USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 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 44 THR OG1 : rot 66:sc= 1.14 USER MOD Set 1.2: A 46 ASN : amide:sc= 0.00762 X(o=1.1,f=0.87) USER MOD Set 2.1: A 10 TYR OH : rot -26:sc= 1.91 USER MOD Set 2.2: A 11 TYR OH : rot -16:sc= 1.45 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0591 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.496 F(o=-2.2!,f=-0.5) USER MOD Single : A 15 ASN : amide:sc= -0.662 K(o=-0.66,f=-4.3!) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.11! C(o=-5.6!,f=-1.1!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.139 USER MOD Single : A 19 CYS SG : rot 180:sc=-0.00255 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -26:sc= 0.351 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -4.84! (180deg=-6.25!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0979 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= -0.316 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= -0.0638 (180deg=-0.361) USER MOD Single : A 59 HIS : no HE2:sc= -10.1! C(o=-10!,f=-9.7!) USER MOD Single : A 60 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.022) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.02 F(o=-2.3!,f=-1) USER MOD Single : A 62 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.24) USER MOD Single : A 63 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.019) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.609 -46.151 6.771 1.00 1.00 N ATOM 2 CA MET A 1 88.168 -45.364 5.586 1.00 1.00 C ATOM 3 C MET A 1 89.204 -45.499 4.475 1.00 1.00 C ATOM 4 O MET A 1 90.283 -46.054 4.683 1.00 1.00 O ATOM 5 CB MET A 1 88.016 -43.894 5.980 1.00 1.00 C ATOM 6 CG MET A 1 86.539 -43.498 5.917 1.00 1.00 C ATOM 7 SD MET A 1 86.358 -41.762 6.394 1.00 1.00 S ATOM 8 CE MET A 1 85.215 -41.282 5.076 1.00 1.00 C ATOM 0 H1 MET A 1 88.382 -45.627 7.640 1.00 1.00 H new ATOM 0 H2 MET A 1 88.118 -47.068 6.781 1.00 1.00 H new ATOM 0 H3 MET A 1 89.636 -46.309 6.720 1.00 1.00 H new ATOM 0 HA MET A 1 87.209 -45.741 5.230 1.00 1.00 H new ATOM 0 HB2 MET A 1 88.404 -43.734 6.986 1.00 1.00 H new ATOM 0 HB3 MET A 1 88.601 -43.265 5.309 1.00 1.00 H new ATOM 0 HG2 MET A 1 86.153 -43.651 4.909 1.00 1.00 H new ATOM 0 HG3 MET A 1 85.953 -44.132 6.582 1.00 1.00 H new ATOM 0 HE1 MET A 1 84.964 -40.226 5.179 1.00 1.00 H new ATOM 0 HE2 MET A 1 85.685 -41.450 4.107 1.00 1.00 H new ATOM 0 HE3 MET A 1 84.306 -41.880 5.147 1.00 1.00 H new ATOM 20 N GLU A 2 88.868 -44.991 3.294 1.00 1.00 N ATOM 21 CA GLU A 2 89.777 -45.060 2.155 1.00 1.00 C ATOM 22 C GLU A 2 90.753 -43.889 2.177 1.00 1.00 C ATOM 23 O GLU A 2 91.907 -44.036 2.580 1.00 1.00 O ATOM 24 CB GLU A 2 88.982 -45.041 0.849 1.00 1.00 C ATOM 25 CG GLU A 2 87.593 -44.451 1.104 1.00 1.00 C ATOM 26 CD GLU A 2 86.867 -44.235 -0.218 1.00 1.00 C ATOM 27 OE1 GLU A 2 87.540 -44.133 -1.231 1.00 1.00 O ATOM 28 OE2 GLU A 2 85.649 -44.174 -0.200 1.00 1.00 O ATOM 0 H GLU A 2 87.979 -44.530 3.101 1.00 1.00 H new ATOM 0 HA GLU A 2 90.342 -45.990 2.221 1.00 1.00 H new ATOM 0 HB2 GLU A 2 89.508 -44.449 0.100 1.00 1.00 H new ATOM 0 HB3 GLU A 2 88.892 -46.052 0.451 1.00 1.00 H new ATOM 0 HG2 GLU A 2 87.015 -45.122 1.740 1.00 1.00 H new ATOM 0 HG3 GLU A 2 87.683 -43.505 1.637 1.00 1.00 H new ATOM 35 N GLU A 3 90.282 -42.725 1.740 1.00 1.00 N ATOM 36 CA GLU A 3 91.123 -41.534 1.713 1.00 1.00 C ATOM 37 C GLU A 3 90.269 -40.273 1.822 1.00 1.00 C ATOM 38 O GLU A 3 89.753 -39.775 0.822 1.00 1.00 O ATOM 39 CB GLU A 3 91.932 -41.495 0.415 1.00 1.00 C ATOM 40 CG GLU A 3 93.390 -41.851 0.712 1.00 1.00 C ATOM 41 CD GLU A 3 94.055 -40.721 1.492 1.00 1.00 C ATOM 42 OE1 GLU A 3 93.450 -39.668 1.602 1.00 1.00 O ATOM 43 OE2 GLU A 3 95.159 -40.927 1.968 1.00 1.00 O ATOM 0 H GLU A 3 89.330 -42.582 1.402 1.00 1.00 H new ATOM 0 HA GLU A 3 91.804 -41.573 2.563 1.00 1.00 H new ATOM 0 HB2 GLU A 3 91.515 -42.197 -0.307 1.00 1.00 H new ATOM 0 HB3 GLU A 3 91.873 -40.503 -0.033 1.00 1.00 H new ATOM 0 HG2 GLU A 3 93.437 -42.777 1.286 1.00 1.00 H new ATOM 0 HG3 GLU A 3 93.927 -42.026 -0.220 1.00 1.00 H new ATOM 50 N GLY A 4 90.127 -39.765 3.041 1.00 1.00 N ATOM 51 CA GLY A 4 89.334 -38.562 3.267 1.00 1.00 C ATOM 52 C GLY A 4 90.176 -37.308 3.060 1.00 1.00 C ATOM 53 O GLY A 4 90.735 -37.095 1.984 1.00 1.00 O ATOM 0 H GLY A 4 90.546 -40.163 3.881 1.00 1.00 H new ATOM 0 HA2 GLY A 4 88.483 -38.550 2.586 1.00 1.00 H new ATOM 0 HA3 GLY A 4 88.932 -38.572 4.280 1.00 1.00 H new ATOM 57 N GLY A 5 90.259 -36.479 4.095 1.00 1.00 N ATOM 58 CA GLY A 5 91.036 -35.247 4.014 1.00 1.00 C ATOM 59 C GLY A 5 90.149 -34.068 3.631 1.00 1.00 C ATOM 60 O GLY A 5 90.216 -33.566 2.509 1.00 1.00 O ATOM 0 H GLY A 5 89.802 -36.635 4.993 1.00 1.00 H new ATOM 0 HA2 GLY A 5 91.514 -35.051 4.973 1.00 1.00 H new ATOM 0 HA3 GLY A 5 91.832 -35.362 3.278 1.00 1.00 H new ATOM 64 N ASP A 6 89.317 -33.630 4.571 1.00 1.00 N ATOM 65 CA ASP A 6 88.420 -32.508 4.321 1.00 1.00 C ATOM 66 C ASP A 6 87.393 -32.871 3.254 1.00 1.00 C ATOM 67 O ASP A 6 87.257 -32.174 2.248 1.00 1.00 O ATOM 68 CB ASP A 6 89.223 -31.289 3.866 1.00 1.00 C ATOM 69 CG ASP A 6 88.445 -30.011 4.163 1.00 1.00 C ATOM 70 OD1 ASP A 6 87.389 -29.834 3.578 1.00 1.00 O ATOM 71 OD2 ASP A 6 88.916 -29.228 4.973 1.00 1.00 O ATOM 0 H ASP A 6 89.246 -34.032 5.506 1.00 1.00 H new ATOM 0 HA ASP A 6 87.896 -32.272 5.247 1.00 1.00 H new ATOM 0 HB2 ASP A 6 90.185 -31.266 4.377 1.00 1.00 H new ATOM 0 HB3 ASP A 6 89.431 -31.358 2.798 1.00 1.00 H new ATOM 76 N PHE A 7 86.674 -33.965 3.480 1.00 1.00 N ATOM 77 CA PHE A 7 85.661 -34.411 2.529 1.00 1.00 C ATOM 78 C PHE A 7 84.517 -35.113 3.254 1.00 1.00 C ATOM 79 O PHE A 7 84.018 -36.141 2.798 1.00 1.00 O ATOM 80 CB PHE A 7 86.285 -35.367 1.511 1.00 1.00 C ATOM 81 CG PHE A 7 87.178 -34.591 0.573 1.00 1.00 C ATOM 82 CD1 PHE A 7 86.615 -33.782 -0.421 1.00 1.00 C ATOM 83 CD2 PHE A 7 88.570 -34.680 0.698 1.00 1.00 C ATOM 84 CE1 PHE A 7 87.443 -33.063 -1.292 1.00 1.00 C ATOM 85 CE2 PHE A 7 89.398 -33.962 -0.172 1.00 1.00 C ATOM 86 CZ PHE A 7 88.835 -33.152 -1.167 1.00 1.00 C ATOM 0 H PHE A 7 86.772 -34.555 4.306 1.00 1.00 H new ATOM 0 HA PHE A 7 85.266 -33.537 2.012 1.00 1.00 H new ATOM 0 HB2 PHE A 7 86.861 -36.137 2.025 1.00 1.00 H new ATOM 0 HB3 PHE A 7 85.503 -35.876 0.948 1.00 1.00 H new ATOM 0 HD1 PHE A 7 85.541 -33.712 -0.516 1.00 1.00 H new ATOM 0 HD2 PHE A 7 89.004 -35.303 1.466 1.00 1.00 H new ATOM 0 HE1 PHE A 7 87.008 -32.440 -2.060 1.00 1.00 H new ATOM 0 HE2 PHE A 7 90.471 -34.032 -0.076 1.00 1.00 H new ATOM 0 HZ PHE A 7 89.474 -32.597 -1.837 1.00 1.00 H new ATOM 96 N ASP A 8 84.108 -34.550 4.387 1.00 1.00 N ATOM 97 CA ASP A 8 83.021 -35.132 5.167 1.00 1.00 C ATOM 98 C ASP A 8 82.372 -34.072 6.052 1.00 1.00 C ATOM 99 O ASP A 8 82.368 -34.189 7.278 1.00 1.00 O ATOM 100 CB ASP A 8 83.555 -36.269 6.039 1.00 1.00 C ATOM 101 CG ASP A 8 82.398 -36.982 6.732 1.00 1.00 C ATOM 102 OD1 ASP A 8 81.971 -36.504 7.770 1.00 1.00 O ATOM 103 OD2 ASP A 8 81.958 -37.995 6.215 1.00 1.00 O ATOM 0 H ASP A 8 84.508 -33.699 4.783 1.00 1.00 H new ATOM 0 HA ASP A 8 82.273 -35.524 4.478 1.00 1.00 H new ATOM 0 HB2 ASP A 8 84.114 -36.976 5.427 1.00 1.00 H new ATOM 0 HB3 ASP A 8 84.247 -35.874 6.782 1.00 1.00 H new ATOM 108 N ASN A 9 81.821 -33.039 5.423 1.00 1.00 N ATOM 109 CA ASN A 9 81.171 -31.964 6.164 1.00 1.00 C ATOM 110 C ASN A 9 79.878 -31.543 5.472 1.00 1.00 C ATOM 111 O ASN A 9 78.847 -31.364 6.119 1.00 1.00 O ATOM 112 CB ASN A 9 82.110 -30.761 6.272 1.00 1.00 C ATOM 113 CG ASN A 9 81.490 -29.695 7.168 1.00 1.00 C ATOM 114 OD1 ASN A 9 80.403 -29.084 6.783 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 82.009 -29.411 8.248 1.00 1.00 N flip ATOM 0 H ASN A 9 81.811 -32.924 4.410 1.00 1.00 H new ATOM 0 HA ASN A 9 80.933 -32.329 7.163 1.00 1.00 H new ATOM 0 HB2 ASN A 9 83.072 -31.075 6.678 1.00 1.00 H new ATOM 0 HB3 ASN A 9 82.302 -30.349 5.281 1.00 1.00 H new ATOM 0 HD21 ASN A 9 82.859 -29.890 8.547 1.00 1.00 H new ATOM 0 HD22 ASN A 9 81.589 -28.697 8.843 1.00 1.00 H new ATOM 122 N TYR A 10 79.943 -31.385 4.154 1.00 1.00 N ATOM 123 CA TYR A 10 78.771 -30.984 3.384 1.00 1.00 C ATOM 124 C TYR A 10 78.107 -32.200 2.746 1.00 1.00 C ATOM 125 O TYR A 10 77.282 -32.066 1.842 1.00 1.00 O ATOM 126 CB TYR A 10 79.177 -29.991 2.294 1.00 1.00 C ATOM 127 CG TYR A 10 80.252 -30.604 1.430 1.00 1.00 C ATOM 128 CD1 TYR A 10 79.900 -31.406 0.338 1.00 1.00 C ATOM 129 CD2 TYR A 10 81.602 -30.370 1.719 1.00 1.00 C ATOM 130 CE1 TYR A 10 80.897 -31.974 -0.464 1.00 1.00 C ATOM 131 CE2 TYR A 10 82.599 -30.939 0.918 1.00 1.00 C ATOM 132 CZ TYR A 10 82.246 -31.740 -0.174 1.00 1.00 C ATOM 133 OH TYR A 10 83.229 -32.300 -0.964 1.00 1.00 O ATOM 0 H TYR A 10 80.788 -31.527 3.600 1.00 1.00 H new ATOM 0 HA TYR A 10 78.060 -30.510 4.061 1.00 1.00 H new ATOM 0 HB2 TYR A 10 78.312 -29.729 1.685 1.00 1.00 H new ATOM 0 HB3 TYR A 10 79.541 -29.068 2.745 1.00 1.00 H new ATOM 0 HD1 TYR A 10 78.859 -31.587 0.114 1.00 1.00 H new ATOM 0 HD2 TYR A 10 81.874 -29.750 2.560 1.00 1.00 H new ATOM 0 HE1 TYR A 10 80.625 -32.593 -1.306 1.00 1.00 H new ATOM 0 HE2 TYR A 10 83.640 -30.760 1.143 1.00 1.00 H new ATOM 0 HH TYR A 10 82.885 -33.115 -1.386 1.00 1.00 H new ATOM 143 N TYR A 11 78.472 -33.386 3.223 1.00 1.00 N ATOM 144 CA TYR A 11 77.905 -34.619 2.691 1.00 1.00 C ATOM 145 C TYR A 11 76.635 -34.996 3.449 1.00 1.00 C ATOM 146 O TYR A 11 76.525 -36.098 3.986 1.00 1.00 O ATOM 147 CB TYR A 11 78.924 -35.755 2.804 1.00 1.00 C ATOM 148 CG TYR A 11 80.103 -35.464 1.907 1.00 1.00 C ATOM 149 CD1 TYR A 11 81.037 -34.486 2.271 1.00 1.00 C ATOM 150 CD2 TYR A 11 80.262 -36.171 0.710 1.00 1.00 C ATOM 151 CE1 TYR A 11 82.130 -34.217 1.440 1.00 1.00 C ATOM 152 CE2 TYR A 11 81.355 -35.902 -0.123 1.00 1.00 C ATOM 153 CZ TYR A 11 82.290 -34.925 0.242 1.00 1.00 C ATOM 154 OH TYR A 11 83.367 -34.659 -0.579 1.00 1.00 O ATOM 0 H TYR A 11 79.153 -33.519 3.971 1.00 1.00 H new ATOM 0 HA TYR A 11 77.655 -34.458 1.642 1.00 1.00 H new ATOM 0 HB2 TYR A 11 79.256 -35.859 3.837 1.00 1.00 H new ATOM 0 HB3 TYR A 11 78.463 -36.701 2.521 1.00 1.00 H new ATOM 0 HD1 TYR A 11 80.913 -33.939 3.194 1.00 1.00 H new ATOM 0 HD2 TYR A 11 79.541 -36.925 0.428 1.00 1.00 H new ATOM 0 HE1 TYR A 11 82.850 -33.463 1.722 1.00 1.00 H new ATOM 0 HE2 TYR A 11 81.477 -36.448 -1.047 1.00 1.00 H new ATOM 0 HH TYR A 11 83.769 -33.802 -0.324 1.00 1.00 H new ATOM 164 N GLY A 12 75.679 -34.074 3.485 1.00 1.00 N ATOM 165 CA GLY A 12 74.420 -34.320 4.180 1.00 1.00 C ATOM 166 C GLY A 12 73.427 -33.192 3.925 1.00 1.00 C ATOM 167 O GLY A 12 72.434 -33.374 3.219 1.00 1.00 O ATOM 0 H GLY A 12 75.750 -33.157 3.045 1.00 1.00 H new ATOM 0 HA2 GLY A 12 73.995 -35.266 3.846 1.00 1.00 H new ATOM 0 HA3 GLY A 12 74.603 -34.413 5.250 1.00 1.00 H new ATOM 171 N ALA A 13 73.701 -32.027 4.501 1.00 1.00 N ATOM 172 CA ALA A 13 72.823 -30.875 4.329 1.00 1.00 C ATOM 173 C ALA A 13 73.301 -29.704 5.180 1.00 1.00 C ATOM 174 O ALA A 13 72.701 -29.383 6.206 1.00 1.00 O ATOM 175 CB ALA A 13 71.392 -31.245 4.724 1.00 1.00 C ATOM 0 H ALA A 13 74.518 -31.855 5.087 1.00 1.00 H new ATOM 0 HA ALA A 13 72.845 -30.579 3.280 1.00 1.00 H new ATOM 0 HB1 ALA A 13 70.743 -30.379 4.593 1.00 1.00 H new ATOM 0 HB2 ALA A 13 71.040 -32.061 4.093 1.00 1.00 H new ATOM 0 HB3 ALA A 13 71.372 -31.558 5.768 1.00 1.00 H new ATOM 181 N ASP A 14 74.387 -29.070 4.749 1.00 1.00 N ATOM 182 CA ASP A 14 74.937 -27.935 5.481 1.00 1.00 C ATOM 183 C ASP A 14 74.538 -26.622 4.814 1.00 1.00 C ATOM 184 O ASP A 14 73.738 -25.859 5.355 1.00 1.00 O ATOM 185 CB ASP A 14 76.463 -28.038 5.534 1.00 1.00 C ATOM 186 CG ASP A 14 77.004 -27.181 6.673 1.00 1.00 C ATOM 187 OD1 ASP A 14 76.498 -27.308 7.776 1.00 1.00 O ATOM 188 OD2 ASP A 14 77.917 -26.410 6.426 1.00 1.00 O ATOM 0 H ASP A 14 74.900 -29.320 3.904 1.00 1.00 H new ATOM 0 HA ASP A 14 74.535 -27.952 6.494 1.00 1.00 H new ATOM 0 HB2 ASP A 14 76.761 -29.077 5.676 1.00 1.00 H new ATOM 0 HB3 ASP A 14 76.891 -27.711 4.587 1.00 1.00 H new ATOM 193 N ASN A 15 75.098 -26.367 3.636 1.00 1.00 N ATOM 194 CA ASN A 15 74.793 -25.144 2.905 1.00 1.00 C ATOM 195 C ASN A 15 75.250 -25.258 1.454 1.00 1.00 C ATOM 196 O ASN A 15 75.942 -24.379 0.939 1.00 1.00 O ATOM 197 CB ASN A 15 75.485 -23.951 3.567 1.00 1.00 C ATOM 198 CG ASN A 15 74.986 -22.650 2.952 1.00 1.00 C ATOM 199 OD1 ASN A 15 74.205 -22.671 2.000 1.00 1.00 O ATOM 200 ND2 ASN A 15 75.391 -21.509 3.440 1.00 1.00 N ATOM 0 H ASN A 15 75.761 -26.987 3.170 1.00 1.00 H new ATOM 0 HA ASN A 15 73.714 -24.993 2.924 1.00 1.00 H new ATOM 0 HB2 ASN A 15 75.288 -23.955 4.639 1.00 1.00 H new ATOM 0 HB3 ASN A 15 76.565 -24.031 3.441 1.00 1.00 H new ATOM 0 HD21 ASN A 15 75.061 -20.634 3.033 1.00 1.00 H new ATOM 0 HD22 ASN A 15 76.038 -21.492 4.228 1.00 1.00 H new ATOM 207 N GLN A 16 74.860 -26.347 0.800 1.00 1.00 N ATOM 208 CA GLN A 16 75.236 -26.566 -0.592 1.00 1.00 C ATOM 209 C GLN A 16 74.509 -25.585 -1.505 1.00 1.00 C ATOM 210 O GLN A 16 74.898 -25.387 -2.656 1.00 1.00 O ATOM 211 CB GLN A 16 74.895 -27.999 -1.006 1.00 1.00 C ATOM 212 CG GLN A 16 73.487 -28.349 -0.521 1.00 1.00 C ATOM 213 CD GLN A 16 73.563 -29.072 0.820 1.00 1.00 C ATOM 214 OE1 GLN A 16 73.246 -28.434 1.913 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 73.919 -30.249 0.872 1.00 1.00 N flip ATOM 0 H GLN A 16 74.288 -27.087 1.208 1.00 1.00 H new ATOM 0 HA GLN A 16 76.310 -26.406 -0.687 1.00 1.00 H new ATOM 0 HB2 GLN A 16 74.953 -28.099 -2.090 1.00 1.00 H new ATOM 0 HB3 GLN A 16 75.620 -28.694 -0.582 1.00 1.00 H new ATOM 0 HG2 GLN A 16 72.892 -27.441 -0.421 1.00 1.00 H new ATOM 0 HG3 GLN A 16 72.986 -28.980 -1.256 1.00 1.00 H new ATOM 0 HE21 GLN A 16 74.166 -30.745 0.016 1.00 1.00 H new ATOM 0 HE22 GLN A 16 73.967 -30.728 1.771 1.00 1.00 H new ATOM 224 N SER A 17 73.451 -24.971 -0.983 1.00 1.00 N ATOM 225 CA SER A 17 72.677 -24.011 -1.761 1.00 1.00 C ATOM 226 C SER A 17 71.441 -23.565 -0.984 1.00 1.00 C ATOM 227 O SER A 17 70.320 -23.958 -1.306 1.00 1.00 O ATOM 228 CB SER A 17 72.248 -24.639 -3.088 1.00 1.00 C ATOM 229 OG SER A 17 72.002 -26.025 -2.893 1.00 1.00 O ATOM 0 H SER A 17 73.113 -25.120 -0.032 1.00 1.00 H new ATOM 0 HA SER A 17 73.304 -23.141 -1.957 1.00 1.00 H new ATOM 0 HB2 SER A 17 71.350 -24.148 -3.463 1.00 1.00 H new ATOM 0 HB3 SER A 17 73.026 -24.498 -3.839 1.00 1.00 H new ATOM 0 HG SER A 17 71.725 -26.431 -3.741 1.00 1.00 H new ATOM 235 N GLU A 18 71.656 -22.744 0.038 1.00 1.00 N ATOM 236 CA GLU A 18 70.551 -22.252 0.854 1.00 1.00 C ATOM 237 C GLU A 18 69.964 -20.981 0.248 1.00 1.00 C ATOM 238 O GLU A 18 70.693 -20.047 -0.087 1.00 1.00 O ATOM 239 CB GLU A 18 71.039 -21.964 2.275 1.00 1.00 C ATOM 240 CG GLU A 18 69.840 -21.897 3.222 1.00 1.00 C ATOM 241 CD GLU A 18 70.240 -21.201 4.520 1.00 1.00 C ATOM 242 OE1 GLU A 18 71.025 -21.773 5.258 1.00 1.00 O ATOM 243 OE2 GLU A 18 69.754 -20.107 4.756 1.00 1.00 O ATOM 0 H GLU A 18 72.577 -22.407 0.320 1.00 1.00 H new ATOM 0 HA GLU A 18 69.776 -23.018 0.885 1.00 1.00 H new ATOM 0 HB2 GLU A 18 71.729 -22.743 2.599 1.00 1.00 H new ATOM 0 HB3 GLU A 18 71.588 -21.023 2.299 1.00 1.00 H new ATOM 0 HG2 GLU A 18 69.021 -21.357 2.747 1.00 1.00 H new ATOM 0 HG3 GLU A 18 69.478 -22.903 3.435 1.00 1.00 H new ATOM 250 N CYS A 19 68.643 -20.952 0.113 1.00 1.00 N ATOM 251 CA CYS A 19 67.967 -19.790 -0.453 1.00 1.00 C ATOM 252 C CYS A 19 68.358 -19.604 -1.916 1.00 1.00 C ATOM 253 O CYS A 19 67.843 -18.717 -2.598 1.00 1.00 O ATOM 254 CB CYS A 19 68.337 -18.534 0.339 1.00 1.00 C ATOM 255 SG CYS A 19 66.941 -17.381 0.328 1.00 1.00 S ATOM 0 H CYS A 19 68.022 -21.714 0.386 1.00 1.00 H new ATOM 0 HA CYS A 19 66.891 -19.953 -0.393 1.00 1.00 H new ATOM 0 HB2 CYS A 19 68.595 -18.800 1.364 1.00 1.00 H new ATOM 0 HB3 CYS A 19 69.216 -18.061 -0.098 1.00 1.00 H new ATOM 0 HG CYS A 19 67.254 -16.314 1.002 1.00 1.00 H new ATOM 261 N GLU A 20 69.269 -20.445 -2.392 1.00 1.00 N ATOM 262 CA GLU A 20 69.720 -20.364 -3.776 1.00 1.00 C ATOM 263 C GLU A 20 69.008 -21.405 -4.634 1.00 1.00 C ATOM 264 O GLU A 20 69.477 -21.758 -5.717 1.00 1.00 O ATOM 265 CB GLU A 20 71.232 -20.590 -3.847 1.00 1.00 C ATOM 266 CG GLU A 20 71.959 -19.340 -3.347 1.00 1.00 C ATOM 267 CD GLU A 20 73.464 -19.582 -3.335 1.00 1.00 C ATOM 268 OE1 GLU A 20 73.911 -20.377 -2.523 1.00 1.00 O ATOM 269 OE2 GLU A 20 74.149 -18.970 -4.138 1.00 1.00 O ATOM 0 H GLU A 20 69.707 -21.186 -1.845 1.00 1.00 H new ATOM 0 HA GLU A 20 69.483 -19.371 -4.158 1.00 1.00 H new ATOM 0 HB2 GLU A 20 71.510 -21.452 -3.241 1.00 1.00 H new ATOM 0 HB3 GLU A 20 71.530 -20.811 -4.872 1.00 1.00 H new ATOM 0 HG2 GLU A 20 71.724 -18.491 -3.989 1.00 1.00 H new ATOM 0 HG3 GLU A 20 71.615 -19.086 -2.344 1.00 1.00 H new ATOM 276 N TYR A 21 67.874 -21.894 -4.143 1.00 1.00 N ATOM 277 CA TYR A 21 67.106 -22.894 -4.873 1.00 1.00 C ATOM 278 C TYR A 21 66.167 -22.225 -5.872 1.00 1.00 C ATOM 279 O TYR A 21 65.139 -22.790 -6.247 1.00 1.00 O ATOM 280 CB TYR A 21 66.291 -23.745 -3.896 1.00 1.00 C ATOM 281 CG TYR A 21 66.494 -25.209 -4.212 1.00 1.00 C ATOM 282 CD1 TYR A 21 66.290 -25.676 -5.515 1.00 1.00 C ATOM 283 CD2 TYR A 21 66.883 -26.097 -3.202 1.00 1.00 C ATOM 284 CE1 TYR A 21 66.477 -27.032 -5.809 1.00 1.00 C ATOM 285 CE2 TYR A 21 67.070 -27.453 -3.496 1.00 1.00 C ATOM 286 CZ TYR A 21 66.868 -27.920 -4.800 1.00 1.00 C ATOM 287 OH TYR A 21 67.052 -29.256 -5.090 1.00 1.00 O ATOM 0 H TYR A 21 67.469 -21.616 -3.249 1.00 1.00 H new ATOM 0 HA TYR A 21 67.803 -23.532 -5.417 1.00 1.00 H new ATOM 0 HB2 TYR A 21 66.599 -23.537 -2.871 1.00 1.00 H new ATOM 0 HB3 TYR A 21 65.234 -23.489 -3.969 1.00 1.00 H new ATOM 0 HD1 TYR A 21 65.988 -24.991 -6.294 1.00 1.00 H new ATOM 0 HD2 TYR A 21 67.039 -25.736 -2.196 1.00 1.00 H new ATOM 0 HE1 TYR A 21 66.320 -27.393 -6.815 1.00 1.00 H new ATOM 0 HE2 TYR A 21 67.370 -28.138 -2.717 1.00 1.00 H new ATOM 0 HH TYR A 21 67.323 -29.733 -4.278 1.00 1.00 H new ATOM 297 N THR A 22 66.527 -21.019 -6.300 1.00 1.00 N ATOM 298 CA THR A 22 65.708 -20.283 -7.255 1.00 1.00 C ATOM 299 C THR A 22 64.305 -20.061 -6.701 1.00 1.00 C ATOM 300 O THR A 22 63.314 -20.208 -7.415 1.00 1.00 O ATOM 301 CB THR A 22 65.624 -21.053 -8.574 1.00 1.00 C ATOM 302 OG1 THR A 22 64.640 -22.073 -8.462 1.00 1.00 O ATOM 303 CG2 THR A 22 66.981 -21.684 -8.889 1.00 1.00 C ATOM 0 H THR A 22 67.374 -20.534 -6.003 1.00 1.00 H new ATOM 0 HA THR A 22 66.173 -19.313 -7.431 1.00 1.00 H new ATOM 0 HB THR A 22 65.351 -20.368 -9.377 1.00 1.00 H new ATOM 0 HG1 THR A 22 64.538 -22.327 -7.521 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.918 -22.232 -9.829 1.00 1.00 H new ATOM 0 HG22 THR A 22 67.735 -20.902 -8.975 1.00 1.00 H new ATOM 0 HG23 THR A 22 67.259 -22.369 -8.088 1.00 1.00 H new ATOM 311 N ASP A 23 64.230 -19.706 -5.422 1.00 1.00 N ATOM 312 CA ASP A 23 62.941 -19.467 -4.781 1.00 1.00 C ATOM 313 C ASP A 23 63.010 -18.234 -3.885 1.00 1.00 C ATOM 314 O ASP A 23 62.053 -17.913 -3.181 1.00 1.00 O ATOM 315 CB ASP A 23 62.538 -20.685 -3.948 1.00 1.00 C ATOM 316 CG ASP A 23 62.115 -21.826 -4.865 1.00 1.00 C ATOM 317 OD1 ASP A 23 60.999 -21.784 -5.356 1.00 1.00 O ATOM 318 OD2 ASP A 23 62.913 -22.728 -5.062 1.00 1.00 O ATOM 0 H ASP A 23 65.039 -19.578 -4.813 1.00 1.00 H new ATOM 0 HA ASP A 23 62.195 -19.297 -5.558 1.00 1.00 H new ATOM 0 HB2 ASP A 23 63.373 -21.001 -3.322 1.00 1.00 H new ATOM 0 HB3 ASP A 23 61.719 -20.423 -3.278 1.00 1.00 H new ATOM 323 N TRP A 24 64.148 -17.548 -3.917 1.00 1.00 N ATOM 324 CA TRP A 24 64.331 -16.353 -3.103 1.00 1.00 C ATOM 325 C TRP A 24 63.560 -15.178 -3.697 1.00 1.00 C ATOM 326 O TRP A 24 63.185 -14.245 -2.985 1.00 1.00 O ATOM 327 CB TRP A 24 65.817 -16.001 -3.018 1.00 1.00 C ATOM 328 CG TRP A 24 66.362 -15.804 -4.396 1.00 1.00 C ATOM 329 CD1 TRP A 24 66.729 -16.798 -5.236 1.00 1.00 C ATOM 330 CD2 TRP A 24 66.606 -14.555 -5.107 1.00 1.00 C ATOM 331 NE1 TRP A 24 67.184 -16.240 -6.417 1.00 1.00 N ATOM 332 CE2 TRP A 24 67.127 -14.860 -6.387 1.00 1.00 C ATOM 333 CE3 TRP A 24 66.427 -13.201 -4.770 1.00 1.00 C ATOM 334 CZ2 TRP A 24 67.460 -13.858 -7.299 1.00 1.00 C ATOM 335 CZ3 TRP A 24 66.762 -12.190 -5.686 1.00 1.00 C ATOM 336 CH2 TRP A 24 67.277 -12.518 -6.948 1.00 1.00 C ATOM 0 H TRP A 24 64.952 -17.797 -4.494 1.00 1.00 H new ATOM 0 HA TRP A 24 63.949 -16.555 -2.102 1.00 1.00 H new ATOM 0 HB2 TRP A 24 65.954 -15.095 -2.428 1.00 1.00 H new ATOM 0 HB3 TRP A 24 66.362 -16.797 -2.510 1.00 1.00 H new ATOM 0 HD1 TRP A 24 66.676 -17.855 -5.020 1.00 1.00 H new ATOM 0 HE1 TRP A 24 67.521 -16.781 -7.213 1.00 1.00 H new ATOM 0 HE3 TRP A 24 66.030 -12.937 -3.801 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 67.857 -14.116 -8.270 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 66.622 -11.154 -5.416 1.00 1.00 H new ATOM 0 HH2 TRP A 24 67.532 -11.736 -7.648 1.00 1.00 H new ATOM 347 N LYS A 25 63.329 -15.228 -5.005 1.00 1.00 N ATOM 348 CA LYS A 25 62.602 -14.162 -5.684 1.00 1.00 C ATOM 349 C LYS A 25 61.151 -14.568 -5.920 1.00 1.00 C ATOM 350 O LYS A 25 60.392 -13.844 -6.564 1.00 1.00 O ATOM 351 CB LYS A 25 63.270 -13.840 -7.024 1.00 1.00 C ATOM 352 CG LYS A 25 63.845 -15.118 -7.640 1.00 1.00 C ATOM 353 CD LYS A 25 62.737 -16.164 -7.783 1.00 1.00 C ATOM 354 CE LYS A 25 63.192 -17.261 -8.747 1.00 1.00 C ATOM 355 NZ LYS A 25 64.529 -17.769 -8.327 1.00 1.00 N ATOM 0 H LYS A 25 63.632 -15.990 -5.612 1.00 1.00 H new ATOM 0 HA LYS A 25 62.621 -13.276 -5.049 1.00 1.00 H new ATOM 0 HB2 LYS A 25 62.545 -13.393 -7.704 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.064 -13.107 -6.878 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.280 -14.899 -8.615 1.00 1.00 H new ATOM 0 HG3 LYS A 25 64.647 -15.507 -7.013 1.00 1.00 H new ATOM 0 HD2 LYS A 25 62.501 -16.595 -6.810 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.825 -15.695 -8.153 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.468 -18.076 -8.755 1.00 1.00 H new ATOM 0 HE3 LYS A 25 63.243 -16.869 -9.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.683 -18.715 -8.730 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 65.269 -17.122 -8.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 64.569 -17.824 -7.289 1.00 1.00 H new ATOM 369 N SER A 26 60.774 -15.729 -5.394 1.00 1.00 N ATOM 370 CA SER A 26 59.410 -16.221 -5.555 1.00 1.00 C ATOM 371 C SER A 26 58.591 -15.950 -4.297 1.00 1.00 C ATOM 372 O SER A 26 57.587 -15.238 -4.340 1.00 1.00 O ATOM 373 CB SER A 26 59.428 -17.722 -5.840 1.00 1.00 C ATOM 374 OG SER A 26 60.138 -17.963 -7.048 1.00 1.00 O ATOM 0 H SER A 26 61.387 -16.342 -4.857 1.00 1.00 H new ATOM 0 HA SER A 26 58.951 -15.697 -6.394 1.00 1.00 H new ATOM 0 HB2 SER A 26 59.900 -18.255 -5.015 1.00 1.00 H new ATOM 0 HB3 SER A 26 58.409 -18.100 -5.922 1.00 1.00 H new ATOM 0 HG SER A 26 60.153 -18.925 -7.232 1.00 1.00 H new ATOM 380 N SER A 27 59.026 -16.521 -3.180 1.00 1.00 N ATOM 381 CA SER A 27 58.324 -16.334 -1.915 1.00 1.00 C ATOM 382 C SER A 27 58.391 -14.875 -1.475 1.00 1.00 C ATOM 383 O SER A 27 57.868 -14.509 -0.423 1.00 1.00 O ATOM 384 CB SER A 27 58.946 -17.221 -0.836 1.00 1.00 C ATOM 385 OG SER A 27 59.443 -16.405 0.215 1.00 1.00 O ATOM 0 H SER A 27 59.855 -17.113 -3.123 1.00 1.00 H new ATOM 0 HA SER A 27 57.280 -16.612 -2.057 1.00 1.00 H new ATOM 0 HB2 SER A 27 58.203 -17.918 -0.450 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.753 -17.818 -1.261 1.00 1.00 H new ATOM 0 HG SER A 27 59.841 -16.971 0.909 1.00 1.00 H new ATOM 391 N GLY A 28 59.037 -14.045 -2.288 1.00 1.00 N ATOM 392 CA GLY A 28 59.165 -12.627 -1.973 1.00 1.00 C ATOM 393 C GLY A 28 58.168 -11.798 -2.773 1.00 1.00 C ATOM 394 O GLY A 28 58.441 -10.651 -3.124 1.00 1.00 O ATOM 0 H GLY A 28 59.477 -14.327 -3.164 1.00 1.00 H new ATOM 0 HA2 GLY A 28 59.000 -12.471 -0.907 1.00 1.00 H new ATOM 0 HA3 GLY A 28 60.179 -12.292 -2.191 1.00 1.00 H new ATOM 398 N ALA A 29 57.011 -12.387 -3.059 1.00 1.00 N ATOM 399 CA ALA A 29 55.979 -11.691 -3.821 1.00 1.00 C ATOM 400 C ALA A 29 54.632 -12.389 -3.660 1.00 1.00 C ATOM 401 O ALA A 29 53.603 -11.879 -4.103 1.00 1.00 O ATOM 402 CB ALA A 29 56.361 -11.649 -5.301 1.00 1.00 C ATOM 0 H ALA A 29 56.765 -13.336 -2.778 1.00 1.00 H new ATOM 0 HA ALA A 29 55.896 -10.673 -3.439 1.00 1.00 H new ATOM 0 HB1 ALA A 29 55.585 -11.128 -5.862 1.00 1.00 H new ATOM 0 HB2 ALA A 29 57.309 -11.123 -5.417 1.00 1.00 H new ATOM 0 HB3 ALA A 29 56.462 -12.666 -5.680 1.00 1.00 H new ATOM 408 N LEU A 30 54.650 -13.559 -3.026 1.00 1.00 N ATOM 409 CA LEU A 30 53.426 -14.325 -2.809 1.00 1.00 C ATOM 410 C LEU A 30 53.065 -14.355 -1.328 1.00 1.00 C ATOM 411 O LEU A 30 51.891 -14.429 -0.967 1.00 1.00 O ATOM 412 CB LEU A 30 53.611 -15.756 -3.318 1.00 1.00 C ATOM 413 CG LEU A 30 54.225 -15.726 -4.718 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.351 -17.154 -5.252 1.00 1.00 C ATOM 415 CD2 LEU A 30 53.326 -14.911 -5.651 1.00 1.00 C ATOM 0 H LEU A 30 55.494 -13.995 -2.655 1.00 1.00 H new ATOM 0 HA LEU A 30 52.617 -13.843 -3.358 1.00 1.00 H new ATOM 0 HB2 LEU A 30 54.256 -16.314 -2.639 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.651 -16.271 -3.342 1.00 1.00 H new ATOM 0 HG LEU A 30 55.213 -15.268 -4.671 1.00 1.00 H new ATOM 0 HD11 LEU A 30 54.789 -17.132 -6.250 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.990 -17.736 -4.588 1.00 1.00 H new ATOM 0 HD13 LEU A 30 53.364 -17.613 -5.299 1.00 1.00 H new ATOM 0 HD21 LEU A 30 53.763 -14.889 -6.649 1.00 1.00 H new ATOM 0 HD22 LEU A 30 52.338 -15.370 -5.697 1.00 1.00 H new ATOM 0 HD23 LEU A 30 53.236 -13.893 -5.272 1.00 1.00 H new ATOM 427 N ILE A 31 54.082 -14.298 -0.472 1.00 1.00 N ATOM 428 CA ILE A 31 53.857 -14.320 0.968 1.00 1.00 C ATOM 429 C ILE A 31 53.383 -12.953 1.476 1.00 1.00 C ATOM 430 O ILE A 31 52.533 -12.886 2.363 1.00 1.00 O ATOM 431 CB ILE A 31 55.142 -14.762 1.692 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.063 -16.264 1.976 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.305 -14.013 3.021 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.816 -17.021 0.669 1.00 1.00 C ATOM 0 H ILE A 31 55.062 -14.237 -0.749 1.00 1.00 H new ATOM 0 HA ILE A 31 53.067 -15.040 1.185 1.00 1.00 H new ATOM 0 HB ILE A 31 55.997 -14.536 1.055 1.00 1.00 H new ATOM 0 HG12 ILE A 31 55.989 -16.606 2.437 1.00 1.00 H new ATOM 0 HG13 ILE A 31 54.260 -16.469 2.684 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.220 -14.342 3.514 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.361 -12.941 2.830 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.450 -14.223 3.664 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.760 -18.090 0.873 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.878 -16.686 0.226 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.634 -16.826 -0.024 1.00 1.00 H new ATOM 446 N PRO A 32 53.903 -11.870 0.945 1.00 1.00 N ATOM 447 CA PRO A 32 53.508 -10.505 1.375 1.00 1.00 C ATOM 448 C PRO A 32 52.303 -9.983 0.596 1.00 1.00 C ATOM 449 O PRO A 32 51.839 -8.867 0.827 1.00 1.00 O ATOM 450 CB PRO A 32 54.754 -9.677 1.075 1.00 1.00 C ATOM 451 CG PRO A 32 55.423 -10.360 -0.079 1.00 1.00 C ATOM 452 CD PRO A 32 54.921 -11.810 -0.115 1.00 1.00 C ATOM 0 HA PRO A 32 53.200 -10.468 2.420 1.00 1.00 H new ATOM 0 HB2 PRO A 32 54.491 -8.650 0.823 1.00 1.00 H new ATOM 0 HB3 PRO A 32 55.414 -9.634 1.941 1.00 1.00 H new ATOM 0 HG2 PRO A 32 55.189 -9.850 -1.014 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.507 -10.333 0.036 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.497 -12.060 -1.088 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.731 -12.516 0.071 1.00 1.00 H new ATOM 460 N ALA A 33 51.803 -10.797 -0.327 1.00 1.00 N ATOM 461 CA ALA A 33 50.654 -10.407 -1.135 1.00 1.00 C ATOM 462 C ALA A 33 49.352 -10.804 -0.446 1.00 1.00 C ATOM 463 O ALA A 33 48.272 -10.679 -1.021 1.00 1.00 O ATOM 464 CB ALA A 33 50.731 -11.074 -2.509 1.00 1.00 C ATOM 0 H ALA A 33 52.172 -11.725 -0.533 1.00 1.00 H new ATOM 0 HA ALA A 33 50.671 -9.324 -1.256 1.00 1.00 H new ATOM 0 HB1 ALA A 33 49.869 -10.777 -3.106 1.00 1.00 H new ATOM 0 HB2 ALA A 33 51.646 -10.764 -3.013 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.733 -12.157 -2.388 1.00 1.00 H new ATOM 470 N ILE A 34 49.464 -11.284 0.788 1.00 1.00 N ATOM 471 CA ILE A 34 48.289 -11.697 1.546 1.00 1.00 C ATOM 472 C ILE A 34 48.421 -11.283 3.007 1.00 1.00 C ATOM 473 O ILE A 34 47.525 -10.652 3.567 1.00 1.00 O ATOM 474 CB ILE A 34 48.116 -13.214 1.457 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.274 -13.811 0.652 1.00 1.00 C ATOM 476 CG2 ILE A 34 46.790 -13.538 0.763 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.136 -15.333 0.610 1.00 1.00 C ATOM 0 H ILE A 34 50.350 -11.396 1.281 1.00 1.00 H new ATOM 0 HA ILE A 34 47.414 -11.207 1.119 1.00 1.00 H new ATOM 0 HB ILE A 34 48.112 -13.640 2.460 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.273 -13.407 -0.360 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.226 -13.534 1.105 1.00 1.00 H new ATOM 0 HG21 ILE A 34 46.667 -14.619 0.700 1.00 1.00 H new ATOM 0 HG22 ILE A 34 45.966 -13.112 1.336 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.792 -13.114 -0.241 1.00 1.00 H new ATOM 0 HD11 ILE A 34 49.960 -15.757 0.037 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.158 -15.729 1.625 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.191 -15.600 0.138 1.00 1.00 H new ATOM 489 N TYR A 35 49.544 -11.645 3.619 1.00 1.00 N ATOM 490 CA TYR A 35 49.782 -11.305 5.017 1.00 1.00 C ATOM 491 C TYR A 35 49.602 -9.807 5.243 1.00 1.00 C ATOM 492 O TYR A 35 49.220 -9.376 6.330 1.00 1.00 O ATOM 493 CB TYR A 35 51.198 -11.720 5.422 1.00 1.00 C ATOM 494 CG TYR A 35 51.127 -12.906 6.354 1.00 1.00 C ATOM 495 CD1 TYR A 35 50.830 -12.715 7.709 1.00 1.00 C ATOM 496 CD2 TYR A 35 51.360 -14.196 5.862 1.00 1.00 C ATOM 497 CE1 TYR A 35 50.765 -13.815 8.572 1.00 1.00 C ATOM 498 CE2 TYR A 35 51.295 -15.296 6.726 1.00 1.00 C ATOM 499 CZ TYR A 35 50.997 -15.105 8.081 1.00 1.00 C ATOM 500 OH TYR A 35 50.933 -16.190 8.932 1.00 1.00 O ATOM 0 H TYR A 35 50.297 -12.169 3.174 1.00 1.00 H new ATOM 0 HA TYR A 35 49.058 -11.842 5.630 1.00 1.00 H new ATOM 0 HB2 TYR A 35 51.781 -11.974 4.537 1.00 1.00 H new ATOM 0 HB3 TYR A 35 51.706 -10.889 5.911 1.00 1.00 H new ATOM 0 HD1 TYR A 35 50.651 -11.720 8.088 1.00 1.00 H new ATOM 0 HD2 TYR A 35 51.590 -14.342 4.817 1.00 1.00 H new ATOM 0 HE1 TYR A 35 50.536 -13.668 9.617 1.00 1.00 H new ATOM 0 HE2 TYR A 35 51.475 -16.291 6.348 1.00 1.00 H new ATOM 0 HH TYR A 35 51.118 -17.011 8.430 1.00 1.00 H new ATOM 510 N MET A 36 49.881 -9.021 4.208 1.00 1.00 N ATOM 511 CA MET A 36 49.746 -7.571 4.308 1.00 1.00 C ATOM 512 C MET A 36 48.290 -7.187 4.555 1.00 1.00 C ATOM 513 O MET A 36 47.965 -6.571 5.571 1.00 1.00 O ATOM 514 CB MET A 36 50.238 -6.911 3.019 1.00 1.00 C ATOM 515 CG MET A 36 51.752 -7.090 2.899 1.00 1.00 C ATOM 516 SD MET A 36 52.583 -6.071 4.142 1.00 1.00 S ATOM 517 CE MET A 36 54.243 -6.758 3.925 1.00 1.00 C ATOM 0 H MET A 36 50.199 -9.358 3.299 1.00 1.00 H new ATOM 0 HA MET A 36 50.350 -7.224 5.146 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.739 -7.355 2.157 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.986 -5.851 3.022 1.00 1.00 H new ATOM 0 HG2 MET A 36 52.017 -8.138 3.037 1.00 1.00 H new ATOM 0 HG3 MET A 36 52.084 -6.806 1.900 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.934 -6.264 4.608 1.00 1.00 H new ATOM 0 HE2 MET A 36 54.225 -7.827 4.138 1.00 1.00 H new ATOM 0 HE3 MET A 36 54.572 -6.598 2.898 1.00 1.00 H new ATOM 527 N LEU A 37 47.418 -7.552 3.621 1.00 1.00 N ATOM 528 CA LEU A 37 46.000 -7.240 3.749 1.00 1.00 C ATOM 529 C LEU A 37 45.499 -7.590 5.147 1.00 1.00 C ATOM 530 O LEU A 37 44.442 -7.124 5.572 1.00 1.00 O ATOM 531 CB LEU A 37 45.196 -8.020 2.706 1.00 1.00 C ATOM 532 CG LEU A 37 44.960 -7.139 1.479 1.00 1.00 C ATOM 533 CD1 LEU A 37 46.303 -6.678 0.913 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.209 -7.942 0.414 1.00 1.00 C ATOM 0 H LEU A 37 47.666 -8.061 2.773 1.00 1.00 H new ATOM 0 HA LEU A 37 45.866 -6.171 3.584 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.733 -8.924 2.419 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.242 -8.336 3.129 1.00 1.00 H new ATOM 0 HG LEU A 37 44.370 -6.269 1.766 1.00 1.00 H new ATOM 0 HD11 LEU A 37 46.133 -6.050 0.038 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.840 -6.107 1.670 1.00 1.00 H new ATOM 0 HD13 LEU A 37 46.895 -7.547 0.626 1.00 1.00 H new ATOM 0 HD21 LEU A 37 44.040 -7.316 -0.462 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.801 -8.812 0.129 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.251 -8.271 0.815 1.00 1.00 H new ATOM 546 N VAL A 38 46.266 -8.413 5.854 1.00 1.00 N ATOM 547 CA VAL A 38 45.891 -8.821 7.203 1.00 1.00 C ATOM 548 C VAL A 38 46.616 -7.969 8.240 1.00 1.00 C ATOM 549 O VAL A 38 45.993 -7.400 9.137 1.00 1.00 O ATOM 550 CB VAL A 38 46.237 -10.295 7.418 1.00 1.00 C ATOM 551 CG1 VAL A 38 45.545 -10.803 8.684 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.758 -11.110 6.215 1.00 1.00 C ATOM 0 H VAL A 38 47.145 -8.808 5.519 1.00 1.00 H new ATOM 0 HA VAL A 38 44.817 -8.680 7.320 1.00 1.00 H new ATOM 0 HB VAL A 38 47.316 -10.403 7.526 1.00 1.00 H new ATOM 0 HG11 VAL A 38 45.792 -11.854 8.837 1.00 1.00 H new ATOM 0 HG12 VAL A 38 45.884 -10.222 9.542 1.00 1.00 H new ATOM 0 HG13 VAL A 38 44.466 -10.696 8.577 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.004 -12.161 6.366 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.679 -11.001 6.108 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.250 -10.749 5.312 1.00 1.00 H new ATOM 562 N PHE A 39 47.937 -7.887 8.112 1.00 1.00 N ATOM 563 CA PHE A 39 48.737 -7.101 9.043 1.00 1.00 C ATOM 564 C PHE A 39 48.053 -5.772 9.345 1.00 1.00 C ATOM 565 O PHE A 39 48.256 -5.186 10.408 1.00 1.00 O ATOM 566 CB PHE A 39 50.122 -6.842 8.450 1.00 1.00 C ATOM 567 CG PHE A 39 51.160 -6.903 9.544 1.00 1.00 C ATOM 568 CD1 PHE A 39 51.640 -8.143 9.984 1.00 1.00 C ATOM 569 CD2 PHE A 39 51.643 -5.722 10.119 1.00 1.00 C ATOM 570 CE1 PHE A 39 52.603 -8.200 10.999 1.00 1.00 C ATOM 571 CE2 PHE A 39 52.605 -5.779 11.134 1.00 1.00 C ATOM 572 CZ PHE A 39 53.085 -7.019 11.574 1.00 1.00 C ATOM 0 H PHE A 39 48.472 -8.352 7.378 1.00 1.00 H new ATOM 0 HA PHE A 39 48.839 -7.663 9.971 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.344 -7.583 7.682 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.145 -5.865 7.967 1.00 1.00 H new ATOM 0 HD1 PHE A 39 51.268 -9.055 9.541 1.00 1.00 H new ATOM 0 HD2 PHE A 39 51.273 -4.766 9.779 1.00 1.00 H new ATOM 0 HE1 PHE A 39 52.974 -9.156 11.338 1.00 1.00 H new ATOM 0 HE2 PHE A 39 52.977 -4.867 11.578 1.00 1.00 H new ATOM 0 HZ PHE A 39 53.827 -7.064 12.357 1.00 1.00 H new ATOM 582 N LEU A 40 47.241 -5.304 8.398 1.00 1.00 N ATOM 583 CA LEU A 40 46.525 -4.042 8.563 1.00 1.00 C ATOM 584 C LEU A 40 45.019 -4.283 8.596 1.00 1.00 C ATOM 585 O LEU A 40 44.311 -3.976 7.637 1.00 1.00 O ATOM 586 CB LEU A 40 46.866 -3.096 7.412 1.00 1.00 C ATOM 587 CG LEU A 40 48.384 -3.029 7.238 1.00 1.00 C ATOM 588 CD1 LEU A 40 48.726 -2.075 6.092 1.00 1.00 C ATOM 589 CD2 LEU A 40 49.022 -2.519 8.533 1.00 1.00 C ATOM 0 H LEU A 40 47.064 -5.778 7.512 1.00 1.00 H new ATOM 0 HA LEU A 40 46.831 -3.591 9.507 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.399 -3.444 6.491 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.468 -2.102 7.615 1.00 1.00 H new ATOM 0 HG LEU A 40 48.768 -4.023 7.009 1.00 1.00 H new ATOM 0 HD11 LEU A 40 49.808 -2.028 5.969 1.00 1.00 H new ATOM 0 HD12 LEU A 40 48.271 -2.436 5.170 1.00 1.00 H new ATOM 0 HD13 LEU A 40 48.343 -1.080 6.320 1.00 1.00 H new ATOM 0 HD21 LEU A 40 50.104 -2.471 8.411 1.00 1.00 H new ATOM 0 HD22 LEU A 40 48.638 -1.525 8.761 1.00 1.00 H new ATOM 0 HD23 LEU A 40 48.779 -3.198 9.350 1.00 1.00 H new ATOM 601 N LEU A 41 44.536 -4.835 9.705 1.00 1.00 N ATOM 602 CA LEU A 41 43.112 -5.112 9.851 1.00 1.00 C ATOM 603 C LEU A 41 42.717 -5.122 11.324 1.00 1.00 C ATOM 604 O LEU A 41 41.849 -4.360 11.750 1.00 1.00 O ATOM 605 CB LEU A 41 42.776 -6.465 9.222 1.00 1.00 C ATOM 606 CG LEU A 41 41.884 -6.253 7.998 1.00 1.00 C ATOM 607 CD1 LEU A 41 41.693 -7.585 7.269 1.00 1.00 C ATOM 608 CD2 LEU A 41 40.520 -5.721 8.446 1.00 1.00 C ATOM 0 H LEU A 41 45.105 -5.097 10.510 1.00 1.00 H new ATOM 0 HA LEU A 41 42.554 -4.326 9.342 1.00 1.00 H new ATOM 0 HB2 LEU A 41 43.692 -6.981 8.933 1.00 1.00 H new ATOM 0 HB3 LEU A 41 42.269 -7.100 9.949 1.00 1.00 H new ATOM 0 HG LEU A 41 42.354 -5.534 7.327 1.00 1.00 H new ATOM 0 HD11 LEU A 41 41.057 -7.434 6.397 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.663 -7.967 6.950 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.223 -8.303 7.941 1.00 1.00 H new ATOM 0 HD21 LEU A 41 39.884 -5.570 7.574 1.00 1.00 H new ATOM 0 HD22 LEU A 41 40.051 -6.441 9.117 1.00 1.00 H new ATOM 0 HD23 LEU A 41 40.653 -4.773 8.967 1.00 1.00 H new ATOM 620 N GLY A 42 43.361 -5.990 12.098 1.00 1.00 N ATOM 621 CA GLY A 42 43.069 -6.091 13.523 1.00 1.00 C ATOM 622 C GLY A 42 44.051 -5.262 14.342 1.00 1.00 C ATOM 623 O GLY A 42 44.097 -5.367 15.568 1.00 1.00 O ATOM 0 H GLY A 42 44.083 -6.629 11.765 1.00 1.00 H new ATOM 0 HA2 GLY A 42 42.052 -5.750 13.714 1.00 1.00 H new ATOM 0 HA3 GLY A 42 43.119 -7.134 13.835 1.00 1.00 H new ATOM 627 N THR A 43 44.838 -4.437 13.656 1.00 1.00 N ATOM 628 CA THR A 43 45.817 -3.594 14.332 1.00 1.00 C ATOM 629 C THR A 43 45.847 -2.203 13.708 1.00 1.00 C ATOM 630 O THR A 43 45.353 -1.238 14.294 1.00 1.00 O ATOM 631 CB THR A 43 47.206 -4.228 14.237 1.00 1.00 C ATOM 632 OG1 THR A 43 48.180 -3.206 14.074 1.00 1.00 O ATOM 633 CG2 THR A 43 47.255 -5.179 13.042 1.00 1.00 C ATOM 0 H THR A 43 44.817 -4.335 12.641 1.00 1.00 H new ATOM 0 HA THR A 43 45.530 -3.504 15.380 1.00 1.00 H new ATOM 0 HB THR A 43 47.414 -4.787 15.149 1.00 1.00 H new ATOM 0 HG1 THR A 43 49.071 -3.610 14.015 1.00 1.00 H new ATOM 0 HG21 THR A 43 48.245 -5.630 12.976 1.00 1.00 H new ATOM 0 HG22 THR A 43 46.508 -5.962 13.169 1.00 1.00 H new ATOM 0 HG23 THR A 43 47.047 -4.624 12.127 1.00 1.00 H new ATOM 641 N THR A 44 46.430 -2.106 12.518 1.00 1.00 N ATOM 642 CA THR A 44 46.519 -0.827 11.824 1.00 1.00 C ATOM 643 C THR A 44 46.877 0.289 12.801 1.00 1.00 C ATOM 644 O THR A 44 46.613 1.464 12.539 1.00 1.00 O ATOM 645 CB THR A 44 45.187 -0.506 11.144 1.00 1.00 C ATOM 646 OG1 THR A 44 44.457 0.410 11.948 1.00 1.00 O ATOM 647 CG2 THR A 44 44.377 -1.791 10.968 1.00 1.00 C ATOM 0 H THR A 44 46.845 -2.892 12.017 1.00 1.00 H new ATOM 0 HA THR A 44 47.302 -0.899 11.069 1.00 1.00 H new ATOM 0 HB THR A 44 45.376 -0.063 10.166 1.00 1.00 H new ATOM 0 HG1 THR A 44 44.932 1.266 11.982 1.00 1.00 H new ATOM 0 HG21 THR A 44 43.428 -1.560 10.483 1.00 1.00 H new ATOM 0 HG22 THR A 44 44.938 -2.493 10.351 1.00 1.00 H new ATOM 0 HG23 THR A 44 44.186 -2.237 11.944 1.00 1.00 H new ATOM 655 N GLY A 45 47.476 -0.086 13.926 1.00 1.00 N ATOM 656 CA GLY A 45 47.863 0.892 14.936 1.00 1.00 C ATOM 657 C GLY A 45 46.885 0.885 16.105 1.00 1.00 C ATOM 658 O GLY A 45 46.682 1.905 16.762 1.00 1.00 O ATOM 0 H GLY A 45 47.703 -1.052 14.161 1.00 1.00 H new ATOM 0 HA2 GLY A 45 48.868 0.670 15.296 1.00 1.00 H new ATOM 0 HA3 GLY A 45 47.896 1.886 14.491 1.00 1.00 H new ATOM 662 N ASN A 46 46.281 -0.274 16.354 1.00 1.00 N ATOM 663 CA ASN A 46 45.321 -0.410 17.445 1.00 1.00 C ATOM 664 C ASN A 46 45.649 -1.631 18.299 1.00 1.00 C ATOM 665 O ASN A 46 45.391 -1.645 19.503 1.00 1.00 O ATOM 666 CB ASN A 46 43.906 -0.547 16.881 1.00 1.00 C ATOM 667 CG ASN A 46 43.561 0.674 16.034 1.00 1.00 C ATOM 668 OD1 ASN A 46 43.385 1.769 16.567 1.00 1.00 O ATOM 669 ND2 ASN A 46 43.453 0.549 14.740 1.00 1.00 N ATOM 0 H ASN A 46 46.438 -1.128 15.818 1.00 1.00 H new ATOM 0 HA ASN A 46 45.380 0.482 18.068 1.00 1.00 H new ATOM 0 HB2 ASN A 46 43.832 -1.451 16.277 1.00 1.00 H new ATOM 0 HB3 ASN A 46 43.189 -0.649 17.696 1.00 1.00 H new ATOM 0 HD21 ASN A 46 43.222 1.360 14.167 1.00 1.00 H new ATOM 0 HD22 ASN A 46 43.600 -0.360 14.301 1.00 1.00 H new ATOM 676 N GLY A 47 46.220 -2.655 17.670 1.00 1.00 N ATOM 677 CA GLY A 47 46.577 -3.874 18.385 1.00 1.00 C ATOM 678 C GLY A 47 47.986 -3.771 18.962 1.00 1.00 C ATOM 679 O GLY A 47 48.393 -4.601 19.775 1.00 1.00 O ATOM 0 H GLY A 47 46.443 -2.664 16.675 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.862 -4.052 19.188 1.00 1.00 H new ATOM 0 HA3 GLY A 47 46.517 -4.728 17.710 1.00 1.00 H new ATOM 683 N LEU A 48 48.721 -2.748 18.533 1.00 1.00 N ATOM 684 CA LEU A 48 50.085 -2.539 19.010 1.00 1.00 C ATOM 685 C LEU A 48 50.242 -1.127 19.566 1.00 1.00 C ATOM 686 O LEU A 48 51.316 -0.532 19.482 1.00 1.00 O ATOM 687 CB LEU A 48 51.097 -2.754 17.872 1.00 1.00 C ATOM 688 CG LEU A 48 50.467 -3.556 16.725 1.00 1.00 C ATOM 689 CD1 LEU A 48 51.481 -3.690 15.589 1.00 1.00 C ATOM 690 CD2 LEU A 48 50.078 -4.954 17.217 1.00 1.00 C ATOM 0 H LEU A 48 48.397 -2.054 17.859 1.00 1.00 H new ATOM 0 HA LEU A 48 50.280 -3.263 19.801 1.00 1.00 H new ATOM 0 HB2 LEU A 48 51.443 -1.790 17.500 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.972 -3.281 18.252 1.00 1.00 H new ATOM 0 HG LEU A 48 49.576 -3.037 16.372 1.00 1.00 H new ATOM 0 HD11 LEU A 48 51.038 -4.259 14.771 1.00 1.00 H new ATOM 0 HD12 LEU A 48 51.760 -2.699 15.232 1.00 1.00 H new ATOM 0 HD13 LEU A 48 52.369 -4.208 15.953 1.00 1.00 H new ATOM 0 HD21 LEU A 48 49.632 -5.517 16.397 1.00 1.00 H new ATOM 0 HD22 LEU A 48 50.967 -5.475 17.573 1.00 1.00 H new ATOM 0 HD23 LEU A 48 49.358 -4.866 18.031 1.00 1.00 H new ATOM 702 N VAL A 49 49.163 -0.597 20.135 1.00 1.00 N ATOM 703 CA VAL A 49 49.192 0.748 20.703 1.00 1.00 C ATOM 704 C VAL A 49 48.506 0.770 22.066 1.00 1.00 C ATOM 705 O VAL A 49 49.094 1.199 23.059 1.00 1.00 O ATOM 706 CB VAL A 49 48.490 1.726 19.761 1.00 1.00 C ATOM 707 CG1 VAL A 49 48.663 3.153 20.286 1.00 1.00 C ATOM 708 CG2 VAL A 49 49.110 1.620 18.365 1.00 1.00 C ATOM 0 H VAL A 49 48.265 -1.073 20.215 1.00 1.00 H new ATOM 0 HA VAL A 49 50.233 1.047 20.829 1.00 1.00 H new ATOM 0 HB VAL A 49 47.429 1.483 19.709 1.00 1.00 H new ATOM 0 HG11 VAL A 49 48.163 3.851 19.615 1.00 1.00 H new ATOM 0 HG12 VAL A 49 48.225 3.230 21.281 1.00 1.00 H new ATOM 0 HG13 VAL A 49 49.724 3.396 20.336 1.00 1.00 H new ATOM 0 HG21 VAL A 49 48.611 2.317 17.691 1.00 1.00 H new ATOM 0 HG22 VAL A 49 50.171 1.864 18.419 1.00 1.00 H new ATOM 0 HG23 VAL A 49 48.990 0.604 17.990 1.00 1.00 H new ATOM 718 N LEU A 50 47.261 0.306 22.106 1.00 1.00 N ATOM 719 CA LEU A 50 46.507 0.278 23.355 1.00 1.00 C ATOM 720 C LEU A 50 46.490 -1.132 23.936 1.00 1.00 C ATOM 721 O LEU A 50 46.310 -1.317 25.139 1.00 1.00 O ATOM 722 CB LEU A 50 45.072 0.749 23.110 1.00 1.00 C ATOM 723 CG LEU A 50 44.392 -0.181 22.104 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.263 -0.946 22.797 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.815 0.647 20.954 1.00 1.00 C ATOM 0 H LEU A 50 46.756 -0.053 21.296 1.00 1.00 H new ATOM 0 HA LEU A 50 46.991 0.947 24.066 1.00 1.00 H new ATOM 0 HB2 LEU A 50 44.516 0.756 24.047 1.00 1.00 H new ATOM 0 HB3 LEU A 50 45.074 1.771 22.732 1.00 1.00 H new ATOM 0 HG LEU A 50 45.123 -0.889 21.713 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.779 -1.609 22.080 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.673 -1.536 23.617 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.532 -0.239 23.189 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.330 -0.015 20.237 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.084 1.355 21.346 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.619 1.192 20.459 1.00 1.00 H new ATOM 737 N TRP A 51 46.681 -2.123 23.071 1.00 1.00 N ATOM 738 CA TRP A 51 46.688 -3.515 23.505 1.00 1.00 C ATOM 739 C TRP A 51 48.025 -3.863 24.153 1.00 1.00 C ATOM 740 O TRP A 51 48.175 -4.921 24.765 1.00 1.00 O ATOM 741 CB TRP A 51 46.437 -4.433 22.305 1.00 1.00 C ATOM 742 CG TRP A 51 47.126 -5.744 22.516 1.00 1.00 C ATOM 743 CD1 TRP A 51 46.513 -6.892 22.881 1.00 1.00 C ATOM 744 CD2 TRP A 51 48.542 -6.060 22.379 1.00 1.00 C ATOM 745 NE1 TRP A 51 47.462 -7.894 22.978 1.00 1.00 N ATOM 746 CE2 TRP A 51 48.727 -7.431 22.677 1.00 1.00 C ATOM 747 CE3 TRP A 51 49.672 -5.300 22.028 1.00 1.00 C ATOM 748 CZ2 TRP A 51 49.989 -8.027 22.629 1.00 1.00 C ATOM 749 CZ3 TRP A 51 50.943 -5.895 21.979 1.00 1.00 C ATOM 750 CH2 TRP A 51 51.100 -7.257 22.279 1.00 1.00 C ATOM 0 H TRP A 51 46.832 -1.989 22.071 1.00 1.00 H new ATOM 0 HA TRP A 51 45.896 -3.657 24.240 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.366 -4.591 22.175 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.803 -3.962 21.393 1.00 1.00 H new ATOM 0 HD1 TRP A 51 45.455 -7.008 23.067 1.00 1.00 H new ATOM 0 HE1 TRP A 51 47.252 -8.857 23.240 1.00 1.00 H new ATOM 0 HE3 TRP A 51 49.561 -4.251 21.794 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 50.105 -9.075 22.861 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 51.804 -5.302 21.709 1.00 1.00 H new ATOM 0 HH2 TRP A 51 52.080 -7.709 22.239 1.00 1.00 H new ATOM 761 N THR A 52 48.994 -2.965 24.016 1.00 1.00 N ATOM 762 CA THR A 52 50.314 -3.188 24.591 1.00 1.00 C ATOM 763 C THR A 52 50.378 -2.653 26.018 1.00 1.00 C ATOM 764 O THR A 52 50.926 -3.299 26.910 1.00 1.00 O ATOM 765 CB THR A 52 51.381 -2.499 23.735 1.00 1.00 C ATOM 766 OG1 THR A 52 52.668 -2.954 24.129 1.00 1.00 O ATOM 767 CG2 THR A 52 51.293 -0.984 23.925 1.00 1.00 C ATOM 0 H THR A 52 48.891 -2.082 23.516 1.00 1.00 H new ATOM 0 HA THR A 52 50.502 -4.261 24.611 1.00 1.00 H new ATOM 0 HB THR A 52 51.215 -2.740 22.685 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.352 -2.515 23.581 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.053 -0.496 23.315 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.306 -0.636 23.621 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.457 -0.739 24.974 1.00 1.00 H new ATOM 775 N VAL A 53 49.813 -1.468 26.226 1.00 1.00 N ATOM 776 CA VAL A 53 49.811 -0.851 27.548 1.00 1.00 C ATOM 777 C VAL A 53 49.341 -1.840 28.610 1.00 1.00 C ATOM 778 O VAL A 53 49.670 -1.700 29.788 1.00 1.00 O ATOM 779 CB VAL A 53 48.894 0.374 27.549 1.00 1.00 C ATOM 780 CG1 VAL A 53 48.693 0.861 28.984 1.00 1.00 C ATOM 781 CG2 VAL A 53 49.535 1.489 26.718 1.00 1.00 C ATOM 0 H VAL A 53 49.353 -0.918 25.500 1.00 1.00 H new ATOM 0 HA VAL A 53 50.831 -0.546 27.784 1.00 1.00 H new ATOM 0 HB VAL A 53 47.929 0.106 27.119 1.00 1.00 H new ATOM 0 HG11 VAL A 53 48.040 1.734 28.984 1.00 1.00 H new ATOM 0 HG12 VAL A 53 48.239 0.067 29.577 1.00 1.00 H new ATOM 0 HG13 VAL A 53 49.657 1.130 29.415 1.00 1.00 H new ATOM 0 HG21 VAL A 53 48.883 2.363 26.717 1.00 1.00 H new ATOM 0 HG22 VAL A 53 50.500 1.756 27.150 1.00 1.00 H new ATOM 0 HG23 VAL A 53 49.679 1.143 25.694 1.00 1.00 H new ATOM 791 N PHE A 54 48.570 -2.835 28.188 1.00 1.00 N ATOM 792 CA PHE A 54 48.059 -3.838 29.117 1.00 1.00 C ATOM 793 C PHE A 54 48.880 -5.122 29.028 1.00 1.00 C ATOM 794 O PHE A 54 48.883 -5.932 29.956 1.00 1.00 O ATOM 795 CB PHE A 54 46.593 -4.140 28.802 1.00 1.00 C ATOM 796 CG PHE A 54 46.454 -5.581 28.372 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.424 -6.598 29.333 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.357 -5.898 27.013 1.00 1.00 C ATOM 799 CE1 PHE A 54 46.295 -7.934 28.933 1.00 1.00 C ATOM 800 CE2 PHE A 54 46.227 -7.234 26.613 1.00 1.00 C ATOM 801 CZ PHE A 54 46.197 -8.252 27.573 1.00 1.00 C ATOM 0 H PHE A 54 48.286 -2.969 27.218 1.00 1.00 H new ATOM 0 HA PHE A 54 48.138 -3.443 30.130 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.975 -3.951 29.680 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.236 -3.478 28.013 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.500 -6.353 30.382 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.382 -5.113 26.272 1.00 1.00 H new ATOM 0 HE1 PHE A 54 46.271 -8.719 29.674 1.00 1.00 H new ATOM 0 HE2 PHE A 54 46.150 -7.479 25.564 1.00 1.00 H new ATOM 0 HZ PHE A 54 46.098 -9.282 27.265 1.00 1.00 H new ATOM 811 N ARG A 55 49.574 -5.301 27.909 1.00 1.00 N ATOM 812 CA ARG A 55 50.395 -6.491 27.712 1.00 1.00 C ATOM 813 C ARG A 55 51.800 -6.271 28.263 1.00 1.00 C ATOM 814 O ARG A 55 52.304 -7.074 29.048 1.00 1.00 O ATOM 815 CB ARG A 55 50.481 -6.825 26.222 1.00 1.00 C ATOM 816 CG ARG A 55 50.938 -8.273 26.046 1.00 1.00 C ATOM 817 CD ARG A 55 49.725 -9.203 26.078 1.00 1.00 C ATOM 818 NE ARG A 55 50.085 -10.469 26.694 1.00 1.00 N ATOM 819 CZ ARG A 55 50.625 -11.454 25.986 1.00 1.00 C ATOM 820 NH1 ARG A 55 50.850 -11.294 24.711 1.00 1.00 N ATOM 821 NH2 ARG A 55 50.930 -12.584 26.566 1.00 1.00 N ATOM 0 H ARG A 55 49.585 -4.643 27.130 1.00 1.00 H new ATOM 0 HA ARG A 55 49.931 -7.320 28.246 1.00 1.00 H new ATOM 0 HB2 ARG A 55 49.509 -6.680 25.750 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.180 -6.150 25.728 1.00 1.00 H new ATOM 0 HG2 ARG A 55 51.469 -8.385 25.101 1.00 1.00 H new ATOM 0 HG3 ARG A 55 51.637 -8.543 26.838 1.00 1.00 H new ATOM 0 HD2 ARG A 55 48.913 -8.736 26.635 1.00 1.00 H new ATOM 0 HD3 ARG A 55 49.360 -9.373 25.065 1.00 1.00 H new ATOM 0 HE ARG A 55 49.919 -10.604 27.691 1.00 1.00 H new ATOM 0 HH11 ARG A 55 50.611 -10.412 24.258 1.00 1.00 H new ATOM 0 HH12 ARG A 55 51.265 -12.051 24.167 1.00 1.00 H new ATOM 0 HH21 ARG A 55 50.753 -12.710 27.563 1.00 1.00 H new ATOM 0 HH22 ARG A 55 51.345 -13.341 26.022 1.00 1.00 H new ATOM 835 N LYS A 56 52.426 -5.177 27.843 1.00 1.00 N ATOM 836 CA LYS A 56 53.774 -4.856 28.295 1.00 1.00 C ATOM 837 C LYS A 56 53.867 -4.939 29.816 1.00 1.00 C ATOM 838 O LYS A 56 54.962 -4.992 30.377 1.00 1.00 O ATOM 839 CB LYS A 56 54.155 -3.448 27.832 1.00 1.00 C ATOM 840 CG LYS A 56 53.104 -2.445 28.329 1.00 1.00 C ATOM 841 CD LYS A 56 53.721 -1.472 29.340 1.00 1.00 C ATOM 842 CE LYS A 56 54.539 -0.409 28.601 1.00 1.00 C ATOM 843 NZ LYS A 56 55.057 0.588 29.580 1.00 1.00 N ATOM 0 H LYS A 56 52.024 -4.501 27.194 1.00 1.00 H new ATOM 0 HA LYS A 56 54.465 -5.581 27.864 1.00 1.00 H new ATOM 0 HB2 LYS A 56 55.139 -3.181 28.217 1.00 1.00 H new ATOM 0 HB3 LYS A 56 54.219 -3.416 26.744 1.00 1.00 H new ATOM 0 HG2 LYS A 56 52.696 -1.890 27.485 1.00 1.00 H new ATOM 0 HG3 LYS A 56 52.274 -2.979 28.791 1.00 1.00 H new ATOM 0 HD2 LYS A 56 52.936 -0.997 29.928 1.00 1.00 H new ATOM 0 HD3 LYS A 56 54.358 -2.014 30.039 1.00 1.00 H new ATOM 0 HE2 LYS A 56 55.368 -0.877 28.069 1.00 1.00 H new ATOM 0 HE3 LYS A 56 53.920 0.087 27.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 55.613 1.310 29.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 54.259 1.042 30.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 55.661 0.108 30.277 1.00 1.00 H new ATOM 857 N LYS A 57 52.714 -4.950 30.476 1.00 1.00 N ATOM 858 CA LYS A 57 52.681 -5.028 31.931 1.00 1.00 C ATOM 859 C LYS A 57 53.262 -6.355 32.410 1.00 1.00 C ATOM 860 O LYS A 57 53.937 -6.412 33.438 1.00 1.00 O ATOM 861 CB LYS A 57 51.241 -4.891 32.429 1.00 1.00 C ATOM 862 CG LYS A 57 50.665 -3.555 31.956 1.00 1.00 C ATOM 863 CD LYS A 57 49.496 -3.155 32.857 1.00 1.00 C ATOM 864 CE LYS A 57 49.999 -2.222 33.961 1.00 1.00 C ATOM 865 NZ LYS A 57 50.312 -0.887 33.377 1.00 1.00 N ATOM 0 H LYS A 57 51.797 -4.906 30.031 1.00 1.00 H new ATOM 0 HA LYS A 57 53.284 -4.214 32.333 1.00 1.00 H new ATOM 0 HB2 LYS A 57 50.634 -5.715 32.053 1.00 1.00 H new ATOM 0 HB3 LYS A 57 51.214 -4.946 33.517 1.00 1.00 H new ATOM 0 HG2 LYS A 57 51.436 -2.785 31.980 1.00 1.00 H new ATOM 0 HG3 LYS A 57 50.329 -3.637 30.922 1.00 1.00 H new ATOM 0 HD2 LYS A 57 48.724 -2.658 32.270 1.00 1.00 H new ATOM 0 HD3 LYS A 57 49.041 -4.043 33.296 1.00 1.00 H new ATOM 0 HE2 LYS A 57 49.243 -2.122 34.740 1.00 1.00 H new ATOM 0 HE3 LYS A 57 50.888 -2.643 34.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 50.207 -0.155 34.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 51.289 -0.884 33.022 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 49.658 -0.689 32.593 1.00 1.00 H new ATOM 879 N GLY A 58 52.996 -7.417 31.657 1.00 1.00 N ATOM 880 CA GLY A 58 53.496 -8.741 32.011 1.00 1.00 C ATOM 881 C GLY A 58 52.397 -9.789 31.887 1.00 1.00 C ATOM 882 O GLY A 58 51.985 -10.392 32.878 1.00 1.00 O ATOM 0 H GLY A 58 52.440 -7.388 30.802 1.00 1.00 H new ATOM 0 HA2 GLY A 58 54.330 -9.005 31.361 1.00 1.00 H new ATOM 0 HA3 GLY A 58 53.879 -8.729 33.032 1.00 1.00 H new ATOM 886 N HIS A 59 51.930 -10.002 30.661 1.00 1.00 N ATOM 887 CA HIS A 59 50.880 -10.981 30.412 1.00 1.00 C ATOM 888 C HIS A 59 49.819 -10.928 31.507 1.00 1.00 C ATOM 889 O HIS A 59 49.744 -11.814 32.358 1.00 1.00 O ATOM 890 CB HIS A 59 51.484 -12.385 30.346 1.00 1.00 C ATOM 891 CG HIS A 59 52.217 -12.682 31.624 1.00 1.00 C ATOM 892 ND1 HIS A 59 51.609 -13.319 32.696 1.00 1.00 N ATOM 893 CD2 HIS A 59 53.511 -12.441 32.017 1.00 1.00 C ATOM 894 CE1 HIS A 59 52.528 -13.437 33.672 1.00 1.00 C ATOM 895 NE2 HIS A 59 53.704 -12.919 33.310 1.00 1.00 N ATOM 0 H HIS A 59 52.260 -9.513 29.829 1.00 1.00 H new ATOM 0 HA HIS A 59 50.407 -10.743 29.459 1.00 1.00 H new ATOM 0 HB2 HIS A 59 50.697 -13.123 30.187 1.00 1.00 H new ATOM 0 HB3 HIS A 59 52.166 -12.458 29.499 1.00 1.00 H new ATOM 0 HD1 HIS A 59 50.642 -13.640 32.737 1.00 1.00 H new ATOM 0 HD2 HIS A 59 54.264 -11.955 31.415 1.00 1.00 H new ATOM 0 HE1 HIS A 59 52.337 -13.895 34.631 1.00 1.00 H new ATOM 903 N HIS A 60 48.999 -9.881 31.476 1.00 1.00 N ATOM 904 CA HIS A 60 47.943 -9.721 32.470 1.00 1.00 C ATOM 905 C HIS A 60 48.471 -10.022 33.869 1.00 1.00 C ATOM 906 O HIS A 60 47.726 -10.467 34.741 1.00 1.00 O ATOM 907 CB HIS A 60 46.777 -10.658 32.150 1.00 1.00 C ATOM 908 CG HIS A 60 45.488 -10.023 32.592 1.00 1.00 C ATOM 909 ND1 HIS A 60 44.552 -10.703 33.355 1.00 1.00 N ATOM 910 CD2 HIS A 60 44.964 -8.771 32.385 1.00 1.00 C ATOM 911 CE1 HIS A 60 43.523 -9.865 33.579 1.00 1.00 C ATOM 912 NE2 HIS A 60 43.723 -8.674 33.010 1.00 1.00 N ATOM 0 H HIS A 60 49.045 -9.137 30.780 1.00 1.00 H new ATOM 0 HA HIS A 60 47.597 -8.688 32.440 1.00 1.00 H new ATOM 0 HB2 HIS A 60 46.745 -10.864 31.080 1.00 1.00 H new ATOM 0 HB3 HIS A 60 46.916 -11.614 32.655 1.00 1.00 H new ATOM 0 HD2 HIS A 60 45.441 -7.982 31.823 1.00 1.00 H new ATOM 0 HE1 HIS A 60 42.643 -10.124 34.149 1.00 1.00 H new ATOM 0 HE2 HIS A 60 43.101 -7.866 33.029 1.00 1.00 H new ATOM 920 N HIS A 61 49.761 -9.774 34.077 1.00 1.00 N ATOM 921 CA HIS A 61 50.376 -10.021 35.372 1.00 1.00 C ATOM 922 C HIS A 61 51.396 -8.937 35.691 1.00 1.00 C ATOM 923 O HIS A 61 51.263 -7.792 35.258 1.00 1.00 O ATOM 924 CB HIS A 61 51.066 -11.387 35.370 1.00 1.00 C ATOM 925 CG HIS A 61 51.017 -11.975 36.753 1.00 1.00 C ATOM 926 ND1 HIS A 61 50.981 -11.395 37.996 1.00 1.00 N flip ATOM 927 CD2 HIS A 61 51.000 -13.344 36.974 1.00 1.00 C flip ATOM 928 CE1 HIS A 61 50.943 -12.385 38.974 1.00 1.00 C flip ATOM 929 NE2 HIS A 61 50.955 -13.540 38.304 1.00 1.00 N flip ATOM 0 H HIS A 61 50.395 -9.405 33.369 1.00 1.00 H new ATOM 0 HA HIS A 61 49.596 -10.009 36.134 1.00 1.00 H new ATOM 0 HB2 HIS A 61 50.574 -12.054 34.662 1.00 1.00 H new ATOM 0 HB3 HIS A 61 52.101 -11.283 35.044 1.00 1.00 H new ATOM 0 HD2 HIS A 61 51.019 -14.113 36.216 1.00 1.00 H new ATOM 0 HE1 HIS A 61 50.911 -12.248 40.045 1.00 1.00 H new ATOM 0 HE2 HIS A 61 50.933 -14.459 38.747 1.00 1.00 H new ATOM 937 N HIS A 62 52.412 -9.313 36.450 1.00 1.00 N ATOM 938 CA HIS A 62 53.461 -8.374 36.833 1.00 1.00 C ATOM 939 C HIS A 62 54.822 -9.064 36.829 1.00 1.00 C ATOM 940 O HIS A 62 55.193 -9.730 37.794 1.00 1.00 O ATOM 941 CB HIS A 62 53.176 -7.812 38.226 1.00 1.00 C ATOM 942 CG HIS A 62 52.069 -6.797 38.142 1.00 1.00 C ATOM 943 ND1 HIS A 62 52.147 -5.684 37.319 1.00 1.00 N ATOM 944 CD2 HIS A 62 50.851 -6.714 38.771 1.00 1.00 C ATOM 945 CE1 HIS A 62 51.008 -4.985 37.475 1.00 1.00 C ATOM 946 NE2 HIS A 62 50.184 -5.568 38.348 1.00 1.00 N ATOM 0 H HIS A 62 52.535 -10.258 36.814 1.00 1.00 H new ATOM 0 HA HIS A 62 53.476 -7.559 36.110 1.00 1.00 H new ATOM 0 HB2 HIS A 62 52.894 -8.618 38.904 1.00 1.00 H new ATOM 0 HB3 HIS A 62 54.075 -7.352 38.635 1.00 1.00 H new ATOM 0 HD2 HIS A 62 50.469 -7.429 39.485 1.00 1.00 H new ATOM 0 HE1 HIS A 62 50.787 -4.064 36.957 1.00 1.00 H new ATOM 0 HE2 HIS A 62 49.263 -5.243 38.642 1.00 1.00 H new ATOM 954 N HIS A 63 55.561 -8.896 35.737 1.00 1.00 N ATOM 955 CA HIS A 63 56.881 -9.507 35.620 1.00 1.00 C ATOM 956 C HIS A 63 57.752 -8.721 34.646 1.00 1.00 C ATOM 957 O HIS A 63 57.682 -8.922 33.433 1.00 1.00 O ATOM 958 CB HIS A 63 56.746 -10.952 35.135 1.00 1.00 C ATOM 959 CG HIS A 63 58.015 -11.702 35.433 1.00 1.00 C ATOM 960 ND1 HIS A 63 58.096 -13.083 35.345 1.00 1.00 N ATOM 961 CD2 HIS A 63 59.262 -11.277 35.818 1.00 1.00 C ATOM 962 CE1 HIS A 63 59.352 -13.438 35.672 1.00 1.00 C ATOM 963 NE2 HIS A 63 60.105 -12.375 35.968 1.00 1.00 N ATOM 0 H HIS A 63 55.272 -8.347 34.927 1.00 1.00 H new ATOM 0 HA HIS A 63 57.354 -9.496 36.602 1.00 1.00 H new ATOM 0 HB2 HIS A 63 55.902 -11.435 35.627 1.00 1.00 H new ATOM 0 HB3 HIS A 63 56.543 -10.970 34.064 1.00 1.00 H new ATOM 0 HD2 HIS A 63 59.546 -10.248 35.980 1.00 1.00 H new ATOM 0 HE1 HIS A 63 59.708 -14.458 35.693 1.00 1.00 H new ATOM 0 HE2 HIS A 63 61.087 -12.369 36.245 1.00 1.00 H new ATOM 971 N HIS A 64 58.571 -7.824 35.185 1.00 1.00 N ATOM 972 CA HIS A 64 59.452 -7.012 34.353 1.00 1.00 C ATOM 973 C HIS A 64 60.428 -7.897 33.583 1.00 1.00 C ATOM 974 O HIS A 64 61.534 -7.446 33.334 1.00 1.00 O ATOM 975 CB HIS A 64 60.233 -6.028 35.226 1.00 1.00 C ATOM 976 CG HIS A 64 60.436 -4.742 34.472 1.00 1.00 C ATOM 977 ND1 HIS A 64 61.583 -4.491 33.735 1.00 1.00 N ATOM 978 CD2 HIS A 64 59.650 -3.626 34.333 1.00 1.00 C ATOM 979 CE1 HIS A 64 61.455 -3.268 33.190 1.00 1.00 C ATOM 980 NE2 HIS A 64 60.294 -2.696 33.522 1.00 1.00 N ATOM 981 OXT HIS A 64 60.054 -9.010 33.253 1.00 1.00 O ATOM 0 H HIS A 64 58.643 -7.642 36.186 1.00 1.00 H new ATOM 0 HA HIS A 64 58.840 -6.459 33.640 1.00 1.00 H new ATOM 0 HB2 HIS A 64 59.691 -5.837 36.152 1.00 1.00 H new ATOM 0 HB3 HIS A 64 61.197 -6.456 35.503 1.00 1.00 H new ATOM 0 HD2 HIS A 64 58.678 -3.490 34.785 1.00 1.00 H new ATOM 0 HE1 HIS A 64 62.200 -2.805 32.560 1.00 1.00 H new ATOM 0 HE2 HIS A 64 59.953 -1.776 33.242 1.00 1.00 H new TER 989 HIS A 64