USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 729 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 57 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 MET CE :methyl -173:sc= -0.312 (180deg=-0.38) USER MOD Single : A 1 MET CE :methyl -146:sc= -0.183 (180deg=-0.916) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.594 (180deg=-0.777) USER MOD Single : A 2 SER OG : rot 12:sc= 0.342 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 59:sc= 0.133 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.99 K(o=-2,f=-6.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.367 (180deg=-0.846) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.387 K(o=-0.39,f=-3.3!) USER MOD Single : A 54 THR OG1 : rot 49:sc= 0.019 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 162:sc= 0 (180deg=-0.258) USER MOD Single : A 59 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.071) USER MOD Single : A 62 HIS : no HD1:sc= -7.15! C(o=-7.2!,f=-5!) USER MOD Single : A 68 GLN : amide:sc= -6.55! C(o=-6.5!,f=-8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -28:sc= -0.601! USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.490 -11.909 5.592 1.00 0.00 N ATOM 2 CA MET A 1 -20.194 -12.255 6.815 1.00 0.00 C ATOM 3 C MET A 1 -19.334 -11.958 8.046 1.00 0.00 C ATOM 4 O MET A 1 -19.856 -11.788 9.146 1.00 0.00 O ATOM 5 CB MET A 1 -20.557 -13.741 6.793 1.00 0.00 C ATOM 6 CG MET A 1 -19.301 -14.610 6.690 1.00 0.00 C ATOM 7 SD MET A 1 -19.276 -15.464 5.123 1.00 0.00 S ATOM 8 CE MET A 1 -20.727 -16.487 5.304 1.00 0.00 C ATOM 0 H1 MET A 1 -20.129 -12.023 4.779 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.169 -10.921 5.644 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.667 -12.535 5.476 1.00 0.00 H new ATOM 0 HA MET A 1 -21.100 -11.651 6.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.108 -13.998 7.697 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.216 -13.946 5.949 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.410 -13.990 6.790 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.280 -15.331 7.507 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.566 -17.439 4.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.916 -16.666 6.362 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.586 -15.982 4.862 1.00 0.00 H new ATOM 18 N SER A 2 -18.030 -11.905 7.817 1.00 0.00 N ATOM 19 CA SER A 2 -17.092 -11.631 8.893 1.00 0.00 C ATOM 20 C SER A 2 -15.846 -10.938 8.338 1.00 0.00 C ATOM 21 O SER A 2 -15.490 -9.847 8.779 1.00 0.00 O ATOM 22 CB SER A 2 -16.703 -12.917 9.625 1.00 0.00 C ATOM 23 OG SER A 2 -17.745 -13.381 10.479 1.00 0.00 O ATOM 0 H SER A 2 -17.601 -12.047 6.903 1.00 0.00 H new ATOM 0 HA SER A 2 -17.578 -10.970 9.610 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.461 -13.690 8.896 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.803 -12.741 10.214 1.00 0.00 H new ATOM 0 HG SER A 2 -18.572 -12.895 10.280 1.00 0.00 H new ATOM 29 N THR A 3 -15.217 -11.602 7.379 1.00 0.00 N ATOM 30 CA THR A 3 -14.018 -11.064 6.759 1.00 0.00 C ATOM 31 C THR A 3 -14.307 -9.696 6.137 1.00 0.00 C ATOM 32 O THR A 3 -15.407 -9.456 5.640 1.00 0.00 O ATOM 33 CB THR A 3 -13.505 -12.093 5.751 1.00 0.00 C ATOM 34 OG1 THR A 3 -12.244 -11.575 5.337 1.00 0.00 O ATOM 35 CG2 THR A 3 -14.336 -12.121 4.467 1.00 0.00 C ATOM 0 H THR A 3 -15.515 -12.508 7.016 1.00 0.00 H new ATOM 0 HA THR A 3 -13.234 -10.892 7.497 1.00 0.00 H new ATOM 0 HB THR A 3 -13.511 -13.082 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.840 -12.182 4.683 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.929 -12.868 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.369 -12.374 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.304 -11.141 3.991 1.00 0.00 H new ATOM 43 N ASP A 4 -13.302 -8.835 6.186 1.00 0.00 N ATOM 44 CA ASP A 4 -13.434 -7.498 5.633 1.00 0.00 C ATOM 45 C ASP A 4 -12.745 -7.444 4.269 1.00 0.00 C ATOM 46 O ASP A 4 -11.741 -8.120 4.049 1.00 0.00 O ATOM 47 CB ASP A 4 -12.770 -6.459 6.540 1.00 0.00 C ATOM 48 CG ASP A 4 -13.553 -5.156 6.713 1.00 0.00 C ATOM 49 OD1 ASP A 4 -14.714 -5.048 6.289 1.00 0.00 O ATOM 50 OD2 ASP A 4 -12.916 -4.213 7.319 1.00 0.00 O ATOM 0 H ASP A 4 -12.392 -9.037 6.600 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.497 -7.273 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.613 -6.904 7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.786 -6.223 6.136 1.00 0.00 H new ATOM 55 N THR A 5 -13.311 -6.633 3.387 1.00 0.00 N ATOM 56 CA THR A 5 -12.763 -6.482 2.050 1.00 0.00 C ATOM 57 C THR A 5 -12.566 -7.851 1.397 1.00 0.00 C ATOM 58 O THR A 5 -11.454 -8.377 1.374 1.00 0.00 O ATOM 59 CB THR A 5 -11.473 -5.667 2.156 1.00 0.00 C ATOM 60 OG1 THR A 5 -11.917 -4.353 2.482 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.773 -5.500 0.806 1.00 0.00 C ATOM 0 H THR A 5 -14.144 -6.074 3.572 1.00 0.00 H new ATOM 0 HA THR A 5 -13.451 -5.943 1.399 1.00 0.00 H new ATOM 0 HB THR A 5 -10.795 -6.152 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.143 -3.759 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.863 -4.914 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.518 -6.481 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.438 -4.986 0.112 1.00 0.00 H new ATOM 69 N GLY A 6 -13.661 -8.390 0.882 1.00 0.00 N ATOM 70 CA GLY A 6 -13.622 -9.688 0.230 1.00 0.00 C ATOM 71 C GLY A 6 -13.801 -9.547 -1.283 1.00 0.00 C ATOM 72 O GLY A 6 -12.833 -9.325 -2.008 1.00 0.00 O ATOM 0 H GLY A 6 -14.582 -7.951 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -12.672 -10.178 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -14.407 -10.326 0.635 1.00 0.00 H new ATOM 76 N VAL A 7 -15.047 -9.683 -1.714 1.00 0.00 N ATOM 77 CA VAL A 7 -15.365 -9.574 -3.128 1.00 0.00 C ATOM 78 C VAL A 7 -16.341 -8.415 -3.339 1.00 0.00 C ATOM 79 O VAL A 7 -17.409 -8.596 -3.922 1.00 0.00 O ATOM 80 CB VAL A 7 -15.901 -10.909 -3.648 1.00 0.00 C ATOM 81 CG1 VAL A 7 -17.115 -11.366 -2.837 1.00 0.00 C ATOM 82 CG2 VAL A 7 -16.238 -10.822 -5.138 1.00 0.00 C ATOM 0 H VAL A 7 -15.848 -9.868 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.467 -9.352 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.116 -11.655 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.476 -12.317 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.830 -11.488 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.905 -10.619 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.617 -11.784 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.997 -10.056 -5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.340 -10.564 -5.700 1.00 0.00 H new ATOM 92 N SER A 8 -15.940 -7.249 -2.852 1.00 0.00 N ATOM 93 CA SER A 8 -16.767 -6.061 -2.980 1.00 0.00 C ATOM 94 C SER A 8 -16.041 -4.853 -2.386 1.00 0.00 C ATOM 95 O SER A 8 -16.285 -4.479 -1.240 1.00 0.00 O ATOM 96 CB SER A 8 -18.121 -6.256 -2.295 1.00 0.00 C ATOM 97 OG SER A 8 -19.187 -6.347 -3.237 1.00 0.00 O ATOM 0 H SER A 8 -15.054 -7.102 -2.369 1.00 0.00 H new ATOM 0 HA SER A 8 -16.949 -5.883 -4.040 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.094 -7.162 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.307 -5.424 -1.616 1.00 0.00 H new ATOM 0 HG SER A 8 -19.025 -7.100 -3.843 1.00 0.00 H new ATOM 103 N LEU A 9 -15.162 -4.275 -3.192 1.00 0.00 N ATOM 104 CA LEU A 9 -14.399 -3.117 -2.761 1.00 0.00 C ATOM 105 C LEU A 9 -14.208 -2.167 -3.945 1.00 0.00 C ATOM 106 O LEU A 9 -13.124 -2.100 -4.523 1.00 0.00 O ATOM 107 CB LEU A 9 -13.087 -3.553 -2.105 1.00 0.00 C ATOM 108 CG LEU A 9 -12.580 -2.667 -0.965 1.00 0.00 C ATOM 109 CD1 LEU A 9 -12.199 -1.277 -1.479 1.00 0.00 C ATOM 110 CD2 LEU A 9 -13.602 -2.597 0.171 1.00 0.00 C ATOM 0 H LEU A 9 -14.962 -4.588 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.944 -2.566 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.214 -4.566 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.316 -3.597 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.676 -3.119 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.842 -0.667 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.411 -1.369 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.072 -0.803 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.217 -1.961 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.537 -2.181 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.782 -3.599 0.561 1.00 0.00 H new ATOM 122 N PRO A 10 -15.306 -1.438 -4.280 1.00 0.00 N ATOM 123 CA PRO A 10 -15.270 -0.495 -5.385 1.00 0.00 C ATOM 124 C PRO A 10 -14.503 0.772 -5.000 1.00 0.00 C ATOM 125 O PRO A 10 -14.544 1.201 -3.848 1.00 0.00 O ATOM 126 CB PRO A 10 -16.728 -0.227 -5.722 1.00 0.00 C ATOM 127 CG PRO A 10 -17.524 -0.663 -4.503 1.00 0.00 C ATOM 128 CD PRO A 10 -16.606 -1.491 -3.618 1.00 0.00 C ATOM 0 HA PRO A 10 -14.740 -0.885 -6.254 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.891 0.829 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -17.033 -0.784 -6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -17.896 0.205 -3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -18.393 -1.248 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.554 -1.082 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.963 -2.517 -3.528 1.00 0.00 H new ATOM 136 N SER A 11 -13.821 1.335 -5.987 1.00 0.00 N ATOM 137 CA SER A 11 -13.046 2.544 -5.766 1.00 0.00 C ATOM 138 C SER A 11 -13.061 3.413 -7.025 1.00 0.00 C ATOM 139 O SER A 11 -13.505 4.560 -6.987 1.00 0.00 O ATOM 140 CB SER A 11 -11.607 2.211 -5.368 1.00 0.00 C ATOM 141 OG SER A 11 -10.739 3.331 -5.520 1.00 0.00 O ATOM 0 H SER A 11 -13.789 0.976 -6.941 1.00 0.00 H new ATOM 0 HA SER A 11 -13.502 3.097 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.586 1.874 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.244 1.385 -5.979 1.00 0.00 H new ATOM 0 HG SER A 11 -9.830 3.079 -5.255 1.00 0.00 H new ATOM 147 N TYR A 12 -12.572 2.833 -8.111 1.00 0.00 N ATOM 148 CA TYR A 12 -12.524 3.540 -9.380 1.00 0.00 C ATOM 149 C TYR A 12 -13.171 2.714 -10.493 1.00 0.00 C ATOM 150 O TYR A 12 -12.513 1.885 -11.119 1.00 0.00 O ATOM 151 CB TYR A 12 -11.040 3.731 -9.700 1.00 0.00 C ATOM 152 CG TYR A 12 -10.738 4.980 -10.531 1.00 0.00 C ATOM 153 CD1 TYR A 12 -11.365 5.169 -11.746 1.00 0.00 C ATOM 154 CD2 TYR A 12 -9.838 5.917 -10.066 1.00 0.00 C ATOM 155 CE1 TYR A 12 -11.081 6.344 -12.528 1.00 0.00 C ATOM 156 CE2 TYR A 12 -9.554 7.092 -10.848 1.00 0.00 C ATOM 157 CZ TYR A 12 -10.190 7.248 -12.040 1.00 0.00 C ATOM 158 OH TYR A 12 -9.922 8.358 -12.779 1.00 0.00 O ATOM 0 H TYR A 12 -12.205 1.882 -8.139 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.063 4.485 -9.313 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.481 3.785 -8.766 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.679 2.854 -10.237 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.069 4.435 -12.110 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.347 5.769 -9.116 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.565 6.504 -13.480 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.852 7.833 -10.496 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.269 8.915 -12.307 1.00 0.00 H new ATOM 168 N GLU A 13 -14.454 2.969 -10.705 1.00 0.00 N ATOM 169 CA GLU A 13 -15.198 2.259 -11.732 1.00 0.00 C ATOM 170 C GLU A 13 -15.385 0.794 -11.335 1.00 0.00 C ATOM 171 O GLU A 13 -16.498 0.366 -11.034 1.00 0.00 O ATOM 172 CB GLU A 13 -14.504 2.375 -13.091 1.00 0.00 C ATOM 173 CG GLU A 13 -15.528 2.514 -14.219 1.00 0.00 C ATOM 174 CD GLU A 13 -15.802 3.987 -14.532 1.00 0.00 C ATOM 175 OE1 GLU A 13 -16.101 4.769 -13.618 1.00 0.00 O ATOM 176 OE2 GLU A 13 -15.694 4.309 -15.776 1.00 0.00 O ATOM 0 H GLU A 13 -14.997 3.657 -10.183 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.182 2.718 -11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.838 3.238 -13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.885 1.495 -13.264 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.160 2.011 -15.113 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.457 2.020 -13.935 1.00 0.00 H new ATOM 183 N GLU A 14 -14.279 0.065 -11.346 1.00 0.00 N ATOM 184 CA GLU A 14 -14.307 -1.344 -10.990 1.00 0.00 C ATOM 185 C GLU A 14 -12.913 -1.957 -11.143 1.00 0.00 C ATOM 186 O GLU A 14 -12.285 -1.827 -12.192 1.00 0.00 O ATOM 187 CB GLU A 14 -15.335 -2.101 -11.832 1.00 0.00 C ATOM 188 CG GLU A 14 -16.194 -3.016 -10.957 1.00 0.00 C ATOM 189 CD GLU A 14 -17.683 -2.795 -11.229 1.00 0.00 C ATOM 190 OE1 GLU A 14 -18.131 -3.356 -12.300 1.00 0.00 O ATOM 191 OE2 GLU A 14 -18.362 -2.117 -10.444 1.00 0.00 O ATOM 0 H GLU A 14 -13.357 0.423 -11.596 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.608 -1.430 -9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -15.973 -1.391 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.824 -2.693 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.936 -4.057 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.980 -2.825 -9.905 1.00 0.00 H new ATOM 198 N ASP A 15 -12.471 -2.613 -10.080 1.00 0.00 N ATOM 199 CA ASP A 15 -11.164 -3.248 -10.082 1.00 0.00 C ATOM 200 C ASP A 15 -11.173 -4.429 -9.110 1.00 0.00 C ATOM 201 O ASP A 15 -11.183 -4.237 -7.895 1.00 0.00 O ATOM 202 CB ASP A 15 -10.077 -2.271 -9.629 1.00 0.00 C ATOM 203 CG ASP A 15 -10.472 -1.357 -8.468 1.00 0.00 C ATOM 204 OD1 ASP A 15 -11.184 -1.773 -7.542 1.00 0.00 O ATOM 205 OD2 ASP A 15 -10.011 -0.154 -8.539 1.00 0.00 O ATOM 0 H ASP A 15 -12.995 -2.718 -9.211 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.952 -3.579 -11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.195 -2.842 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.790 -1.651 -10.478 1.00 0.00 H new ATOM 210 N GLN A 16 -11.170 -5.624 -9.681 1.00 0.00 N ATOM 211 CA GLN A 16 -11.177 -6.837 -8.880 1.00 0.00 C ATOM 212 C GLN A 16 -10.401 -7.947 -9.591 1.00 0.00 C ATOM 213 O GLN A 16 -9.489 -8.538 -9.015 1.00 0.00 O ATOM 214 CB GLN A 16 -12.609 -7.280 -8.570 1.00 0.00 C ATOM 215 CG GLN A 16 -12.736 -7.745 -7.119 1.00 0.00 C ATOM 216 CD GLN A 16 -11.819 -8.939 -6.843 1.00 0.00 C ATOM 217 OE1 GLN A 16 -10.612 -8.813 -6.727 1.00 0.00 O ATOM 218 NE2 GLN A 16 -12.459 -10.101 -6.745 1.00 0.00 N ATOM 0 H GLN A 16 -11.163 -5.779 -10.689 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.683 -6.626 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.297 -6.454 -8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.897 -8.089 -9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.483 -6.925 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.770 -8.020 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.473 -10.136 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.936 -10.957 -6.562 1.00 0.00 H new ATOM 227 N GLY A 17 -10.791 -8.198 -10.832 1.00 0.00 N ATOM 228 CA GLY A 17 -10.144 -9.227 -11.627 1.00 0.00 C ATOM 229 C GLY A 17 -8.637 -9.259 -11.360 1.00 0.00 C ATOM 230 O GLY A 17 -8.097 -10.286 -10.953 1.00 0.00 O ATOM 0 H GLY A 17 -11.548 -7.706 -11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.579 -10.199 -11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.326 -9.042 -12.686 1.00 0.00 H new ATOM 234 N SER A 18 -8.002 -8.121 -11.600 1.00 0.00 N ATOM 235 CA SER A 18 -6.569 -8.006 -11.390 1.00 0.00 C ATOM 236 C SER A 18 -6.177 -8.679 -10.073 1.00 0.00 C ATOM 237 O SER A 18 -5.266 -9.505 -10.041 1.00 0.00 O ATOM 238 CB SER A 18 -6.128 -6.541 -11.390 1.00 0.00 C ATOM 239 OG SER A 18 -4.730 -6.404 -11.631 1.00 0.00 O ATOM 0 H SER A 18 -8.453 -7.271 -11.938 1.00 0.00 H new ATOM 0 HA SER A 18 -6.061 -8.510 -12.213 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.683 -5.996 -12.154 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.377 -6.088 -10.430 1.00 0.00 H new ATOM 0 HG SER A 18 -4.489 -5.454 -11.625 1.00 0.00 H new ATOM 245 N LYS A 19 -6.883 -8.299 -9.019 1.00 0.00 N ATOM 246 CA LYS A 19 -6.620 -8.854 -7.702 1.00 0.00 C ATOM 247 C LYS A 19 -6.713 -10.380 -7.770 1.00 0.00 C ATOM 248 O LYS A 19 -5.863 -11.082 -7.223 1.00 0.00 O ATOM 249 CB LYS A 19 -7.550 -8.228 -6.661 1.00 0.00 C ATOM 250 CG LYS A 19 -7.028 -6.861 -6.213 1.00 0.00 C ATOM 251 CD LYS A 19 -8.099 -5.781 -6.387 1.00 0.00 C ATOM 252 CE LYS A 19 -8.233 -4.933 -5.121 1.00 0.00 C ATOM 253 NZ LYS A 19 -7.156 -3.919 -5.061 1.00 0.00 N ATOM 0 H LYS A 19 -7.637 -7.613 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.608 -8.609 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.551 -8.120 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.635 -8.890 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.722 -6.909 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.143 -6.598 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.842 -5.142 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.056 -6.247 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.205 -4.441 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.187 -5.574 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.261 -3.352 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.231 -4.395 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.218 -3.297 -5.892 1.00 0.00 H new ATOM 267 N LEU A 20 -7.751 -10.849 -8.445 1.00 0.00 N ATOM 268 CA LEU A 20 -7.966 -12.279 -8.591 1.00 0.00 C ATOM 269 C LEU A 20 -6.751 -12.904 -9.280 1.00 0.00 C ATOM 270 O LEU A 20 -6.424 -14.065 -9.036 1.00 0.00 O ATOM 271 CB LEU A 20 -9.288 -12.551 -9.311 1.00 0.00 C ATOM 272 CG LEU A 20 -9.916 -13.924 -9.062 1.00 0.00 C ATOM 273 CD1 LEU A 20 -10.269 -14.106 -7.584 1.00 0.00 C ATOM 274 CD2 LEU A 20 -11.126 -14.147 -9.972 1.00 0.00 C ATOM 0 H LEU A 20 -8.453 -10.264 -8.898 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.059 -12.753 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.005 -11.786 -9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.126 -12.436 -10.383 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.179 -14.687 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.714 -15.090 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.365 -14.021 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.980 -13.337 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.553 -15.130 -9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.875 -13.380 -9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.813 -14.090 -11.014 1.00 0.00 H new ATOM 286 N ILE A 21 -6.114 -12.107 -10.125 1.00 0.00 N ATOM 287 CA ILE A 21 -4.943 -12.569 -10.851 1.00 0.00 C ATOM 288 C ILE A 21 -3.712 -12.452 -9.949 1.00 0.00 C ATOM 289 O ILE A 21 -2.725 -13.159 -10.146 1.00 0.00 O ATOM 290 CB ILE A 21 -4.806 -11.821 -12.178 1.00 0.00 C ATOM 291 CG1 ILE A 21 -6.055 -12.004 -13.042 1.00 0.00 C ATOM 292 CG2 ILE A 21 -3.532 -12.241 -12.915 1.00 0.00 C ATOM 293 CD1 ILE A 21 -6.288 -10.784 -13.936 1.00 0.00 C ATOM 0 H ILE A 21 -6.386 -11.144 -10.323 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.048 -13.621 -11.115 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.717 -10.756 -11.963 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.947 -12.896 -13.659 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.924 -12.162 -12.403 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.459 -11.695 -13.855 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.663 -12.017 -12.296 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.566 -13.311 -13.119 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.182 -10.941 -14.540 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.420 -9.898 -13.315 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.428 -10.643 -14.591 1.00 0.00 H new ATOM 305 N ARG A 22 -3.811 -11.554 -8.980 1.00 0.00 N ATOM 306 CA ARG A 22 -2.718 -11.336 -8.048 1.00 0.00 C ATOM 307 C ARG A 22 -1.375 -11.411 -8.777 1.00 0.00 C ATOM 308 O ARG A 22 -0.682 -12.425 -8.706 1.00 0.00 O ATOM 309 CB ARG A 22 -2.738 -12.373 -6.923 1.00 0.00 C ATOM 310 CG ARG A 22 -3.214 -11.748 -5.610 1.00 0.00 C ATOM 311 CD ARG A 22 -3.210 -12.779 -4.479 1.00 0.00 C ATOM 312 NE ARG A 22 -4.590 -13.246 -4.215 1.00 0.00 N ATOM 313 CZ ARG A 22 -5.168 -14.292 -4.842 1.00 0.00 C ATOM 314 NH1 ARG A 22 -4.489 -14.991 -5.776 1.00 0.00 N ATOM 315 NH2 ARG A 22 -6.407 -14.622 -4.527 1.00 0.00 N ATOM 0 H ARG A 22 -4.631 -10.969 -8.820 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.845 -10.344 -7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.395 -13.199 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.740 -12.790 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.568 -10.911 -5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.219 -11.347 -5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.577 -13.624 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.787 -12.339 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.138 -12.746 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.532 -14.730 -6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.933 -15.780 -6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.912 -14.089 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.859 -15.410 -4.991 1.00 0.00 H new ATOM 329 N LYS A 23 -1.048 -10.325 -9.462 1.00 0.00 N ATOM 330 CA LYS A 23 0.199 -10.255 -10.204 1.00 0.00 C ATOM 331 C LYS A 23 1.361 -10.611 -9.274 1.00 0.00 C ATOM 332 O LYS A 23 1.149 -10.938 -8.107 1.00 0.00 O ATOM 333 CB LYS A 23 0.346 -8.889 -10.877 1.00 0.00 C ATOM 334 CG LYS A 23 -0.347 -8.873 -12.241 1.00 0.00 C ATOM 335 CD LYS A 23 0.357 -7.913 -13.203 1.00 0.00 C ATOM 336 CE LYS A 23 -0.270 -7.975 -14.597 1.00 0.00 C ATOM 337 NZ LYS A 23 0.782 -8.051 -15.635 1.00 0.00 N ATOM 0 H LYS A 23 -1.625 -9.486 -9.519 1.00 0.00 H new ATOM 0 HA LYS A 23 0.203 -10.985 -11.013 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.083 -8.117 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.403 -8.651 -10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.351 -9.878 -12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.388 -8.574 -12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.295 -6.895 -12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.415 -8.166 -13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.924 -8.844 -14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.890 -7.094 -14.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.340 -8.092 -16.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.390 -7.209 -15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.357 -8.905 -15.485 1.00 0.00 H new ATOM 351 N ALA A 24 2.563 -10.534 -9.826 1.00 0.00 N ATOM 352 CA ALA A 24 3.759 -10.843 -9.060 1.00 0.00 C ATOM 353 C ALA A 24 4.044 -9.701 -8.083 1.00 0.00 C ATOM 354 O ALA A 24 4.831 -8.805 -8.382 1.00 0.00 O ATOM 355 CB ALA A 24 4.926 -11.097 -10.017 1.00 0.00 C ATOM 0 H ALA A 24 2.735 -10.262 -10.794 1.00 0.00 H new ATOM 0 HA ALA A 24 3.615 -11.750 -8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.823 -11.329 -9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.686 -11.936 -10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.102 -10.207 -10.621 1.00 0.00 H new ATOM 361 N LYS A 25 3.387 -9.771 -6.934 1.00 0.00 N ATOM 362 CA LYS A 25 3.560 -8.754 -5.911 1.00 0.00 C ATOM 363 C LYS A 25 2.788 -9.164 -4.655 1.00 0.00 C ATOM 364 O LYS A 25 2.070 -8.354 -4.071 1.00 0.00 O ATOM 365 CB LYS A 25 3.167 -7.378 -6.452 1.00 0.00 C ATOM 366 CG LYS A 25 3.497 -6.277 -5.441 1.00 0.00 C ATOM 367 CD LYS A 25 3.456 -4.897 -6.101 1.00 0.00 C ATOM 368 CE LYS A 25 2.239 -4.099 -5.627 1.00 0.00 C ATOM 369 NZ LYS A 25 2.584 -2.668 -5.476 1.00 0.00 N ATOM 0 H LYS A 25 2.735 -10.516 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 25 4.610 -8.672 -5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.693 -7.187 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.101 -7.363 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.786 -6.311 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.486 -6.452 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.369 -4.350 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.423 -5.009 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.424 -4.209 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.884 -4.496 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.837 -2.186 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.488 -2.580 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.670 -2.231 -6.416 1.00 0.00 H new ATOM 383 N GLU A 26 2.962 -10.422 -4.277 1.00 0.00 N ATOM 384 CA GLU A 26 2.290 -10.949 -3.101 1.00 0.00 C ATOM 385 C GLU A 26 3.317 -11.378 -2.051 1.00 0.00 C ATOM 386 O GLU A 26 3.470 -10.721 -1.022 1.00 0.00 O ATOM 387 CB GLU A 26 1.367 -12.111 -3.472 1.00 0.00 C ATOM 388 CG GLU A 26 0.066 -12.055 -2.669 1.00 0.00 C ATOM 389 CD GLU A 26 -0.221 -13.399 -1.995 1.00 0.00 C ATOM 390 OE1 GLU A 26 0.310 -13.673 -0.908 1.00 0.00 O ATOM 391 OE2 GLU A 26 -1.028 -14.171 -2.640 1.00 0.00 O ATOM 0 H GLU A 26 3.558 -11.091 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 26 1.672 -10.159 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.142 -12.076 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.874 -13.057 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.134 -11.272 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.761 -11.791 -3.328 1.00 0.00 H new ATOM 398 N ALA A 27 3.994 -12.478 -2.347 1.00 0.00 N ATOM 399 CA ALA A 27 5.003 -13.002 -1.441 1.00 0.00 C ATOM 400 C ALA A 27 6.192 -12.041 -1.397 1.00 0.00 C ATOM 401 O ALA A 27 6.595 -11.596 -0.324 1.00 0.00 O ATOM 402 CB ALA A 27 5.406 -14.409 -1.887 1.00 0.00 C ATOM 0 H ALA A 27 3.864 -13.021 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 27 4.607 -13.081 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.163 -14.803 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.532 -15.060 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.811 -14.368 -2.898 1.00 0.00 H new ATOM 408 N PRO A 28 6.734 -11.741 -2.608 1.00 0.00 N ATOM 409 CA PRO A 28 7.869 -10.841 -2.717 1.00 0.00 C ATOM 410 C PRO A 28 7.438 -9.388 -2.512 1.00 0.00 C ATOM 411 O PRO A 28 6.538 -8.901 -3.195 1.00 0.00 O ATOM 412 CB PRO A 28 8.445 -11.100 -4.100 1.00 0.00 C ATOM 413 CG PRO A 28 7.344 -11.793 -4.887 1.00 0.00 C ATOM 414 CD PRO A 28 6.283 -12.250 -3.900 1.00 0.00 C ATOM 0 HA PRO A 28 8.621 -11.017 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.741 -10.168 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.336 -11.725 -4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.914 -11.113 -5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.746 -12.644 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.302 -11.853 -4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.195 -13.336 -3.889 1.00 0.00 H new ATOM 422 N PHE A 29 8.101 -8.735 -1.569 1.00 0.00 N ATOM 423 CA PHE A 29 7.797 -7.346 -1.265 1.00 0.00 C ATOM 424 C PHE A 29 8.655 -6.401 -2.108 1.00 0.00 C ATOM 425 O PHE A 29 8.422 -5.193 -2.123 1.00 0.00 O ATOM 426 CB PHE A 29 8.124 -7.130 0.214 1.00 0.00 C ATOM 427 CG PHE A 29 9.620 -7.011 0.510 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.247 -5.811 0.374 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.324 -8.104 0.908 1.00 0.00 C ATOM 430 CE1 PHE A 29 11.635 -5.701 0.649 1.00 0.00 C ATOM 431 CE2 PHE A 29 11.713 -7.994 1.183 1.00 0.00 C ATOM 432 CZ PHE A 29 12.339 -6.794 1.047 1.00 0.00 C ATOM 0 H PHE A 29 8.848 -9.141 -1.005 1.00 0.00 H new ATOM 0 HA PHE A 29 6.750 -7.137 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.623 -6.225 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.715 -7.959 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.689 -4.943 0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.827 -9.057 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.132 -4.748 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 29 12.272 -8.862 1.500 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.395 -6.709 1.255 1.00 0.00 H new ATOM 442 N VAL A 30 9.629 -6.986 -2.790 1.00 0.00 N ATOM 443 CA VAL A 30 10.523 -6.210 -3.633 1.00 0.00 C ATOM 444 C VAL A 30 9.698 -5.257 -4.501 1.00 0.00 C ATOM 445 O VAL A 30 9.963 -4.056 -4.534 1.00 0.00 O ATOM 446 CB VAL A 30 11.412 -7.146 -4.453 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.520 -6.671 -5.903 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.797 -7.283 -3.817 1.00 0.00 C ATOM 0 H VAL A 30 9.819 -7.988 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 30 11.190 -5.601 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 30 10.946 -8.131 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.158 -7.355 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.528 -6.649 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.952 -5.670 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.409 -7.954 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.273 -6.304 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.697 -7.689 -2.811 1.00 0.00 H new ATOM 458 N PRO A 31 8.690 -5.843 -5.201 1.00 0.00 N ATOM 459 CA PRO A 31 7.826 -5.059 -6.066 1.00 0.00 C ATOM 460 C PRO A 31 6.827 -4.239 -5.247 1.00 0.00 C ATOM 461 O PRO A 31 6.272 -3.258 -5.739 1.00 0.00 O ATOM 462 CB PRO A 31 7.155 -6.074 -6.976 1.00 0.00 C ATOM 463 CG PRO A 31 7.311 -7.420 -6.286 1.00 0.00 C ATOM 464 CD PRO A 31 8.348 -7.262 -5.186 1.00 0.00 C ATOM 0 HA PRO A 31 8.375 -4.321 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.103 -5.831 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.621 -6.084 -7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.359 -7.748 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.625 -8.181 -7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.947 -7.563 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.224 -7.883 -5.375 1.00 0.00 H new ATOM 472 N VAL A 32 6.629 -4.672 -4.010 1.00 0.00 N ATOM 473 CA VAL A 32 5.707 -3.990 -3.118 1.00 0.00 C ATOM 474 C VAL A 32 6.306 -2.645 -2.703 1.00 0.00 C ATOM 475 O VAL A 32 5.595 -1.645 -2.618 1.00 0.00 O ATOM 476 CB VAL A 32 5.372 -4.889 -1.926 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.474 -4.159 -0.924 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.727 -6.197 -2.389 1.00 0.00 C ATOM 0 H VAL A 32 7.091 -5.486 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 32 4.766 -3.783 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 32 6.306 -5.137 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.251 -4.820 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.986 -3.269 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.545 -3.867 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.499 -6.817 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.807 -5.977 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.415 -6.730 -3.045 1.00 0.00 H new ATOM 488 N GLY A 33 7.607 -2.664 -2.456 1.00 0.00 N ATOM 489 CA GLY A 33 8.310 -1.458 -2.052 1.00 0.00 C ATOM 490 C GLY A 33 8.587 -0.556 -3.256 1.00 0.00 C ATOM 491 O GLY A 33 8.356 0.651 -3.198 1.00 0.00 O ATOM 0 H GLY A 33 8.193 -3.496 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.716 -0.916 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.250 -1.725 -1.569 1.00 0.00 H new ATOM 495 N ILE A 34 9.079 -1.175 -4.318 1.00 0.00 N ATOM 496 CA ILE A 34 9.391 -0.443 -5.534 1.00 0.00 C ATOM 497 C ILE A 34 8.105 0.158 -6.106 1.00 0.00 C ATOM 498 O ILE A 34 8.012 1.370 -6.291 1.00 0.00 O ATOM 499 CB ILE A 34 10.143 -1.339 -6.521 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.504 -1.753 -5.958 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.269 -0.663 -7.888 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.265 -2.630 -6.954 1.00 0.00 C ATOM 0 H ILE A 34 9.270 -2.176 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 34 10.063 0.387 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 34 9.564 -2.251 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.092 -0.864 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.365 -2.295 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.807 -1.320 -8.571 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.275 -0.461 -8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.815 0.275 -7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.229 -2.910 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.686 -3.529 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.423 -2.076 -7.879 1.00 0.00 H new ATOM 514 N ALA A 35 7.147 -0.718 -6.370 1.00 0.00 N ATOM 515 CA ALA A 35 5.871 -0.288 -6.916 1.00 0.00 C ATOM 516 C ALA A 35 5.148 0.584 -5.888 1.00 0.00 C ATOM 517 O ALA A 35 4.540 1.593 -6.243 1.00 0.00 O ATOM 518 CB ALA A 35 5.050 -1.514 -7.321 1.00 0.00 C ATOM 0 H ALA A 35 7.229 -1.723 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 35 6.021 0.315 -7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.093 -1.192 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.594 -2.083 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.878 -2.142 -6.447 1.00 0.00 H new ATOM 524 N GLY A 36 5.237 0.163 -4.635 1.00 0.00 N ATOM 525 CA GLY A 36 4.599 0.893 -3.553 1.00 0.00 C ATOM 526 C GLY A 36 5.091 2.341 -3.504 1.00 0.00 C ATOM 527 O GLY A 36 4.295 3.266 -3.352 1.00 0.00 O ATOM 0 H GLY A 36 5.741 -0.675 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.517 0.877 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.810 0.401 -2.603 1.00 0.00 H new ATOM 531 N PHE A 37 6.401 2.492 -3.635 1.00 0.00 N ATOM 532 CA PHE A 37 7.009 3.812 -3.607 1.00 0.00 C ATOM 533 C PHE A 37 6.565 4.645 -4.811 1.00 0.00 C ATOM 534 O PHE A 37 6.169 5.800 -4.660 1.00 0.00 O ATOM 535 CB PHE A 37 8.523 3.608 -3.673 1.00 0.00 C ATOM 536 CG PHE A 37 9.335 4.852 -3.305 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.473 5.864 -4.203 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.919 4.945 -2.080 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.226 7.018 -3.861 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.672 6.099 -1.739 1.00 0.00 C ATOM 541 CZ PHE A 37 10.810 7.111 -2.636 1.00 0.00 C ATOM 0 H PHE A 37 7.058 1.722 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 37 6.709 4.341 -2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.799 2.795 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.794 3.295 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.010 5.790 -5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.810 4.141 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.335 7.822 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.136 6.173 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.383 7.989 -2.376 1.00 0.00 H new ATOM 551 N ALA A 38 6.647 4.027 -5.980 1.00 0.00 N ATOM 552 CA ALA A 38 6.258 4.697 -7.210 1.00 0.00 C ATOM 553 C ALA A 38 4.808 5.168 -7.093 1.00 0.00 C ATOM 554 O ALA A 38 4.529 6.363 -7.188 1.00 0.00 O ATOM 555 CB ALA A 38 6.471 3.753 -8.395 1.00 0.00 C ATOM 0 H ALA A 38 6.977 3.070 -6.102 1.00 0.00 H new ATOM 0 HA ALA A 38 6.877 5.578 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.179 4.255 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.523 3.472 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.863 2.858 -8.261 1.00 0.00 H new ATOM 561 N ALA A 39 3.921 4.205 -6.887 1.00 0.00 N ATOM 562 CA ALA A 39 2.506 4.507 -6.756 1.00 0.00 C ATOM 563 C ALA A 39 2.312 5.559 -5.662 1.00 0.00 C ATOM 564 O ALA A 39 1.794 6.644 -5.924 1.00 0.00 O ATOM 565 CB ALA A 39 1.733 3.218 -6.469 1.00 0.00 C ATOM 0 H ALA A 39 4.155 3.215 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 39 2.115 4.922 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.671 3.445 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.880 2.515 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.097 2.774 -5.542 1.00 0.00 H new ATOM 571 N ILE A 40 2.738 5.202 -4.460 1.00 0.00 N ATOM 572 CA ILE A 40 2.618 6.101 -3.325 1.00 0.00 C ATOM 573 C ILE A 40 2.946 7.527 -3.774 1.00 0.00 C ATOM 574 O ILE A 40 2.154 8.445 -3.566 1.00 0.00 O ATOM 575 CB ILE A 40 3.478 5.611 -2.159 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.855 4.380 -1.498 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.731 6.735 -1.153 1.00 0.00 C ATOM 578 CD1 ILE A 40 3.898 3.603 -0.692 1.00 0.00 C ATOM 0 H ILE A 40 3.167 4.302 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 40 1.594 6.110 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 40 4.448 5.309 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.040 4.688 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.424 3.732 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.345 6.359 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.249 7.556 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.779 7.092 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.429 2.733 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.700 3.276 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.310 4.246 0.086 1.00 0.00 H new ATOM 590 N VAL A 41 4.115 7.668 -4.381 1.00 0.00 N ATOM 591 CA VAL A 41 4.557 8.967 -4.860 1.00 0.00 C ATOM 592 C VAL A 41 3.437 9.613 -5.678 1.00 0.00 C ATOM 593 O VAL A 41 2.974 10.704 -5.350 1.00 0.00 O ATOM 594 CB VAL A 41 5.861 8.818 -5.647 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.100 10.032 -6.548 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.046 8.592 -4.706 1.00 0.00 C ATOM 0 H VAL A 41 4.770 6.905 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 41 4.771 9.630 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 41 5.768 7.940 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.033 9.900 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.275 10.129 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.162 10.932 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.960 8.489 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.141 9.442 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.882 7.684 -4.126 1.00 0.00 H new ATOM 606 N ALA A 42 3.032 8.911 -6.726 1.00 0.00 N ATOM 607 CA ALA A 42 1.974 9.402 -7.593 1.00 0.00 C ATOM 608 C ALA A 42 0.787 9.848 -6.738 1.00 0.00 C ATOM 609 O ALA A 42 0.391 11.012 -6.778 1.00 0.00 O ATOM 610 CB ALA A 42 1.592 8.314 -8.599 1.00 0.00 C ATOM 0 H ALA A 42 3.418 8.006 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 42 2.314 10.267 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.798 8.682 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.463 8.053 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.242 7.431 -8.064 1.00 0.00 H new ATOM 616 N TYR A 43 0.251 8.899 -5.984 1.00 0.00 N ATOM 617 CA TYR A 43 -0.884 9.180 -5.121 1.00 0.00 C ATOM 618 C TYR A 43 -0.769 10.574 -4.501 1.00 0.00 C ATOM 619 O TYR A 43 -1.635 11.423 -4.708 1.00 0.00 O ATOM 620 CB TYR A 43 -0.835 8.134 -4.006 1.00 0.00 C ATOM 621 CG TYR A 43 -2.098 7.277 -3.901 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.316 7.872 -3.641 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.020 5.909 -4.066 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.505 7.066 -3.542 1.00 0.00 C ATOM 625 CE2 TYR A 43 -3.209 5.103 -3.967 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.393 5.721 -3.710 1.00 0.00 C ATOM 627 OH TYR A 43 -5.516 4.960 -3.616 1.00 0.00 O ATOM 0 H TYR A 43 0.582 7.935 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.815 9.144 -5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.022 7.481 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.671 8.640 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.377 8.942 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.067 5.443 -4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.464 7.519 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.162 4.032 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.286 4.018 -3.759 1.00 0.00 H new ATOM 637 N GLY A 44 0.308 10.768 -3.753 1.00 0.00 N ATOM 638 CA GLY A 44 0.547 12.044 -3.102 1.00 0.00 C ATOM 639 C GLY A 44 0.495 13.193 -4.111 1.00 0.00 C ATOM 640 O GLY A 44 -0.306 14.115 -3.967 1.00 0.00 O ATOM 0 H GLY A 44 1.025 10.062 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.199 12.205 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.521 12.030 -2.612 1.00 0.00 H new ATOM 644 N LEU A 45 1.361 13.100 -5.110 1.00 0.00 N ATOM 645 CA LEU A 45 1.424 14.120 -6.143 1.00 0.00 C ATOM 646 C LEU A 45 0.004 14.541 -6.525 1.00 0.00 C ATOM 647 O LEU A 45 -0.305 15.731 -6.568 1.00 0.00 O ATOM 648 CB LEU A 45 2.261 13.633 -7.327 1.00 0.00 C ATOM 649 CG LEU A 45 2.681 14.702 -8.337 1.00 0.00 C ATOM 650 CD1 LEU A 45 3.981 15.384 -7.905 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.783 14.116 -9.747 1.00 0.00 C ATOM 0 H LEU A 45 2.025 12.334 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 45 1.931 15.010 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.160 13.156 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.695 12.865 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 45 1.907 15.469 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.257 16.140 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.838 15.858 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.775 14.641 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.083 14.898 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.524 13.317 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.814 13.716 -10.046 1.00 0.00 H new ATOM 663 N TYR A 46 -0.823 13.541 -6.795 1.00 0.00 N ATOM 664 CA TYR A 46 -2.203 13.793 -7.173 1.00 0.00 C ATOM 665 C TYR A 46 -2.996 14.372 -5.999 1.00 0.00 C ATOM 666 O TYR A 46 -3.728 15.347 -6.161 1.00 0.00 O ATOM 667 CB TYR A 46 -2.793 12.431 -7.548 1.00 0.00 C ATOM 668 CG TYR A 46 -4.280 12.474 -7.902 1.00 0.00 C ATOM 669 CD1 TYR A 46 -5.230 12.379 -6.906 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.672 12.606 -9.219 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.630 12.419 -7.239 1.00 0.00 C ATOM 672 CE2 TYR A 46 -6.073 12.646 -9.553 1.00 0.00 C ATOM 673 CZ TYR A 46 -6.983 12.550 -8.546 1.00 0.00 C ATOM 674 OH TYR A 46 -8.305 12.588 -8.861 1.00 0.00 O ATOM 0 H TYR A 46 -0.564 12.555 -6.759 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.252 14.510 -7.992 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.240 12.028 -8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.648 11.742 -6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.923 12.275 -5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.929 12.679 -9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.383 12.347 -6.468 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.393 12.750 -10.579 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.408 12.686 -9.831 1.00 0.00 H new ATOM 684 N LYS A 47 -2.823 13.747 -4.844 1.00 0.00 N ATOM 685 CA LYS A 47 -3.513 14.189 -3.644 1.00 0.00 C ATOM 686 C LYS A 47 -3.199 15.665 -3.393 1.00 0.00 C ATOM 687 O LYS A 47 -4.102 16.464 -3.150 1.00 0.00 O ATOM 688 CB LYS A 47 -3.171 13.278 -2.463 1.00 0.00 C ATOM 689 CG LYS A 47 -4.380 13.093 -1.544 1.00 0.00 C ATOM 690 CD LYS A 47 -4.872 11.645 -1.571 1.00 0.00 C ATOM 691 CE LYS A 47 -5.146 11.133 -0.156 1.00 0.00 C ATOM 692 NZ LYS A 47 -6.584 11.262 0.173 1.00 0.00 N ATOM 0 H LYS A 47 -2.215 12.938 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.592 14.111 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.839 12.308 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.342 13.705 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.112 13.371 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.184 13.760 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.781 11.577 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.126 11.013 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.841 10.090 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.551 11.696 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.753 10.910 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.865 12.262 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.146 10.705 -0.502 1.00 0.00 H new ATOM 706 N LEU A 48 -1.914 15.983 -3.462 1.00 0.00 N ATOM 707 CA LEU A 48 -1.469 17.350 -3.246 1.00 0.00 C ATOM 708 C LEU A 48 -2.432 18.312 -3.945 1.00 0.00 C ATOM 709 O LEU A 48 -3.099 19.112 -3.291 1.00 0.00 O ATOM 710 CB LEU A 48 -0.012 17.514 -3.683 1.00 0.00 C ATOM 711 CG LEU A 48 0.844 18.449 -2.826 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.331 18.127 -2.980 1.00 0.00 C ATOM 713 CD2 LEU A 48 0.538 19.915 -3.143 1.00 0.00 C ATOM 0 H LEU A 48 -1.167 15.318 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.489 17.594 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.457 16.530 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.000 17.882 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 48 0.587 18.285 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.916 18.806 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.515 17.100 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.623 18.245 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.159 20.559 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.750 20.112 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.513 20.119 -2.940 1.00 0.00 H new ATOM 725 N LYS A 49 -2.475 18.201 -5.265 1.00 0.00 N ATOM 726 CA LYS A 49 -3.345 19.052 -6.059 1.00 0.00 C ATOM 727 C LYS A 49 -4.734 19.092 -5.419 1.00 0.00 C ATOM 728 O LYS A 49 -5.263 18.060 -5.009 1.00 0.00 O ATOM 729 CB LYS A 49 -3.354 18.594 -7.519 1.00 0.00 C ATOM 730 CG LYS A 49 -3.299 19.792 -8.469 1.00 0.00 C ATOM 731 CD LYS A 49 -4.082 19.510 -9.753 1.00 0.00 C ATOM 732 CE LYS A 49 -3.981 20.687 -10.726 1.00 0.00 C ATOM 733 NZ LYS A 49 -4.143 20.220 -12.121 1.00 0.00 N ATOM 0 H LYS A 49 -1.922 17.535 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.970 20.075 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.502 17.939 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.253 18.010 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.710 20.672 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.261 20.019 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.697 18.607 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.128 19.322 -9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.747 21.427 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.016 21.180 -10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.072 21.030 -12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.397 19.531 -12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.074 19.770 -12.230 1.00 0.00 H new ATOM 747 N SER A 50 -5.285 20.295 -5.353 1.00 0.00 N ATOM 748 CA SER A 50 -6.603 20.483 -4.770 1.00 0.00 C ATOM 749 C SER A 50 -7.657 20.571 -5.875 1.00 0.00 C ATOM 750 O SER A 50 -8.136 21.657 -6.196 1.00 0.00 O ATOM 751 CB SER A 50 -6.644 21.739 -3.896 1.00 0.00 C ATOM 752 OG SER A 50 -7.946 21.980 -3.370 1.00 0.00 O ATOM 0 H SER A 50 -4.843 21.149 -5.693 1.00 0.00 H new ATOM 0 HA SER A 50 -6.822 19.624 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.935 21.633 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.325 22.600 -4.483 1.00 0.00 H new ATOM 0 HG SER A 50 -7.931 22.789 -2.817 1.00 0.00 H new ATOM 758 N ARG A 51 -7.987 19.412 -6.427 1.00 0.00 N ATOM 759 CA ARG A 51 -8.976 19.345 -7.489 1.00 0.00 C ATOM 760 C ARG A 51 -9.380 17.891 -7.746 1.00 0.00 C ATOM 761 O ARG A 51 -8.749 17.200 -8.544 1.00 0.00 O ATOM 762 CB ARG A 51 -8.435 19.953 -8.785 1.00 0.00 C ATOM 763 CG ARG A 51 -9.495 19.926 -9.888 1.00 0.00 C ATOM 764 CD ARG A 51 -9.216 18.803 -10.888 1.00 0.00 C ATOM 765 NE ARG A 51 -10.168 17.689 -10.678 1.00 0.00 N ATOM 766 CZ ARG A 51 -10.138 16.528 -11.365 1.00 0.00 C ATOM 767 NH1 ARG A 51 -9.203 16.318 -12.315 1.00 0.00 N ATOM 768 NH2 ARG A 51 -11.038 15.601 -11.095 1.00 0.00 N ATOM 0 H ARG A 51 -7.587 18.513 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.847 19.917 -7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.119 20.980 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.553 19.401 -9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.482 19.787 -9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.510 20.885 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.305 19.181 -11.906 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.193 18.445 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.892 17.806 -9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.512 17.040 -12.519 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.188 15.437 -12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.742 15.768 -10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.029 14.718 -11.605 1.00 0.00 H new ATOM 782 N GLY A 52 -10.429 17.471 -7.055 1.00 0.00 N ATOM 783 CA GLY A 52 -10.925 16.113 -7.199 1.00 0.00 C ATOM 784 C GLY A 52 -10.423 15.223 -6.060 1.00 0.00 C ATOM 785 O GLY A 52 -9.220 15.013 -5.915 1.00 0.00 O ATOM 0 H GLY A 52 -10.949 18.047 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.015 16.119 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.601 15.703 -8.156 1.00 0.00 H new ATOM 789 N ASN A 53 -11.371 14.724 -5.280 1.00 0.00 N ATOM 790 CA ASN A 53 -11.040 13.862 -4.158 1.00 0.00 C ATOM 791 C ASN A 53 -9.956 14.529 -3.309 1.00 0.00 C ATOM 792 O ASN A 53 -8.769 14.418 -3.612 1.00 0.00 O ATOM 793 CB ASN A 53 -10.500 12.514 -4.640 1.00 0.00 C ATOM 794 CG ASN A 53 -11.397 11.365 -4.174 1.00 0.00 C ATOM 795 OD1 ASN A 53 -12.441 11.563 -3.573 1.00 0.00 O ATOM 796 ND2 ASN A 53 -10.933 10.158 -4.482 1.00 0.00 N ATOM 0 H ASN A 53 -12.368 14.900 -5.403 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.949 13.701 -3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.436 12.512 -5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.489 12.367 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.458 9.326 -4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.052 10.064 -4.987 1.00 0.00 H new ATOM 803 N THR A 54 -10.403 15.209 -2.263 1.00 0.00 N ATOM 804 CA THR A 54 -9.486 15.894 -1.369 1.00 0.00 C ATOM 805 C THR A 54 -9.840 15.594 0.089 1.00 0.00 C ATOM 806 O THR A 54 -10.930 15.928 0.549 1.00 0.00 O ATOM 807 CB THR A 54 -9.521 17.386 -1.708 1.00 0.00 C ATOM 808 OG1 THR A 54 -10.893 17.645 -1.993 1.00 0.00 O ATOM 809 CG2 THR A 54 -8.801 17.705 -3.020 1.00 0.00 C ATOM 0 H THR A 54 -11.388 15.300 -2.015 1.00 0.00 H new ATOM 0 HA THR A 54 -8.464 15.540 -1.503 1.00 0.00 H new ATOM 0 HB THR A 54 -9.065 17.954 -0.897 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.452 17.267 -1.282 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.855 18.776 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.757 17.402 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.278 17.164 -3.837 1.00 0.00 H new ATOM 817 N LYS A 55 -8.896 14.967 0.776 1.00 0.00 N ATOM 818 CA LYS A 55 -9.094 14.618 2.173 1.00 0.00 C ATOM 819 C LYS A 55 -7.733 14.407 2.839 1.00 0.00 C ATOM 820 O LYS A 55 -7.457 13.332 3.369 1.00 0.00 O ATOM 821 CB LYS A 55 -10.032 13.416 2.297 1.00 0.00 C ATOM 822 CG LYS A 55 -11.433 13.856 2.728 1.00 0.00 C ATOM 823 CD LYS A 55 -12.327 12.645 3.004 1.00 0.00 C ATOM 824 CE LYS A 55 -13.282 12.391 1.836 1.00 0.00 C ATOM 825 NZ LYS A 55 -14.685 12.380 2.307 1.00 0.00 N ATOM 0 H LYS A 55 -7.992 14.692 0.391 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.586 15.433 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.089 12.894 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.629 12.709 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.365 14.474 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.880 14.473 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.709 11.763 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.899 12.811 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.153 13.164 1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.043 11.438 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.320 12.206 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.808 11.627 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.914 13.299 2.737 1.00 0.00 H new ATOM 839 N MET A 56 -6.919 15.451 2.792 1.00 0.00 N ATOM 840 CA MET A 56 -5.593 15.394 3.384 1.00 0.00 C ATOM 841 C MET A 56 -4.958 16.785 3.442 1.00 0.00 C ATOM 842 O MET A 56 -5.008 17.535 2.468 1.00 0.00 O ATOM 843 CB MET A 56 -4.705 14.460 2.560 1.00 0.00 C ATOM 844 CG MET A 56 -4.072 13.383 3.443 1.00 0.00 C ATOM 845 SD MET A 56 -2.356 13.165 3.004 1.00 0.00 S ATOM 846 CE MET A 56 -1.760 12.351 4.477 1.00 0.00 C ATOM 0 H MET A 56 -7.152 16.342 2.353 1.00 0.00 H new ATOM 0 HA MET A 56 -5.686 15.016 4.402 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.296 13.990 1.774 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.923 15.037 2.067 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.154 13.667 4.492 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.609 12.442 3.324 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.811 11.860 4.263 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.617 13.088 5.267 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.488 11.607 4.801 1.00 0.00 H new ATOM 856 N SER A 57 -4.374 17.087 4.592 1.00 0.00 N ATOM 857 CA SER A 57 -3.730 18.374 4.789 1.00 0.00 C ATOM 858 C SER A 57 -3.045 18.412 6.157 1.00 0.00 C ATOM 859 O SER A 57 -3.669 18.761 7.158 1.00 0.00 O ATOM 860 CB SER A 57 -4.737 19.519 4.668 1.00 0.00 C ATOM 861 OG SER A 57 -4.102 20.794 4.693 1.00 0.00 O ATOM 0 H SER A 57 -4.333 16.462 5.397 1.00 0.00 H new ATOM 0 HA SER A 57 -2.979 18.503 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.298 19.412 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.457 19.456 5.484 1.00 0.00 H new ATOM 0 HG SER A 57 -4.779 21.498 4.612 1.00 0.00 H new ATOM 867 N ILE A 58 -1.771 18.049 6.155 1.00 0.00 N ATOM 868 CA ILE A 58 -0.994 18.037 7.384 1.00 0.00 C ATOM 869 C ILE A 58 -1.062 19.419 8.037 1.00 0.00 C ATOM 870 O ILE A 58 -1.551 19.557 9.158 1.00 0.00 O ATOM 871 CB ILE A 58 0.432 17.555 7.112 1.00 0.00 C ATOM 872 CG1 ILE A 58 0.432 16.122 6.574 1.00 0.00 C ATOM 873 CG2 ILE A 58 1.307 17.699 8.358 1.00 0.00 C ATOM 874 CD1 ILE A 58 0.091 15.121 7.679 1.00 0.00 C ATOM 0 H ILE A 58 -1.257 17.761 5.322 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.415 17.326 8.095 1.00 0.00 H new ATOM 0 HB ILE A 58 0.866 18.190 6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.291 16.034 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.410 15.887 6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.315 17.349 8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.344 18.746 8.658 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.886 17.104 9.169 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.098 14.111 7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.830 15.194 8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.898 15.344 8.079 1.00 0.00 H new ATOM 886 N HIS A 59 -0.563 20.408 7.310 1.00 0.00 N ATOM 887 CA HIS A 59 -0.561 21.774 7.805 1.00 0.00 C ATOM 888 C HIS A 59 0.576 21.952 8.813 1.00 0.00 C ATOM 889 O HIS A 59 0.359 21.864 10.021 1.00 0.00 O ATOM 890 CB HIS A 59 -1.928 22.145 8.381 1.00 0.00 C ATOM 891 CG HIS A 59 -2.277 23.608 8.242 1.00 0.00 C ATOM 892 ND1 HIS A 59 -3.050 24.286 9.168 1.00 0.00 N ATOM 893 CD2 HIS A 59 -1.949 24.514 7.276 1.00 0.00 C ATOM 894 CE1 HIS A 59 -3.177 25.543 8.767 1.00 0.00 C ATOM 895 NE2 HIS A 59 -2.494 25.682 7.594 1.00 0.00 N ATOM 0 H HIS A 59 -0.157 20.290 6.382 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.380 22.464 6.980 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.694 21.550 7.883 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.951 21.875 9.437 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.348 24.315 6.401 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.725 26.320 9.279 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.415 26.542 7.051 1.00 0.00 H new ATOM 903 N LEU A 60 1.764 22.199 8.280 1.00 0.00 N ATOM 904 CA LEU A 60 2.935 22.391 9.118 1.00 0.00 C ATOM 905 C LEU A 60 4.043 23.052 8.296 1.00 0.00 C ATOM 906 O LEU A 60 4.185 24.274 8.310 1.00 0.00 O ATOM 907 CB LEU A 60 3.354 21.068 9.763 1.00 0.00 C ATOM 908 CG LEU A 60 3.118 20.952 11.270 1.00 0.00 C ATOM 909 CD1 LEU A 60 2.914 19.492 11.682 1.00 0.00 C ATOM 910 CD2 LEU A 60 4.250 21.616 12.056 1.00 0.00 C ATOM 0 H LEU A 60 1.940 22.271 7.278 1.00 0.00 H new ATOM 0 HA LEU A 60 2.706 23.064 9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.817 20.259 9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.415 20.912 9.568 1.00 0.00 H new ATOM 0 HG LEU A 60 2.200 21.487 11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.748 19.437 12.758 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.048 19.084 11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.800 18.913 11.422 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.057 21.519 13.124 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.195 21.131 11.813 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.306 22.672 11.792 1.00 0.00 H new ATOM 922 N ILE A 61 4.798 22.216 7.600 1.00 0.00 N ATOM 923 CA ILE A 61 5.889 22.705 6.773 1.00 0.00 C ATOM 924 C ILE A 61 5.895 21.947 5.444 1.00 0.00 C ATOM 925 O ILE A 61 5.866 22.557 4.377 1.00 0.00 O ATOM 926 CB ILE A 61 7.215 22.626 7.533 1.00 0.00 C ATOM 927 CG1 ILE A 61 7.231 23.603 8.710 1.00 0.00 C ATOM 928 CG2 ILE A 61 8.400 22.842 6.591 1.00 0.00 C ATOM 929 CD1 ILE A 61 7.518 25.029 8.235 1.00 0.00 C ATOM 0 H ILE A 61 4.677 21.203 7.591 1.00 0.00 H new ATOM 0 HA ILE A 61 5.746 23.760 6.538 1.00 0.00 H new ATOM 0 HB ILE A 61 7.313 21.623 7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.271 23.574 9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.989 23.297 9.431 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.330 22.781 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.394 22.074 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.321 23.825 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.524 25.703 9.091 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.490 25.060 7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.745 25.341 7.533 1.00 0.00 H new ATOM 941 N HIS A 62 5.934 20.627 5.553 1.00 0.00 N ATOM 942 CA HIS A 62 5.945 19.779 4.373 1.00 0.00 C ATOM 943 C HIS A 62 4.883 18.686 4.517 1.00 0.00 C ATOM 944 O HIS A 62 5.071 17.728 5.264 1.00 0.00 O ATOM 945 CB HIS A 62 7.345 19.215 4.122 1.00 0.00 C ATOM 946 CG HIS A 62 7.955 18.529 5.321 1.00 0.00 C ATOM 947 ND1 HIS A 62 8.456 17.240 5.272 1.00 0.00 N ATOM 948 CD2 HIS A 62 8.140 18.966 6.599 1.00 0.00 C ATOM 949 CE1 HIS A 62 8.919 16.925 6.473 1.00 0.00 C ATOM 950 NE2 HIS A 62 8.722 17.996 7.294 1.00 0.00 N ATOM 0 H HIS A 62 5.958 20.124 6.440 1.00 0.00 H new ATOM 0 HA HIS A 62 5.692 20.371 3.493 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.297 18.506 3.296 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.001 20.026 3.808 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.861 19.937 6.981 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.373 15.986 6.752 1.00 0.00 H new ATOM 0 HE2 HIS A 62 8.979 18.044 8.280 1.00 0.00 H new ATOM 958 N MET A 63 3.791 18.868 3.789 1.00 0.00 N ATOM 959 CA MET A 63 2.699 17.910 3.826 1.00 0.00 C ATOM 960 C MET A 63 2.744 16.981 2.611 1.00 0.00 C ATOM 961 O MET A 63 1.904 17.080 1.718 1.00 0.00 O ATOM 962 CB MET A 63 1.364 18.657 3.848 1.00 0.00 C ATOM 963 CG MET A 63 1.162 19.457 2.559 1.00 0.00 C ATOM 964 SD MET A 63 -0.380 18.994 1.790 1.00 0.00 S ATOM 965 CE MET A 63 -1.473 20.188 2.543 1.00 0.00 C ATOM 0 H MET A 63 3.639 19.664 3.170 1.00 0.00 H new ATOM 0 HA MET A 63 2.802 17.305 4.727 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.547 17.946 3.971 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.333 19.329 4.706 1.00 0.00 H new ATOM 0 HG2 MET A 63 1.162 20.524 2.780 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.989 19.273 1.874 1.00 0.00 H new ATOM 0 HE1 MET A 63 -2.503 19.962 2.268 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.369 20.144 3.627 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.215 21.188 2.194 1.00 0.00 H new ATOM 975 N ARG A 64 3.732 16.099 2.616 1.00 0.00 N ATOM 976 CA ARG A 64 3.897 15.153 1.526 1.00 0.00 C ATOM 977 C ARG A 64 4.922 14.081 1.904 1.00 0.00 C ATOM 978 O ARG A 64 4.565 12.924 2.120 1.00 0.00 O ATOM 979 CB ARG A 64 4.356 15.859 0.249 1.00 0.00 C ATOM 980 CG ARG A 64 4.530 14.861 -0.898 1.00 0.00 C ATOM 981 CD ARG A 64 5.759 15.203 -1.741 1.00 0.00 C ATOM 982 NE ARG A 64 5.432 15.093 -3.181 1.00 0.00 N ATOM 983 CZ ARG A 64 5.445 13.934 -3.873 1.00 0.00 C ATOM 984 NH1 ARG A 64 5.768 12.775 -3.262 1.00 0.00 N ATOM 985 NH2 ARG A 64 5.136 13.952 -5.156 1.00 0.00 N ATOM 0 H ARG A 64 4.427 16.019 3.358 1.00 0.00 H new ATOM 0 HA ARG A 64 2.929 14.687 1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.627 16.619 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.299 16.375 0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.630 13.853 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.640 14.866 -1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.097 16.214 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.579 14.529 -1.493 1.00 0.00 H new ATOM 0 HE ARG A 64 5.181 15.946 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.005 12.770 -2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.775 11.904 -3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.892 14.833 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.141 13.085 -5.694 1.00 0.00 H new ATOM 999 N VAL A 65 6.176 14.504 1.971 1.00 0.00 N ATOM 1000 CA VAL A 65 7.255 13.595 2.319 1.00 0.00 C ATOM 1001 C VAL A 65 7.081 13.135 3.768 1.00 0.00 C ATOM 1002 O VAL A 65 7.073 11.937 4.046 1.00 0.00 O ATOM 1003 CB VAL A 65 8.606 14.264 2.062 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.744 13.466 2.702 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.846 14.457 0.563 1.00 0.00 C ATOM 0 H VAL A 65 6.469 15.464 1.790 1.00 0.00 H new ATOM 0 HA VAL A 65 7.223 12.706 1.690 1.00 0.00 H new ATOM 0 HB VAL A 65 8.586 15.249 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.693 13.964 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.584 13.404 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.766 12.461 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.813 14.935 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.836 13.487 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.060 15.087 0.147 1.00 0.00 H new ATOM 1015 N ALA A 66 6.947 14.112 4.653 1.00 0.00 N ATOM 1016 CA ALA A 66 6.775 13.823 6.067 1.00 0.00 C ATOM 1017 C ALA A 66 5.675 12.773 6.237 1.00 0.00 C ATOM 1018 O ALA A 66 5.920 11.693 6.772 1.00 0.00 O ATOM 1019 CB ALA A 66 6.466 15.119 6.819 1.00 0.00 C ATOM 0 H ALA A 66 6.954 15.105 4.418 1.00 0.00 H new ATOM 0 HA ALA A 66 7.692 13.412 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.337 14.902 7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.290 15.820 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.550 15.559 6.425 1.00 0.00 H new ATOM 1025 N ALA A 67 4.486 13.128 5.773 1.00 0.00 N ATOM 1026 CA ALA A 67 3.347 12.230 5.867 1.00 0.00 C ATOM 1027 C ALA A 67 3.724 10.871 5.272 1.00 0.00 C ATOM 1028 O ALA A 67 3.201 9.840 5.691 1.00 0.00 O ATOM 1029 CB ALA A 67 2.141 12.859 5.167 1.00 0.00 C ATOM 0 H ALA A 67 4.286 14.025 5.331 1.00 0.00 H new ATOM 0 HA ALA A 67 3.071 12.069 6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.287 12.185 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.896 13.807 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.380 13.034 4.118 1.00 0.00 H new ATOM 1035 N GLN A 68 4.628 10.915 4.305 1.00 0.00 N ATOM 1036 CA GLN A 68 5.081 9.701 3.648 1.00 0.00 C ATOM 1037 C GLN A 68 5.934 8.866 4.605 1.00 0.00 C ATOM 1038 O GLN A 68 5.836 7.640 4.621 1.00 0.00 O ATOM 1039 CB GLN A 68 5.852 10.025 2.367 1.00 0.00 C ATOM 1040 CG GLN A 68 5.804 8.851 1.386 1.00 0.00 C ATOM 1041 CD GLN A 68 4.536 8.903 0.531 1.00 0.00 C ATOM 1042 OE1 GLN A 68 3.504 8.349 0.871 1.00 0.00 O ATOM 1043 NE2 GLN A 68 4.672 9.597 -0.595 1.00 0.00 N ATOM 0 H GLN A 68 5.059 11.773 3.960 1.00 0.00 H new ATOM 0 HA GLN A 68 4.206 9.115 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.428 10.913 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.889 10.257 2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.683 8.875 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.838 7.911 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.565 10.036 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.883 9.690 -1.235 1.00 0.00 H new ATOM 1052 N GLY A 69 6.751 9.564 5.381 1.00 0.00 N ATOM 1053 CA GLY A 69 7.620 8.902 6.339 1.00 0.00 C ATOM 1054 C GLY A 69 6.805 8.218 7.438 1.00 0.00 C ATOM 1055 O GLY A 69 7.039 7.053 7.755 1.00 0.00 O ATOM 0 H GLY A 69 6.829 10.581 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.237 8.164 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.298 9.630 6.784 1.00 0.00 H new ATOM 1059 N PHE A 70 5.865 8.971 7.989 1.00 0.00 N ATOM 1060 CA PHE A 70 5.014 8.452 9.046 1.00 0.00 C ATOM 1061 C PHE A 70 4.200 7.253 8.555 1.00 0.00 C ATOM 1062 O PHE A 70 4.290 6.164 9.121 1.00 0.00 O ATOM 1063 CB PHE A 70 4.055 9.577 9.441 1.00 0.00 C ATOM 1064 CG PHE A 70 2.969 9.150 10.431 1.00 0.00 C ATOM 1065 CD1 PHE A 70 1.873 8.477 9.990 1.00 0.00 C ATOM 1066 CD2 PHE A 70 3.101 9.442 11.753 1.00 0.00 C ATOM 1067 CE1 PHE A 70 0.865 8.081 10.909 1.00 0.00 C ATOM 1068 CE2 PHE A 70 2.093 9.046 12.672 1.00 0.00 C ATOM 1069 CZ PHE A 70 0.997 8.374 12.230 1.00 0.00 C ATOM 0 H PHE A 70 5.674 9.937 7.723 1.00 0.00 H new ATOM 0 HA PHE A 70 5.624 8.123 9.887 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.630 10.394 9.878 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.579 9.967 8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.769 8.243 8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.972 9.975 12.104 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.006 7.547 10.558 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.197 9.279 13.721 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.231 8.073 12.929 1.00 0.00 H new ATOM 1079 N VAL A 71 3.424 7.493 7.508 1.00 0.00 N ATOM 1080 CA VAL A 71 2.595 6.446 6.935 1.00 0.00 C ATOM 1081 C VAL A 71 3.459 5.216 6.650 1.00 0.00 C ATOM 1082 O VAL A 71 3.173 4.125 7.139 1.00 0.00 O ATOM 1083 CB VAL A 71 1.874 6.972 5.692 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.453 5.821 4.775 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.670 7.833 6.080 1.00 0.00 C ATOM 0 H VAL A 71 3.352 8.397 7.042 1.00 0.00 H new ATOM 0 HA VAL A 71 1.821 6.143 7.640 1.00 0.00 H new ATOM 0 HB VAL A 71 2.572 7.602 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.943 6.222 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.336 5.266 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.780 5.154 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.175 8.194 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.031 7.236 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.007 8.682 6.674 1.00 0.00 H new ATOM 1095 N VAL A 72 4.500 5.434 5.859 1.00 0.00 N ATOM 1096 CA VAL A 72 5.407 4.357 5.502 1.00 0.00 C ATOM 1097 C VAL A 72 5.694 3.506 6.742 1.00 0.00 C ATOM 1098 O VAL A 72 5.405 2.311 6.759 1.00 0.00 O ATOM 1099 CB VAL A 72 6.675 4.930 4.864 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.864 3.988 5.066 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.455 5.225 3.379 1.00 0.00 C ATOM 0 H VAL A 72 4.735 6.341 5.456 1.00 0.00 H new ATOM 0 HA VAL A 72 4.951 3.704 4.757 1.00 0.00 H new ATOM 0 HB VAL A 72 6.906 5.872 5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.752 4.419 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.041 3.850 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.647 3.024 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.371 5.631 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.188 4.304 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.649 5.950 3.268 1.00 0.00 H new ATOM 1111 N GLY A 73 6.259 4.156 7.748 1.00 0.00 N ATOM 1112 CA GLY A 73 6.588 3.475 8.989 1.00 0.00 C ATOM 1113 C GLY A 73 5.430 2.588 9.451 1.00 0.00 C ATOM 1114 O GLY A 73 5.628 1.415 9.762 1.00 0.00 O ATOM 0 H GLY A 73 6.498 5.148 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.482 2.868 8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.819 4.209 9.761 1.00 0.00 H new ATOM 1118 N ALA A 74 4.247 3.184 9.482 1.00 0.00 N ATOM 1119 CA ALA A 74 3.057 2.463 9.902 1.00 0.00 C ATOM 1120 C ALA A 74 2.860 1.244 8.998 1.00 0.00 C ATOM 1121 O ALA A 74 2.601 0.144 9.482 1.00 0.00 O ATOM 1122 CB ALA A 74 1.853 3.407 9.878 1.00 0.00 C ATOM 0 H ALA A 74 4.087 4.158 9.223 1.00 0.00 H new ATOM 0 HA ALA A 74 3.168 2.102 10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.960 2.866 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.031 4.241 10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.709 3.787 8.867 1.00 0.00 H new ATOM 1128 N MET A 75 2.990 1.482 7.701 1.00 0.00 N ATOM 1129 CA MET A 75 2.829 0.417 6.726 1.00 0.00 C ATOM 1130 C MET A 75 3.669 -0.805 7.104 1.00 0.00 C ATOM 1131 O MET A 75 3.132 -1.892 7.311 1.00 0.00 O ATOM 1132 CB MET A 75 3.254 0.921 5.345 1.00 0.00 C ATOM 1133 CG MET A 75 2.203 0.575 4.288 1.00 0.00 C ATOM 1134 SD MET A 75 2.496 -1.065 3.648 1.00 0.00 S ATOM 1135 CE MET A 75 2.683 -0.692 1.913 1.00 0.00 C ATOM 0 H MET A 75 3.205 2.396 7.303 1.00 0.00 H new ATOM 0 HA MET A 75 1.780 0.122 6.708 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.401 2.001 5.377 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.211 0.477 5.071 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.205 0.631 4.724 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.238 1.302 3.477 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.873 -1.613 1.361 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.770 -0.228 1.540 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.520 -0.007 1.776 1.00 0.00 H new ATOM 1145 N THR A 76 4.973 -0.585 7.183 1.00 0.00 N ATOM 1146 CA THR A 76 5.893 -1.654 7.533 1.00 0.00 C ATOM 1147 C THR A 76 5.434 -2.354 8.814 1.00 0.00 C ATOM 1148 O THR A 76 5.421 -3.582 8.884 1.00 0.00 O ATOM 1149 CB THR A 76 7.297 -1.056 7.637 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.158 -0.009 8.594 1.00 0.00 O ATOM 1151 CG2 THR A 76 7.723 -0.336 6.356 1.00 0.00 C ATOM 0 H THR A 76 5.415 0.318 7.011 1.00 0.00 H new ATOM 0 HA THR A 76 5.911 -2.427 6.765 1.00 0.00 H new ATOM 0 HB THR A 76 8.012 -1.846 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.239 0.331 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.727 0.070 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.719 -1.040 5.524 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.027 0.476 6.147 1.00 0.00 H new ATOM 1159 N VAL A 77 5.068 -1.543 9.795 1.00 0.00 N ATOM 1160 CA VAL A 77 4.610 -2.068 11.070 1.00 0.00 C ATOM 1161 C VAL A 77 3.477 -3.067 10.827 1.00 0.00 C ATOM 1162 O VAL A 77 3.491 -4.172 11.368 1.00 0.00 O ATOM 1163 CB VAL A 77 4.206 -0.919 11.995 1.00 0.00 C ATOM 1164 CG1 VAL A 77 3.286 -1.413 13.114 1.00 0.00 C ATOM 1165 CG2 VAL A 77 5.439 -0.218 12.569 1.00 0.00 C ATOM 0 H VAL A 77 5.079 -0.525 9.733 1.00 0.00 H new ATOM 0 HA VAL A 77 5.414 -2.604 11.573 1.00 0.00 H new ATOM 0 HB VAL A 77 3.652 -0.191 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.014 -0.576 13.757 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.384 -1.845 12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.804 -2.170 13.703 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.124 0.595 13.223 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.032 -0.933 13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.041 0.185 11.754 1.00 0.00 H new ATOM 1175 N GLY A 78 2.522 -2.643 10.013 1.00 0.00 N ATOM 1176 CA GLY A 78 1.383 -3.486 9.691 1.00 0.00 C ATOM 1177 C GLY A 78 1.839 -4.819 9.095 1.00 0.00 C ATOM 1178 O GLY A 78 1.410 -5.882 9.541 1.00 0.00 O ATOM 0 H GLY A 78 2.513 -1.726 9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.795 -3.668 10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.733 -2.971 8.984 1.00 0.00 H new ATOM 1182 N MET A 79 2.703 -4.719 8.095 1.00 0.00 N ATOM 1183 CA MET A 79 3.221 -5.904 7.433 1.00 0.00 C ATOM 1184 C MET A 79 3.744 -6.918 8.453 1.00 0.00 C ATOM 1185 O MET A 79 3.385 -8.093 8.406 1.00 0.00 O ATOM 1186 CB MET A 79 4.353 -5.505 6.484 1.00 0.00 C ATOM 1187 CG MET A 79 4.710 -6.656 5.542 1.00 0.00 C ATOM 1188 SD MET A 79 5.782 -7.816 6.373 1.00 0.00 S ATOM 1189 CE MET A 79 5.053 -9.353 5.833 1.00 0.00 C ATOM 0 H MET A 79 3.057 -3.836 7.728 1.00 0.00 H new ATOM 0 HA MET A 79 2.410 -6.367 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.054 -4.633 5.902 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.232 -5.217 7.061 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.802 -7.160 5.211 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.202 -6.268 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.605 -10.189 6.263 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.014 -9.398 6.160 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.094 -9.413 4.745 1.00 0.00 H new ATOM 1199 N GLY A 80 4.584 -6.425 9.351 1.00 0.00 N ATOM 1200 CA GLY A 80 5.160 -7.274 10.381 1.00 0.00 C ATOM 1201 C GLY A 80 4.068 -7.890 11.258 1.00 0.00 C ATOM 1202 O GLY A 80 4.156 -9.057 11.636 1.00 0.00 O ATOM 0 H GLY A 80 4.880 -5.449 9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.749 -8.066 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.842 -6.690 10.999 1.00 0.00 H new ATOM 1206 N TYR A 81 3.065 -7.077 11.556 1.00 0.00 N ATOM 1207 CA TYR A 81 1.957 -7.528 12.382 1.00 0.00 C ATOM 1208 C TYR A 81 1.028 -8.453 11.594 1.00 0.00 C ATOM 1209 O TYR A 81 0.183 -9.132 12.176 1.00 0.00 O ATOM 1210 CB TYR A 81 1.186 -6.267 12.777 1.00 0.00 C ATOM 1211 CG TYR A 81 0.367 -6.415 14.061 1.00 0.00 C ATOM 1212 CD1 TYR A 81 -0.882 -7.002 14.018 1.00 0.00 C ATOM 1213 CD2 TYR A 81 0.876 -5.963 15.261 1.00 0.00 C ATOM 1214 CE1 TYR A 81 -1.653 -7.142 15.226 1.00 0.00 C ATOM 1215 CE2 TYR A 81 0.105 -6.103 16.469 1.00 0.00 C ATOM 1216 CZ TYR A 81 -1.122 -6.686 16.392 1.00 0.00 C ATOM 1217 OH TYR A 81 -1.850 -6.818 17.533 1.00 0.00 O ATOM 0 H TYR A 81 2.996 -6.109 11.241 1.00 0.00 H new ATOM 0 HA TYR A 81 2.323 -8.083 13.246 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.892 -5.446 12.901 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.517 -5.992 11.961 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.281 -7.356 13.079 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.853 -5.504 15.294 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.631 -7.599 15.207 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.492 -5.753 17.415 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.345 -6.449 18.288 1.00 0.00 H new ATOM 1227 N SER A 82 1.215 -8.452 10.283 1.00 0.00 N ATOM 1228 CA SER A 82 0.404 -9.283 9.410 1.00 0.00 C ATOM 1229 C SER A 82 0.094 -10.615 10.095 1.00 0.00 C ATOM 1230 O SER A 82 0.881 -11.098 10.907 1.00 0.00 O ATOM 1231 CB SER A 82 1.106 -9.526 8.072 1.00 0.00 C ATOM 1232 OG SER A 82 0.390 -10.445 7.252 1.00 0.00 O ATOM 0 H SER A 82 1.917 -7.888 9.804 1.00 0.00 H new ATOM 0 HA SER A 82 -0.530 -8.758 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.217 -8.579 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.110 -9.909 8.254 1.00 0.00 H new ATOM 0 HG SER A 82 0.870 -10.572 6.407 1.00 0.00 H new ATOM 1238 N MET A 83 -1.057 -11.171 9.744 1.00 0.00 N ATOM 1239 CA MET A 83 -1.481 -12.437 10.315 1.00 0.00 C ATOM 1240 C MET A 83 -0.344 -13.460 10.287 1.00 0.00 C ATOM 1241 O MET A 83 0.724 -13.192 9.739 1.00 0.00 O ATOM 1242 CB MET A 83 -2.675 -12.979 9.526 1.00 0.00 C ATOM 1243 CG MET A 83 -2.281 -13.291 8.081 1.00 0.00 C ATOM 1244 SD MET A 83 -3.118 -12.177 6.966 1.00 0.00 S ATOM 1245 CE MET A 83 -4.735 -12.933 6.928 1.00 0.00 C ATOM 0 H MET A 83 -1.709 -10.767 9.071 1.00 0.00 H new ATOM 0 HA MET A 83 -1.767 -12.268 11.353 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.054 -13.881 10.006 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.484 -12.249 9.537 1.00 0.00 H new ATOM 0 HG2 MET A 83 -1.202 -13.196 7.961 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.539 -14.322 7.840 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.390 -12.359 6.272 1.00 0.00 H new ATOM 0 HE2 MET A 83 -4.651 -13.953 6.554 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.153 -12.949 7.935 1.00 0.00 H new ATOM 1255 N TYR A 84 -0.612 -14.612 10.884 1.00 0.00 N ATOM 1256 CA TYR A 84 0.376 -15.677 10.934 1.00 0.00 C ATOM 1257 C TYR A 84 1.545 -15.298 11.845 1.00 0.00 C ATOM 1258 O TYR A 84 1.826 -15.991 12.822 1.00 0.00 O ATOM 1259 CB TYR A 84 0.892 -15.841 9.503 1.00 0.00 C ATOM 1260 CG TYR A 84 1.154 -17.293 9.099 1.00 0.00 C ATOM 1261 CD1 TYR A 84 1.938 -18.101 9.898 1.00 0.00 C ATOM 1262 CD2 TYR A 84 0.607 -17.795 7.935 1.00 0.00 C ATOM 1263 CE1 TYR A 84 2.184 -19.468 9.517 1.00 0.00 C ATOM 1264 CE2 TYR A 84 0.854 -19.161 7.555 1.00 0.00 C ATOM 1265 CZ TYR A 84 1.630 -19.930 8.364 1.00 0.00 C ATOM 1266 OH TYR A 84 1.863 -21.221 8.005 1.00 0.00 O ATOM 0 H TYR A 84 -1.499 -14.831 11.337 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.066 -16.593 11.326 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.167 -15.408 8.814 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.815 -15.272 9.393 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.367 -17.708 10.808 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.006 -17.163 7.310 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.795 -20.112 10.133 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.432 -19.566 6.647 1.00 0.00 H new ATOM 0 HH TYR A 84 1.404 -21.414 7.161 1.00 0.00 H new ATOM 1276 N ARG A 85 2.195 -14.198 11.494 1.00 0.00 N ATOM 1277 CA ARG A 85 3.328 -13.719 12.267 1.00 0.00 C ATOM 1278 C ARG A 85 4.498 -14.698 12.158 1.00 0.00 C ATOM 1279 O ARG A 85 4.357 -15.779 11.588 1.00 0.00 O ATOM 1280 CB ARG A 85 2.954 -13.543 13.740 1.00 0.00 C ATOM 1281 CG ARG A 85 2.961 -12.065 14.136 1.00 0.00 C ATOM 1282 CD ARG A 85 3.045 -11.905 15.655 1.00 0.00 C ATOM 1283 NE ARG A 85 1.947 -11.035 16.134 1.00 0.00 N ATOM 1284 CZ ARG A 85 1.890 -10.501 17.373 1.00 0.00 C ATOM 1285 NH1 ARG A 85 2.870 -10.744 18.269 1.00 0.00 N ATOM 1286 NH2 ARG A 85 0.862 -9.738 17.694 1.00 0.00 N ATOM 0 H ARG A 85 1.958 -13.625 10.684 1.00 0.00 H new ATOM 0 HA ARG A 85 3.622 -12.751 11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.966 -13.967 13.921 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.657 -14.094 14.365 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.807 -11.563 13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.057 -11.581 13.765 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.983 -12.881 16.136 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.008 -11.475 15.931 1.00 0.00 H new ATOM 0 HE ARG A 85 1.186 -10.826 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.661 -11.335 18.012 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.820 -10.337 19.203 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.126 -9.560 17.010 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.803 -9.327 18.626 1.00 0.00 H new ATOM 1300 N GLU A 86 5.628 -14.285 12.715 1.00 0.00 N ATOM 1301 CA GLU A 86 6.822 -15.112 12.687 1.00 0.00 C ATOM 1302 C GLU A 86 7.323 -15.273 11.251 1.00 0.00 C ATOM 1303 O GLU A 86 6.724 -15.998 10.458 1.00 0.00 O ATOM 1304 CB GLU A 86 6.560 -16.475 13.332 1.00 0.00 C ATOM 1305 CG GLU A 86 7.838 -17.043 13.951 1.00 0.00 C ATOM 1306 CD GLU A 86 7.707 -18.548 14.195 1.00 0.00 C ATOM 1307 OE1 GLU A 86 6.876 -18.974 15.012 1.00 0.00 O ATOM 1308 OE2 GLU A 86 8.506 -19.285 13.501 1.00 0.00 O ATOM 0 H GLU A 86 5.741 -13.388 13.188 1.00 0.00 H new ATOM 0 HA GLU A 86 7.598 -14.614 13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.792 -16.377 14.100 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.175 -17.168 12.583 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.683 -16.850 13.290 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.047 -16.535 14.892 1.00 0.00 H new ATOM 1315 N PHE A 87 8.417 -14.586 10.959 1.00 0.00 N ATOM 1316 CA PHE A 87 9.006 -14.643 9.632 1.00 0.00 C ATOM 1317 C PHE A 87 10.447 -15.155 9.693 1.00 0.00 C ATOM 1318 O PHE A 87 11.019 -15.280 10.774 1.00 0.00 O ATOM 1319 CB PHE A 87 9.007 -13.216 9.081 1.00 0.00 C ATOM 1320 CG PHE A 87 9.373 -12.150 10.115 1.00 0.00 C ATOM 1321 CD1 PHE A 87 8.477 -11.800 11.077 1.00 0.00 C ATOM 1322 CD2 PHE A 87 10.594 -11.552 10.073 1.00 0.00 C ATOM 1323 CE1 PHE A 87 8.817 -10.810 12.037 1.00 0.00 C ATOM 1324 CE2 PHE A 87 10.934 -10.562 11.033 1.00 0.00 C ATOM 1325 CZ PHE A 87 10.038 -10.212 11.995 1.00 0.00 C ATOM 0 H PHE A 87 8.912 -13.986 11.619 1.00 0.00 H new ATOM 0 HA PHE A 87 8.434 -15.322 9.000 1.00 0.00 H new ATOM 0 HB2 PHE A 87 9.711 -13.159 8.251 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.019 -12.992 8.678 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.508 -12.275 11.111 1.00 0.00 H new ATOM 0 HD2 PHE A 87 11.305 -11.830 9.309 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.106 -10.532 12.801 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.903 -10.087 10.999 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.296 -9.459 12.725 1.00 0.00 H new ATOM 1335 N TRP A 88 10.991 -15.436 8.518 1.00 0.00 N ATOM 1336 CA TRP A 88 12.354 -15.931 8.424 1.00 0.00 C ATOM 1337 C TRP A 88 13.228 -15.090 9.357 1.00 0.00 C ATOM 1338 O TRP A 88 13.885 -15.625 10.248 1.00 0.00 O ATOM 1339 CB TRP A 88 12.843 -15.919 6.975 1.00 0.00 C ATOM 1340 CG TRP A 88 12.314 -17.080 6.130 1.00 0.00 C ATOM 1341 CD1 TRP A 88 11.203 -17.116 5.381 1.00 0.00 C ATOM 1342 CD2 TRP A 88 12.923 -18.379 5.976 1.00 0.00 C ATOM 1343 NE1 TRP A 88 11.052 -18.339 4.760 1.00 0.00 N ATOM 1344 CE2 TRP A 88 12.131 -19.131 5.133 1.00 0.00 C ATOM 1345 CE3 TRP A 88 14.104 -18.902 6.532 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 12.433 -20.449 4.769 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 14.392 -20.220 6.159 1.00 0.00 C ATOM 1348 CH2 TRP A 88 13.605 -20.990 5.311 1.00 0.00 C ATOM 0 H TRP A 88 10.513 -15.330 7.623 1.00 0.00 H new ATOM 0 HA TRP A 88 12.409 -16.973 8.741 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.545 -14.979 6.510 1.00 0.00 H new ATOM 0 HB3 TRP A 88 13.933 -15.946 6.970 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.513 -16.292 5.277 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.289 -18.612 4.141 1.00 0.00 H new ATOM 0 HE3 TRP A 88 14.739 -18.332 7.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 11.797 -21.017 4.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 15.289 -20.670 6.558 1.00 0.00 H new ATOM 0 HH2 TRP A 88 13.896 -22.002 5.071 1.00 0.00 H new ATOM 1359 N ALA A 89 13.207 -13.786 9.119 1.00 0.00 N ATOM 1360 CA ALA A 89 13.990 -12.866 9.927 1.00 0.00 C ATOM 1361 C ALA A 89 15.461 -13.284 9.888 1.00 0.00 C ATOM 1362 O ALA A 89 15.949 -13.935 10.810 1.00 0.00 O ATOM 1363 CB ALA A 89 13.430 -12.833 11.350 1.00 0.00 C ATOM 0 H ALA A 89 12.661 -13.345 8.379 1.00 0.00 H new ATOM 0 HA ALA A 89 13.925 -11.854 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.017 -12.143 11.956 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.392 -12.501 11.325 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.481 -13.831 11.784 1.00 0.00 H new ATOM 1369 N LYS A 90 16.126 -12.893 8.811 1.00 0.00 N ATOM 1370 CA LYS A 90 17.532 -13.219 8.640 1.00 0.00 C ATOM 1371 C LYS A 90 17.706 -14.739 8.672 1.00 0.00 C ATOM 1372 O LYS A 90 17.901 -15.323 9.736 1.00 0.00 O ATOM 1373 CB LYS A 90 18.383 -12.481 9.675 1.00 0.00 C ATOM 1374 CG LYS A 90 19.751 -12.113 9.099 1.00 0.00 C ATOM 1375 CD LYS A 90 19.668 -10.836 8.260 1.00 0.00 C ATOM 1376 CE LYS A 90 20.633 -10.895 7.074 1.00 0.00 C ATOM 1377 NZ LYS A 90 21.904 -10.213 7.405 1.00 0.00 N ATOM 0 H LYS A 90 15.717 -12.353 8.048 1.00 0.00 H new ATOM 0 HA LYS A 90 17.887 -12.877 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.866 -11.578 9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.513 -13.107 10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.465 -11.973 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.123 -12.933 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.649 -10.700 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.903 -9.972 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.829 -11.934 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.177 -10.424 6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 22.547 -10.262 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 21.714 -9.217 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 22.346 -10.680 8.223 1.00 0.00 H new ATOM 1391 N PRO A 91 17.626 -15.351 7.460 1.00 0.00 N ATOM 1392 CA PRO A 91 17.773 -16.792 7.339 1.00 0.00 C ATOM 1393 C PRO A 91 19.237 -17.209 7.493 1.00 0.00 C ATOM 1394 O PRO A 91 19.529 -18.280 8.023 1.00 0.00 O ATOM 1395 CB PRO A 91 17.199 -17.132 5.974 1.00 0.00 C ATOM 1396 CG PRO A 91 17.179 -15.829 5.193 1.00 0.00 C ATOM 1397 CD PRO A 91 17.396 -14.692 6.178 1.00 0.00 C ATOM 0 HA PRO A 91 17.248 -17.336 8.124 1.00 0.00 H new ATOM 0 HB2 PRO A 91 17.810 -17.880 5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 91 16.196 -17.548 6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 91 17.959 -15.828 4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 91 16.228 -15.709 4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 91 18.248 -14.076 5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 91 16.528 -14.034 6.221 1.00 0.00 H new ATOM 1405 N LYS A 92 20.119 -16.341 7.021 1.00 0.00 N ATOM 1406 CA LYS A 92 21.546 -16.605 7.099 1.00 0.00 C ATOM 1407 C LYS A 92 22.279 -15.317 7.480 1.00 0.00 C ATOM 1408 O LYS A 92 22.707 -14.562 6.608 1.00 0.00 O ATOM 1409 CB LYS A 92 22.046 -17.236 5.798 1.00 0.00 C ATOM 1410 CG LYS A 92 23.136 -18.273 6.076 1.00 0.00 C ATOM 1411 CD LYS A 92 24.328 -18.082 5.135 1.00 0.00 C ATOM 1412 CE LYS A 92 24.641 -19.373 4.377 1.00 0.00 C ATOM 1413 NZ LYS A 92 26.101 -19.619 4.354 1.00 0.00 N ATOM 0 H LYS A 92 19.873 -15.453 6.583 1.00 0.00 H new ATOM 0 HA LYS A 92 21.756 -17.335 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.214 -17.708 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.437 -16.460 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.468 -18.188 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 92 22.728 -19.276 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 92 24.111 -17.283 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.202 -17.772 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.132 -20.212 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.262 -19.304 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.297 -20.499 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.579 -18.825 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.454 -19.705 5.328 1.00 0.00 H new ATOM 1427 N PRO A 93 22.404 -15.101 8.816 1.00 0.00 N ATOM 1428 CA PRO A 93 23.078 -13.917 9.323 1.00 0.00 C ATOM 1429 C PRO A 93 24.595 -14.041 9.165 1.00 0.00 C ATOM 1430 O PRO A 93 25.267 -14.614 10.022 1.00 0.00 O ATOM 1431 CB PRO A 93 22.639 -13.805 10.774 1.00 0.00 C ATOM 1432 CG PRO A 93 22.110 -15.178 11.157 1.00 0.00 C ATOM 1433 CD PRO A 93 21.910 -15.974 9.877 1.00 0.00 C ATOM 0 HA PRO A 93 22.816 -13.014 8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 93 23.473 -13.516 11.413 1.00 0.00 H new ATOM 0 HB3 PRO A 93 21.868 -13.043 10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 93 22.812 -15.687 11.817 1.00 0.00 H new ATOM 0 HG3 PRO A 93 21.170 -15.087 11.701 1.00 0.00 H new ATOM 0 HD2 PRO A 93 22.461 -16.914 9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 93 20.860 -16.225 9.727 1.00 0.00 H new TER 1441 PRO A 93