O LYS A 36 -16.623 -2.435 0.614 1.00 0.00 O ATOM 504 CB LYS A 36 -18.823 -0.546 -0.725 1.00 0.00 C ATOM 505 CG LYS A 36 -18.370 -0.760 -2.159 1.00 0.00 C ATOM 506 CD LYS A 36 -19.306 -1.694 -2.906 1.00 0.00 C ATOM 507 CE LYS A 36 -18.578 -2.449 -4.008 1.00 0.00 C ATOM 508 NZ LYS A 36 -19.221 -3.760 -4.301 1.00 0.00 N ATOM 0 H LYS A 36 -17.486 1.532 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.043 -0.398 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -19.389 -1.418 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.502 0.306 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.325 0.200 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.361 -1.173 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.747 -2.405 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.126 -1.120 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.561 -1.843 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.541 -2.611 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.695 -4.243 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.215 -4.349 -3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.203 -3.604 -4.607 1.00 0.00 H new ATOM 522 N LEU A 37 -15.601 -1.010 -0.795 1.00 0.00 N ATOM 523 CA LEU A 37 -14.496 -1.918 -1.085 1.00 0.00 C ATOM 524 C LEU A 37 -13.472 -1.909 0.046 1.00 0.00 C ATOM 525 O LEU A 37 -13.211 -0.870 0.650 1.00 0.00 O ATOM 526 CB LEU A 37 -13.822 -1.528 -2.402 1.00 0.00 C ATOM 527 CG LEU A 37 -14.686 -1.645 -3.658 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.062 -0.869 -4.808 1.00 0.00 C ATOM 529 CD2 LEU A 37 -14.878 -3.105 -4.040 1.00 0.00 C ATOM 0 H LEU A 37 -15.550 -0.115 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.901 -2.926 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.475 -0.498 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.938 -2.152 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.665 -1.215 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.690 -0.963 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.977 0.182 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.071 -1.269 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.495 -3.168 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.907 -3.561 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.369 -3.633 -3.223 1.00 0.00 H new ATOM 541 N GLU A 38 -12.895 -3.074 0.324 1.00 0.00 N ATOM 542 CA GLU A 38 -11.899 -3.199 1.381 1.00 0.00 C ATOM 543 C GLU A 38 -10.489 -3.027 0.823 1.00 0.00 C ATOM 544 O GLU A 38 -10.303 -2.843 -0.380 1.00 0.00 O ATOM 545 CB GLU A 38 -12.024 -4.559 2.072 1.00 0.00 C ATOM 546 CG GLU A 38 -12.988 -4.558 3.246 1.00 0.00 C ATOM 547 CD GLU A 38 -14.412 -4.243 2.832 1.00 0.00 C ATOM 548 OE1 GLU A 38 -14.707 -3.057 2.575 1.00 0.00 O ATOM 549 OE2 GLU A 38 -15.232 -5.182 2.764 1.00 0.00 O ATOM 0 H GLU A 38 -13.100 -3.944 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.081 -2.411 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.354 -5.299 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.040 -4.872 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.963 -5.533 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.657 -3.825 3.982 1.00 0.00 H new ATOM 556 N VAL A 39 -9.498 -3.089 1.707 1.00 0.00 N ATOM 557 CA VAL A 39 -8.104 -2.941 1.304 1.00 0.00 C ATOM 558 C VAL A 39 -7.196 -3.852 2.122 1.00 0.00 C ATOM 559 O VAL A 39 -7.391 -4.023 3.326 1.00 0.00 O ATOM 560 CB VAL A 39 -7.627 -1.485 1.458 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.360 -0.576 0.483 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.820 -1.010 2.890 1.00 0.00 C ATOM 0 H VAL A 39 -9.634 -3.241 2.706 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.046 -3.225 0.253 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.563 -1.444 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.009 0.449 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.165 -0.905 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.431 -0.619 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.478 0.021 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.876 -1.066 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.244 -1.644 3.564 1.00 0.00 H new ATOM 572 N LYS A 40 -6.201 -4.434 1.462 1.00 0.00 N ATOM 573 CA LYS A 40 -5.259 -5.327 2.128 1.00 0.00 C ATOM 574 C LYS A 40 -3.845 -5.120 1.596 1.00 0.00 C ATOM 575 O LYS A 40 -3.600 -5.234 0.395 1.00 0.00 O ATOM 576 CB LYS A 40 -5.681 -6.785 1.931 1.00 0.00 C ATOM 577 CG LYS A 40 -6.947 -7.158 2.682 1.00 0.00 C ATOM 578 CD LYS A 40 -6.693 -7.285 4.175 1.00 0.00 C ATOM 579 CE LYS A 40 -7.988 -7.494 4.945 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.675 -8.753 4.544 1.00 0.00 N ATOM 0 H LYS A 40 -6.025 -4.304 0.466 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.266 -5.094 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.831 -6.970 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.870 -7.436 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.712 -6.402 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.335 -8.101 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.019 -8.121 4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.194 -6.387 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.775 -7.521 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.653 -6.647 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.498 -8.911 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.992 -8.676 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.016 -9.552 4.635 1.00 0.00 H new ATOM 594 N TRP A 41 -2.918 -4.816 2.497 1.00 0.00 N ATOM 595 CA TRP A 41 -1.527 -4.595 2.118 1.00 0.00 C ATOM 596 C TRP A 41 -0.699 -5.859 2.322 1.00 0.00 C ATOM 597 O TRP A 41 -0.783 -6.505 3.367 1.00 0.00 O ATOM 598 CB TRP A 41 -0.932 -3.444 2.931 1.00 0.00 C ATOM 599 CG TRP A 41 -1.608 -2.130 2.683 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.808 -1.717 3.189 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.125 -1.058 1.866 1.00 0.00 C ATOM 602 NE1 TRP A 41 -3.099 -0.453 2.735 1.00 0.00 N ATOM 603 CE2 TRP A 41 -2.082 -0.026 1.923 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.025 -0.868 1.094 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.924 1.175 1.236 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.180 0.324 0.413 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.789 1.333 0.488 1.00 0.00 C ATOM 0 H TRP A 41 -3.104 -4.717 3.495 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.502 -4.334 1.060 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.000 -3.685 3.992 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.127 -3.350 2.693 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.435 -2.298 3.849 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.937 0.081 2.965 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.779 -1.639 1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.670 1.954 1.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.064 0.481 -0.188 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.637 2.254 -0.055 1.00 0.00 H new ATOM 618 N TYR A 42 0.100 -6.206 1.320 1.00 0.00 N ATOM 619 CA TYR A 42 0.942 -7.395 1.389 1.00 0.00 C ATOM 620 C TYR A 42 2.384 -7.064 1.018 1.00 0.00 C ATOM 621 O TYR A 42 2.640 -6.173 0.208 1.00 0.00 O ATOM 622 CB TYR A 42 0.401 -8.483 0.461 1.00 0.00 C ATOM 623 CG TYR A 42 -0.968 -8.991 0.855 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.121 -8.387 0.368 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.108 -10.074 1.714 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.373 -8.847 0.726 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.356 -10.541 2.076 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.486 -9.924 1.580 1.00 0.00 C ATOM 629 OH TYR A 42 -4.732 -10.386 1.939 1.00 0.00 O ATOM 0 H TYR A 42 0.183 -5.681 0.449 1.00 0.00 H new ATOM 0 HA TYR A 42 0.926 -7.762 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.355 -8.092 -0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.100 -9.319 0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.037 -7.544 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.226 -10.559 2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.259 -8.366 0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.447 -11.385 2.744 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.635 -11.150 2.545 1.00 0.00 H new ATOM 639 N LYS A 43 3.323 -7.789 1.616 1.00 0.00 N ATOM 640 CA LYS A 43 4.740 -7.576 1.348 1.00 0.00 C ATOM 641 C LYS A 43 5.429 -8.889 0.988 1.00 0.00 C ATOM 642 O LYS A 43 5.786 -9.675 1.865 1.00 0.00 O ATOM 643 CB LYS A 43 5.422 -6.948 2.566 1.00 0.00 C ATOM 644 CG LYS A 43 6.917 -6.749 2.391 1.00 0.00 C ATOM 645 CD LYS A 43 7.625 -6.632 3.731 1.00 0.00 C ATOM 646 CE LYS A 43 9.134 -6.734 3.575 1.00 0.00 C ATOM 647 NZ LYS A 43 9.845 -6.446 4.851 1.00 0.00 N ATOM 0 H LYS A 43 3.128 -8.530 2.290 1.00 0.00 H new ATOM 0 HA LYS A 43 4.825 -6.896 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.958 -5.984 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.248 -7.581 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.333 -7.586 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.099 -5.850 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.370 -5.680 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.273 -7.418 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.397 -7.734 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.468 -6.035 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.871 -6.526 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.615 -5.482 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.546 -7.128 5.577 1.00 0.00 H new ATOM 661 N ASN A 44 5.614 -9.119 -0.308 1.00 0.00 N ATOM 662 CA ASN A 44 6.261 -10.336 -0.784 1.00 0.00 C ATOM 663 C ASN A 44 5.340 -11.541 -0.621 1.00 0.00 C ATOM 664 O ASN A 44 5.783 -12.629 -0.255 1.00 0.00 O ATOM 665 CB ASN A 44 7.569 -10.573 -0.025 1.00 0.00 C ATOM 666 CG ASN A 44 8.487 -11.542 -0.745 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.064 -12.258 -1.653 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.752 -11.569 -0.341 1.00 0.00 N ATOM 0 H ASN A 44 5.325 -8.478 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 44 6.481 -10.210 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.084 -9.622 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.344 -10.960 0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.417 -12.201 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.059 -10.958 0.416 1.00 0.00 H new ATOM 675 N GLY A 45 4.055 -11.339 -0.896 1.00 0.00 N ATOM 676 CA GLY A 45 3.091 -12.417 -0.774 1.00 0.00 C ATOM 677 C GLY A 45 2.787 -12.763 0.670 1.00 0.00 C ATOM 678 O GLY A 45 2.541 -13.923 0.998 1.00 0.00 O ATOM 0 H GLY A 45 3.664 -10.448 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.167 -12.133 -1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.473 -13.301 -1.283 1.00 0.00 H new ATOM 682 N GLN A 46 2.805 -11.754 1.535 1.00 0.00 N ATOM 683 CA GLN A 46 2.531 -11.958 2.952 1.00 0.00 C ATOM 684 C GLN A 46 1.720 -10.799 3.523 1.00 0.00 C ATOM 685 O GLN A 46 1.991 -9.636 3.227 1.00 0.00 O ATOM 686 CB GLN A 46 3.840 -12.112 3.729 1.00 0.00 C ATOM 687 CG GLN A 46 4.502 -13.467 3.544 1.00 0.00 C ATOM 688 CD GLN A 46 3.979 -14.509 4.514 1.00 0.00 C ATOM 689 OE1 GLN A 46 3.503 -15.569 4.107 1.00 0.00 O ATOM 690 NE2 GLN A 46 4.066 -14.213 5.805 1.00 0.00 N ATOM 0 H GLN A 46 3.006 -10.787 1.279 1.00 0.00 H new ATOM 0 HA GLN A 46 1.946 -12.872 3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.533 -11.332 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.644 -11.955 4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.337 -13.811 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.579 -13.362 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.468 -13.322 6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.731 -14.876 6.504 1.00 0.00 H new ATOM 699 N GLU A 47 0.724 -11.127 4.340 1.00 0.00 N ATOM 700 CA GLU A 47 -0.127 -10.112 4.951 1.00 0.00 C ATOM 701 C GLU A 47 0.678 -9.225 5.897 1.00 0.00 C ATOM 702 O GLU A 47 1.408 -9.718 6.757 1.00 0.00 O ATOM 703 CB GLU A 47 -1.280 -10.771 5.710 1.00 0.00 C ATOM 704 CG GLU A 47 -2.197 -9.779 6.406 1.00 0.00 C ATOM 705 CD GLU A 47 -3.531 -10.388 6.790 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.559 -11.591 7.125 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.547 -9.663 6.755 1.00 0.00 O ATOM 0 H GLU A 47 0.487 -12.086 4.594 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.535 -9.489 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.868 -11.369 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.871 -11.457 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.704 -9.400 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.367 -8.925 5.750 1.00 0.00 H new ATOM 714 N ILE A 48 0.538 -7.914 5.731 1.00 0.00 N ATOM 715 CA ILE A 48 1.251 -6.958 6.569 1.00 0.00 C ATOM 716 C ILE A 48 0.433 -6.593 7.803 1.00 0.00 C ATOM 717 O ILE A 48 -0.782 -6.409 7.724 1.00 0.00 O ATOM 718 CB ILE A 48 1.590 -5.671 5.793 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.529 -5.986 4.626 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.217 -4.642 6.722 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.572 -4.899 3.576 1.00 0.00 C ATOM 0 H ILE A 48 -0.063 -7.490 5.024 1.00 0.00 H new ATOM 0 HA ILE A 48 2.178 -7.440 6.879 1.00 0.00 H new ATOM 0 HB ILE A 48 0.667 -5.253 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.535 -6.146 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.215 -6.919 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.451 -3.738 6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.517 -4.400 7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.132 -5.049 7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.257 -5.189 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.574 -4.754 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.916 -3.969 4.029 1.00 0.00 H new ATOM 733 N ARG A 49 1.108 -6.487 8.943 1.00 0.00 N ATOM 734 CA ARG A 49 0.444 -6.143 10.195 1.00 0.00 C ATOM 735 C ARG A 49 0.754 -4.704 10.597 1.00 0.00 C ATOM 736 O ARG A 49 1.867 -4.209 10.415 1.00 0.00 O ATOM 737 CB ARG A 49 0.878 -7.100 11.307 1.00 0.00 C ATOM 738 CG ARG A 49 0.260 -8.484 11.195 1.00 0.00 C ATOM 739 CD ARG A 49 -1.115 -8.533 11.843 1.00 0.00 C ATOM 740 NE ARG A 49 -1.790 -9.806 11.599 1.00 0.00 N ATOM 741 CZ ARG A 49 -3.091 -9.996 11.786 1.00 0.00 C ATOM 742 NH1 ARG A 49 -3.854 -9.001 12.217 1.00 0.00 N ATOM 743 NH2 ARG A 49 -3.631 -11.182 11.542 1.00 0.00 N ATOM 0 H ARG A 49 2.114 -6.634 9.026 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.632 -6.236 10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.964 -7.194 11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.610 -6.669 12.271 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.179 -8.764 10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.914 -9.215 11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.015 -8.375 12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.727 -7.718 11.457 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.231 -10.592 11.267 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.442 -8.087 12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.853 -9.149 12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.047 -11.950 11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.630 -11.327 11.686 1.00 0.00 H new ATOM 757 N PRO A 50 -0.251 -4.016 11.158 1.00 0.00 N ATOM 758 CA PRO A 50 -0.110 -2.625 11.598 1.00 0.00 C ATOM 759 C PRO A 50 0.792 -2.492 12.820 1.00 0.00 C ATOM 760 O PRO A 50 0.515 -3.066 13.873 1.00 0.00 O ATOM 761 CB PRO A 50 -1.544 -2.215 11.944 1.00 0.00 C ATOM 762 CG PRO A 50 -2.233 -3.493 12.279 1.00 0.00 C ATOM 763 CD PRO A 50 -1.604 -4.544 11.406 1.00 0.00 C ATOM 0 HA PRO A 50 0.354 -2.001 10.834 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.566 -1.521 12.785 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.026 -1.714 11.105 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.110 -3.738 13.334 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.304 -3.420 12.091 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.572 -5.513 11.903 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.159 -4.680 10.478 1.00 0.00 H new ATOM 771 N SER A 51 1.872 -1.731 12.673 1.00 0.00 N ATOM 772 CA SER A 51 2.816 -1.525 13.764 1.00 0.00 C ATOM 773 C SER A 51 3.640 -0.261 13.539 1.00 0.00 C ATOM 774 O SER A 51 3.589 0.346 12.468 1.00 0.00 O ATOM 775 CB SER A 51 3.744 -2.735 13.899 1.00 0.00 C ATOM 776 OG SER A 51 4.628 -2.825 12.795 1.00 0.00 O ATOM 0 H SER A 51 2.115 -1.247 11.809 1.00 0.00 H new ATOM 0 HA SER A 51 2.247 -1.407 14.686 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.317 -2.656 14.823 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.150 -3.647 13.969 1.00 0.00 H new ATOM 0 HG SER A 51 5.211 -3.605 12.906 1.00 0.00 H new ATOM 782 N THR A 52 4.401 0.131 14.556 1.00 0.00 N ATOM 783 CA THR A 52 5.235 1.323 14.471 1.00 0.00 C ATOM 784 C THR A 52 5.871 1.452 13.092 1.00 0.00 C ATOM 785 O THR A 52 5.984 2.551 12.549 1.00 0.00 O ATOM 786 CB THR A 52 6.347 1.308 15.538 1.00 0.00 C ATOM 787 OG1 THR A 52 5.769 1.238 16.846 1.00 0.00 O ATOM 788 CG2 THR A 52 7.218 2.550 15.428 1.00 0.00 C ATOM 0 H THR A 52 4.457 -0.360 15.448 1.00 0.00 H new ATOM 0 HA THR A 52 4.583 2.178 14.648 1.00 0.00 H new ATOM 0 HB THR A 52 6.971 0.430 15.370 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.482 1.227 17.518 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.996 2.518 16.191 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.679 2.585 14.441 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.604 3.439 15.573 1.00 0.00 H new ATOM 796 N LYS A 53 6.286 0.322 12.529 1.00 0.00 N ATOM 797 CA LYS A 53 6.910 0.308 11.211 1.00 0.00 C ATOM 798 C LYS A 53 5.899 0.667 10.127 1.00 0.00 C ATOM 799 O LYS A 53 6.163 1.516 9.275 1.00 0.00 O ATOM 800 CB LYS A 53 7.513 -1.069 10.925 1.00 0.00 C ATOM 801 CG LYS A 53 8.589 -1.051 9.853 1.00 0.00 C ATOM 802 CD LYS A 53 9.526 -2.240 9.984 1.00 0.00 C ATOM 803 CE LYS A 53 10.409 -2.391 8.755 1.00 0.00 C ATOM 804 NZ LYS A 53 11.259 -3.612 8.829 1.00 0.00 N ATOM 0 H LYS A 53 6.201 -0.596 12.965 1.00 0.00 H new ATOM 0 HA LYS A 53 7.704 1.055 11.204 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.936 -1.469 11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.718 -1.748 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.123 -1.061 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.161 -0.126 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.150 -2.117 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.943 -3.150 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.785 -2.437 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.045 -1.511 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.783 -3.725 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.932 -3.519 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.657 -4.445 8.984 1.00 0.00 H new ATOM 818 N TYR A 54 4.742 0.016 10.165 1.00 0.00 N ATOM 819 CA TYR A 54 3.692 0.266 9.185 1.00 0.00 C ATOM 820 C TYR A 54 2.614 1.180 9.761 1.00 0.00 C ATOM 821 O TYR A 54 1.928 0.821 10.719 1.00 0.00 O ATOM 822 CB TYR A 54 3.066 -1.053 8.728 1.00 0.00 C ATOM 823 CG TYR A 54 4.046 -1.986 8.053 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.341 -1.856 6.702 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.676 -2.998 8.767 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.235 -2.706 6.080 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.573 -3.852 8.154 1.00 0.00 C ATOM 828 CZ TYR A 54 5.849 -3.703 6.811 1.00 0.00 C ATOM 829 OH TYR A 54 6.740 -4.552 6.197 1.00 0.00 O ATOM 0 H TYR A 54 4.507 -0.689 10.864 1.00 0.00 H new ATOM 0 HA TYR A 54 4.144 0.763 8.327 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.632 -1.558 9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.248 -0.838 8.040 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.863 -1.076 6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.461 -3.119 9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.452 -2.591 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.056 -4.632 8.724 1.00 0.00 H new ATOM 0 HH TYR A 54 7.083 -5.195 6.852 1.00 0.00 H new ATOM 839 N ILE A 55 2.472 2.362 9.171 1.00 0.00 N ATOM 840 CA ILE A 55 1.478 3.327 9.624 1.00 0.00 C ATOM 841 C ILE A 55 0.230 3.281 8.749 1.00 0.00 C ATOM 842 O ILE A 55 0.231 3.772 7.620 1.00 0.00 O ATOM 843 CB ILE A 55 2.042 4.760 9.620 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.500 4.759 10.083 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.199 5.663 10.507 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.660 4.561 11.574 1.00 0.00 C ATOM 0 H ILE A 55 3.033 2.674 8.378 1.00 0.00 H new ATOM 0 HA ILE A 55 1.214 3.053 10.645 1.00 0.00 H new ATOM 0 HB ILE A 55 2.005 5.147 8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.038 3.969 9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.964 5.703 9.798 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.610 6.672 10.494 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.174 5.684 10.136 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.208 5.281 11.528 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.719 4.571 11.831 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.150 5.365 12.105 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.226 3.604 11.863 1.00 0.00 H new ATOM 858 N PHE A 56 -0.836 2.689 9.280 1.00 0.00 N ATOM 859 CA PHE A 56 -2.093 2.580 8.548 1.00 0.00 C ATOM 860 C PHE A 56 -3.007 3.762 8.858 1.00 0.00 C ATOM 861 O PHE A 56 -3.470 3.922 9.986 1.00 0.00 O ATOM 862 CB PHE A 56 -2.799 1.269 8.899 1.00 0.00 C ATOM 863 CG PHE A 56 -2.137 0.055 8.312 1.00 0.00 C ATOM 864 CD1 PHE A 56 -0.987 -0.466 8.884 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.663 -0.563 7.190 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.375 -1.583 8.347 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.055 -1.680 6.649 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.909 -2.190 7.227 1.00 0.00 C ATOM 0 H PHE A 56 -0.854 2.278 10.213 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.866 2.589 7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.835 1.164 9.983 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.830 1.316 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.565 0.006 9.759 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.558 -0.168 6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.520 -1.981 8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.476 -2.154 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.431 -3.062 6.804 1.00 0.00 H new ATOM 878 N GLU A 57 -3.260 4.587 7.847 1.00 0.00 N ATOM 879 CA GLU A 57 -4.117 5.755 8.011 1.00 0.00 C ATOM 880 C GLU A 57 -5.303 5.700 7.051 1.00 0.00 C ATOM 881 O GLU A 57 -5.134 5.777 5.834 1.00 0.00 O ATOM 882 CB GLU A 57 -3.318 7.039 7.778 1.00 0.00 C ATOM 883 CG GLU A 57 -2.110 7.178 8.690 1.00 0.00 C ATOM 884 CD GLU A 57 -2.477 7.106 10.160 1.00 0.00 C ATOM 885 OE1 GLU A 57 -3.219 7.995 10.629 1.00 0.00 O ATOM 886 OE2 GLU A 57 -2.024 6.163 10.840 1.00 0.00 O ATOM 0 H GLU A 57 -2.884 4.468 6.906 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.498 5.753 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.985 7.066 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.974 7.897 7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.393 6.390 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.615 8.128 8.489 1.00 0.00 H new ATOM 893 N HIS A 58 -6.502 5.566 7.609 1.00 0.00 N ATOM 894 CA HIS A 58 -7.716 5.501 6.803 1.00 0.00 C ATOM 895 C HIS A 58 -8.499 6.808 6.892 1.00 0.00 C ATOM 896 O HIS A 58 -8.841 7.266 7.982 1.00 0.00 O ATOM 897 CB HIS A 58 -8.594 4.335 7.260 1.00 0.00 C ATOM 898 CG HIS A 58 -9.949 4.320 6.622 1.00 0.00 C ATOM 899 ND1 HIS A 58 -10.474 3.209 5.995 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.889 5.288 6.517 1.00 0.00 C ATOM 901 CE1 HIS A 58 -11.677 3.496 5.531 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.953 4.751 5.835 1.00 0.00 N ATOM 0 H HIS A 58 -6.659 5.500 8.615 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.425 5.343 5.765 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.085 3.398 7.035 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.712 4.382 8.343 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.816 6.296 6.899 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.325 2.819 4.994 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -12.816 5.242 5.601 1.00 0.00 H new ATOM 911 N LYS A 59 -8.778 7.404 5.738 1.00 0.00 N ATOM 912 CA LYS A 59 -9.520 8.658 5.684 1.00 0.00 C ATOM 913 C LYS A 59 -10.556 8.630 4.565 1.00 0.00 C ATOM 914 O LYS A 59 -10.215 8.740 3.388 1.00 0.00 O ATOM 915 CB LYS A 59 -8.562 9.833 5.477 1.00 0.00 C ATOM 916 CG LYS A 59 -8.048 10.434 6.774 1.00 0.00 C ATOM 917 CD LYS A 59 -6.988 11.493 6.516 1.00 0.00 C ATOM 918 CE LYS A 59 -5.600 10.880 6.415 1.00 0.00 C ATOM 919 NZ LYS A 59 -5.004 10.632 7.756 1.00 0.00 N ATOM 0 H LYS A 59 -8.501 7.039 4.827 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.040 8.784 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.714 9.498 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.070 10.608 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.878 10.875 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.631 9.646 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.220 12.024 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.004 12.229 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.657 9.941 5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.950 11.545 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.058 10.214 7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.926 11.531 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.611 9.977 8.290 1.00 0.00 H new ATOM 933 N GLY A 60 -11.823 8.482 4.940 1.00 0.00 N ATOM 934 CA GLY A 60 -12.888 8.444 3.956 1.00 0.00 C ATOM 935 C GLY A 60 -12.680 7.358 2.918 1.00 0.00 C ATOM 936 O GLY A 60 -12.882 6.176 3.198 1.00 0.00 O ATOM 0 H GLY A 60 -12.130 8.388 5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.840 8.282 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.953 9.411 3.458 1.00 0.00 H new ATOM 940 N CYS A 61 -12.278 7.759 1.718 1.00 0.00 N ATOM 941 CA CYS A 61 -12.045 6.812 0.634 1.00 0.00 C ATOM 942 C CYS A 61 -10.572 6.792 0.235 1.00 0.00 C ATOM 943 O CYS A 61 -10.238 6.579 -0.930 1.00 0.00 O ATOM 944 CB CYS A 61 -12.908 7.168 -0.577 1.00 0.00 C ATOM 945 SG CYS A 61 -14.686 7.143 -0.249 1.00 0.00 S ATOM 0 H CYS A 61 -12.107 8.734 1.471 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.320 5.819 0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.628 8.161 -0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.688 6.469 -1.384 1.00 0.00 H new ATOM 0 HG CYS A 61 -15.332 7.459 -1.332 1.00 0.00 H new ATOM 951 N GLN A 62 -9.698 7.018 1.210 1.00 0.00 N ATOM 952 CA GLN A 62 -8.262 7.029 0.960 1.00 0.00 C ATOM 953 C GLN A 62 -7.520 6.208 2.011 1.00 0.00 C ATOM 954 O GLN A 62 -7.839 6.269 3.198 1.00 0.00 O ATOM 955 CB GLN A 62 -7.735 8.465 0.952 1.00 0.00 C ATOM 956 CG GLN A 62 -6.239 8.562 0.701 1.00 0.00 C ATOM 957 CD GLN A 62 -5.685 9.941 1.003 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.017 10.551 0.167 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.960 10.440 2.202 1.00 0.00 N ATOM 0 H GLN A 62 -9.959 7.196 2.180 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.085 6.579 -0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.261 9.032 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.966 8.933 1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.723 7.825 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.032 8.311 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.517 9.900 2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.614 11.364 2.462 1.00 0.00 H new ATOM 968 N ARG A 63 -6.530 5.442 1.565 1.00 0.00 N ATOM 969 CA ARG A 63 -5.744 4.608 2.467 1.00 0.00 C ATOM 970 C ARG A 63 -4.253 4.880 2.297 1.00 0.00 C ATOM 971 O ARG A 63 -3.698 4.700 1.212 1.00 0.00 O ATOM 972 CB ARG A 63 -6.036 3.128 2.211 1.00 0.00 C ATOM 973 CG ARG A 63 -7.504 2.762 2.360 1.00 0.00 C ATOM 974 CD ARG A 63 -7.924 2.725 3.822 1.00 0.00 C ATOM 975 NE ARG A 63 -9.012 1.780 4.055 1.00 0.00 N ATOM 976 CZ ARG A 63 -10.240 1.941 3.574 1.00 0.00 C ATOM 977 NH1 ARG A 63 -10.534 3.003 2.838 1.00 0.00 N ATOM 978 NH2 ARG A 63 -11.177 1.037 3.830 1.00 0.00 N ATOM 0 H ARG A 63 -6.253 5.381 0.585 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.027 4.856 3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.706 2.870 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.448 2.525 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.117 3.486 1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.686 1.789 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.068 2.451 4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.236 3.721 4.135 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.819 0.951 4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.816 3.700 2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.478 3.123 2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.955 0.218 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.120 1.161 3.461 1.00 0.00 H new ATOM 992 N ILE A 64 -3.609 5.314 3.376 1.00 0.00 N ATOM 993 CA ILE A 64 -2.182 5.610 3.346 1.00 0.00 C ATOM 994 C ILE A 64 -1.388 4.563 4.119 1.00 0.00 C ATOM 995 O ILE A 64 -1.918 3.897 5.009 1.00 0.00 O ATOM 996 CB ILE A 64 -1.884 7.002 3.933 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.894 8.026 3.412 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.464 7.428 3.590 1.00 0.00 C ATOM 999 CD1 ILE A 64 -4.125 8.155 4.281 1.00 0.00 C ATOM 0 H ILE A 64 -4.053 5.468 4.281 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.877 5.594 2.300 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.975 6.950 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.408 8.999 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.198 7.744 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.268 8.414 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.242 6.709 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.347 7.467 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.797 8.898 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.635 7.193 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.832 8.467 5.283 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.112 4.424 3.775 1.00 0.00 N ATOM 1012 CA LEU A 65 0.758 3.459 4.439 1.00 0.00 C ATOM 1013 C LEU A 65 2.201 3.953 4.463 1.00 0.00 C ATOM 1014 O LEU A 65 2.751 4.346 3.435 1.00 0.00 O ATOM 1015 CB LEU A 65 0.684 2.104 3.731 1.00 0.00 C ATOM 1016 CG LEU A 65 1.447 0.958 4.394 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.943 1.232 4.377 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.958 0.745 5.820 1.00 0.00 C ATOM 0 H LEU A 65 0.343 4.967 3.041 1.00 0.00 H new ATOM 0 HA LEU A 65 0.414 3.345 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.364 1.816 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.062 2.226 2.716 1.00 0.00 H new ATOM 0 HG LEU A 65 1.259 0.046 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.470 0.405 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.283 1.333 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.150 2.155 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.513 -0.075 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.115 1.655 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.104 0.502 5.808 1.00 0.00 H new ATOM 1030 N PHE A 66 2.809 3.930 5.645 1.00 0.00 N ATOM 1031 CA PHE A 66 4.188 4.375 5.804 1.00 0.00 C ATOM 1032 C PHE A 66 5.045 3.278 6.429 1.00 0.00 C ATOM 1033 O PHE A 66 4.685 2.705 7.458 1.00 0.00 O ATOM 1034 CB PHE A 66 4.243 5.636 6.670 1.00 0.00 C ATOM 1035 CG PHE A 66 3.599 6.832 6.028 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.308 7.622 5.138 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.286 7.165 6.316 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.718 8.723 4.547 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.690 8.266 5.728 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.407 9.045 4.841 1.00 0.00 C ATOM 0 H PHE A 66 2.368 3.608 6.506 1.00 0.00 H new ATOM 0 HA PHE A 66 4.586 4.604 4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.751 5.435 7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.284 5.869 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.333 7.375 4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.721 6.558 7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.282 9.332 3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.666 8.516 5.962 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.944 9.904 4.378 1.00 0.00 H new ATOM 1050 N ILE A 67 6.179 2.991 5.799 1.00 0.00 N ATOM 1051 CA ILE A 67 7.088 1.963 6.293 1.00 0.00 C ATOM 1052 C ILE A 67 8.396 2.575 6.782 1.00 0.00 C ATOM 1053 O ILE A 67 9.172 3.115 5.995 1.00 0.00 O ATOM 1054 CB ILE A 67 7.398 0.917 5.206 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.100 0.324 4.653 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.291 -0.180 5.766 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.313 -0.601 3.475 1.00 0.00 C ATOM 0 H ILE A 67 6.491 3.455 4.946 1.00 0.00 H new ATOM 0 HA ILE A 67 6.586 1.471 7.126 1.00 0.00 H new ATOM 0 HB ILE A 67 7.928 1.409 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.592 -0.223 5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.438 1.136 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.501 -0.912 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.227 0.256 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.786 -0.671 6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.351 -0.984 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.792 -0.053 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.949 -1.433 3.776 1.00 0.00 H new ATOM 1069 N ASN A 68 8.634 2.484 8.086 1.00 0.00 N ATOM 1070 CA ASN A 68 9.850 3.028 8.681 1.00 0.00 C ATOM 1071 C ASN A 68 10.981 2.005 8.637 1.00 0.00 C ATOM 1072 O ASN A 68 10.740 0.800 8.601 1.00 0.00 O ATOM 1073 CB ASN A 68 9.588 3.454 10.127 1.00 0.00 C ATOM 1074 CG ASN A 68 8.917 4.811 10.218 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.585 5.843 10.286 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.589 4.816 10.219 1.00 0.00 N ATOM 0 H ASN A 68 8.002 2.039 8.751 1.00 0.00 H new ATOM 0 HA ASN A 68 10.150 3.901 8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.960 2.708 10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.532 3.481 10.671 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.082 5.699 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.076 3.937 10.161 1.00 0.00 H new ATOM 1083 N ASN A 69 12.216 2.497 8.641 1.00 0.00 N ATOM 1084 CA ASN A 69 13.385 1.626 8.602 1.00 0.00 C ATOM 1085 C ASN A 69 13.546 0.993 7.223 1.00 0.00 C ATOM 1086 O ASN A 69 13.828 -0.200 7.106 1.00 0.00 O ATOM 1087 CB ASN A 69 13.269 0.533 9.667 1.00 0.00 C ATOM 1088 CG ASN A 69 14.620 -0.024 10.073 1.00 0.00 C ATOM 1089 OD1 ASN A 69 15.595 0.077 9.328 1.00 0.00 O ATOM 1090 ND2 ASN A 69 14.683 -0.616 11.260 1.00 0.00 N ATOM 0 H ASN A 69 12.433 3.493 8.671 1.00 0.00 H new ATOM 0 HA ASN A 69 14.266 2.233 8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.767 0.938 10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.645 -0.276 9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.565 -1.010 11.587 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.849 -0.677 11.844 1.00 0.00 H new ATOM 1097 N CYS A 70 13.365 1.800 6.183 1.00 0.00 N ATOM 1098 CA CYS A 70 13.490 1.319 4.812 1.00 0.00 C ATOM 1099 C CYS A 70 14.938 0.963 4.490 1.00 0.00 C ATOM 1100 O CYS A 70 15.769 1.843 4.272 1.00 0.00 O ATOM 1101 CB CYS A 70 12.983 2.377 3.831 1.00 0.00 C ATOM 1102 SG CYS A 70 11.259 2.857 4.089 1.00 0.00 S ATOM 0 H CYS A 70 13.131 2.790 6.263 1.00 0.00 H new ATOM 0 HA CYS A 70 12.883 0.419 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.612 3.264 3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.095 1.999 2.815 1.00 0.00 H new ATOM 0 HG CYS A 70 10.915 2.598 5.316 1.00 0.00 H new ATOM 1108 N GLN A 71 15.231 -0.334 4.465 1.00 0.00 N ATOM 1109 CA GLN A 71 16.579 -0.806 4.173 1.00 0.00 C ATOM 1110 C GLN A 71 16.584 -1.712 2.946 1.00 0.00 C ATOM 1111 O GLN A 71 15.535 -2.175 2.500 1.00 0.00 O ATOM 1112 CB GLN A 71 17.152 -1.555 5.377 1.00 0.00 C ATOM 1113 CG GLN A 71 18.671 -1.604 5.397 1.00 0.00 C ATOM 1114 CD GLN A 71 19.236 -1.627 6.803 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.836 -2.615 7.227 1.00 0.00 O ATOM 1116 NE2 GLN A 71 19.048 -0.535 7.535 1.00 0.00 N ATOM 0 H GLN A 71 14.553 -1.075 4.643 1.00 0.00 H new ATOM 0 HA GLN A 71 17.204 0.062 3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.800 -1.078 6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.764 -2.574 5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.009 -2.490 4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.066 -0.738 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.545 0.261 7.143 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.407 -0.492 8.489 1.00 0.00 H new ATOM 1125 N MET A 72 17.773 -1.959 2.404 1.00 0.00 N ATOM 1126 CA MET A 72 17.914 -2.811 1.229 1.00 0.00 C ATOM 1127 C MET A 72 17.106 -4.095 1.388 1.00 0.00 C ATOM 1128 O MET A 72 16.578 -4.633 0.414 1.00 0.00 O ATOM 1129 CB MET A 72 19.387 -3.147 0.990 1.00 0.00 C ATOM 1130 CG MET A 72 19.697 -3.533 -0.447 1.00 0.00 C ATOM 1131 SD MET A 72 19.374 -2.194 -1.611 1.00 0.00 S ATOM 1132 CE MET A 72 20.736 -1.090 -1.244 1.00 0.00 C ATOM 0 H MET A 72 18.651 -1.582 2.760 1.00 0.00 H new ATOM 0 HA MET A 72 17.529 -2.266 0.367 1.00 0.00 H new ATOM 0 HB2 MET A 72 19.997 -2.287 1.266 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.676 -3.967 1.648 1.00 0.00 H new ATOM 0 HG2 MET A 72 20.743 -3.830 -0.522 1.00 0.00 H new ATOM 0 HG3 MET A 72 19.099 -4.401 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 72 20.791 -0.314 -2.007 1.00 0.00 H new ATOM 0 HE2 MET A 72 20.579 -0.630 -0.269 1.00 0.00 H new ATOM 0 HE3 MET A 72 21.669 -1.654 -1.233 1.00 0.00 H new ATOM 1142 N THR A 73 17.015 -4.583 2.621 1.00 0.00 N ATOM 1143 CA THR A 73 16.274 -5.804 2.907 1.00 0.00 C ATOM 1144 C THR A 73 14.770 -5.566 2.829 1.00 0.00 C ATOM 1145 O THR A 73 14.004 -6.474 2.505 1.00 0.00 O ATOM 1146 CB THR A 73 16.622 -6.360 4.301 1.00 0.00 C ATOM 1147 OG1 THR A 73 16.312 -5.389 5.307 1.00 0.00 O ATOM 1148 CG2 THR A 73 18.095 -6.730 4.383 1.00 0.00 C ATOM 0 H THR A 73 17.446 -4.150 3.438 1.00 0.00 H new ATOM 0 HA THR A 73 16.564 -6.533 2.150 1.00 0.00 H new ATOM 0 HB THR A 73 16.028 -7.258 4.469 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.534 -5.751 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.317 -7.120 5.376 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.321 -7.490 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.703 -5.845 4.196 1.00 0.00 H new ATOM 1156 N ASP A 74 14.354 -4.340 3.126 1.00 0.00 N ATOM 1157 CA ASP A 74 12.941 -3.982 3.087 1.00 0.00 C ATOM 1158 C ASP A 74 12.437 -3.913 1.649 1.00 0.00 C ATOM 1159 O ASP A 74 11.305 -4.299 1.359 1.00 0.00 O ATOM 1160 CB ASP A 74 12.713 -2.641 3.786 1.00 0.00 C ATOM 1161 CG ASP A 74 12.972 -2.714 5.278 1.00 0.00 C ATOM 1162 OD1 ASP A 74 14.154 -2.666 5.679 1.00 0.00 O ATOM 1163 OD2 ASP A 74 11.992 -2.817 6.045 1.00 0.00 O ATOM 0 H ASP A 74 14.975 -3.577 3.396 1.00 0.00 H new ATOM 0 HA ASP A 74 12.381 -4.756 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.366 -1.888 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.687 -2.315 3.614 1.00 0.00 H new ATOM 1168 N ASP A 75 13.284 -3.418 0.754 1.00 0.00 N ATOM 1169 CA ASP A 75 12.925 -3.297 -0.654 1.00 0.00 C ATOM 1170 C ASP A 75 12.223 -4.559 -1.145 1.00 0.00 C ATOM 1171 O ASP A 75 12.869 -5.507 -1.592 1.00 0.00 O ATOM 1172 CB ASP A 75 14.171 -3.030 -1.499 1.00 0.00 C ATOM 1173 CG ASP A 75 14.050 -3.591 -2.903 1.00 0.00 C ATOM 1174 OD1 ASP A 75 12.942 -3.526 -3.473 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.064 -4.095 -3.430 1.00 0.00 O ATOM 0 H ASP A 75 14.225 -3.094 0.978 1.00 0.00 H new ATOM 0 HA ASP A 75 12.239 -2.457 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.346 -1.955 -1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.040 -3.469 -1.009 1.00 0.00 H new ATOM 1180 N SER A 76 10.897 -4.565 -1.059 1.00 0.00 N ATOM 1181 CA SER A 76 10.107 -5.712 -1.490 1.00 0.00 C ATOM 1182 C SER A 76 8.955 -5.272 -2.389 1.00 0.00 C ATOM 1183 O SER A 76 8.583 -4.099 -2.409 1.00 0.00 O ATOM 1184 CB SER A 76 9.561 -6.468 -0.276 1.00 0.00 C ATOM 1185 OG SER A 76 10.585 -7.208 0.365 1.00 0.00 O ATOM 0 H SER A 76 10.347 -3.788 -0.694 1.00 0.00 H new ATOM 0 HA SER A 76 10.757 -6.375 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.122 -5.762 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.764 -7.141 -0.591 1.00 0.00 H new ATOM 0 HG SER A 76 11.154 -6.600 0.881 1.00 0.00 H new ATOM 1191 N GLU A 77 8.396 -6.222 -3.132 1.00 0.00 N ATOM 1192 CA GLU A 77 7.288 -5.933 -4.034 1.00 0.00 C ATOM 1193 C GLU A 77 5.970 -5.852 -3.268 1.00 0.00 C ATOM 1194 O GLU A 77 5.430 -6.869 -2.832 1.00 0.00 O ATOM 1195 CB GLU A 77 7.193 -7.005 -5.122 1.00 0.00 C ATOM 1196 CG GLU A 77 6.004 -6.826 -6.051 1.00 0.00 C ATOM 1197 CD GLU A 77 5.719 -8.064 -6.878 1.00 0.00 C ATOM 1198 OE1 GLU A 77 6.654 -8.566 -7.536 1.00 0.00 O ATOM 1199 OE2 GLU A 77 4.561 -8.531 -6.867 1.00 0.00 O ATOM 0 H GLU A 77 8.692 -7.198 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 77 7.477 -4.967 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.109 -6.994 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.130 -7.985 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.122 -6.576 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.192 -5.984 -6.717 1.00 0.00 H new ATOM 1206 N TYR A 78 5.459 -4.636 -3.108 1.00 0.00 N ATOM 1207 CA TYR A 78 4.207 -4.421 -2.393 1.00 0.00 C ATOM 1208 C TYR A 78 3.020 -4.451 -3.351 1.00 0.00 C ATOM 1209 O TYR A 78 3.126 -4.027 -4.502 1.00 0.00 O ATOM 1210 CB TYR A 78 4.243 -3.085 -1.650 1.00 0.00 C ATOM 1211 CG TYR A 78 5.425 -2.942 -0.718 1.00 0.00 C ATOM 1212 CD1 TYR A 78 5.380 -3.446 0.576 1.00 0.00 C ATOM 1213 CD2 TYR A 78 6.588 -2.304 -1.132 1.00 0.00 C ATOM 1214 CE1 TYR A 78 6.458 -3.317 1.430 1.00 0.00 C ATOM 1215 CE2 TYR A 78 7.671 -2.171 -0.285 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.601 -2.679 0.996 1.00 0.00 C ATOM 1217 OH TYR A 78 8.677 -2.550 1.844 1.00 0.00 O ATOM 0 H TYR A 78 5.893 -3.784 -3.464 1.00 0.00 H new ATOM 0 HA TYR A 78 4.088 -5.228 -1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.265 -2.274 -2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.323 -2.973 -1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.487 -3.947 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.646 -1.905 -2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.406 -3.714 2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.567 -1.672 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 78 9.400 -3.142 1.548 1.00 0.00 H new ATOM 1227 N TYR A 79 1.891 -4.955 -2.868 1.00 0.00 N ATOM 1228 CA TYR A 79 0.683 -5.043 -3.680 1.00 0.00 C ATOM 1229 C TYR A 79 -0.566 -5.028 -2.804 1.00 0.00 C ATOM 1230 O TYR A 79 -0.649 -5.749 -1.809 1.00 0.00 O ATOM 1231 CB TYR A 79 0.707 -6.314 -4.532 1.00 0.00 C ATOM 1232 CG TYR A 79 0.439 -7.576 -3.744 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.466 -8.237 -3.082 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.842 -8.107 -3.660 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.226 -9.390 -2.361 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.092 -9.260 -2.941 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.055 -9.898 -2.294 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.299 -11.046 -1.576 1.00 0.00 O ATOM 0 H TYR A 79 1.786 -5.309 -1.917 1.00 0.00 H new ATOM 0 HA TYR A 79 0.654 -4.174 -4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.037 -6.225 -5.323 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.680 -6.398 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.470 -7.842 -3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.657 -7.610 -4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.036 -9.891 -1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.094 -9.659 -2.886 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.548 -10.811 -0.658 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.536 -4.202 -3.182 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.782 -4.093 -2.433 1.00 0.00 C ATOM 1250 C VAL A 80 -3.949 -4.682 -3.218 1.00 0.00 C ATOM 1251 O VAL A 80 -3.962 -4.651 -4.449 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.101 -2.628 -2.083 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.315 -1.811 -3.348 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.319 -2.549 -1.176 1.00 0.00 C ATOM 0 H VAL A 80 -1.483 -3.598 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.646 -4.658 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.250 -2.208 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.539 -0.778 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.412 -1.840 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.148 -2.228 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.529 -1.506 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.179 -2.987 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.123 -3.098 -0.255 1.00 0.00 H new ATOM 1264 N THR A 81 -4.929 -5.219 -2.498 1.00 0.00 N ATOM 1265 CA THR A 81 -6.101 -5.815 -3.127 1.00 0.00 C ATOM 1266 C THR A 81 -7.382 -5.130 -2.665 1.00 0.00 C ATOM 1267 O THR A 81 -7.551 -4.844 -1.481 1.00 0.00 O ATOM 1268 CB THR A 81 -6.198 -7.321 -2.819 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.328 -7.525 -1.407 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.970 -8.059 -3.332 1.00 0.00 C ATOM 0 H THR A 81 -4.934 -5.253 -1.479 1.00 0.00 H new ATOM 0 HA THR A 81 -5.987 -5.678 -4.202 1.00 0.00 H new ATOM 0 HB THR A 81 -7.078 -7.717 -3.326 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.391 -8.485 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.061 -9.121 -3.103 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.890 -7.926 -4.411 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.078 -7.659 -2.850 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.281 -4.870 -3.609 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.548 -4.220 -3.297 1.00 0.00 C ATOM 1280 C ALA A 82 -10.666 -4.739 -4.196 1.00 0.00 C ATOM 1281 O ALA A 82 -10.710 -4.434 -5.387 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.415 -2.711 -3.434 1.00 0.00 C ATOM 0 H ALA A 82 -8.155 -5.099 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.806 -4.458 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.369 -2.239 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.651 -2.349 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.130 -2.462 -4.456 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.569 -5.525 -3.617 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.674 -6.073 -4.380 1.00 0.00 C ATOM 1290 C GLY A 83 -12.226 -7.130 -5.371 1.00 0.00 C ATOM 1291 O GLY A 83 -11.890 -8.250 -4.985 1.00 0.00 O ATOM 0 H GLY A 83 -11.554 -5.792 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.404 -6.506 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.177 -5.268 -4.915 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.222 -6.774 -6.651 1.00 0.00 N ATOM 1296 CA ASP A 84 -11.813 -7.700 -7.701 1.00 0.00 C ATOM 1297 C ASP A 84 -10.599 -7.166 -8.454 1.00 0.00 C ATOM 1298 O ASP A 84 -10.198 -7.721 -9.476 1.00 0.00 O ATOM 1299 CB ASP A 84 -12.967 -7.943 -8.674 1.00 0.00 C ATOM 1300 CG ASP A 84 -12.919 -9.325 -9.297 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -11.813 -9.900 -9.378 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -13.986 -9.831 -9.704 1.00 0.00 O ATOM 0 H ASP A 84 -12.497 -5.851 -6.987 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.539 -8.645 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.914 -7.817 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.938 -7.191 -9.463 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.020 -6.084 -7.942 1.00 0.00 N ATOM 1308 CA GLU A 85 -8.854 -5.474 -8.569 1.00 0.00 C ATOM 1309 C GLU A 85 -7.688 -5.393 -7.587 1.00 0.00 C ATOM 1310 O GLU A 85 -7.881 -5.439 -6.372 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.197 -4.075 -9.085 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.215 -4.076 -10.213 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.649 -4.621 -11.510 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.707 -4.003 -12.051 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.146 -5.664 -11.983 1.00 0.00 O ATOM 0 H GLU A 85 -10.339 -5.613 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.557 -6.101 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.582 -3.477 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.284 -3.590 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.078 -4.673 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.572 -3.059 -10.376 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.478 -5.274 -8.122 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.280 -5.186 -7.296 1.00 0.00 C ATOM 1324 C LYS A 86 -4.087 -4.708 -8.116 1.00 0.00 C ATOM 1325 O LYS A 86 -3.975 -5.015 -9.304 1.00 0.00 O ATOM 1326 CB LYS A 86 -4.969 -6.547 -6.667 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.266 -7.506 -7.611 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.873 -8.794 -6.907 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.796 -9.544 -7.675 1.00 0.00 C ATOM 1330 NZ LYS A 86 -2.537 -10.891 -7.096 1.00 0.00 N ATOM 0 H LYS A 86 -6.301 -5.236 -9.126 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.467 -4.461 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.346 -6.397 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.899 -7.002 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.920 -7.735 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.376 -7.028 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.514 -8.566 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.751 -9.430 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.099 -9.649 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.874 -8.963 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.797 -11.370 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.223 -10.790 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.410 -11.455 -7.125 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.197 -3.958 -7.476 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.011 -3.439 -8.147 1.00 0.00 C ATOM 1346 C CYS A 87 -0.751 -3.754 -7.347 1.00 0.00 C ATOM 1347 O CYS A 87 -0.826 -4.250 -6.223 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.135 -1.928 -8.351 1.00 0.00 C ATOM 1349 SG CYS A 87 -1.159 -1.286 -9.730 1.00 0.00 S ATOM 0 H CYS A 87 -3.274 -3.696 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.933 -3.925 -9.120 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.183 -1.679 -8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.827 -1.422 -7.436 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.803 -0.061 -9.477 1.00 0.00 H new ATOM 1355 N SER A 88 0.405 -3.465 -7.935 1.00 0.00 N ATOM 1356 CA SER A 88 1.682 -3.723 -7.279 1.00 0.00 C ATOM 1357 C SER A 88 2.686 -2.618 -7.592 1.00 0.00 C ATOM 1358 O SER A 88 2.630 -1.992 -8.651 1.00 0.00 O ATOM 1359 CB SER A 88 2.242 -5.077 -7.721 1.00 0.00 C ATOM 1360 OG SER A 88 2.356 -5.145 -9.132 1.00 0.00 O ATOM 0 H SER A 88 0.484 -3.052 -8.864 1.00 0.00 H new ATOM 0 HA SER A 88 1.512 -3.742 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.220 -5.236 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.591 -5.877 -7.366 1.00 0.00 H new ATOM 0 HG SER A 88 2.718 -6.019 -9.389 1.00 0.00 H new ATOM 1366 N THR A 89 3.606 -2.383 -6.661 1.00 0.00 N ATOM 1367 CA THR A 89 4.623 -1.353 -6.834 1.00 0.00 C ATOM 1368 C THR A 89 5.996 -1.859 -6.408 1.00 0.00 C ATOM 1369 O THR A 89 6.104 -2.788 -5.608 1.00 0.00 O ATOM 1370 CB THR A 89 4.282 -0.086 -6.028 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.229 0.948 -6.317 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.282 -0.378 -4.535 1.00 0.00 C ATOM 0 H THR A 89 3.667 -2.892 -5.779 1.00 0.00 H new ATOM 0 HA THR A 89 4.644 -1.105 -7.895 1.00 0.00 H new ATOM 0 HB THR A 89 3.284 0.244 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.289 1.559 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.039 0.532 -3.986 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.539 -1.145 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.268 -0.731 -4.233 1.00 0.00 H new ATOM 1380 N GLU A 90 7.043 -1.242 -6.947 1.00 0.00 N ATOM 1381 CA GLU A 90 8.409 -1.631 -6.621 1.00 0.00 C ATOM 1382 C GLU A 90 9.102 -0.549 -5.799 1.00 0.00 C ATOM 1383 O GLU A 90 9.120 0.622 -6.182 1.00 0.00 O ATOM 1384 CB GLU A 90 9.204 -1.903 -7.900 1.00 0.00 C ATOM 1385 CG GLU A 90 8.911 -3.258 -8.523 1.00 0.00 C ATOM 1386 CD GLU A 90 7.739 -3.216 -9.485 1.00 0.00 C ATOM 1387 OE1 GLU A 90 7.666 -2.266 -10.291 1.00 0.00 O ATOM 1388 OE2 GLU A 90 6.895 -4.135 -9.430 1.00 0.00 O ATOM 0 H GLU A 90 6.971 -0.471 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 90 8.367 -2.543 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.983 -1.122 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.269 -1.838 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.797 -3.610 -9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.702 -3.980 -7.733 1.00 0.00 H new ATOM 1395 N LEU A 91 9.672 -0.947 -4.667 1.00 0.00 N ATOM 1396 CA LEU A 91 10.367 -0.012 -3.789 1.00 0.00 C ATOM 1397 C LEU A 91 11.870 -0.039 -4.046 1.00 0.00 C ATOM 1398 O LEU A 91 12.503 -1.093 -3.980 1.00 0.00 O ATOM 1399 CB LEU A 91 10.081 -0.349 -2.325 1.00 0.00 C ATOM 1400 CG LEU A 91 10.585 0.661 -1.293 1.00 0.00 C ATOM 1401 CD1 LEU A 91 12.105 0.718 -1.301 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.997 2.038 -1.563 1.00 0.00 C ATOM 0 H LEU A 91 9.667 -1.912 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 91 9.999 0.992 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.003 -0.457 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.526 -1.319 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 91 10.259 0.336 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.446 1.442 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.507 -0.266 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.453 1.019 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.367 2.744 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.293 2.371 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.910 1.987 -1.506 1.00 0.00 H new ATOM 1414 N PHE A 92 12.437 1.128 -4.335 1.00 0.00 N ATOM 1415 CA PHE A 92 13.866 1.239 -4.600 1.00 0.00 C ATOM 1416 C PHE A 92 14.546 2.118 -3.555 1.00 0.00 C ATOM 1417 O PHE A 92 14.581 3.342 -3.685 1.00 0.00 O ATOM 1418 CB PHE A 92 14.105 1.812 -5.998 1.00 0.00 C ATOM 1419 CG PHE A 92 13.875 0.817 -7.100 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.800 -0.183 -7.353 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.735 0.883 -7.884 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.592 -1.099 -8.367 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.520 -0.030 -8.899 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.450 -1.023 -9.140 1.00 0.00 C ATOM 0 H PHE A 92 11.928 2.010 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 92 14.298 0.240 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.447 2.668 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.128 2.182 -6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.694 -0.248 -6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.005 1.657 -7.700 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.321 -1.873 -8.555 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.627 0.033 -9.503 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.284 -1.739 -9.932 1.00 0.00 H new ATOM 1434 N VAL A 93 15.085 1.486 -2.517 1.00 0.00 N ATOM 1435 CA VAL A 93 15.765 2.209 -1.449 1.00 0.00 C ATOM 1436 C VAL A 93 17.246 2.389 -1.763 1.00 0.00 C ATOM 1437 O VAL A 93 17.992 1.415 -1.863 1.00 0.00 O ATOM 1438 CB VAL A 93 15.622 1.482 -0.099 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.824 -0.015 -0.275 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.605 2.046 0.916 1.00 0.00 C ATOM 0 H VAL A 93 15.064 0.474 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 93 15.290 3.188 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 93 14.612 1.646 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.719 -0.512 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.077 -0.404 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.821 -0.203 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 93 16.490 1.521 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.623 1.914 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.407 3.108 1.063 1.00 0.00 H new ATOM 1450 N ARG A 94 17.665 3.641 -1.917 1.00 0.00 N ATOM 1451 CA ARG A 94 19.057 3.948 -2.221 1.00 0.00 C ATOM 1452 C ARG A 94 19.962 3.587 -1.046 1.00 0.00 C ATOM 1453 O ARG A 94 19.485 3.290 0.049 1.00 0.00 O ATOM 1454 CB ARG A 94 19.212 5.432 -2.560 1.00 0.00 C ATOM 1455 CG ARG A 94 18.380 5.873 -3.754 1.00 0.00 C ATOM 1456 CD ARG A 94 19.149 5.718 -5.056 1.00 0.00 C ATOM 1457 NE ARG A 94 18.976 4.390 -5.639 1.00 0.00 N ATOM 1458 CZ ARG A 94 17.808 3.920 -6.061 1.00 0.00 C ATOM 1459 NH1 ARG A 94 16.716 4.665 -5.966 1.00 0.00 N ATOM 1460 NH2 ARG A 94 17.731 2.701 -6.581 1.00 0.00 N ATOM 0 H ARG A 94 17.060 4.459 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 94 19.354 3.352 -3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.929 6.026 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.262 5.642 -2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 94 17.464 5.283 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 94 18.083 6.914 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.813 6.473 -5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 94 20.208 5.899 -4.875 1.00 0.00 H new ATOM 0 HE ARG A 94 19.797 3.791 -5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.771 5.602 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.820 4.301 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 94 18.569 2.125 -6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.834 2.340 -6.905 1.00 0.00 H new ATOM 1474 N SER A 95 21.270 3.615 -1.283 1.00 0.00 N ATOM 1475 CA SER A 95 22.241 3.287 -0.246 1.00 0.00 C ATOM 1476 C SER A 95 22.728 4.548 0.461 1.00 0.00 C ATOM 1477 O SER A 95 23.919 4.703 0.727 1.00 0.00 O ATOM 1478 CB SER A 95 23.430 2.536 -0.850 1.00 0.00 C ATOM 1479 OG SER A 95 24.103 3.334 -1.809 1.00 0.00 O ATOM 0 H SER A 95 21.681 3.861 -2.183 1.00 0.00 H new ATOM 0 HA SER A 95 21.750 2.647 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 95 24.123 2.250 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 95 23.083 1.615 -1.318 1.00 0.00 H new ATOM 0 HG SER A 95 24.859 2.833 -2.179 1.00 0.00 H new ATOM 1485 N GLY A 96 21.796 5.447 0.763 1.00 0.00 N ATOM 1486 CA GLY A 96 22.149 6.684 1.436 1.00 0.00 C ATOM 1487 C GLY A 96 22.319 6.501 2.931 1.00 0.00 C ATOM 1488 O GLY A 96 21.617 5.715 3.566 1.00 0.00 O ATOM 0 H GLY A 96 20.803 5.341 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 96 23.075 7.073 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 96 21.376 7.429 1.250 1.00 0.00 H new ATOM 1492 N PRO A 97 23.274 7.240 3.516 1.00 0.00 N ATOM 1493 CA PRO A 97 23.558 7.173 4.953 1.00 0.00 C ATOM 1494 C PRO A 97 22.438 7.776 5.794 1.00 0.00 C ATOM 1495 O PRO A 97 22.295 7.458 6.974 1.00 0.00 O ATOM 1496 CB PRO A 97 24.840 7.996 5.100 1.00 0.00 C ATOM 1497 CG PRO A 97 24.820 8.937 3.945 1.00 0.00 C ATOM 1498 CD PRO A 97 24.149 8.198 2.820 1.00 0.00 C ATOM 0 HA PRO A 97 23.653 6.145 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 97 24.859 8.533 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 97 25.724 7.359 5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.275 9.848 4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 97 25.831 9.236 3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 97 23.579 8.872 2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 97 24.874 7.691 2.183 1.00 0.00 H new ATOM 1506 N SER A 98 21.646 8.648 5.178 1.00 0.00 N ATOM 1507 CA SER A 98 20.540 9.299 5.872 1.00 0.00 C ATOM 1508 C SER A 98 19.910 8.357 6.893 1.00 0.00 C ATOM 1509 O SER A 98 19.384 7.301 6.539 1.00 0.00 O ATOM 1510 CB SER A 98 19.483 9.763 4.868 1.00 0.00 C ATOM 1511 OG SER A 98 18.514 10.588 5.492 1.00 0.00 O ATOM 0 H SER A 98 21.749 8.920 4.200 1.00 0.00 H new ATOM 0 HA SER A 98 20.935 10.167 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.963 10.310 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.995 8.896 4.423 1.00 0.00 H new ATOM 0 HG SER A 98 17.851 10.873 4.829 1.00 0.00 H new ATOM 1517 N SER A 99 19.966 8.746 8.162 1.00 0.00 N ATOM 1518 CA SER A 99 19.405 7.936 9.237 1.00 0.00 C ATOM 1519 C SER A 99 18.281 8.681 9.949 1.00 0.00 C ATOM 1520 O SER A 99 18.134 9.894 9.802 1.00 0.00 O ATOM 1521 CB SER A 99 20.495 7.554 10.240 1.00 0.00 C ATOM 1522 OG SER A 99 20.089 6.460 11.043 1.00 0.00 O ATOM 0 H SER A 99 20.395 9.618 8.472 1.00 0.00 H new ATOM 0 HA SER A 99 18.993 7.028 8.796 1.00 0.00 H new ATOM 0 HB2 SER A 99 21.410 7.298 9.707 1.00 0.00 H new ATOM 0 HB3 SER A 99 20.725 8.410 10.875 1.00 0.00 H new ATOM 0 HG SER A 99 20.804 6.235 11.674 1.00 0.00 H new ATOM 1528 N GLY A 100 17.487 7.945 10.722 1.00 0.00 N ATOM 1529 CA GLY A 100 16.386 8.552 11.446 1.00 0.00 C ATOM 1530 C GLY A 100 15.632 7.552 12.300 1.00 0.00 C ATOM 1531 O GLY A 100 14.659 7.904 12.967 1.00 0.00 O ATOM 0 H GLY A 100 17.587 6.939 10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 100 16.769 9.351 12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.698 9.011 10.736 1.00 0.00 H new TER 1535 GLY A 100