USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 59 HIS : no HD1:sc= 0 X(o=-0.58,f=-0.27) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.581 X(o=-0.58,f=-0.18) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.00523) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.00755 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0355 K(o=-0.035,f=-2.1!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0359 (180deg=-0.371) USER MOD Single : A 26 SER OG : rot 38:sc= 0.14 USER MOD Single : A 27 SER OG : rot 20:sc= 0.398 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -106:sc= -2.63! (180deg=-5.13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-0.3) USER MOD Single : A 63 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.14) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.769 -54.043 -7.476 1.00 1.00 N ATOM 2 CA MET A 1 15.265 -53.946 -6.075 1.00 1.00 C ATOM 3 C MET A 1 16.178 -52.731 -5.944 1.00 1.00 C ATOM 4 O MET A 1 17.031 -52.489 -6.798 1.00 1.00 O ATOM 5 CB MET A 1 16.037 -55.219 -5.721 1.00 1.00 C ATOM 6 CG MET A 1 15.100 -56.209 -5.025 1.00 1.00 C ATOM 7 SD MET A 1 15.808 -57.872 -5.111 1.00 1.00 S ATOM 8 CE MET A 1 15.807 -58.211 -3.333 1.00 1.00 C ATOM 0 H1 MET A 1 14.649 -55.043 -7.733 1.00 1.00 H new ATOM 0 H2 MET A 1 13.855 -53.553 -7.555 1.00 1.00 H new ATOM 0 H3 MET A 1 15.456 -53.600 -8.119 1.00 1.00 H new ATOM 0 HA MET A 1 14.422 -53.836 -5.393 1.00 1.00 H new ATOM 0 HB2 MET A 1 16.452 -55.668 -6.623 1.00 1.00 H new ATOM 0 HB3 MET A 1 16.877 -54.978 -5.070 1.00 1.00 H new ATOM 0 HG2 MET A 1 14.954 -55.918 -3.985 1.00 1.00 H new ATOM 0 HG3 MET A 1 14.120 -56.194 -5.501 1.00 1.00 H new ATOM 0 HE1 MET A 1 16.277 -59.177 -3.146 1.00 1.00 H new ATOM 0 HE2 MET A 1 16.363 -57.430 -2.813 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.781 -58.230 -2.967 1.00 1.00 H new ATOM 20 N GLU A 2 15.993 -51.972 -4.869 1.00 1.00 N ATOM 21 CA GLU A 2 16.806 -50.783 -4.637 1.00 1.00 C ATOM 22 C GLU A 2 17.994 -51.113 -3.739 1.00 1.00 C ATOM 23 O GLU A 2 17.943 -50.906 -2.527 1.00 1.00 O ATOM 24 CB GLU A 2 15.958 -49.690 -3.984 1.00 1.00 C ATOM 25 CG GLU A 2 14.812 -49.303 -4.921 1.00 1.00 C ATOM 26 CD GLU A 2 13.634 -48.772 -4.112 1.00 1.00 C ATOM 27 OE1 GLU A 2 12.978 -49.571 -3.463 1.00 1.00 O ATOM 28 OE2 GLU A 2 13.405 -47.575 -4.153 1.00 1.00 O ATOM 0 H GLU A 2 15.293 -52.156 -4.150 1.00 1.00 H new ATOM 0 HA GLU A 2 17.179 -50.428 -5.598 1.00 1.00 H new ATOM 0 HB2 GLU A 2 15.560 -50.044 -3.033 1.00 1.00 H new ATOM 0 HB3 GLU A 2 16.575 -48.818 -3.767 1.00 1.00 H new ATOM 0 HG2 GLU A 2 15.149 -48.545 -5.628 1.00 1.00 H new ATOM 0 HG3 GLU A 2 14.501 -50.169 -5.506 1.00 1.00 H new ATOM 35 N GLU A 3 19.060 -51.628 -4.342 1.00 1.00 N ATOM 36 CA GLU A 3 20.256 -51.984 -3.586 1.00 1.00 C ATOM 37 C GLU A 3 21.512 -51.601 -4.361 1.00 1.00 C ATOM 38 O GLU A 3 22.253 -52.467 -4.829 1.00 1.00 O ATOM 39 CB GLU A 3 20.266 -53.486 -3.302 1.00 1.00 C ATOM 40 CG GLU A 3 19.360 -53.787 -2.107 1.00 1.00 C ATOM 41 CD GLU A 3 19.327 -55.289 -1.842 1.00 1.00 C ATOM 42 OE1 GLU A 3 20.318 -55.806 -1.353 1.00 1.00 O ATOM 43 OE2 GLU A 3 18.311 -55.899 -2.132 1.00 1.00 O ATOM 0 H GLU A 3 19.121 -51.807 -5.344 1.00 1.00 H new ATOM 0 HA GLU A 3 20.244 -51.437 -2.643 1.00 1.00 H new ATOM 0 HB2 GLU A 3 19.923 -54.035 -4.179 1.00 1.00 H new ATOM 0 HB3 GLU A 3 21.282 -53.821 -3.094 1.00 1.00 H new ATOM 0 HG2 GLU A 3 19.723 -53.262 -1.224 1.00 1.00 H new ATOM 0 HG3 GLU A 3 18.352 -53.422 -2.303 1.00 1.00 H new ATOM 50 N GLY A 4 21.749 -50.300 -4.491 1.00 1.00 N ATOM 51 CA GLY A 4 22.919 -49.814 -5.213 1.00 1.00 C ATOM 52 C GLY A 4 22.653 -48.444 -5.825 1.00 1.00 C ATOM 53 O GLY A 4 23.551 -47.605 -5.906 1.00 1.00 O ATOM 0 H GLY A 4 21.151 -49.568 -4.109 1.00 1.00 H new ATOM 0 HA2 GLY A 4 23.770 -49.754 -4.535 1.00 1.00 H new ATOM 0 HA3 GLY A 4 23.186 -50.521 -5.998 1.00 1.00 H new ATOM 57 N GLY A 5 21.415 -48.223 -6.253 1.00 1.00 N ATOM 58 CA GLY A 5 21.042 -46.950 -6.858 1.00 1.00 C ATOM 59 C GLY A 5 21.137 -45.816 -5.842 1.00 1.00 C ATOM 60 O GLY A 5 20.214 -45.593 -5.059 1.00 1.00 O ATOM 0 H GLY A 5 20.658 -48.904 -6.193 1.00 1.00 H new ATOM 0 HA2 GLY A 5 21.695 -46.740 -7.705 1.00 1.00 H new ATOM 0 HA3 GLY A 5 20.025 -47.011 -7.247 1.00 1.00 H new ATOM 64 N ASP A 6 22.259 -45.105 -5.861 1.00 1.00 N ATOM 65 CA ASP A 6 22.464 -43.996 -4.937 1.00 1.00 C ATOM 66 C ASP A 6 23.502 -43.023 -5.488 1.00 1.00 C ATOM 67 O ASP A 6 24.402 -43.415 -6.230 1.00 1.00 O ATOM 68 CB ASP A 6 22.930 -44.526 -3.579 1.00 1.00 C ATOM 69 CG ASP A 6 22.161 -43.835 -2.457 1.00 1.00 C ATOM 70 OD1 ASP A 6 21.951 -42.638 -2.561 1.00 1.00 O ATOM 71 OD2 ASP A 6 21.795 -44.513 -1.512 1.00 1.00 O ATOM 0 H ASP A 6 23.035 -45.275 -6.501 1.00 1.00 H new ATOM 0 HA ASP A 6 21.517 -43.470 -4.816 1.00 1.00 H new ATOM 0 HB2 ASP A 6 22.775 -45.604 -3.527 1.00 1.00 H new ATOM 0 HB3 ASP A 6 23.999 -44.352 -3.459 1.00 1.00 H new ATOM 76 N PHE A 7 23.369 -41.753 -5.120 1.00 1.00 N ATOM 77 CA PHE A 7 24.302 -40.732 -5.585 1.00 1.00 C ATOM 78 C PHE A 7 25.518 -40.662 -4.668 1.00 1.00 C ATOM 79 O PHE A 7 25.517 -41.224 -3.574 1.00 1.00 O ATOM 80 CB PHE A 7 23.609 -39.368 -5.622 1.00 1.00 C ATOM 81 CG PHE A 7 22.137 -39.559 -5.902 1.00 1.00 C ATOM 82 CD1 PHE A 7 21.724 -40.426 -6.921 1.00 1.00 C ATOM 83 CD2 PHE A 7 21.185 -38.869 -5.142 1.00 1.00 C ATOM 84 CE1 PHE A 7 20.360 -40.603 -7.181 1.00 1.00 C ATOM 85 CE2 PHE A 7 19.820 -39.046 -5.402 1.00 1.00 C ATOM 86 CZ PHE A 7 19.408 -39.912 -6.421 1.00 1.00 C ATOM 0 H PHE A 7 22.631 -41.408 -4.506 1.00 1.00 H new ATOM 0 HA PHE A 7 24.632 -40.998 -6.589 1.00 1.00 H new ATOM 0 HB2 PHE A 7 23.745 -38.853 -4.671 1.00 1.00 H new ATOM 0 HB3 PHE A 7 24.058 -38.741 -6.392 1.00 1.00 H new ATOM 0 HD1 PHE A 7 22.458 -40.959 -7.507 1.00 1.00 H new ATOM 0 HD2 PHE A 7 21.503 -38.201 -4.356 1.00 1.00 H new ATOM 0 HE1 PHE A 7 20.042 -41.272 -7.967 1.00 1.00 H new ATOM 0 HE2 PHE A 7 19.085 -38.514 -4.816 1.00 1.00 H new ATOM 0 HZ PHE A 7 18.355 -40.048 -6.621 1.00 1.00 H new ATOM 96 N ASP A 8 26.556 -39.966 -5.123 1.00 1.00 N ATOM 97 CA ASP A 8 27.775 -39.828 -4.335 1.00 1.00 C ATOM 98 C ASP A 8 28.505 -38.539 -4.698 1.00 1.00 C ATOM 99 O ASP A 8 29.726 -38.527 -4.854 1.00 1.00 O ATOM 100 CB ASP A 8 28.696 -41.025 -4.583 1.00 1.00 C ATOM 101 CG ASP A 8 29.832 -41.028 -3.567 1.00 1.00 C ATOM 102 OD1 ASP A 8 29.543 -41.089 -2.384 1.00 1.00 O ATOM 103 OD2 ASP A 8 30.977 -40.970 -3.986 1.00 1.00 O ATOM 0 H ASP A 8 26.577 -39.492 -6.026 1.00 1.00 H new ATOM 0 HA ASP A 8 27.501 -39.793 -3.281 1.00 1.00 H new ATOM 0 HB2 ASP A 8 28.128 -41.953 -4.509 1.00 1.00 H new ATOM 0 HB3 ASP A 8 29.101 -40.979 -5.594 1.00 1.00 H new ATOM 108 N ASN A 9 27.749 -37.454 -4.830 1.00 1.00 N ATOM 109 CA ASN A 9 28.335 -36.164 -5.175 1.00 1.00 C ATOM 110 C ASN A 9 27.539 -35.028 -4.541 1.00 1.00 C ATOM 111 O ASN A 9 27.221 -34.037 -5.199 1.00 1.00 O ATOM 112 CB ASN A 9 28.355 -35.989 -6.694 1.00 1.00 C ATOM 113 CG ASN A 9 29.439 -34.993 -7.089 1.00 1.00 C ATOM 114 OD1 ASN A 9 29.812 -34.130 -6.294 1.00 1.00 O ATOM 115 ND2 ASN A 9 29.973 -35.060 -8.279 1.00 1.00 N ATOM 0 H ASN A 9 26.737 -37.442 -4.704 1.00 1.00 H new ATOM 0 HA ASN A 9 29.355 -36.136 -4.793 1.00 1.00 H new ATOM 0 HB2 ASN A 9 28.538 -36.949 -7.177 1.00 1.00 H new ATOM 0 HB3 ASN A 9 27.383 -35.638 -7.041 1.00 1.00 H new ATOM 0 HD21 ASN A 9 30.699 -34.397 -8.550 1.00 1.00 H new ATOM 0 HD22 ASN A 9 29.664 -35.775 -8.937 1.00 1.00 H new ATOM 122 N TYR A 10 27.222 -35.177 -3.258 1.00 1.00 N ATOM 123 CA TYR A 10 26.462 -34.156 -2.546 1.00 1.00 C ATOM 124 C TYR A 10 27.182 -32.812 -2.608 1.00 1.00 C ATOM 125 O TYR A 10 28.407 -32.748 -2.511 1.00 1.00 O ATOM 126 CB TYR A 10 26.275 -34.569 -1.085 1.00 1.00 C ATOM 127 CG TYR A 10 24.808 -34.518 -0.731 1.00 1.00 C ATOM 128 CD1 TYR A 10 24.176 -33.283 -0.544 1.00 1.00 C ATOM 129 CD2 TYR A 10 24.080 -35.705 -0.592 1.00 1.00 C ATOM 130 CE1 TYR A 10 22.815 -33.235 -0.216 1.00 1.00 C ATOM 131 CE2 TYR A 10 22.719 -35.657 -0.264 1.00 1.00 C ATOM 132 CZ TYR A 10 22.088 -34.422 -0.076 1.00 1.00 C ATOM 133 OH TYR A 10 20.746 -34.376 0.247 1.00 1.00 O ATOM 0 H TYR A 10 27.477 -35.988 -2.694 1.00 1.00 H new ATOM 0 HA TYR A 10 25.487 -34.056 -3.023 1.00 1.00 H new ATOM 0 HB2 TYR A 10 26.663 -35.575 -0.928 1.00 1.00 H new ATOM 0 HB3 TYR A 10 26.841 -33.904 -0.433 1.00 1.00 H new ATOM 0 HD1 TYR A 10 24.738 -32.367 -0.653 1.00 1.00 H new ATOM 0 HD2 TYR A 10 24.567 -36.658 -0.738 1.00 1.00 H new ATOM 0 HE1 TYR A 10 22.327 -32.282 -0.071 1.00 1.00 H new ATOM 0 HE2 TYR A 10 22.157 -36.573 -0.156 1.00 1.00 H new ATOM 0 HH TYR A 10 20.392 -35.288 0.304 1.00 1.00 H new ATOM 143 N TYR A 11 26.412 -31.741 -2.772 1.00 1.00 N ATOM 144 CA TYR A 11 26.987 -30.404 -2.846 1.00 1.00 C ATOM 145 C TYR A 11 27.884 -30.138 -1.642 1.00 1.00 C ATOM 146 O TYR A 11 27.409 -30.050 -0.510 1.00 1.00 O ATOM 147 CB TYR A 11 25.872 -29.357 -2.894 1.00 1.00 C ATOM 148 CG TYR A 11 24.919 -29.687 -4.018 1.00 1.00 C ATOM 149 CD1 TYR A 11 25.183 -29.233 -5.316 1.00 1.00 C ATOM 150 CD2 TYR A 11 23.770 -30.446 -3.763 1.00 1.00 C ATOM 151 CE1 TYR A 11 24.300 -29.539 -6.358 1.00 1.00 C ATOM 152 CE2 TYR A 11 22.887 -30.752 -4.805 1.00 1.00 C ATOM 153 CZ TYR A 11 23.152 -30.298 -6.102 1.00 1.00 C ATOM 154 OH TYR A 11 22.281 -30.599 -7.130 1.00 1.00 O ATOM 0 H TYR A 11 25.396 -31.772 -2.856 1.00 1.00 H new ATOM 0 HA TYR A 11 27.587 -30.338 -3.754 1.00 1.00 H new ATOM 0 HB2 TYR A 11 25.337 -29.336 -1.944 1.00 1.00 H new ATOM 0 HB3 TYR A 11 26.297 -28.364 -3.043 1.00 1.00 H new ATOM 0 HD1 TYR A 11 26.068 -28.647 -5.513 1.00 1.00 H new ATOM 0 HD2 TYR A 11 23.565 -30.795 -2.762 1.00 1.00 H new ATOM 0 HE1 TYR A 11 24.504 -29.190 -7.359 1.00 1.00 H new ATOM 0 HE2 TYR A 11 22.002 -31.338 -4.608 1.00 1.00 H new ATOM 0 HH TYR A 11 21.537 -31.133 -6.782 1.00 1.00 H new ATOM 164 N GLY A 12 29.183 -30.010 -1.895 1.00 1.00 N ATOM 165 CA GLY A 12 30.139 -29.753 -0.824 1.00 1.00 C ATOM 166 C GLY A 12 30.576 -28.293 -0.822 1.00 1.00 C ATOM 167 O GLY A 12 31.565 -27.930 -1.461 1.00 1.00 O ATOM 0 H GLY A 12 29.595 -30.079 -2.825 1.00 1.00 H new ATOM 0 HA2 GLY A 12 29.690 -30.003 0.137 1.00 1.00 H new ATOM 0 HA3 GLY A 12 31.010 -30.397 -0.946 1.00 1.00 H new ATOM 171 N ALA A 13 29.833 -27.459 -0.102 1.00 1.00 N ATOM 172 CA ALA A 13 30.154 -26.038 -0.025 1.00 1.00 C ATOM 173 C ALA A 13 30.001 -25.530 1.405 1.00 1.00 C ATOM 174 O ALA A 13 29.400 -24.483 1.641 1.00 1.00 O ATOM 175 CB ALA A 13 29.231 -25.243 -0.952 1.00 1.00 C ATOM 0 H ALA A 13 29.011 -27.739 0.433 1.00 1.00 H new ATOM 0 HA ALA A 13 31.189 -25.902 -0.338 1.00 1.00 H new ATOM 0 HB1 ALA A 13 29.477 -24.183 -0.889 1.00 1.00 H new ATOM 0 HB2 ALA A 13 29.363 -25.586 -1.978 1.00 1.00 H new ATOM 0 HB3 ALA A 13 28.195 -25.394 -0.650 1.00 1.00 H new ATOM 181 N ASP A 14 30.548 -26.281 2.356 1.00 1.00 N ATOM 182 CA ASP A 14 30.467 -25.898 3.760 1.00 1.00 C ATOM 183 C ASP A 14 31.757 -25.218 4.206 1.00 1.00 C ATOM 184 O ASP A 14 32.324 -25.561 5.244 1.00 1.00 O ATOM 185 CB ASP A 14 30.213 -27.134 4.625 1.00 1.00 C ATOM 186 CG ASP A 14 31.468 -27.997 4.680 1.00 1.00 C ATOM 187 OD1 ASP A 14 31.709 -28.719 3.727 1.00 1.00 O ATOM 188 OD2 ASP A 14 32.170 -27.924 5.675 1.00 1.00 O ATOM 0 H ASP A 14 31.049 -27.152 2.181 1.00 1.00 H new ATOM 0 HA ASP A 14 29.641 -25.196 3.878 1.00 1.00 H new ATOM 0 HB2 ASP A 14 29.925 -26.831 5.632 1.00 1.00 H new ATOM 0 HB3 ASP A 14 29.383 -27.710 4.216 1.00 1.00 H new ATOM 193 N ASN A 15 32.217 -24.254 3.414 1.00 1.00 N ATOM 194 CA ASN A 15 33.442 -23.531 3.733 1.00 1.00 C ATOM 195 C ASN A 15 33.245 -22.035 3.524 1.00 1.00 C ATOM 196 O ASN A 15 32.915 -21.311 4.463 1.00 1.00 O ATOM 197 CB ASN A 15 34.582 -24.026 2.844 1.00 1.00 C ATOM 198 CG ASN A 15 35.203 -25.283 3.444 1.00 1.00 C ATOM 199 OD1 ASN A 15 35.841 -25.220 4.496 1.00 1.00 O ATOM 200 ND2 ASN A 15 35.050 -26.429 2.839 1.00 1.00 N ATOM 0 H ASN A 15 31.762 -23.957 2.551 1.00 1.00 H new ATOM 0 HA ASN A 15 33.691 -23.712 4.779 1.00 1.00 H new ATOM 0 HB2 ASN A 15 34.207 -24.238 1.843 1.00 1.00 H new ATOM 0 HB3 ASN A 15 35.339 -23.249 2.743 1.00 1.00 H new ATOM 0 HD21 ASN A 15 35.459 -27.274 3.237 1.00 1.00 H new ATOM 0 HD22 ASN A 15 34.521 -26.479 1.968 1.00 1.00 H new ATOM 207 N GLN A 16 33.440 -21.595 2.278 1.00 1.00 N ATOM 208 CA GLN A 16 33.281 -20.188 1.909 1.00 1.00 C ATOM 209 C GLN A 16 33.549 -19.259 3.090 1.00 1.00 C ATOM 210 O GLN A 16 32.767 -18.349 3.368 1.00 1.00 O ATOM 211 CB GLN A 16 31.868 -19.955 1.377 1.00 1.00 C ATOM 212 CG GLN A 16 30.854 -20.665 2.275 1.00 1.00 C ATOM 213 CD GLN A 16 29.437 -20.359 1.807 1.00 1.00 C ATOM 214 OE1 GLN A 16 28.889 -19.303 2.123 1.00 1.00 O ATOM 215 NE2 GLN A 16 28.804 -21.230 1.069 1.00 1.00 N ATOM 0 H GLN A 16 33.711 -22.200 1.503 1.00 1.00 H new ATOM 0 HA GLN A 16 34.013 -19.959 1.135 1.00 1.00 H new ATOM 0 HB2 GLN A 16 31.653 -18.887 1.344 1.00 1.00 H new ATOM 0 HB3 GLN A 16 31.788 -20.328 0.356 1.00 1.00 H new ATOM 0 HG2 GLN A 16 31.028 -21.741 2.254 1.00 1.00 H new ATOM 0 HG3 GLN A 16 30.982 -20.342 3.308 1.00 1.00 H new ATOM 0 HE21 GLN A 16 29.260 -22.104 0.808 1.00 1.00 H new ATOM 0 HE22 GLN A 16 27.854 -21.036 0.753 1.00 1.00 H new ATOM 224 N SER A 17 34.658 -19.496 3.780 1.00 1.00 N ATOM 225 CA SER A 17 35.022 -18.675 4.930 1.00 1.00 C ATOM 226 C SER A 17 36.012 -17.590 4.523 1.00 1.00 C ATOM 227 O SER A 17 37.142 -17.883 4.131 1.00 1.00 O ATOM 228 CB SER A 17 35.640 -19.550 6.020 1.00 1.00 C ATOM 229 OG SER A 17 34.684 -19.763 7.050 1.00 1.00 O ATOM 0 H SER A 17 35.317 -20.244 3.566 1.00 1.00 H new ATOM 0 HA SER A 17 34.119 -18.200 5.314 1.00 1.00 H new ATOM 0 HB2 SER A 17 35.957 -20.504 5.600 1.00 1.00 H new ATOM 0 HB3 SER A 17 36.529 -19.069 6.427 1.00 1.00 H new ATOM 0 HG SER A 17 35.077 -20.325 7.750 1.00 1.00 H new ATOM 235 N GLU A 18 35.581 -16.337 4.619 1.00 1.00 N ATOM 236 CA GLU A 18 36.439 -15.214 4.258 1.00 1.00 C ATOM 237 C GLU A 18 37.004 -14.547 5.508 1.00 1.00 C ATOM 238 O GLU A 18 36.265 -13.958 6.298 1.00 1.00 O ATOM 239 CB GLU A 18 35.645 -14.188 3.446 1.00 1.00 C ATOM 240 CG GLU A 18 35.472 -14.694 2.013 1.00 1.00 C ATOM 241 CD GLU A 18 34.714 -13.663 1.184 1.00 1.00 C ATOM 242 OE1 GLU A 18 35.105 -12.507 1.209 1.00 1.00 O ATOM 243 OE2 GLU A 18 33.753 -14.043 0.535 1.00 1.00 O ATOM 0 H GLU A 18 34.650 -16.074 4.941 1.00 1.00 H new ATOM 0 HA GLU A 18 37.265 -15.593 3.656 1.00 1.00 H new ATOM 0 HB2 GLU A 18 34.670 -14.022 3.904 1.00 1.00 H new ATOM 0 HB3 GLU A 18 36.164 -13.230 3.444 1.00 1.00 H new ATOM 0 HG2 GLU A 18 36.447 -14.886 1.566 1.00 1.00 H new ATOM 0 HG3 GLU A 18 34.931 -15.640 2.015 1.00 1.00 H new ATOM 250 N CYS A 19 38.318 -14.644 5.683 1.00 1.00 N ATOM 251 CA CYS A 19 38.971 -14.046 6.841 1.00 1.00 C ATOM 252 C CYS A 19 39.276 -12.574 6.585 1.00 1.00 C ATOM 253 O CYS A 19 40.362 -12.090 6.902 1.00 1.00 O ATOM 254 CB CYS A 19 40.271 -14.792 7.150 1.00 1.00 C ATOM 255 SG CYS A 19 39.938 -16.567 7.257 1.00 1.00 S ATOM 0 H CYS A 19 38.947 -15.128 5.042 1.00 1.00 H new ATOM 0 HA CYS A 19 38.296 -14.122 7.694 1.00 1.00 H new ATOM 0 HB2 CYS A 19 41.009 -14.596 6.372 1.00 1.00 H new ATOM 0 HB3 CYS A 19 40.694 -14.433 8.088 1.00 1.00 H new ATOM 0 HG CYS A 19 41.043 -17.201 7.517 1.00 1.00 H new ATOM 261 N GLU A 20 38.309 -11.867 6.008 1.00 1.00 N ATOM 262 CA GLU A 20 38.485 -10.450 5.712 1.00 1.00 C ATOM 263 C GLU A 20 37.140 -9.730 5.722 1.00 1.00 C ATOM 264 O GLU A 20 37.042 -8.586 6.163 1.00 1.00 O ATOM 265 CB GLU A 20 39.148 -10.280 4.344 1.00 1.00 C ATOM 266 CG GLU A 20 39.075 -8.811 3.921 1.00 1.00 C ATOM 267 CD GLU A 20 40.209 -8.490 2.953 1.00 1.00 C ATOM 268 OE1 GLU A 20 40.152 -8.962 1.829 1.00 1.00 O ATOM 269 OE2 GLU A 20 41.116 -7.778 3.349 1.00 1.00 O ATOM 0 H GLU A 20 37.402 -12.249 5.738 1.00 1.00 H new ATOM 0 HA GLU A 20 39.123 -10.014 6.480 1.00 1.00 H new ATOM 0 HB2 GLU A 20 40.187 -10.605 4.389 1.00 1.00 H new ATOM 0 HB3 GLU A 20 38.649 -10.907 3.606 1.00 1.00 H new ATOM 0 HG2 GLU A 20 38.114 -8.607 3.449 1.00 1.00 H new ATOM 0 HG3 GLU A 20 39.142 -8.168 4.798 1.00 1.00 H new ATOM 276 N TYR A 21 36.108 -10.409 5.233 1.00 1.00 N ATOM 277 CA TYR A 21 34.773 -9.824 5.191 1.00 1.00 C ATOM 278 C TYR A 21 34.205 -9.680 6.599 1.00 1.00 C ATOM 279 O TYR A 21 33.025 -9.377 6.775 1.00 1.00 O ATOM 280 CB TYR A 21 33.844 -10.701 4.351 1.00 1.00 C ATOM 281 CG TYR A 21 32.746 -9.850 3.757 1.00 1.00 C ATOM 282 CD1 TYR A 21 33.022 -9.004 2.677 1.00 1.00 C ATOM 283 CD2 TYR A 21 31.452 -9.907 4.289 1.00 1.00 C ATOM 284 CE1 TYR A 21 32.005 -8.215 2.128 1.00 1.00 C ATOM 285 CE2 TYR A 21 30.434 -9.118 3.741 1.00 1.00 C ATOM 286 CZ TYR A 21 30.711 -8.272 2.660 1.00 1.00 C ATOM 287 OH TYR A 21 29.707 -7.494 2.119 1.00 1.00 O ATOM 0 H TYR A 21 36.169 -11.358 4.863 1.00 1.00 H new ATOM 0 HA TYR A 21 34.845 -8.835 4.739 1.00 1.00 H new ATOM 0 HB2 TYR A 21 34.408 -11.191 3.557 1.00 1.00 H new ATOM 0 HB3 TYR A 21 33.414 -11.489 4.969 1.00 1.00 H new ATOM 0 HD1 TYR A 21 34.020 -8.960 2.267 1.00 1.00 H new ATOM 0 HD2 TYR A 21 31.239 -10.560 5.123 1.00 1.00 H new ATOM 0 HE1 TYR A 21 32.218 -7.562 1.294 1.00 1.00 H new ATOM 0 HE2 TYR A 21 29.436 -9.162 4.151 1.00 1.00 H new ATOM 0 HH TYR A 21 28.871 -7.655 2.605 1.00 1.00 H new ATOM 297 N THR A 22 35.053 -9.901 7.599 1.00 1.00 N ATOM 298 CA THR A 22 34.623 -9.794 8.988 1.00 1.00 C ATOM 299 C THR A 22 35.724 -9.172 9.842 1.00 1.00 C ATOM 300 O THR A 22 35.721 -9.303 11.067 1.00 1.00 O ATOM 301 CB THR A 22 34.272 -11.180 9.535 1.00 1.00 C ATOM 302 OG1 THR A 22 33.940 -12.042 8.456 1.00 1.00 O ATOM 303 CG2 THR A 22 33.081 -11.068 10.486 1.00 1.00 C ATOM 0 H THR A 22 36.034 -10.153 7.475 1.00 1.00 H new ATOM 0 HA THR A 22 33.741 -9.154 9.028 1.00 1.00 H new ATOM 0 HB THR A 22 35.127 -11.586 10.075 1.00 1.00 H new ATOM 0 HG1 THR A 22 33.716 -12.930 8.804 1.00 1.00 H new ATOM 0 HG21 THR A 22 32.832 -12.055 10.875 1.00 1.00 H new ATOM 0 HG22 THR A 22 33.337 -10.406 11.313 1.00 1.00 H new ATOM 0 HG23 THR A 22 32.223 -10.663 9.949 1.00 1.00 H new ATOM 311 N ASP A 23 36.662 -8.496 9.189 1.00 1.00 N ATOM 312 CA ASP A 23 37.764 -7.857 9.900 1.00 1.00 C ATOM 313 C ASP A 23 38.049 -6.477 9.318 1.00 1.00 C ATOM 314 O ASP A 23 39.015 -5.817 9.704 1.00 1.00 O ATOM 315 CB ASP A 23 39.021 -8.724 9.802 1.00 1.00 C ATOM 316 CG ASP A 23 40.006 -8.110 8.815 1.00 1.00 C ATOM 317 OD1 ASP A 23 39.652 -7.985 7.654 1.00 1.00 O ATOM 318 OD2 ASP A 23 41.102 -7.775 9.233 1.00 1.00 O ATOM 0 H ASP A 23 36.683 -8.376 8.176 1.00 1.00 H new ATOM 0 HA ASP A 23 37.480 -7.745 10.946 1.00 1.00 H new ATOM 0 HB2 ASP A 23 39.487 -8.815 10.783 1.00 1.00 H new ATOM 0 HB3 ASP A 23 38.753 -9.731 9.482 1.00 1.00 H new ATOM 323 N TRP A 24 37.202 -6.044 8.390 1.00 1.00 N ATOM 324 CA TRP A 24 37.372 -4.738 7.763 1.00 1.00 C ATOM 325 C TRP A 24 37.481 -3.643 8.823 1.00 1.00 C ATOM 326 O TRP A 24 38.537 -3.460 9.429 1.00 1.00 O ATOM 327 CB TRP A 24 36.194 -4.448 6.825 1.00 1.00 C ATOM 328 CG TRP A 24 34.941 -5.061 7.370 1.00 1.00 C ATOM 329 CD1 TRP A 24 34.674 -5.264 8.681 1.00 1.00 C ATOM 330 CD2 TRP A 24 33.780 -5.551 6.636 1.00 1.00 C ATOM 331 NE1 TRP A 24 33.426 -5.848 8.798 1.00 1.00 N ATOM 332 CE2 TRP A 24 32.835 -6.045 7.565 1.00 1.00 C ATOM 333 CE3 TRP A 24 33.461 -5.615 5.268 1.00 1.00 C ATOM 334 CZ2 TRP A 24 31.615 -6.582 7.152 1.00 1.00 C ATOM 335 CZ3 TRP A 24 32.234 -6.155 4.848 1.00 1.00 C ATOM 336 CH2 TRP A 24 31.314 -6.637 5.788 1.00 1.00 C ATOM 0 H TRP A 24 36.396 -6.574 8.057 1.00 1.00 H new ATOM 0 HA TRP A 24 38.294 -4.750 7.182 1.00 1.00 H new ATOM 0 HB2 TRP A 24 36.063 -3.372 6.714 1.00 1.00 H new ATOM 0 HB3 TRP A 24 36.402 -4.848 5.832 1.00 1.00 H new ATOM 0 HD1 TRP A 24 35.329 -5.011 9.502 1.00 1.00 H new ATOM 0 HE1 TRP A 24 32.994 -6.102 9.686 1.00 1.00 H new ATOM 0 HE3 TRP A 24 34.164 -5.247 4.535 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 30.909 -6.952 7.880 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 31.999 -6.199 3.795 1.00 1.00 H new ATOM 0 HH2 TRP A 24 30.372 -7.051 5.459 1.00 1.00 H new ATOM 347 N LYS A 25 36.389 -2.918 9.044 1.00 1.00 N ATOM 348 CA LYS A 25 36.381 -1.848 10.034 1.00 1.00 C ATOM 349 C LYS A 25 36.092 -2.405 11.424 1.00 1.00 C ATOM 350 O LYS A 25 35.133 -2.000 12.079 1.00 1.00 O ATOM 351 CB LYS A 25 35.325 -0.804 9.668 1.00 1.00 C ATOM 352 CG LYS A 25 33.967 -1.488 9.498 1.00 1.00 C ATOM 353 CD LYS A 25 32.926 -0.766 10.354 1.00 1.00 C ATOM 354 CE LYS A 25 31.570 -1.457 10.199 1.00 1.00 C ATOM 355 NZ LYS A 25 31.075 -1.274 8.806 1.00 1.00 N ATOM 0 H LYS A 25 35.504 -3.051 8.554 1.00 1.00 H new ATOM 0 HA LYS A 25 37.365 -1.379 10.042 1.00 1.00 H new ATOM 0 HB2 LYS A 25 35.266 -0.043 10.446 1.00 1.00 H new ATOM 0 HB3 LYS A 25 35.606 -0.295 8.746 1.00 1.00 H new ATOM 0 HG2 LYS A 25 33.667 -1.472 8.450 1.00 1.00 H new ATOM 0 HG3 LYS A 25 34.035 -2.535 9.794 1.00 1.00 H new ATOM 0 HD2 LYS A 25 33.232 -0.773 11.400 1.00 1.00 H new ATOM 0 HD3 LYS A 25 32.851 0.278 10.050 1.00 1.00 H new ATOM 0 HE2 LYS A 25 31.663 -2.519 10.427 1.00 1.00 H new ATOM 0 HE3 LYS A 25 30.855 -1.041 10.908 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 30.053 -1.463 8.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 31.257 -0.297 8.499 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 31.570 -1.934 8.172 1.00 1.00 H new ATOM 369 N SER A 26 36.930 -3.336 11.867 1.00 1.00 N ATOM 370 CA SER A 26 36.758 -3.944 13.181 1.00 1.00 C ATOM 371 C SER A 26 38.093 -4.448 13.719 1.00 1.00 C ATOM 372 O SER A 26 38.717 -3.803 14.561 1.00 1.00 O ATOM 373 CB SER A 26 35.770 -5.108 13.091 1.00 1.00 C ATOM 374 OG SER A 26 34.478 -4.658 13.478 1.00 1.00 O ATOM 0 H SER A 26 37.730 -3.684 11.339 1.00 1.00 H new ATOM 0 HA SER A 26 36.368 -3.187 13.862 1.00 1.00 H new ATOM 0 HB2 SER A 26 35.742 -5.499 12.074 1.00 1.00 H new ATOM 0 HB3 SER A 26 36.092 -5.924 13.737 1.00 1.00 H new ATOM 0 HG SER A 26 34.335 -3.747 13.145 1.00 1.00 H new ATOM 380 N SER A 27 38.526 -5.603 13.224 1.00 1.00 N ATOM 381 CA SER A 27 39.791 -6.184 13.663 1.00 1.00 C ATOM 382 C SER A 27 39.834 -6.283 15.185 1.00 1.00 C ATOM 383 O SER A 27 40.881 -6.078 15.800 1.00 1.00 O ATOM 384 CB SER A 27 40.957 -5.327 13.173 1.00 1.00 C ATOM 385 OG SER A 27 41.017 -5.385 11.753 1.00 1.00 O ATOM 0 H SER A 27 38.025 -6.152 12.525 1.00 1.00 H new ATOM 0 HA SER A 27 39.875 -7.186 13.242 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.829 -4.296 13.501 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.892 -5.685 13.603 1.00 1.00 H new ATOM 0 HG SER A 27 40.151 -5.679 11.401 1.00 1.00 H new ATOM 391 N GLY A 28 38.691 -6.597 15.785 1.00 1.00 N ATOM 392 CA GLY A 28 38.611 -6.719 17.237 1.00 1.00 C ATOM 393 C GLY A 28 38.788 -5.360 17.907 1.00 1.00 C ATOM 394 O GLY A 28 38.945 -5.275 19.125 1.00 1.00 O ATOM 0 H GLY A 28 37.814 -6.770 15.294 1.00 1.00 H new ATOM 0 HA2 GLY A 28 37.648 -7.145 17.518 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.379 -7.407 17.591 1.00 1.00 H new ATOM 398 N ALA A 29 38.761 -4.303 17.103 1.00 1.00 N ATOM 399 CA ALA A 29 38.919 -2.952 17.629 1.00 1.00 C ATOM 400 C ALA A 29 40.182 -2.851 18.479 1.00 1.00 C ATOM 401 O ALA A 29 40.164 -3.154 19.672 1.00 1.00 O ATOM 402 CB ALA A 29 37.703 -2.574 18.475 1.00 1.00 C ATOM 0 H ALA A 29 38.632 -4.354 16.092 1.00 1.00 H new ATOM 0 HA ALA A 29 39.004 -2.264 16.788 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.830 -1.564 18.864 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.804 -2.616 17.860 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.606 -3.273 19.306 1.00 1.00 H new ATOM 408 N LEU A 30 41.275 -2.425 17.857 1.00 1.00 N ATOM 409 CA LEU A 30 42.542 -2.288 18.565 1.00 1.00 C ATOM 410 C LEU A 30 42.509 -1.075 19.489 1.00 1.00 C ATOM 411 O LEU A 30 42.293 -1.205 20.694 1.00 1.00 O ATOM 412 CB LEU A 30 43.686 -2.138 17.562 1.00 1.00 C ATOM 413 CG LEU A 30 43.715 -3.354 16.635 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.172 -2.962 15.260 1.00 1.00 C ATOM 415 CD2 LEU A 30 45.156 -3.851 16.490 1.00 1.00 C ATOM 0 H LEU A 30 41.310 -2.170 16.870 1.00 1.00 H new ATOM 0 HA LEU A 30 42.702 -3.184 19.165 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.555 -1.226 16.979 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.636 -2.046 18.089 1.00 1.00 H new ATOM 0 HG LEU A 30 43.097 -4.146 17.057 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.193 -3.829 14.600 1.00 1.00 H new ATOM 0 HD12 LEU A 30 42.146 -2.608 15.361 1.00 1.00 H new ATOM 0 HD13 LEU A 30 43.789 -2.169 14.837 1.00 1.00 H new ATOM 0 HD21 LEU A 30 45.177 -4.718 15.829 1.00 1.00 H new ATOM 0 HD22 LEU A 30 45.774 -3.058 16.068 1.00 1.00 H new ATOM 0 HD23 LEU A 30 45.544 -4.131 17.469 1.00 1.00 H new ATOM 427 N ILE A 31 42.725 0.105 18.916 1.00 1.00 N ATOM 428 CA ILE A 31 42.717 1.335 19.697 1.00 1.00 C ATOM 429 C ILE A 31 41.289 1.846 19.934 1.00 1.00 C ATOM 430 O ILE A 31 41.009 2.424 20.983 1.00 1.00 O ATOM 431 CB ILE A 31 43.553 2.413 18.991 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.028 2.246 19.383 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.066 3.809 19.396 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.327 3.028 20.666 1.00 1.00 C ATOM 0 H ILE A 31 42.906 0.234 17.921 1.00 1.00 H new ATOM 0 HA ILE A 31 43.157 1.115 20.670 1.00 1.00 H new ATOM 0 HB ILE A 31 43.444 2.303 17.912 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.255 1.190 19.531 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.669 2.600 18.575 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.666 4.565 18.889 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.020 3.926 19.112 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.165 3.930 20.475 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.376 2.901 20.933 1.00 1.00 H new ATOM 0 HD12 ILE A 31 45.119 4.086 20.504 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.699 2.654 21.475 1.00 1.00 H new ATOM 446 N PRO A 32 40.380 1.655 19.000 1.00 1.00 N ATOM 447 CA PRO A 32 38.971 2.127 19.161 1.00 1.00 C ATOM 448 C PRO A 32 38.306 1.533 20.399 1.00 1.00 C ATOM 449 O PRO A 32 37.408 2.139 20.984 1.00 1.00 O ATOM 450 CB PRO A 32 38.265 1.653 17.885 1.00 1.00 C ATOM 451 CG PRO A 32 39.351 1.390 16.897 1.00 1.00 C ATOM 452 CD PRO A 32 40.578 0.982 17.706 1.00 1.00 C ATOM 0 HA PRO A 32 38.922 3.207 19.298 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.680 0.753 18.073 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.574 2.411 17.515 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.063 0.600 16.204 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.557 2.279 16.300 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.640 -0.100 17.822 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.501 1.304 17.224 1.00 1.00 H new ATOM 460 N ALA A 33 38.754 0.346 20.794 1.00 1.00 N ATOM 461 CA ALA A 33 38.194 -0.321 21.965 1.00 1.00 C ATOM 462 C ALA A 33 38.548 0.444 23.236 1.00 1.00 C ATOM 463 O ALA A 33 37.849 0.346 24.246 1.00 1.00 O ATOM 464 CB ALA A 33 38.733 -1.749 22.060 1.00 1.00 C ATOM 0 H ALA A 33 39.498 -0.171 20.325 1.00 1.00 H new ATOM 0 HA ALA A 33 37.109 -0.349 21.861 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.310 -2.240 22.937 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.454 -2.303 21.164 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.819 -1.723 22.147 1.00 1.00 H new ATOM 470 N ILE A 34 39.636 1.205 23.181 1.00 1.00 N ATOM 471 CA ILE A 34 40.071 1.982 24.335 1.00 1.00 C ATOM 472 C ILE A 34 39.392 3.348 24.348 1.00 1.00 C ATOM 473 O ILE A 34 39.195 3.943 25.407 1.00 1.00 O ATOM 474 CB ILE A 34 41.589 2.166 24.297 1.00 1.00 C ATOM 475 CG1 ILE A 34 42.271 0.805 24.447 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.022 3.080 25.446 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.761 0.940 24.124 1.00 1.00 C ATOM 0 H ILE A 34 40.229 1.300 22.356 1.00 1.00 H new ATOM 0 HA ILE A 34 39.792 1.442 25.240 1.00 1.00 H new ATOM 0 HB ILE A 34 41.876 2.615 23.346 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.141 0.432 25.463 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.808 0.079 23.779 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.104 3.211 25.419 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.536 4.050 25.342 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.735 2.630 26.397 1.00 1.00 H new ATOM 0 HD11 ILE A 34 44.246 -0.030 24.231 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.881 1.294 23.100 1.00 1.00 H new ATOM 0 HD13 ILE A 34 44.219 1.652 24.810 1.00 1.00 H new ATOM 489 N TYR A 35 39.038 3.838 23.165 1.00 1.00 N ATOM 490 CA TYR A 35 38.380 5.135 23.052 1.00 1.00 C ATOM 491 C TYR A 35 37.027 5.113 23.753 1.00 1.00 C ATOM 492 O TYR A 35 36.730 5.977 24.578 1.00 1.00 O ATOM 493 CB TYR A 35 38.188 5.497 21.579 1.00 1.00 C ATOM 494 CG TYR A 35 39.261 6.470 21.155 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.191 7.808 21.562 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.324 6.036 20.354 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.187 8.712 21.169 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.319 6.939 19.962 1.00 1.00 C ATOM 499 CZ TYR A 35 41.250 8.277 20.369 1.00 1.00 C ATOM 500 OH TYR A 35 42.230 9.167 19.981 1.00 1.00 O ATOM 0 H TYR A 35 39.194 3.361 22.277 1.00 1.00 H new ATOM 0 HA TYR A 35 39.011 5.884 23.530 1.00 1.00 H new ATOM 0 HB2 TYR A 35 38.234 4.598 20.964 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.203 5.937 21.427 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.370 8.143 22.178 1.00 1.00 H new ATOM 0 HD2 TYR A 35 40.376 5.004 20.039 1.00 1.00 H new ATOM 0 HE1 TYR A 35 40.134 9.744 21.483 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.140 6.604 19.346 1.00 1.00 H new ATOM 0 HH TYR A 35 42.894 8.702 19.430 1.00 1.00 H new ATOM 510 N MET A 36 36.208 4.121 23.417 1.00 1.00 N ATOM 511 CA MET A 36 34.887 3.996 24.020 1.00 1.00 C ATOM 512 C MET A 36 35.000 3.800 25.528 1.00 1.00 C ATOM 513 O MET A 36 34.253 4.400 26.300 1.00 1.00 O ATOM 514 CB MET A 36 34.142 2.811 23.403 1.00 1.00 C ATOM 515 CG MET A 36 33.964 3.047 21.902 1.00 1.00 C ATOM 516 SD MET A 36 34.040 1.464 21.029 1.00 1.00 S ATOM 517 CE MET A 36 34.288 2.134 19.367 1.00 1.00 C ATOM 0 H MET A 36 36.434 3.397 22.735 1.00 1.00 H new ATOM 0 HA MET A 36 34.333 4.914 23.827 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.698 1.889 23.574 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.170 2.690 23.881 1.00 1.00 H new ATOM 0 HG2 MET A 36 33.008 3.534 21.711 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.742 3.715 21.533 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.364 1.315 18.652 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.444 2.771 19.102 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.206 2.721 19.345 1.00 1.00 H new ATOM 527 N LEU A 37 35.942 2.959 25.941 1.00 1.00 N ATOM 528 CA LEU A 37 36.144 2.692 27.360 1.00 1.00 C ATOM 529 C LEU A 37 36.418 3.990 28.113 1.00 1.00 C ATOM 530 O LEU A 37 36.534 3.994 29.340 1.00 1.00 O ATOM 531 CB LEU A 37 37.324 1.730 27.548 1.00 1.00 C ATOM 532 CG LEU A 37 36.809 0.311 27.817 1.00 1.00 C ATOM 533 CD1 LEU A 37 36.123 0.250 29.186 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.807 -0.084 26.728 1.00 1.00 C ATOM 0 H LEU A 37 36.573 2.454 25.319 1.00 1.00 H new ATOM 0 HA LEU A 37 35.238 2.237 27.759 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.952 1.734 26.657 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.946 2.063 28.379 1.00 1.00 H new ATOM 0 HG LEU A 37 37.652 -0.380 27.809 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.761 -0.762 29.367 1.00 1.00 H new ATOM 0 HD12 LEU A 37 36.836 0.524 29.963 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.283 0.944 29.203 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.441 -1.093 26.919 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.969 0.613 26.734 1.00 1.00 H new ATOM 0 HD23 LEU A 37 36.297 -0.054 25.755 1.00 1.00 H new ATOM 546 N VAL A 38 36.521 5.089 27.371 1.00 1.00 N ATOM 547 CA VAL A 38 36.781 6.391 27.975 1.00 1.00 C ATOM 548 C VAL A 38 35.825 7.440 27.414 1.00 1.00 C ATOM 549 O VAL A 38 35.966 8.631 27.693 1.00 1.00 O ATOM 550 CB VAL A 38 38.224 6.815 27.699 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.480 8.194 28.310 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.181 5.797 28.324 1.00 1.00 C ATOM 0 H VAL A 38 36.429 5.104 26.355 1.00 1.00 H new ATOM 0 HA VAL A 38 36.626 6.310 29.051 1.00 1.00 H new ATOM 0 HB VAL A 38 38.389 6.860 26.622 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.509 8.494 28.112 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.799 8.920 27.867 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.315 8.151 29.387 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.210 6.097 28.128 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.014 5.754 29.400 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.001 4.814 27.889 1.00 1.00 H new ATOM 562 N PHE A 39 34.855 6.986 26.624 1.00 1.00 N ATOM 563 CA PHE A 39 33.877 7.889 26.024 1.00 1.00 C ATOM 564 C PHE A 39 32.491 7.651 26.614 1.00 1.00 C ATOM 565 O PHE A 39 31.520 8.292 26.214 1.00 1.00 O ATOM 566 CB PHE A 39 33.831 7.674 24.510 1.00 1.00 C ATOM 567 CG PHE A 39 33.366 8.944 23.835 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.163 10.093 23.888 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.141 8.972 23.160 1.00 1.00 C ATOM 570 CE1 PHE A 39 33.734 11.271 23.264 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.711 10.150 22.536 1.00 1.00 C ATOM 572 CZ PHE A 39 32.509 11.299 22.588 1.00 1.00 C ATOM 0 H PHE A 39 34.726 6.003 26.385 1.00 1.00 H new ATOM 0 HA PHE A 39 34.178 8.914 26.239 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.818 7.394 24.142 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.156 6.853 24.269 1.00 1.00 H new ATOM 0 HD1 PHE A 39 35.108 10.071 24.410 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.526 8.085 23.120 1.00 1.00 H new ATOM 0 HE1 PHE A 39 34.349 12.158 23.304 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.765 10.172 22.015 1.00 1.00 H new ATOM 0 HZ PHE A 39 32.179 12.208 22.106 1.00 1.00 H new ATOM 582 N LEU A 40 32.407 6.726 27.567 1.00 1.00 N ATOM 583 CA LEU A 40 31.133 6.411 28.207 1.00 1.00 C ATOM 584 C LEU A 40 31.291 6.356 29.723 1.00 1.00 C ATOM 585 O LEU A 40 30.311 6.449 30.462 1.00 1.00 O ATOM 586 CB LEU A 40 30.602 5.069 27.695 1.00 1.00 C ATOM 587 CG LEU A 40 31.627 3.965 27.968 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.177 3.134 29.171 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.735 3.057 26.740 1.00 1.00 C ATOM 0 H LEU A 40 33.200 6.185 27.911 1.00 1.00 H new ATOM 0 HA LEU A 40 30.422 7.198 27.957 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.658 4.830 28.185 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.399 5.132 26.626 1.00 1.00 H new ATOM 0 HG LEU A 40 32.597 4.416 28.179 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.907 2.348 29.364 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.095 3.777 30.047 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.207 2.684 28.960 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.464 2.270 26.932 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.763 2.608 26.533 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.054 3.645 25.880 1.00 1.00 H new ATOM 601 N LEU A 41 32.530 6.204 30.180 1.00 1.00 N ATOM 602 CA LEU A 41 32.802 6.140 31.611 1.00 1.00 C ATOM 603 C LEU A 41 32.259 7.378 32.316 1.00 1.00 C ATOM 604 O LEU A 41 31.444 7.275 33.234 1.00 1.00 O ATOM 605 CB LEU A 41 34.310 6.034 31.849 1.00 1.00 C ATOM 606 CG LEU A 41 34.691 4.568 32.055 1.00 1.00 C ATOM 607 CD1 LEU A 41 34.264 3.751 30.835 1.00 1.00 C ATOM 608 CD2 LEU A 41 36.207 4.458 32.236 1.00 1.00 C ATOM 0 H LEU A 41 33.355 6.123 29.586 1.00 1.00 H new ATOM 0 HA LEU A 41 32.306 5.259 32.018 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.853 6.446 30.999 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.593 6.621 32.723 1.00 1.00 H new ATOM 0 HG LEU A 41 34.188 4.184 32.942 1.00 1.00 H new ATOM 0 HD11 LEU A 41 34.536 2.706 30.983 1.00 1.00 H new ATOM 0 HD12 LEU A 41 33.185 3.830 30.704 1.00 1.00 H new ATOM 0 HD13 LEU A 41 34.766 4.134 29.947 1.00 1.00 H new ATOM 0 HD21 LEU A 41 36.481 3.413 32.383 1.00 1.00 H new ATOM 0 HD22 LEU A 41 36.708 4.843 31.348 1.00 1.00 H new ATOM 0 HD23 LEU A 41 36.513 5.039 33.106 1.00 1.00 H new ATOM 620 N GLY A 42 32.715 8.548 31.882 1.00 1.00 N ATOM 621 CA GLY A 42 32.267 9.801 32.480 1.00 1.00 C ATOM 622 C GLY A 42 32.170 10.902 31.430 1.00 1.00 C ATOM 623 O GLY A 42 32.635 12.021 31.645 1.00 1.00 O ATOM 0 H GLY A 42 33.389 8.655 31.124 1.00 1.00 H new ATOM 0 HA2 GLY A 42 31.295 9.656 32.952 1.00 1.00 H new ATOM 0 HA3 GLY A 42 32.961 10.102 33.265 1.00 1.00 H new ATOM 627 N THR A 43 31.562 10.576 30.293 1.00 1.00 N ATOM 628 CA THR A 43 31.410 11.548 29.215 1.00 1.00 C ATOM 629 C THR A 43 30.213 12.456 29.478 1.00 1.00 C ATOM 630 O THR A 43 30.200 13.616 29.068 1.00 1.00 O ATOM 631 CB THR A 43 31.219 10.822 27.882 1.00 1.00 C ATOM 632 OG1 THR A 43 31.532 11.707 26.814 1.00 1.00 O ATOM 633 CG2 THR A 43 29.767 10.358 27.753 1.00 1.00 C ATOM 0 H THR A 43 31.170 9.655 30.095 1.00 1.00 H new ATOM 0 HA THR A 43 32.312 12.159 29.171 1.00 1.00 H new ATOM 0 HB THR A 43 31.879 9.955 27.843 1.00 1.00 H new ATOM 0 HG1 THR A 43 31.412 11.243 25.959 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.633 9.841 26.803 1.00 1.00 H new ATOM 0 HG22 THR A 43 29.528 9.680 28.572 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.104 11.222 27.792 1.00 1.00 H new ATOM 641 N THR A 44 29.209 11.921 30.165 1.00 1.00 N ATOM 642 CA THR A 44 28.012 12.693 30.477 1.00 1.00 C ATOM 643 C THR A 44 28.165 13.399 31.820 1.00 1.00 C ATOM 644 O THR A 44 28.532 14.573 31.877 1.00 1.00 O ATOM 645 CB THR A 44 26.791 11.771 30.519 1.00 1.00 C ATOM 646 OG1 THR A 44 27.170 10.512 31.058 1.00 1.00 O ATOM 647 CG2 THR A 44 26.245 11.580 29.104 1.00 1.00 C ATOM 0 H THR A 44 29.200 10.963 30.514 1.00 1.00 H new ATOM 0 HA THR A 44 27.873 13.443 29.698 1.00 1.00 H new ATOM 0 HB THR A 44 26.019 12.217 31.146 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.389 9.920 31.088 1.00 1.00 H new ATOM 0 HG21 THR A 44 25.376 10.923 29.135 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.955 12.547 28.692 1.00 1.00 H new ATOM 0 HG23 THR A 44 27.015 11.134 28.474 1.00 1.00 H new ATOM 655 N GLY A 45 27.883 12.677 32.899 1.00 1.00 N ATOM 656 CA GLY A 45 27.992 13.244 34.237 1.00 1.00 C ATOM 657 C GLY A 45 28.167 12.147 35.282 1.00 1.00 C ATOM 658 O GLY A 45 27.945 12.368 36.472 1.00 1.00 O ATOM 0 H GLY A 45 27.579 11.704 32.874 1.00 1.00 H new ATOM 0 HA2 GLY A 45 28.839 13.929 34.278 1.00 1.00 H new ATOM 0 HA3 GLY A 45 27.099 13.827 34.463 1.00 1.00 H new ATOM 662 N ASN A 46 28.566 10.963 34.828 1.00 1.00 N ATOM 663 CA ASN A 46 28.766 9.836 35.733 1.00 1.00 C ATOM 664 C ASN A 46 30.025 10.039 36.569 1.00 1.00 C ATOM 665 O ASN A 46 31.023 9.341 36.385 1.00 1.00 O ATOM 666 CB ASN A 46 28.886 8.539 34.931 1.00 1.00 C ATOM 667 CG ASN A 46 27.499 7.985 34.625 1.00 1.00 C ATOM 668 OD1 ASN A 46 26.861 7.388 35.492 1.00 1.00 O ATOM 669 ND2 ASN A 46 26.990 8.147 33.435 1.00 1.00 N ATOM 0 H ASN A 46 28.756 10.759 33.847 1.00 1.00 H new ATOM 0 HA ASN A 46 27.907 9.772 36.401 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.425 8.725 34.002 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.463 7.806 35.494 1.00 1.00 H new ATOM 0 HD21 ASN A 46 26.063 7.779 33.222 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.519 8.642 32.717 1.00 1.00 H new ATOM 676 N GLY A 47 29.972 10.997 37.488 1.00 1.00 N ATOM 677 CA GLY A 47 31.116 11.281 38.348 1.00 1.00 C ATOM 678 C GLY A 47 30.753 12.309 39.414 1.00 1.00 C ATOM 679 O GLY A 47 30.893 12.052 40.610 1.00 1.00 O ATOM 0 H GLY A 47 29.156 11.586 37.656 1.00 1.00 H new ATOM 0 HA2 GLY A 47 31.455 10.361 38.825 1.00 1.00 H new ATOM 0 HA3 GLY A 47 31.945 11.653 37.746 1.00 1.00 H new ATOM 683 N LEU A 48 30.286 13.472 38.973 1.00 1.00 N ATOM 684 CA LEU A 48 29.906 14.532 39.899 1.00 1.00 C ATOM 685 C LEU A 48 28.421 14.438 40.237 1.00 1.00 C ATOM 686 O LEU A 48 27.988 14.879 41.303 1.00 1.00 O ATOM 687 CB LEU A 48 30.205 15.899 39.280 1.00 1.00 C ATOM 688 CG LEU A 48 31.221 16.645 40.149 1.00 1.00 C ATOM 689 CD1 LEU A 48 31.603 17.962 39.474 1.00 1.00 C ATOM 690 CD2 LEU A 48 30.606 16.937 41.521 1.00 1.00 C ATOM 0 H LEU A 48 30.162 13.704 37.987 1.00 1.00 H new ATOM 0 HA LEU A 48 30.485 14.415 40.815 1.00 1.00 H new ATOM 0 HB2 LEU A 48 30.597 15.775 38.270 1.00 1.00 H new ATOM 0 HB3 LEU A 48 29.287 16.480 39.196 1.00 1.00 H new ATOM 0 HG LEU A 48 32.111 16.028 40.273 1.00 1.00 H new ATOM 0 HD11 LEU A 48 32.326 18.492 40.094 1.00 1.00 H new ATOM 0 HD12 LEU A 48 32.043 17.756 38.498 1.00 1.00 H new ATOM 0 HD13 LEU A 48 30.713 18.578 39.348 1.00 1.00 H new ATOM 0 HD21 LEU A 48 31.330 17.468 42.139 1.00 1.00 H new ATOM 0 HD22 LEU A 48 29.715 17.552 41.397 1.00 1.00 H new ATOM 0 HD23 LEU A 48 30.335 15.999 42.005 1.00 1.00 H new ATOM 702 N VAL A 49 27.646 13.861 39.326 1.00 1.00 N ATOM 703 CA VAL A 49 26.212 13.714 39.539 1.00 1.00 C ATOM 704 C VAL A 49 25.940 12.861 40.773 1.00 1.00 C ATOM 705 O VAL A 49 24.865 12.940 41.369 1.00 1.00 O ATOM 706 CB VAL A 49 25.565 13.065 38.313 1.00 1.00 C ATOM 707 CG1 VAL A 49 24.083 12.812 38.592 1.00 1.00 C ATOM 708 CG2 VAL A 49 25.704 14.000 37.110 1.00 1.00 C ATOM 0 H VAL A 49 27.984 13.490 38.438 1.00 1.00 H new ATOM 0 HA VAL A 49 25.782 14.704 39.693 1.00 1.00 H new ATOM 0 HB VAL A 49 26.061 12.118 38.098 1.00 1.00 H new ATOM 0 HG11 VAL A 49 23.622 12.350 37.719 1.00 1.00 H new ATOM 0 HG12 VAL A 49 23.983 12.147 39.450 1.00 1.00 H new ATOM 0 HG13 VAL A 49 23.586 13.758 38.806 1.00 1.00 H new ATOM 0 HG21 VAL A 49 25.244 13.539 36.236 1.00 1.00 H new ATOM 0 HG22 VAL A 49 25.207 14.946 37.325 1.00 1.00 H new ATOM 0 HG23 VAL A 49 26.760 14.182 36.911 1.00 1.00 H new ATOM 718 N LEU A 50 26.919 12.047 41.151 1.00 1.00 N ATOM 719 CA LEU A 50 26.773 11.185 42.318 1.00 1.00 C ATOM 720 C LEU A 50 27.238 11.909 43.576 1.00 1.00 C ATOM 721 O LEU A 50 26.799 11.595 44.682 1.00 1.00 O ATOM 722 CB LEU A 50 27.591 9.905 42.133 1.00 1.00 C ATOM 723 CG LEU A 50 27.646 9.537 40.649 1.00 1.00 C ATOM 724 CD1 LEU A 50 28.344 8.188 40.483 1.00 1.00 C ATOM 725 CD2 LEU A 50 26.223 9.445 40.093 1.00 1.00 C ATOM 0 H LEU A 50 27.815 11.966 40.671 1.00 1.00 H new ATOM 0 HA LEU A 50 25.719 10.927 42.425 1.00 1.00 H new ATOM 0 HB2 LEU A 50 28.600 10.048 42.520 1.00 1.00 H new ATOM 0 HB3 LEU A 50 27.144 9.091 42.703 1.00 1.00 H new ATOM 0 HG LEU A 50 28.201 10.303 40.106 1.00 1.00 H new ATOM 0 HD11 LEU A 50 28.383 7.926 39.426 1.00 1.00 H new ATOM 0 HD12 LEU A 50 29.358 8.252 40.879 1.00 1.00 H new ATOM 0 HD13 LEU A 50 27.790 7.422 41.026 1.00 1.00 H new ATOM 0 HD21 LEU A 50 26.262 9.183 39.036 1.00 1.00 H new ATOM 0 HD22 LEU A 50 25.669 8.680 40.637 1.00 1.00 H new ATOM 0 HD23 LEU A 50 25.724 10.407 40.210 1.00 1.00 H new ATOM 737 N TRP A 51 28.128 12.880 43.400 1.00 1.00 N ATOM 738 CA TRP A 51 28.643 13.642 44.529 1.00 1.00 C ATOM 739 C TRP A 51 27.524 14.454 45.171 1.00 1.00 C ATOM 740 O TRP A 51 27.684 14.995 46.265 1.00 1.00 O ATOM 741 CB TRP A 51 29.759 14.580 44.061 1.00 1.00 C ATOM 742 CG TRP A 51 29.687 15.867 44.818 1.00 1.00 C ATOM 743 CD1 TRP A 51 28.865 16.899 44.520 1.00 1.00 C ATOM 744 CD2 TRP A 51 30.448 16.275 45.992 1.00 1.00 C ATOM 745 NE1 TRP A 51 29.074 17.915 45.435 1.00 1.00 N ATOM 746 CE2 TRP A 51 30.039 17.578 46.363 1.00 1.00 C ATOM 747 CE3 TRP A 51 31.443 15.648 46.763 1.00 1.00 C ATOM 748 CZ2 TRP A 51 30.598 18.236 47.460 1.00 1.00 C ATOM 749 CZ3 TRP A 51 32.008 16.307 47.868 1.00 1.00 C ATOM 750 CH2 TRP A 51 31.586 17.598 48.215 1.00 1.00 C ATOM 0 H TRP A 51 28.505 13.156 42.493 1.00 1.00 H new ATOM 0 HA TRP A 51 29.044 12.947 45.266 1.00 1.00 H new ATOM 0 HB2 TRP A 51 30.730 14.110 44.215 1.00 1.00 H new ATOM 0 HB3 TRP A 51 29.663 14.770 42.992 1.00 1.00 H new ATOM 0 HD1 TRP A 51 28.161 16.925 43.702 1.00 1.00 H new ATOM 0 HE1 TRP A 51 28.576 18.805 45.425 1.00 1.00 H new ATOM 0 HE3 TRP A 51 31.775 14.653 46.504 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 30.269 19.231 47.723 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 32.772 15.816 48.453 1.00 1.00 H new ATOM 0 HH2 TRP A 51 32.024 18.099 49.065 1.00 1.00 H new ATOM 761 N THR A 52 26.390 14.533 44.482 1.00 1.00 N ATOM 762 CA THR A 52 25.245 15.280 44.991 1.00 1.00 C ATOM 763 C THR A 52 24.361 14.380 45.846 1.00 1.00 C ATOM 764 O THR A 52 24.047 14.706 46.992 1.00 1.00 O ATOM 765 CB THR A 52 24.429 15.843 43.824 1.00 1.00 C ATOM 766 OG1 THR A 52 25.005 17.070 43.397 1.00 1.00 O ATOM 767 CG2 THR A 52 22.986 16.084 44.270 1.00 1.00 C ATOM 0 H THR A 52 26.239 14.092 43.575 1.00 1.00 H new ATOM 0 HA THR A 52 25.612 16.102 45.606 1.00 1.00 H new ATOM 0 HB THR A 52 24.435 15.129 43.001 1.00 1.00 H new ATOM 0 HG1 THR A 52 24.486 17.432 42.649 1.00 1.00 H new ATOM 0 HG21 THR A 52 22.410 16.485 43.436 1.00 1.00 H new ATOM 0 HG22 THR A 52 22.544 15.143 44.597 1.00 1.00 H new ATOM 0 HG23 THR A 52 22.974 16.797 45.095 1.00 1.00 H new ATOM 775 N VAL A 53 23.958 13.248 45.281 1.00 1.00 N ATOM 776 CA VAL A 53 23.106 12.308 45.997 1.00 1.00 C ATOM 777 C VAL A 53 23.602 12.116 47.427 1.00 1.00 C ATOM 778 O VAL A 53 22.896 12.419 48.387 1.00 1.00 O ATOM 779 CB VAL A 53 23.095 10.960 45.274 1.00 1.00 C ATOM 780 CG1 VAL A 53 22.340 9.932 46.119 1.00 1.00 C ATOM 781 CG2 VAL A 53 22.399 11.115 43.920 1.00 1.00 C ATOM 0 H VAL A 53 24.206 12.960 44.334 1.00 1.00 H new ATOM 0 HA VAL A 53 22.095 12.713 46.027 1.00 1.00 H new ATOM 0 HB VAL A 53 24.120 10.622 45.121 1.00 1.00 H new ATOM 0 HG11 VAL A 53 22.333 8.972 45.603 1.00 1.00 H new ATOM 0 HG12 VAL A 53 22.834 9.821 47.084 1.00 1.00 H new ATOM 0 HG13 VAL A 53 21.315 10.269 46.272 1.00 1.00 H new ATOM 0 HG21 VAL A 53 22.390 10.155 43.403 1.00 1.00 H new ATOM 0 HG22 VAL A 53 21.374 11.453 44.074 1.00 1.00 H new ATOM 0 HG23 VAL A 53 22.936 11.847 43.317 1.00 1.00 H new ATOM 791 N PHE A 54 24.822 11.608 47.557 1.00 1.00 N ATOM 792 CA PHE A 54 25.408 11.373 48.872 1.00 1.00 C ATOM 793 C PHE A 54 25.558 12.677 49.652 1.00 1.00 C ATOM 794 O PHE A 54 26.099 12.684 50.759 1.00 1.00 O ATOM 795 CB PHE A 54 26.778 10.713 48.708 1.00 1.00 C ATOM 796 CG PHE A 54 27.860 11.696 49.085 1.00 1.00 C ATOM 797 CD1 PHE A 54 28.164 12.764 48.232 1.00 1.00 C ATOM 798 CD2 PHE A 54 28.562 11.539 50.286 1.00 1.00 C ATOM 799 CE1 PHE A 54 29.169 13.675 48.580 1.00 1.00 C ATOM 800 CE2 PHE A 54 29.567 12.450 50.634 1.00 1.00 C ATOM 801 CZ PHE A 54 29.870 13.518 49.781 1.00 1.00 C ATOM 0 H PHE A 54 25.422 11.352 46.773 1.00 1.00 H new ATOM 0 HA PHE A 54 24.742 10.717 49.432 1.00 1.00 H new ATOM 0 HB2 PHE A 54 26.843 9.825 49.337 1.00 1.00 H new ATOM 0 HB3 PHE A 54 26.914 10.384 47.678 1.00 1.00 H new ATOM 0 HD1 PHE A 54 27.623 12.885 47.305 1.00 1.00 H new ATOM 0 HD2 PHE A 54 28.328 10.715 50.944 1.00 1.00 H new ATOM 0 HE1 PHE A 54 29.403 14.499 47.922 1.00 1.00 H new ATOM 0 HE2 PHE A 54 30.108 12.329 51.561 1.00 1.00 H new ATOM 0 HZ PHE A 54 30.645 14.221 50.050 1.00 1.00 H new ATOM 811 N ARG A 55 25.079 13.775 49.072 1.00 1.00 N ATOM 812 CA ARG A 55 25.169 15.079 49.724 1.00 1.00 C ATOM 813 C ARG A 55 23.787 15.588 50.118 1.00 1.00 C ATOM 814 O ARG A 55 23.520 15.841 51.294 1.00 1.00 O ATOM 815 CB ARG A 55 25.835 16.085 48.782 1.00 1.00 C ATOM 816 CG ARG A 55 27.138 16.594 49.404 1.00 1.00 C ATOM 817 CD ARG A 55 26.823 17.414 50.656 1.00 1.00 C ATOM 818 NE ARG A 55 27.508 16.852 51.814 1.00 1.00 N ATOM 819 CZ ARG A 55 28.788 17.117 52.051 1.00 1.00 C ATOM 820 NH1 ARG A 55 29.456 17.889 51.238 1.00 1.00 N ATOM 821 NH2 ARG A 55 29.377 16.605 53.098 1.00 1.00 N ATOM 0 H ARG A 55 24.627 13.788 48.158 1.00 1.00 H new ATOM 0 HA ARG A 55 25.769 14.968 50.628 1.00 1.00 H new ATOM 0 HB2 ARG A 55 26.040 15.616 47.820 1.00 1.00 H new ATOM 0 HB3 ARG A 55 25.161 16.921 48.592 1.00 1.00 H new ATOM 0 HG2 ARG A 55 27.783 15.754 49.660 1.00 1.00 H new ATOM 0 HG3 ARG A 55 27.682 17.205 48.684 1.00 1.00 H new ATOM 0 HD2 ARG A 55 27.132 18.449 50.509 1.00 1.00 H new ATOM 0 HD3 ARG A 55 25.747 17.425 50.831 1.00 1.00 H new ATOM 0 HE ARG A 55 26.995 16.245 52.453 1.00 1.00 H new ATOM 0 HH11 ARG A 55 28.995 18.289 50.421 1.00 1.00 H new ATOM 0 HH12 ARG A 55 30.439 18.092 51.420 1.00 1.00 H new ATOM 0 HH21 ARG A 55 28.854 16.002 53.733 1.00 1.00 H new ATOM 0 HH22 ARG A 55 30.360 16.808 53.281 1.00 1.00 H new ATOM 835 N LYS A 56 22.912 15.745 49.132 1.00 1.00 N ATOM 836 CA LYS A 56 21.564 16.235 49.393 1.00 1.00 C ATOM 837 C LYS A 56 20.970 15.559 50.626 1.00 1.00 C ATOM 838 O LYS A 56 20.336 16.213 51.453 1.00 1.00 O ATOM 839 CB LYS A 56 20.670 15.986 48.175 1.00 1.00 C ATOM 840 CG LYS A 56 20.218 14.524 48.150 1.00 1.00 C ATOM 841 CD LYS A 56 19.676 14.184 46.759 1.00 1.00 C ATOM 842 CE LYS A 56 18.467 15.068 46.451 1.00 1.00 C ATOM 843 NZ LYS A 56 18.935 16.407 45.989 1.00 1.00 N ATOM 0 H LYS A 56 23.109 15.542 48.152 1.00 1.00 H new ATOM 0 HA LYS A 56 21.619 17.307 49.583 1.00 1.00 H new ATOM 0 HB2 LYS A 56 19.801 16.644 48.210 1.00 1.00 H new ATOM 0 HB3 LYS A 56 21.213 16.224 47.260 1.00 1.00 H new ATOM 0 HG2 LYS A 56 21.054 13.869 48.397 1.00 1.00 H new ATOM 0 HG3 LYS A 56 19.448 14.357 48.903 1.00 1.00 H new ATOM 0 HD2 LYS A 56 20.451 14.336 46.008 1.00 1.00 H new ATOM 0 HD3 LYS A 56 19.391 13.133 46.715 1.00 1.00 H new ATOM 0 HE2 LYS A 56 17.849 14.602 45.684 1.00 1.00 H new ATOM 0 HE3 LYS A 56 17.845 15.175 47.340 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 18.786 17.106 46.744 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 19.948 16.360 45.756 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 18.399 16.690 45.144 1.00 1.00 H new ATOM 857 N LYS A 57 21.184 14.253 50.749 1.00 1.00 N ATOM 858 CA LYS A 57 20.664 13.517 51.896 1.00 1.00 C ATOM 859 C LYS A 57 21.683 13.514 53.029 1.00 1.00 C ATOM 860 O LYS A 57 21.866 12.506 53.712 1.00 1.00 O ATOM 861 CB LYS A 57 20.326 12.078 51.504 1.00 1.00 C ATOM 862 CG LYS A 57 21.540 11.412 50.854 1.00 1.00 C ATOM 863 CD LYS A 57 21.125 10.818 49.507 1.00 1.00 C ATOM 864 CE LYS A 57 20.038 9.763 49.725 1.00 1.00 C ATOM 865 NZ LYS A 57 20.403 8.516 48.996 1.00 1.00 N ATOM 0 H LYS A 57 21.706 13.689 50.079 1.00 1.00 H new ATOM 0 HA LYS A 57 19.754 14.013 52.234 1.00 1.00 H new ATOM 0 HB2 LYS A 57 20.021 11.515 52.386 1.00 1.00 H new ATOM 0 HB3 LYS A 57 19.483 12.069 50.813 1.00 1.00 H new ATOM 0 HG2 LYS A 57 22.338 12.141 50.713 1.00 1.00 H new ATOM 0 HG3 LYS A 57 21.933 10.630 51.504 1.00 1.00 H new ATOM 0 HD2 LYS A 57 20.756 11.605 48.849 1.00 1.00 H new ATOM 0 HD3 LYS A 57 21.988 10.370 49.014 1.00 1.00 H new ATOM 0 HE2 LYS A 57 19.926 9.555 50.789 1.00 1.00 H new ATOM 0 HE3 LYS A 57 19.077 10.136 49.370 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 19.665 7.799 49.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 20.489 8.720 47.980 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 21.311 8.157 49.355 1.00 1.00 H new ATOM 879 N GLY A 58 22.343 14.650 53.219 1.00 1.00 N ATOM 880 CA GLY A 58 23.345 14.776 54.270 1.00 1.00 C ATOM 881 C GLY A 58 22.865 14.121 55.561 1.00 1.00 C ATOM 882 O GLY A 58 23.132 12.945 55.809 1.00 1.00 O ATOM 0 H GLY A 58 22.204 15.493 52.662 1.00 1.00 H new ATOM 0 HA2 GLY A 58 24.277 14.312 53.947 1.00 1.00 H new ATOM 0 HA3 GLY A 58 23.559 15.830 54.450 1.00 1.00 H new ATOM 886 N HIS A 59 22.155 14.892 56.380 1.00 1.00 N ATOM 887 CA HIS A 59 21.640 14.378 57.645 1.00 1.00 C ATOM 888 C HIS A 59 20.147 14.091 57.539 1.00 1.00 C ATOM 889 O HIS A 59 19.727 12.934 57.518 1.00 1.00 O ATOM 890 CB HIS A 59 21.888 15.395 58.762 1.00 1.00 C ATOM 891 CG HIS A 59 23.089 14.977 59.563 1.00 1.00 C ATOM 892 ND1 HIS A 59 23.007 14.670 60.913 1.00 1.00 N ATOM 893 CD2 HIS A 59 24.408 14.809 59.221 1.00 1.00 C ATOM 894 CE1 HIS A 59 24.242 14.336 61.330 1.00 1.00 C ATOM 895 NE2 HIS A 59 25.134 14.404 60.337 1.00 1.00 N ATOM 0 H HIS A 59 21.925 15.868 56.192 1.00 1.00 H new ATOM 0 HA HIS A 59 22.161 13.449 57.877 1.00 1.00 H new ATOM 0 HB2 HIS A 59 22.048 16.386 58.337 1.00 1.00 H new ATOM 0 HB3 HIS A 59 21.012 15.463 59.408 1.00 1.00 H new ATOM 0 HD2 HIS A 59 24.820 14.967 58.235 1.00 1.00 H new ATOM 0 HE1 HIS A 59 24.483 14.048 62.343 1.00 1.00 H new ATOM 0 HE2 HIS A 59 26.133 14.202 60.387 1.00 1.00 H new ATOM 903 N HIS A 60 19.349 15.151 57.471 1.00 1.00 N ATOM 904 CA HIS A 60 17.902 15.001 57.367 1.00 1.00 C ATOM 905 C HIS A 60 17.410 13.896 58.297 1.00 1.00 C ATOM 906 O HIS A 60 17.383 12.723 57.923 1.00 1.00 O ATOM 907 CB HIS A 60 17.514 14.667 55.925 1.00 1.00 C ATOM 908 CG HIS A 60 16.061 14.985 55.709 1.00 1.00 C ATOM 909 ND1 HIS A 60 15.098 13.997 55.587 1.00 1.00 N ATOM 910 CD2 HIS A 60 15.391 16.178 55.590 1.00 1.00 C ATOM 911 CE1 HIS A 60 13.912 14.606 55.404 1.00 1.00 C ATOM 912 NE2 HIS A 60 14.034 15.936 55.397 1.00 1.00 N ATOM 0 H HIS A 60 19.676 16.117 57.486 1.00 1.00 H new ATOM 0 HA HIS A 60 17.436 15.942 57.660 1.00 1.00 H new ATOM 0 HB2 HIS A 60 18.129 15.239 55.230 1.00 1.00 H new ATOM 0 HB3 HIS A 60 17.700 13.612 55.722 1.00 1.00 H new ATOM 0 HD2 HIS A 60 15.848 17.155 55.639 1.00 1.00 H new ATOM 0 HE1 HIS A 60 12.976 14.083 55.278 1.00 1.00 H new ATOM 0 HE2 HIS A 60 13.292 16.626 55.276 1.00 1.00 H new ATOM 920 N HIS A 61 17.021 14.279 59.508 1.00 1.00 N ATOM 921 CA HIS A 61 16.532 13.311 60.484 1.00 1.00 C ATOM 922 C HIS A 61 15.245 12.657 59.990 1.00 1.00 C ATOM 923 O HIS A 61 14.917 12.725 58.806 1.00 1.00 O ATOM 924 CB HIS A 61 16.274 14.005 61.823 1.00 1.00 C ATOM 925 CG HIS A 61 17.555 14.605 62.331 1.00 1.00 C ATOM 926 ND1 HIS A 61 17.627 15.278 63.542 1.00 1.00 N ATOM 927 CD2 HIS A 61 18.823 14.645 61.805 1.00 1.00 C ATOM 928 CE1 HIS A 61 18.899 15.689 63.702 1.00 1.00 C ATOM 929 NE2 HIS A 61 19.669 15.329 62.672 1.00 1.00 N ATOM 0 H HIS A 61 17.034 15.245 59.836 1.00 1.00 H new ATOM 0 HA HIS A 61 17.291 12.540 60.616 1.00 1.00 H new ATOM 0 HB2 HIS A 61 15.519 14.782 61.703 1.00 1.00 H new ATOM 0 HB3 HIS A 61 15.883 13.289 62.546 1.00 1.00 H new ATOM 0 HD2 HIS A 61 19.119 14.211 60.861 1.00 1.00 H new ATOM 0 HE1 HIS A 61 19.254 16.242 64.559 1.00 1.00 H new ATOM 0 HE2 HIS A 61 20.664 15.516 62.548 1.00 1.00 H new ATOM 937 N HIS A 62 14.520 12.024 60.907 1.00 1.00 N ATOM 938 CA HIS A 62 13.272 11.362 60.554 1.00 1.00 C ATOM 939 C HIS A 62 12.447 11.070 61.805 1.00 1.00 C ATOM 940 O HIS A 62 12.994 10.756 62.861 1.00 1.00 O ATOM 941 CB HIS A 62 13.566 10.055 59.818 1.00 1.00 C ATOM 942 CG HIS A 62 12.441 9.084 60.049 1.00 1.00 C ATOM 943 ND1 HIS A 62 11.375 8.964 59.171 1.00 1.00 N ATOM 944 CD2 HIS A 62 12.202 8.179 61.053 1.00 1.00 C ATOM 945 CE1 HIS A 62 10.550 8.020 59.659 1.00 1.00 C ATOM 946 NE2 HIS A 62 11.007 7.508 60.806 1.00 1.00 N ATOM 0 H HIS A 62 14.774 11.956 61.893 1.00 1.00 H new ATOM 0 HA HIS A 62 12.702 12.025 59.904 1.00 1.00 H new ATOM 0 HB2 HIS A 62 13.683 10.245 58.751 1.00 1.00 H new ATOM 0 HB3 HIS A 62 14.505 9.630 60.171 1.00 1.00 H new ATOM 0 HD2 HIS A 62 12.844 8.013 61.906 1.00 1.00 H new ATOM 0 HE1 HIS A 62 9.631 7.713 59.182 1.00 1.00 H new ATOM 0 HE2 HIS A 62 10.574 6.782 61.377 1.00 1.00 H new ATOM 954 N HIS A 63 11.128 11.177 61.676 1.00 1.00 N ATOM 955 CA HIS A 63 10.239 10.922 62.801 1.00 1.00 C ATOM 956 C HIS A 63 8.806 10.725 62.316 1.00 1.00 C ATOM 957 O HIS A 63 8.357 11.394 61.384 1.00 1.00 O ATOM 958 CB HIS A 63 10.292 12.094 63.782 1.00 1.00 C ATOM 959 CG HIS A 63 11.052 11.684 65.013 1.00 1.00 C ATOM 960 ND1 HIS A 63 10.565 10.736 65.901 1.00 1.00 N ATOM 961 CD2 HIS A 63 12.264 12.082 65.518 1.00 1.00 C ATOM 962 CE1 HIS A 63 11.473 10.598 66.884 1.00 1.00 C ATOM 963 NE2 HIS A 63 12.528 11.396 66.699 1.00 1.00 N ATOM 0 H HIS A 63 10.655 11.437 60.810 1.00 1.00 H new ATOM 0 HA HIS A 63 10.568 10.013 63.304 1.00 1.00 H new ATOM 0 HB2 HIS A 63 10.773 12.953 63.314 1.00 1.00 H new ATOM 0 HB3 HIS A 63 9.282 12.403 64.051 1.00 1.00 H new ATOM 0 HD2 HIS A 63 12.915 12.817 65.067 1.00 1.00 H new ATOM 0 HE1 HIS A 63 11.362 9.924 67.721 1.00 1.00 H new ATOM 0 HE2 HIS A 63 13.351 11.484 67.296 1.00 1.00 H new ATOM 971 N HIS A 64 8.092 9.803 62.954 1.00 1.00 N ATOM 972 CA HIS A 64 6.710 9.527 62.579 1.00 1.00 C ATOM 973 C HIS A 64 5.873 10.800 62.640 1.00 1.00 C ATOM 974 O HIS A 64 6.334 11.760 63.236 1.00 1.00 O ATOM 975 CB HIS A 64 6.114 8.477 63.519 1.00 1.00 C ATOM 976 CG HIS A 64 5.099 7.655 62.774 1.00 1.00 C ATOM 977 ND1 HIS A 64 5.464 6.656 61.885 1.00 1.00 N ATOM 978 CD2 HIS A 64 3.726 7.673 62.774 1.00 1.00 C ATOM 979 CE1 HIS A 64 4.335 6.118 61.392 1.00 1.00 C ATOM 980 NE2 HIS A 64 3.245 6.702 61.901 1.00 1.00 N ATOM 981 OXT HIS A 64 4.785 10.798 62.090 1.00 1.00 O ATOM 0 H HIS A 64 8.444 9.238 63.727 1.00 1.00 H new ATOM 0 HA HIS A 64 6.700 9.148 61.557 1.00 1.00 H new ATOM 0 HB2 HIS A 64 6.903 7.834 63.910 1.00 1.00 H new ATOM 0 HB3 HIS A 64 5.646 8.963 64.375 1.00 1.00 H new ATOM 0 HD2 HIS A 64 3.113 8.339 63.362 1.00 1.00 H new ATOM 0 HE1 HIS A 64 4.311 5.313 60.673 1.00 1.00 H new ATOM 0 HE2 HIS A 64 2.271 6.483 61.694 1.00 1.00 H new TER 989 HIS A 64