USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 60 TYR OH : rot -30:sc= 1.01 USER MOD Set 1.2: A 70 SER OG : rot 157:sc= 0.759 USER MOD Set 2.1: A 1 MET N :NH3+ -155:sc= -0.717! (180deg=-1.85!) USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0.615 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 25:sc= 0.889 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -156:sc= -0.203 (180deg=-1.17) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.048 (180deg=-0.536) USER MOD Single : A 33 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.2) USER MOD Single : A 39 MET CE :methyl 143:sc= -2.2! (180deg=-3.12!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -0.0385 (180deg=-0.396) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 0.0135 (180deg=0) USER MOD Single : A 49 SER OG : rot 14:sc= -0.801 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= -0.126 (180deg=-0.858) USER MOD Single : A 64 GLN : amide:sc= -3.65! C(o=-3.7!,f=-4.5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.671 1.014 -10.375 1.00 0.00 N ATOM 2 CA MET A 1 72.354 0.318 -10.409 1.00 0.00 C ATOM 3 C MET A 1 72.535 -1.129 -9.965 1.00 0.00 C ATOM 4 O MET A 1 73.278 -1.892 -10.583 1.00 0.00 O ATOM 5 CB MET A 1 71.793 0.367 -11.833 1.00 0.00 C ATOM 6 CG MET A 1 70.428 -0.324 -11.880 1.00 0.00 C ATOM 7 SD MET A 1 69.756 -0.196 -13.559 1.00 0.00 S ATOM 8 CE MET A 1 68.554 1.121 -13.246 1.00 0.00 C ATOM 0 H1 MET A 1 73.521 2.036 -10.256 1.00 0.00 H new ATOM 0 H2 MET A 1 74.235 0.652 -9.580 1.00 0.00 H new ATOM 0 H3 MET A 1 74.178 0.841 -11.266 1.00 0.00 H new ATOM 0 HA MET A 1 71.656 0.812 -9.733 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.697 1.402 -12.160 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.482 -0.122 -12.521 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.526 -1.371 -11.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.747 0.139 -11.166 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.023 1.355 -14.168 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.841 0.791 -12.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.074 2.011 -12.891 1.00 0.00 H new ATOM 20 N TYR A 2 71.845 -1.505 -8.888 1.00 0.00 N ATOM 21 CA TYR A 2 71.928 -2.870 -8.363 1.00 0.00 C ATOM 22 C TYR A 2 70.548 -3.351 -7.926 1.00 0.00 C ATOM 23 O TYR A 2 69.704 -2.553 -7.516 1.00 0.00 O ATOM 24 CB TYR A 2 72.907 -2.920 -7.170 1.00 0.00 C ATOM 25 CG TYR A 2 73.659 -4.245 -7.154 1.00 0.00 C ATOM 26 CD1 TYR A 2 73.050 -5.398 -6.630 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.967 -4.320 -7.661 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.743 -6.613 -6.618 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.655 -5.538 -7.647 1.00 0.00 C ATOM 30 CZ TYR A 2 75.045 -6.684 -7.125 1.00 0.00 C ATOM 31 OH TYR A 2 75.728 -7.884 -7.112 1.00 0.00 O ATOM 0 H TYR A 2 71.225 -0.888 -8.364 1.00 0.00 H new ATOM 0 HA TYR A 2 72.296 -3.527 -9.151 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.615 -2.094 -7.238 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.359 -2.795 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 2 72.046 -5.346 -6.236 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.442 -3.437 -8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 2 73.272 -7.498 -6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.659 -5.594 -8.040 1.00 0.00 H new ATOM 0 HH TYR A 2 76.618 -7.758 -7.502 1.00 0.00 H new ATOM 41 N GLU A 3 70.323 -4.662 -8.011 1.00 0.00 N ATOM 42 CA GLU A 3 69.037 -5.241 -7.618 1.00 0.00 C ATOM 43 C GLU A 3 69.248 -6.429 -6.681 1.00 0.00 C ATOM 44 O GLU A 3 70.024 -7.336 -6.982 1.00 0.00 O ATOM 45 CB GLU A 3 68.269 -5.710 -8.858 1.00 0.00 C ATOM 46 CG GLU A 3 67.905 -4.513 -9.746 1.00 0.00 C ATOM 47 CD GLU A 3 67.092 -4.992 -10.944 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.820 -6.180 -11.011 1.00 0.00 O ATOM 49 OE2 GLU A 3 66.751 -4.167 -11.774 1.00 0.00 O ATOM 0 H GLU A 3 71.008 -5.339 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 3 68.462 -4.473 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.875 -6.419 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.363 -6.235 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 3 67.332 -3.784 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.811 -4.011 -10.086 1.00 0.00 H new ATOM 56 N PHE A 4 68.540 -6.428 -5.547 1.00 0.00 N ATOM 57 CA PHE A 4 68.654 -7.533 -4.583 1.00 0.00 C ATOM 58 C PHE A 4 67.594 -8.590 -4.893 1.00 0.00 C ATOM 59 O PHE A 4 66.396 -8.305 -4.896 1.00 0.00 O ATOM 60 CB PHE A 4 68.507 -7.003 -3.134 1.00 0.00 C ATOM 61 CG PHE A 4 68.071 -8.095 -2.154 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.570 -9.411 -2.248 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.149 -7.780 -1.136 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.148 -10.388 -1.339 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.734 -8.761 -0.233 1.00 0.00 C ATOM 66 CZ PHE A 4 67.231 -10.066 -0.335 1.00 0.00 C ATOM 0 H PHE A 4 67.892 -5.689 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 4 69.640 -7.990 -4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.458 -6.583 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.778 -6.193 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.279 -9.665 -3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.762 -6.775 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 4 68.533 -11.394 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.028 -8.513 0.546 1.00 0.00 H new ATOM 0 HZ PHE A 4 66.906 -10.824 0.362 1.00 0.00 H new ATOM 76 N LYS A 5 68.052 -9.809 -5.177 1.00 0.00 N ATOM 77 CA LYS A 5 67.153 -10.914 -5.520 1.00 0.00 C ATOM 78 C LYS A 5 67.469 -12.145 -4.676 1.00 0.00 C ATOM 79 O LYS A 5 68.614 -12.358 -4.284 1.00 0.00 O ATOM 80 CB LYS A 5 67.320 -11.251 -7.004 1.00 0.00 C ATOM 81 CG LYS A 5 66.861 -10.057 -7.847 1.00 0.00 C ATOM 82 CD LYS A 5 66.935 -10.404 -9.341 1.00 0.00 C ATOM 83 CE LYS A 5 68.395 -10.436 -9.812 1.00 0.00 C ATOM 84 NZ LYS A 5 68.432 -10.434 -11.302 1.00 0.00 N ATOM 0 H LYS A 5 69.041 -10.058 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 5 66.125 -10.612 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.362 -11.485 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.735 -12.136 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.840 -9.784 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.488 -9.191 -7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 5 66.468 -11.372 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.376 -9.669 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 5 68.934 -9.572 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 5 68.894 -11.324 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 69.420 -10.456 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 67.932 -11.271 -11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 67.970 -9.574 -11.660 1.00 0.00 H new ATOM 98 N LEU A 6 66.442 -12.948 -4.397 1.00 0.00 N ATOM 99 CA LEU A 6 66.611 -14.170 -3.593 1.00 0.00 C ATOM 100 C LEU A 6 66.809 -15.398 -4.504 1.00 0.00 C ATOM 101 O LEU A 6 65.847 -15.858 -5.120 1.00 0.00 O ATOM 102 CB LEU A 6 65.362 -14.396 -2.714 1.00 0.00 C ATOM 103 CG LEU A 6 65.708 -15.265 -1.497 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.469 -15.390 -0.608 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.155 -16.660 -1.957 1.00 0.00 C ATOM 0 H LEU A 6 65.486 -12.780 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 6 67.492 -14.045 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.966 -13.436 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.580 -14.878 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 6 66.521 -14.802 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.705 -16.006 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.158 -14.399 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.661 -15.854 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.398 -17.269 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 6 65.349 -17.134 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.035 -16.569 -2.594 1.00 0.00 H new ATOM 117 N PRO A 7 68.007 -15.950 -4.612 1.00 0.00 N ATOM 118 CA PRO A 7 68.249 -17.146 -5.471 1.00 0.00 C ATOM 119 C PRO A 7 67.803 -18.442 -4.785 1.00 0.00 C ATOM 120 O PRO A 7 67.675 -18.491 -3.562 1.00 0.00 O ATOM 121 CB PRO A 7 69.762 -17.111 -5.702 1.00 0.00 C ATOM 122 CG PRO A 7 70.323 -16.490 -4.462 1.00 0.00 C ATOM 123 CD PRO A 7 69.256 -15.510 -3.945 1.00 0.00 C ATOM 0 HA PRO A 7 67.679 -17.123 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.162 -18.113 -5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.014 -16.526 -6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.547 -17.251 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.257 -15.970 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.166 -15.555 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.503 -14.480 -4.201 1.00 0.00 H new ATOM 131 N ASP A 8 67.568 -19.488 -5.573 1.00 0.00 N ATOM 132 CA ASP A 8 67.134 -20.767 -5.021 1.00 0.00 C ATOM 133 C ASP A 8 68.310 -21.511 -4.390 1.00 0.00 C ATOM 134 O ASP A 8 68.983 -22.304 -5.050 1.00 0.00 O ATOM 135 CB ASP A 8 66.519 -21.625 -6.128 1.00 0.00 C ATOM 136 CG ASP A 8 65.174 -21.041 -6.547 1.00 0.00 C ATOM 137 OD1 ASP A 8 64.404 -20.694 -5.667 1.00 0.00 O ATOM 138 OD2 ASP A 8 64.933 -20.954 -7.741 1.00 0.00 O ATOM 0 H ASP A 8 67.670 -19.476 -6.588 1.00 0.00 H new ATOM 0 HA ASP A 8 66.389 -20.575 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 8 67.191 -21.666 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 8 66.388 -22.649 -5.777 1.00 0.00 H new ATOM 143 N ILE A 9 68.559 -21.250 -3.109 1.00 0.00 N ATOM 144 CA ILE A 9 69.667 -21.907 -2.416 1.00 0.00 C ATOM 145 C ILE A 9 69.429 -23.413 -2.360 1.00 0.00 C ATOM 146 O ILE A 9 70.345 -24.206 -2.581 1.00 0.00 O ATOM 147 CB ILE A 9 69.838 -21.359 -0.982 1.00 0.00 C ATOM 148 CG1 ILE A 9 70.275 -19.885 -1.031 1.00 0.00 C ATOM 149 CG2 ILE A 9 70.916 -22.172 -0.257 1.00 0.00 C ATOM 150 CD1 ILE A 9 70.215 -19.270 0.379 1.00 0.00 C ATOM 0 H ILE A 9 68.020 -20.600 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 9 70.580 -21.699 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 9 68.888 -21.438 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 9 71.288 -19.811 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.627 -19.328 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 9 71.041 -21.789 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.615 -23.219 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 9 71.860 -22.087 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 9 70.526 -18.226 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.195 -19.329 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.882 -19.819 1.044 1.00 0.00 H new ATOM 162 N GLY A 10 68.196 -23.793 -2.056 1.00 0.00 N ATOM 163 CA GLY A 10 67.830 -25.204 -1.963 1.00 0.00 C ATOM 164 C GLY A 10 67.517 -25.782 -3.339 1.00 0.00 C ATOM 165 O GLY A 10 67.369 -25.044 -4.314 1.00 0.00 O ATOM 0 H GLY A 10 67.430 -23.146 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 10 68.645 -25.765 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 10 66.963 -25.316 -1.312 1.00 0.00 H new ATOM 169 N GLU A 11 67.405 -27.107 -3.409 1.00 0.00 N ATOM 170 CA GLU A 11 67.099 -27.770 -4.670 1.00 0.00 C ATOM 171 C GLU A 11 65.689 -27.415 -5.131 1.00 0.00 C ATOM 172 O GLU A 11 65.440 -27.248 -6.325 1.00 0.00 O ATOM 173 CB GLU A 11 67.217 -29.288 -4.518 1.00 0.00 C ATOM 174 CG GLU A 11 68.679 -29.665 -4.275 1.00 0.00 C ATOM 175 CD GLU A 11 68.799 -31.164 -4.024 1.00 0.00 C ATOM 176 OE1 GLU A 11 67.793 -31.845 -4.133 1.00 0.00 O ATOM 177 OE2 GLU A 11 69.893 -31.607 -3.722 1.00 0.00 O ATOM 0 H GLU A 11 67.521 -27.736 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 11 67.816 -27.427 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 11 66.599 -29.630 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 11 66.847 -29.784 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 11 69.283 -29.383 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 11 69.068 -29.113 -3.419 1.00 0.00 H new ATOM 184 N GLY A 12 64.768 -27.297 -4.175 1.00 0.00 N ATOM 185 CA GLY A 12 63.385 -26.957 -4.497 1.00 0.00 C ATOM 186 C GLY A 12 62.694 -26.309 -3.301 1.00 0.00 C ATOM 187 O GLY A 12 62.609 -26.898 -2.225 1.00 0.00 O ATOM 0 H GLY A 12 64.953 -27.431 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 12 63.362 -26.277 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 12 62.844 -27.856 -4.792 1.00 0.00 H new ATOM 191 N VAL A 13 62.202 -25.091 -3.500 1.00 0.00 N ATOM 192 CA VAL A 13 61.516 -24.364 -2.433 1.00 0.00 C ATOM 193 C VAL A 13 60.520 -23.374 -3.026 1.00 0.00 C ATOM 194 O VAL A 13 59.341 -23.369 -2.670 1.00 0.00 O ATOM 195 CB VAL A 13 62.542 -23.610 -1.578 1.00 0.00 C ATOM 196 CG1 VAL A 13 61.812 -22.732 -0.557 1.00 0.00 C ATOM 197 CG2 VAL A 13 63.436 -24.611 -0.835 1.00 0.00 C ATOM 0 H VAL A 13 62.264 -24.587 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 13 60.978 -25.079 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 13 63.157 -22.986 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 13 62.542 -22.197 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 13 61.179 -22.015 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 13 61.195 -23.359 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 13 64.163 -24.070 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 13 62.821 -25.239 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 13 63.960 -25.237 -1.557 1.00 0.00 H new ATOM 207 N THR A 14 61.009 -22.538 -3.934 1.00 0.00 N ATOM 208 CA THR A 14 60.168 -21.540 -4.584 1.00 0.00 C ATOM 209 C THR A 14 59.244 -20.859 -3.580 1.00 0.00 C ATOM 210 O THR A 14 58.036 -21.099 -3.577 1.00 0.00 O ATOM 211 CB THR A 14 59.328 -22.195 -5.681 1.00 0.00 C ATOM 212 OG1 THR A 14 58.441 -23.137 -5.092 1.00 0.00 O ATOM 213 CG2 THR A 14 60.241 -22.911 -6.676 1.00 0.00 C ATOM 0 H THR A 14 61.983 -22.531 -4.237 1.00 0.00 H new ATOM 0 HA THR A 14 60.822 -20.786 -5.022 1.00 0.00 H new ATOM 0 HB THR A 14 58.758 -21.428 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 14 58.267 -22.885 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 14 59.637 -23.376 -7.455 1.00 0.00 H new ATOM 0 HG22 THR A 14 60.923 -22.191 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 14 60.815 -23.678 -6.156 1.00 0.00 H new ATOM 221 N GLU A 15 59.818 -20.008 -2.734 1.00 0.00 N ATOM 222 CA GLU A 15 59.036 -19.293 -1.732 1.00 0.00 C ATOM 223 C GLU A 15 59.906 -18.284 -0.991 1.00 0.00 C ATOM 224 O GLU A 15 61.084 -18.537 -0.736 1.00 0.00 O ATOM 225 CB GLU A 15 58.442 -20.279 -0.722 1.00 0.00 C ATOM 226 CG GLU A 15 57.515 -19.529 0.238 1.00 0.00 C ATOM 227 CD GLU A 15 56.867 -20.508 1.212 1.00 0.00 C ATOM 228 OE1 GLU A 15 56.915 -21.697 0.950 1.00 0.00 O ATOM 229 OE2 GLU A 15 56.332 -20.049 2.208 1.00 0.00 O ATOM 0 H GLU A 15 60.816 -19.798 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 15 58.232 -18.765 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.889 -21.061 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 15 59.240 -20.770 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 15 58.080 -18.777 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.745 -19.001 -0.325 1.00 0.00 H new ATOM 236 N GLY A 16 59.314 -17.146 -0.637 1.00 0.00 N ATOM 237 CA GLY A 16 60.037 -16.107 0.092 1.00 0.00 C ATOM 238 C GLY A 16 59.082 -15.348 1.011 1.00 0.00 C ATOM 239 O GLY A 16 58.224 -14.604 0.538 1.00 0.00 O ATOM 0 H GLY A 16 58.341 -16.920 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.839 -16.555 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.503 -15.416 -0.611 1.00 0.00 H new ATOM 243 N GLU A 17 59.236 -15.534 2.329 1.00 0.00 N ATOM 244 CA GLU A 17 58.379 -14.857 3.309 1.00 0.00 C ATOM 245 C GLU A 17 59.227 -14.042 4.278 1.00 0.00 C ATOM 246 O GLU A 17 60.267 -14.503 4.748 1.00 0.00 O ATOM 247 CB GLU A 17 57.560 -15.896 4.079 1.00 0.00 C ATOM 248 CG GLU A 17 56.620 -15.182 5.054 1.00 0.00 C ATOM 249 CD GLU A 17 55.682 -16.188 5.712 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.919 -17.375 5.568 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.732 -15.753 6.343 1.00 0.00 O ATOM 0 H GLU A 17 59.943 -16.145 2.739 1.00 0.00 H new ATOM 0 HA GLU A 17 57.704 -14.182 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.985 -16.509 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.224 -16.568 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.201 -14.663 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.041 -14.426 4.524 1.00 0.00 H new ATOM 258 N ILE A 18 58.784 -12.817 4.554 1.00 0.00 N ATOM 259 CA ILE A 18 59.513 -11.911 5.449 1.00 0.00 C ATOM 260 C ILE A 18 58.875 -11.842 6.833 1.00 0.00 C ATOM 261 O ILE A 18 57.709 -11.474 6.976 1.00 0.00 O ATOM 262 CB ILE A 18 59.526 -10.514 4.816 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.368 -10.532 3.524 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.095 -9.484 5.796 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.875 -10.449 3.841 1.00 0.00 C ATOM 0 H ILE A 18 57.923 -12.426 4.172 1.00 0.00 H new ATOM 0 HA ILE A 18 60.527 -12.290 5.578 1.00 0.00 H new ATOM 0 HB ILE A 18 58.501 -10.232 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.161 -11.444 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.081 -9.695 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.096 -8.499 5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.479 -9.458 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.115 -9.760 6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.444 -10.464 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.083 -9.524 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.165 -11.300 4.457 1.00 0.00 H new ATOM 277 N VAL A 19 59.664 -12.195 7.853 1.00 0.00 N ATOM 278 CA VAL A 19 59.196 -12.170 9.235 1.00 0.00 C ATOM 279 C VAL A 19 59.518 -10.830 9.910 1.00 0.00 C ATOM 280 O VAL A 19 58.690 -10.294 10.647 1.00 0.00 O ATOM 281 CB VAL A 19 59.853 -13.306 10.019 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.358 -13.048 10.135 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.243 -13.382 11.420 1.00 0.00 C ATOM 0 H VAL A 19 60.631 -12.501 7.743 1.00 0.00 H new ATOM 0 HA VAL A 19 58.113 -12.297 9.229 1.00 0.00 H new ATOM 0 HB VAL A 19 59.684 -14.247 9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.824 -13.859 10.694 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.796 -12.996 9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.526 -12.105 10.655 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.712 -14.192 11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.409 -12.439 11.941 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.172 -13.569 11.341 1.00 0.00 H new ATOM 293 N ARG A 20 60.730 -10.301 9.683 1.00 0.00 N ATOM 294 CA ARG A 20 61.136 -9.032 10.311 1.00 0.00 C ATOM 295 C ARG A 20 61.977 -8.160 9.368 1.00 0.00 C ATOM 296 O ARG A 20 62.881 -8.650 8.689 1.00 0.00 O ATOM 297 CB ARG A 20 61.940 -9.343 11.584 1.00 0.00 C ATOM 298 CG ARG A 20 62.313 -8.047 12.311 1.00 0.00 C ATOM 299 CD ARG A 20 63.114 -8.379 13.571 1.00 0.00 C ATOM 300 NE ARG A 20 63.367 -7.160 14.337 1.00 0.00 N ATOM 301 CZ ARG A 20 64.416 -6.385 14.071 1.00 0.00 C ATOM 302 NH1 ARG A 20 65.251 -6.719 13.125 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.615 -5.292 14.754 1.00 0.00 N ATOM 0 H ARG A 20 61.436 -10.723 9.080 1.00 0.00 H new ATOM 0 HA ARG A 20 60.234 -8.470 10.552 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.354 -9.982 12.245 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.843 -9.895 11.325 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.899 -7.405 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.412 -7.494 12.576 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.566 -9.096 14.182 1.00 0.00 H new ATOM 0 HD3 ARG A 20 64.058 -8.850 13.298 1.00 0.00 H new ATOM 0 HE ARG A 20 62.729 -6.899 15.088 1.00 0.00 H new ATOM 0 HH11 ARG A 20 65.100 -7.574 12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 20 66.055 -6.125 12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.966 -5.028 15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 20 65.420 -4.701 14.547 1.00 0.00 H new ATOM 317 N TRP A 21 61.685 -6.850 9.363 1.00 0.00 N ATOM 318 CA TRP A 21 62.429 -5.879 8.538 1.00 0.00 C ATOM 319 C TRP A 21 63.285 -4.997 9.457 1.00 0.00 C ATOM 320 O TRP A 21 62.831 -4.605 10.533 1.00 0.00 O ATOM 321 CB TRP A 21 61.461 -4.950 7.757 1.00 0.00 C ATOM 322 CG TRP A 21 61.076 -5.520 6.423 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.805 -5.793 6.055 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.913 -5.826 5.261 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.805 -6.275 4.760 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.078 -6.315 4.226 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.298 -5.747 5.005 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.595 -6.703 2.985 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.818 -6.135 3.757 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.969 -6.610 2.750 1.00 0.00 C ATOM 0 H TRP A 21 60.938 -6.436 9.921 1.00 0.00 H new ATOM 0 HA TRP A 21 63.044 -6.435 7.831 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.563 -4.783 8.351 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.932 -3.978 7.612 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.930 -5.657 6.673 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.966 -6.566 4.259 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.965 -5.386 5.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.936 -7.072 2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.880 -6.066 3.574 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.375 -6.904 1.794 1.00 0.00 H new ATOM 341 N ASP A 22 64.508 -4.668 9.028 1.00 0.00 N ATOM 342 CA ASP A 22 65.395 -3.808 9.829 1.00 0.00 C ATOM 343 C ASP A 22 65.673 -2.473 9.132 1.00 0.00 C ATOM 344 O ASP A 22 66.453 -1.663 9.633 1.00 0.00 O ATOM 345 CB ASP A 22 66.719 -4.527 10.097 1.00 0.00 C ATOM 346 CG ASP A 22 67.252 -5.161 8.816 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.532 -5.165 7.830 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.376 -5.634 8.838 1.00 0.00 O ATOM 0 H ASP A 22 64.906 -4.978 8.142 1.00 0.00 H new ATOM 0 HA ASP A 22 64.887 -3.600 10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.450 -3.821 10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.575 -5.295 10.857 1.00 0.00 H new ATOM 353 N VAL A 23 65.051 -2.247 7.972 1.00 0.00 N ATOM 354 CA VAL A 23 65.265 -1.000 7.224 1.00 0.00 C ATOM 355 C VAL A 23 63.938 -0.450 6.700 1.00 0.00 C ATOM 356 O VAL A 23 62.977 -1.196 6.518 1.00 0.00 O ATOM 357 CB VAL A 23 66.239 -1.264 6.060 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.413 -2.115 6.566 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.518 -2.007 4.922 1.00 0.00 C ATOM 0 H VAL A 23 64.403 -2.900 7.533 1.00 0.00 H new ATOM 0 HA VAL A 23 65.696 -0.253 7.891 1.00 0.00 H new ATOM 0 HB VAL A 23 66.609 -0.312 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.105 -2.305 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.932 -1.582 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.036 -3.063 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.217 -2.188 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.139 -2.959 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.687 -1.401 4.561 1.00 0.00 H new ATOM 369 N LYS A 24 63.891 0.863 6.456 1.00 0.00 N ATOM 370 CA LYS A 24 62.672 1.504 5.951 1.00 0.00 C ATOM 371 C LYS A 24 62.987 2.473 4.814 1.00 0.00 C ATOM 372 O LYS A 24 64.070 3.049 4.750 1.00 0.00 O ATOM 373 CB LYS A 24 61.972 2.249 7.088 1.00 0.00 C ATOM 374 CG LYS A 24 61.444 1.231 8.101 1.00 0.00 C ATOM 375 CD LYS A 24 60.754 1.957 9.258 1.00 0.00 C ATOM 376 CE LYS A 24 60.233 0.928 10.262 1.00 0.00 C ATOM 377 NZ LYS A 24 59.581 1.632 11.402 1.00 0.00 N ATOM 0 H LYS A 24 64.676 1.499 6.598 1.00 0.00 H new ATOM 0 HA LYS A 24 62.014 0.727 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.667 2.936 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.151 2.850 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.742 0.553 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.265 0.623 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.454 2.636 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 24 59.931 2.564 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.521 0.260 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.054 0.310 10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 59.227 0.932 12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 60.273 2.252 11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 58.787 2.204 11.049 1.00 0.00 H new ATOM 391 N GLU A 25 62.027 2.635 3.912 1.00 0.00 N ATOM 392 CA GLU A 25 62.196 3.525 2.765 1.00 0.00 C ATOM 393 C GLU A 25 62.695 4.902 3.205 1.00 0.00 C ATOM 394 O GLU A 25 62.143 5.514 4.120 1.00 0.00 O ATOM 395 CB GLU A 25 60.859 3.670 2.032 1.00 0.00 C ATOM 396 CG GLU A 25 61.072 4.348 0.672 1.00 0.00 C ATOM 397 CD GLU A 25 61.332 5.840 0.859 1.00 0.00 C ATOM 398 OE1 GLU A 25 60.613 6.455 1.629 1.00 0.00 O ATOM 399 OE2 GLU A 25 62.242 6.346 0.222 1.00 0.00 O ATOM 0 H GLU A 25 61.123 2.163 3.950 1.00 0.00 H new ATOM 0 HA GLU A 25 62.940 3.091 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.405 2.689 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.167 4.258 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.914 3.887 0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.194 4.201 0.043 1.00 0.00 H new ATOM 406 N GLY A 26 63.738 5.389 2.528 1.00 0.00 N ATOM 407 CA GLY A 26 64.308 6.704 2.826 1.00 0.00 C ATOM 408 C GLY A 26 65.432 6.638 3.863 1.00 0.00 C ATOM 409 O GLY A 26 65.947 7.676 4.281 1.00 0.00 O ATOM 0 H GLY A 26 64.205 4.892 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.693 7.146 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.520 7.363 3.191 1.00 0.00 H new ATOM 413 N ASP A 27 65.822 5.429 4.274 1.00 0.00 N ATOM 414 CA ASP A 27 66.902 5.275 5.263 1.00 0.00 C ATOM 415 C ASP A 27 68.177 4.764 4.596 1.00 0.00 C ATOM 416 O ASP A 27 68.121 4.045 3.603 1.00 0.00 O ATOM 417 CB ASP A 27 66.479 4.304 6.370 1.00 0.00 C ATOM 418 CG ASP A 27 66.416 2.875 5.842 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.437 2.704 4.635 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.325 1.971 6.657 1.00 0.00 O ATOM 0 H ASP A 27 65.416 4.553 3.946 1.00 0.00 H new ATOM 0 HA ASP A 27 67.100 6.254 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.185 4.360 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.504 4.595 6.762 1.00 0.00 H new ATOM 425 N MET A 28 69.323 5.146 5.155 1.00 0.00 N ATOM 426 CA MET A 28 70.614 4.721 4.615 1.00 0.00 C ATOM 427 C MET A 28 70.994 3.357 5.188 1.00 0.00 C ATOM 428 O MET A 28 70.558 2.998 6.283 1.00 0.00 O ATOM 429 CB MET A 28 71.697 5.750 4.969 1.00 0.00 C ATOM 430 CG MET A 28 71.351 7.112 4.356 1.00 0.00 C ATOM 431 SD MET A 28 71.284 6.984 2.549 1.00 0.00 S ATOM 432 CE MET A 28 73.032 6.610 2.265 1.00 0.00 C ATOM 0 H MET A 28 69.385 5.746 5.978 1.00 0.00 H new ATOM 0 HA MET A 28 70.535 4.646 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.783 5.841 6.052 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.665 5.412 4.600 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.391 7.459 4.739 1.00 0.00 H new ATOM 0 HG3 MET A 28 72.097 7.851 4.648 1.00 0.00 H new ATOM 0 HE1 MET A 28 73.307 6.903 1.252 1.00 0.00 H new ATOM 0 HE2 MET A 28 73.643 7.161 2.980 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.201 5.541 2.392 1.00 0.00 H new ATOM 442 N VAL A 29 71.798 2.590 4.445 1.00 0.00 N ATOM 443 CA VAL A 29 72.217 1.256 4.894 1.00 0.00 C ATOM 444 C VAL A 29 73.735 1.137 4.893 1.00 0.00 C ATOM 445 O VAL A 29 74.431 1.918 4.244 1.00 0.00 O ATOM 446 CB VAL A 29 71.621 0.189 3.977 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.924 -1.205 4.538 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.109 0.392 3.892 1.00 0.00 C ATOM 0 H VAL A 29 72.170 2.866 3.536 1.00 0.00 H new ATOM 0 HA VAL A 29 71.856 1.108 5.912 1.00 0.00 H new ATOM 0 HB VAL A 29 72.060 0.274 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.497 -1.962 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.003 -1.345 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.488 -1.300 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.676 -0.366 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.674 0.305 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.897 1.382 3.489 1.00 0.00 H new ATOM 458 N GLU A 30 74.238 0.155 5.641 1.00 0.00 N ATOM 459 CA GLU A 30 75.678 -0.082 5.753 1.00 0.00 C ATOM 460 C GLU A 30 76.030 -1.470 5.226 1.00 0.00 C ATOM 461 O GLU A 30 75.205 -2.383 5.243 1.00 0.00 O ATOM 462 CB GLU A 30 76.109 0.027 7.222 1.00 0.00 C ATOM 463 CG GLU A 30 75.954 1.475 7.715 1.00 0.00 C ATOM 464 CD GLU A 30 74.501 1.758 8.086 1.00 0.00 C ATOM 465 OE1 GLU A 30 73.671 0.892 7.862 1.00 0.00 O ATOM 466 OE2 GLU A 30 74.239 2.839 8.588 1.00 0.00 O ATOM 0 H GLU A 30 73.666 -0.493 6.182 1.00 0.00 H new ATOM 0 HA GLU A 30 76.201 0.668 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 30 75.505 -0.641 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.146 -0.292 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.596 1.642 8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.279 2.167 6.938 1.00 0.00 H new ATOM 473 N LYS A 31 77.258 -1.610 4.739 1.00 0.00 N ATOM 474 CA LYS A 31 77.723 -2.877 4.186 1.00 0.00 C ATOM 475 C LYS A 31 78.147 -3.821 5.308 1.00 0.00 C ATOM 476 O LYS A 31 78.747 -3.390 6.293 1.00 0.00 O ATOM 477 CB LYS A 31 78.902 -2.615 3.242 1.00 0.00 C ATOM 478 CG LYS A 31 79.353 -3.916 2.567 1.00 0.00 C ATOM 479 CD LYS A 31 80.456 -3.603 1.556 1.00 0.00 C ATOM 480 CE LYS A 31 80.898 -4.890 0.856 1.00 0.00 C ATOM 481 NZ LYS A 31 81.453 -5.841 1.860 1.00 0.00 N ATOM 0 H LYS A 31 77.950 -0.861 4.716 1.00 0.00 H new ATOM 0 HA LYS A 31 76.911 -3.347 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.613 -1.887 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.732 -2.182 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.718 -4.620 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.509 -4.391 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.095 -2.884 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.305 -3.143 2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.052 -5.344 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 31 81.650 -4.665 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.034 -6.555 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.040 -5.321 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.672 -6.311 2.361 1.00 0.00 H new ATOM 495 N ASP A 32 77.821 -5.106 5.157 1.00 0.00 N ATOM 496 CA ASP A 32 78.170 -6.108 6.158 1.00 0.00 C ATOM 497 C ASP A 32 77.517 -5.791 7.503 1.00 0.00 C ATOM 498 O ASP A 32 77.408 -4.629 7.893 1.00 0.00 O ATOM 499 CB ASP A 32 79.701 -6.193 6.310 1.00 0.00 C ATOM 500 CG ASP A 32 80.310 -6.844 5.071 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.563 -7.421 4.298 1.00 0.00 O ATOM 502 OD2 ASP A 32 81.517 -6.757 4.916 1.00 0.00 O ATOM 0 H ASP A 32 77.316 -5.474 4.351 1.00 0.00 H new ATOM 0 HA ASP A 32 77.793 -7.074 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 32 80.117 -5.195 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.956 -6.772 7.198 1.00 0.00 H new ATOM 507 N GLN A 33 77.077 -6.849 8.190 1.00 0.00 N ATOM 508 CA GLN A 33 76.425 -6.741 9.491 1.00 0.00 C ATOM 509 C GLN A 33 75.074 -6.020 9.385 1.00 0.00 C ATOM 510 O GLN A 33 75.011 -4.833 9.064 1.00 0.00 O ATOM 511 CB GLN A 33 77.338 -6.018 10.485 1.00 0.00 C ATOM 512 CG GLN A 33 78.628 -6.822 10.681 1.00 0.00 C ATOM 513 CD GLN A 33 78.321 -8.168 11.334 1.00 0.00 C ATOM 514 OE1 GLN A 33 77.707 -8.215 12.400 1.00 0.00 O ATOM 515 NE2 GLN A 33 78.714 -9.269 10.755 1.00 0.00 N ATOM 0 H GLN A 33 77.165 -7.808 7.854 1.00 0.00 H new ATOM 0 HA GLN A 33 76.235 -7.751 9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 33 77.573 -5.019 10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 33 76.827 -5.894 11.440 1.00 0.00 H new ATOM 0 HG2 GLN A 33 79.116 -6.980 9.719 1.00 0.00 H new ATOM 0 HG3 GLN A 33 79.324 -6.259 11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 33 79.223 -9.227 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 33 78.513 -10.172 11.185 1.00 0.00 H new ATOM 524 N ASP A 34 73.992 -6.755 9.657 1.00 0.00 N ATOM 525 CA ASP A 34 72.643 -6.200 9.594 1.00 0.00 C ATOM 526 C ASP A 34 71.688 -7.125 10.334 1.00 0.00 C ATOM 527 O ASP A 34 72.125 -8.079 10.970 1.00 0.00 O ATOM 528 CB ASP A 34 72.210 -6.059 8.134 1.00 0.00 C ATOM 529 CG ASP A 34 70.923 -5.245 8.038 1.00 0.00 C ATOM 530 OD1 ASP A 34 70.631 -4.519 8.974 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.251 -5.359 7.027 1.00 0.00 O ATOM 0 H ASP A 34 74.028 -7.739 9.924 1.00 0.00 H new ATOM 0 HA ASP A 34 72.629 -5.215 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 34 72.999 -5.574 7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 34 72.058 -7.045 7.696 1.00 0.00 H new ATOM 536 N LEU A 35 70.382 -6.851 10.260 1.00 0.00 N ATOM 537 CA LEU A 35 69.396 -7.698 10.944 1.00 0.00 C ATOM 538 C LEU A 35 68.173 -7.945 10.067 1.00 0.00 C ATOM 539 O LEU A 35 67.077 -7.476 10.361 1.00 0.00 O ATOM 540 CB LEU A 35 68.960 -7.053 12.262 1.00 0.00 C ATOM 541 CG LEU A 35 70.122 -7.079 13.267 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.771 -6.198 14.475 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.407 -8.526 13.732 1.00 0.00 C ATOM 0 H LEU A 35 69.987 -6.065 9.744 1.00 0.00 H new ATOM 0 HA LEU A 35 69.872 -8.657 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.643 -6.025 12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.102 -7.586 12.671 1.00 0.00 H new ATOM 0 HG LEU A 35 71.018 -6.693 12.782 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.594 -6.215 15.189 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.601 -5.174 14.142 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.868 -6.578 14.953 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.233 -8.524 14.443 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.518 -8.936 14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.672 -9.139 12.871 1.00 0.00 H new ATOM 555 N VAL A 36 68.367 -8.727 9.010 1.00 0.00 N ATOM 556 CA VAL A 36 67.282 -9.092 8.095 1.00 0.00 C ATOM 557 C VAL A 36 67.115 -10.607 8.150 1.00 0.00 C ATOM 558 O VAL A 36 68.094 -11.346 8.052 1.00 0.00 O ATOM 559 CB VAL A 36 67.618 -8.617 6.654 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.143 -8.578 6.473 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.009 -9.576 5.610 1.00 0.00 C ATOM 0 H VAL A 36 69.273 -9.125 8.761 1.00 0.00 H new ATOM 0 HA VAL A 36 66.350 -8.609 8.389 1.00 0.00 H new ATOM 0 HB VAL A 36 67.197 -7.622 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.381 -8.245 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.578 -7.886 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.554 -9.575 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.255 -9.226 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.415 -10.577 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.926 -9.603 5.729 1.00 0.00 H new ATOM 571 N GLU A 37 65.878 -11.065 8.317 1.00 0.00 N ATOM 572 CA GLU A 37 65.606 -12.503 8.392 1.00 0.00 C ATOM 573 C GLU A 37 64.506 -12.899 7.421 1.00 0.00 C ATOM 574 O GLU A 37 63.391 -12.379 7.481 1.00 0.00 O ATOM 575 CB GLU A 37 65.188 -12.889 9.815 1.00 0.00 C ATOM 576 CG GLU A 37 66.356 -12.672 10.789 1.00 0.00 C ATOM 577 CD GLU A 37 66.433 -11.207 11.209 1.00 0.00 C ATOM 578 OE1 GLU A 37 65.672 -10.415 10.679 1.00 0.00 O ATOM 579 OE2 GLU A 37 67.252 -10.901 12.062 1.00 0.00 O ATOM 0 H GLU A 37 65.053 -10.471 8.403 1.00 0.00 H new ATOM 0 HA GLU A 37 66.520 -13.032 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.331 -12.291 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.874 -13.933 9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.226 -13.303 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 37 67.292 -12.971 10.317 1.00 0.00 H new ATOM 586 N VAL A 38 64.822 -13.843 6.535 1.00 0.00 N ATOM 587 CA VAL A 38 63.857 -14.334 5.556 1.00 0.00 C ATOM 588 C VAL A 38 63.535 -15.796 5.857 1.00 0.00 C ATOM 589 O VAL A 38 64.436 -16.608 6.091 1.00 0.00 O ATOM 590 CB VAL A 38 64.418 -14.184 4.134 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.898 -12.743 3.915 1.00 0.00 C ATOM 592 CG2 VAL A 38 65.589 -15.143 3.905 1.00 0.00 C ATOM 0 H VAL A 38 65.741 -14.283 6.476 1.00 0.00 H new ATOM 0 HA VAL A 38 62.941 -13.746 5.621 1.00 0.00 H new ATOM 0 HB VAL A 38 63.623 -14.424 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.295 -12.641 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.061 -12.057 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.679 -12.506 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 38 65.969 -15.018 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.383 -14.925 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 38 65.250 -16.170 4.041 1.00 0.00 H new ATOM 602 N MET A 39 62.242 -16.118 5.881 1.00 0.00 N ATOM 603 CA MET A 39 61.797 -17.481 6.178 1.00 0.00 C ATOM 604 C MET A 39 61.463 -18.229 4.894 1.00 0.00 C ATOM 605 O MET A 39 60.612 -17.800 4.116 1.00 0.00 O ATOM 606 CB MET A 39 60.562 -17.438 7.080 1.00 0.00 C ATOM 607 CG MET A 39 60.170 -18.861 7.484 1.00 0.00 C ATOM 608 SD MET A 39 58.805 -18.792 8.672 1.00 0.00 S ATOM 609 CE MET A 39 57.541 -18.151 7.544 1.00 0.00 C ATOM 0 H MET A 39 61.486 -15.457 5.699 1.00 0.00 H new ATOM 0 HA MET A 39 62.605 -18.004 6.688 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.769 -16.841 7.968 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.735 -16.957 6.558 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.873 -19.432 6.604 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.025 -19.375 7.924 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.579 -18.607 7.778 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.467 -17.069 7.658 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.815 -18.390 6.517 1.00 0.00 H new ATOM 619 N THR A 40 62.148 -19.349 4.681 1.00 0.00 N ATOM 620 CA THR A 40 61.936 -20.170 3.487 1.00 0.00 C ATOM 621 C THR A 40 60.972 -21.313 3.796 1.00 0.00 C ATOM 622 O THR A 40 59.765 -21.195 3.588 1.00 0.00 O ATOM 623 CB THR A 40 63.282 -20.740 2.993 1.00 0.00 C ATOM 624 OG1 THR A 40 63.081 -22.047 2.473 1.00 0.00 O ATOM 625 CG2 THR A 40 64.274 -20.810 4.157 1.00 0.00 C ATOM 0 H THR A 40 62.856 -19.711 5.319 1.00 0.00 H new ATOM 0 HA THR A 40 61.504 -19.545 2.705 1.00 0.00 H new ATOM 0 HB THR A 40 63.681 -20.090 2.214 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.936 -22.409 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.223 -21.213 3.803 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.433 -19.810 4.560 1.00 0.00 H new ATOM 0 HG23 THR A 40 63.874 -21.457 4.938 1.00 0.00 H new ATOM 633 N ASP A 41 61.512 -22.419 4.300 1.00 0.00 N ATOM 634 CA ASP A 41 60.686 -23.588 4.645 1.00 0.00 C ATOM 635 C ASP A 41 60.444 -23.637 6.155 1.00 0.00 C ATOM 636 O ASP A 41 60.658 -24.671 6.786 1.00 0.00 O ATOM 637 CB ASP A 41 61.388 -24.875 4.202 1.00 0.00 C ATOM 638 CG ASP A 41 61.334 -25.003 2.683 1.00 0.00 C ATOM 639 OD1 ASP A 41 60.547 -24.296 2.074 1.00 0.00 O ATOM 640 OD2 ASP A 41 62.079 -25.809 2.149 1.00 0.00 O ATOM 0 H ASP A 41 62.509 -22.537 4.480 1.00 0.00 H new ATOM 0 HA ASP A 41 59.729 -23.501 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 41 62.425 -24.867 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.909 -25.738 4.665 1.00 0.00 H new ATOM 645 N LYS A 42 60.007 -22.511 6.728 1.00 0.00 N ATOM 646 CA LYS A 42 59.751 -22.437 8.167 1.00 0.00 C ATOM 647 C LYS A 42 61.070 -22.413 8.940 1.00 0.00 C ATOM 648 O LYS A 42 61.138 -22.849 10.088 1.00 0.00 O ATOM 649 CB LYS A 42 58.895 -23.636 8.630 1.00 0.00 C ATOM 650 CG LYS A 42 58.149 -23.282 9.924 1.00 0.00 C ATOM 651 CD LYS A 42 57.190 -24.418 10.285 1.00 0.00 C ATOM 652 CE LYS A 42 56.413 -24.043 11.549 1.00 0.00 C ATOM 653 NZ LYS A 42 57.357 -23.973 12.701 1.00 0.00 N ATOM 0 H LYS A 42 59.825 -21.645 6.221 1.00 0.00 H new ATOM 0 HA LYS A 42 59.203 -21.517 8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.181 -23.906 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.531 -24.506 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.860 -23.120 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.596 -22.352 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.500 -24.602 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.746 -25.341 10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.915 -23.083 11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.635 -24.781 11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.822 -24.024 13.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 58.024 -24.769 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 57.884 -23.077 12.664 1.00 0.00 H new ATOM 667 N VAL A 43 62.114 -21.888 8.298 1.00 0.00 N ATOM 668 CA VAL A 43 63.438 -21.790 8.914 1.00 0.00 C ATOM 669 C VAL A 43 63.941 -20.357 8.814 1.00 0.00 C ATOM 670 O VAL A 43 63.787 -19.710 7.780 1.00 0.00 O ATOM 671 CB VAL A 43 64.417 -22.723 8.206 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.787 -22.646 8.879 1.00 0.00 C ATOM 673 CG2 VAL A 43 63.887 -24.157 8.269 1.00 0.00 C ATOM 0 H VAL A 43 62.068 -21.522 7.347 1.00 0.00 H new ATOM 0 HA VAL A 43 63.364 -22.080 9.962 1.00 0.00 H new ATOM 0 HB VAL A 43 64.518 -22.419 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.481 -23.314 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.162 -21.624 8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.697 -22.945 9.923 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.585 -24.825 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 43 63.783 -24.461 9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.915 -24.208 7.777 1.00 0.00 H new ATOM 683 N THR A 44 64.532 -19.862 9.893 1.00 0.00 N ATOM 684 CA THR A 44 65.042 -18.487 9.912 1.00 0.00 C ATOM 685 C THR A 44 66.523 -18.471 9.544 1.00 0.00 C ATOM 686 O THR A 44 67.356 -19.034 10.252 1.00 0.00 O ATOM 687 CB THR A 44 64.865 -17.888 11.315 1.00 0.00 C ATOM 688 OG1 THR A 44 63.610 -18.290 11.844 1.00 0.00 O ATOM 689 CG2 THR A 44 64.913 -16.358 11.255 1.00 0.00 C ATOM 0 H THR A 44 64.672 -20.381 10.760 1.00 0.00 H new ATOM 0 HA THR A 44 64.483 -17.896 9.186 1.00 0.00 H new ATOM 0 HB THR A 44 65.674 -18.245 11.952 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.496 -17.910 12.740 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.786 -15.950 12.258 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.875 -16.040 10.853 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.112 -15.994 10.611 1.00 0.00 H new ATOM 697 N VAL A 45 66.838 -17.812 8.432 1.00 0.00 N ATOM 698 CA VAL A 45 68.224 -17.709 7.959 1.00 0.00 C ATOM 699 C VAL A 45 68.624 -16.245 7.785 1.00 0.00 C ATOM 700 O VAL A 45 67.898 -15.456 7.177 1.00 0.00 O ATOM 701 CB VAL A 45 68.383 -18.455 6.630 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.190 -19.952 6.873 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.329 -17.966 5.634 1.00 0.00 C ATOM 0 H VAL A 45 66.156 -17.340 7.839 1.00 0.00 H new ATOM 0 HA VAL A 45 68.878 -18.163 8.704 1.00 0.00 H new ATOM 0 HB VAL A 45 69.377 -18.268 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.301 -20.491 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.937 -20.305 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.193 -20.130 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.445 -18.499 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.333 -18.154 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.456 -16.897 5.465 1.00 0.00 H new ATOM 713 N LYS A 46 69.787 -15.896 8.337 1.00 0.00 N ATOM 714 CA LYS A 46 70.302 -14.528 8.258 1.00 0.00 C ATOM 715 C LYS A 46 71.168 -14.351 7.012 1.00 0.00 C ATOM 716 O LYS A 46 71.949 -15.236 6.663 1.00 0.00 O ATOM 717 CB LYS A 46 71.132 -14.221 9.505 1.00 0.00 C ATOM 718 CG LYS A 46 71.585 -12.763 9.475 1.00 0.00 C ATOM 719 CD LYS A 46 72.367 -12.446 10.748 1.00 0.00 C ATOM 720 CE LYS A 46 72.789 -10.980 10.722 1.00 0.00 C ATOM 721 NZ LYS A 46 73.508 -10.641 11.982 1.00 0.00 N ATOM 0 H LYS A 46 70.391 -16.543 8.844 1.00 0.00 H new ATOM 0 HA LYS A 46 69.458 -13.840 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.542 -14.410 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.999 -14.880 9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.208 -12.583 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.721 -12.104 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.753 -12.645 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.244 -13.089 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.433 -10.792 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.913 -10.341 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.353 -9.639 12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.148 -11.233 12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 74.526 -10.814 11.858 1.00 0.00 H new ATOM 735 N ILE A 47 71.022 -13.202 6.343 1.00 0.00 N ATOM 736 CA ILE A 47 71.798 -12.916 5.126 1.00 0.00 C ATOM 737 C ILE A 47 72.387 -11.488 5.188 1.00 0.00 C ATOM 738 O ILE A 47 71.685 -10.560 5.590 1.00 0.00 O ATOM 739 CB ILE A 47 70.877 -13.045 3.902 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.256 -14.444 3.885 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.674 -12.839 2.610 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.208 -14.531 2.776 1.00 0.00 C ATOM 0 H ILE A 47 70.380 -12.459 6.619 1.00 0.00 H new ATOM 0 HA ILE A 47 72.620 -13.628 5.048 1.00 0.00 H new ATOM 0 HB ILE A 47 70.098 -12.286 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.031 -15.194 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 47 69.797 -14.660 4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.008 -12.933 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.122 -11.845 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.460 -13.591 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 47 68.769 -15.529 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.427 -13.792 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 47 69.680 -14.334 1.813 1.00 0.00 H new ATOM 754 N PRO A 48 73.640 -11.274 4.796 1.00 0.00 N ATOM 755 CA PRO A 48 74.256 -9.903 4.826 1.00 0.00 C ATOM 756 C PRO A 48 73.400 -8.849 4.111 1.00 0.00 C ATOM 757 O PRO A 48 72.802 -9.119 3.070 1.00 0.00 O ATOM 758 CB PRO A 48 75.611 -10.086 4.109 1.00 0.00 C ATOM 759 CG PRO A 48 75.940 -11.537 4.248 1.00 0.00 C ATOM 760 CD PRO A 48 74.606 -12.283 4.306 1.00 0.00 C ATOM 0 HA PRO A 48 74.353 -9.534 5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.543 -9.797 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.382 -9.463 4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.540 -11.881 3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.524 -11.717 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.320 -12.663 3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.659 -13.141 4.977 1.00 0.00 H new ATOM 768 N SER A 49 73.345 -7.652 4.698 1.00 0.00 N ATOM 769 CA SER A 49 72.560 -6.553 4.138 1.00 0.00 C ATOM 770 C SER A 49 72.693 -6.498 2.607 1.00 0.00 C ATOM 771 O SER A 49 73.576 -7.134 2.031 1.00 0.00 O ATOM 772 CB SER A 49 73.015 -5.227 4.777 1.00 0.00 C ATOM 773 OG SER A 49 71.944 -4.685 5.537 1.00 0.00 O ATOM 0 H SER A 49 73.836 -7.420 5.562 1.00 0.00 H new ATOM 0 HA SER A 49 71.507 -6.719 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.882 -5.396 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.321 -4.523 4.004 1.00 0.00 H new ATOM 0 HG SER A 49 71.251 -5.367 5.659 1.00 0.00 H new ATOM 779 N PRO A 50 71.828 -5.755 1.954 1.00 0.00 N ATOM 780 CA PRO A 50 71.833 -5.614 0.464 1.00 0.00 C ATOM 781 C PRO A 50 72.865 -4.592 -0.044 1.00 0.00 C ATOM 782 O PRO A 50 72.573 -3.814 -0.952 1.00 0.00 O ATOM 783 CB PRO A 50 70.406 -5.136 0.179 1.00 0.00 C ATOM 784 CG PRO A 50 70.065 -4.290 1.360 1.00 0.00 C ATOM 785 CD PRO A 50 70.738 -4.962 2.563 1.00 0.00 C ATOM 0 HA PRO A 50 72.111 -6.540 -0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.354 -4.566 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.717 -5.975 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.427 -3.270 1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.986 -4.229 1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 50 71.124 -4.227 3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 50 70.040 -5.595 3.111 1.00 0.00 H new ATOM 793 N VAL A 51 74.074 -4.610 0.525 1.00 0.00 N ATOM 794 CA VAL A 51 75.134 -3.685 0.089 1.00 0.00 C ATOM 795 C VAL A 51 74.723 -2.224 0.331 1.00 0.00 C ATOM 796 O VAL A 51 73.725 -1.752 -0.219 1.00 0.00 O ATOM 797 CB VAL A 51 75.421 -3.915 -1.403 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.760 -3.279 -1.785 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.476 -5.423 -1.674 1.00 0.00 C ATOM 0 H VAL A 51 74.345 -5.243 1.278 1.00 0.00 H new ATOM 0 HA VAL A 51 76.035 -3.880 0.671 1.00 0.00 H new ATOM 0 HB VAL A 51 74.630 -3.458 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.954 -3.448 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.723 -2.207 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.558 -3.728 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.679 -5.596 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.268 -5.872 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.520 -5.875 -1.410 1.00 0.00 H new ATOM 809 N ARG A 52 75.490 -1.516 1.169 1.00 0.00 N ATOM 810 CA ARG A 52 75.199 -0.120 1.494 1.00 0.00 C ATOM 811 C ARG A 52 74.829 0.685 0.251 1.00 0.00 C ATOM 812 O ARG A 52 75.297 0.397 -0.852 1.00 0.00 O ATOM 813 CB ARG A 52 76.419 0.517 2.182 1.00 0.00 C ATOM 814 CG ARG A 52 77.589 0.657 1.199 1.00 0.00 C ATOM 815 CD ARG A 52 78.788 1.251 1.942 1.00 0.00 C ATOM 816 NE ARG A 52 79.907 1.480 1.028 1.00 0.00 N ATOM 817 CZ ARG A 52 80.798 0.526 0.771 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.685 -0.644 1.330 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.793 0.764 -0.040 1.00 0.00 N ATOM 0 H ARG A 52 76.317 -1.890 1.633 1.00 0.00 H new ATOM 0 HA ARG A 52 74.342 -0.105 2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.149 1.497 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.723 -0.094 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.848 -0.315 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.306 1.299 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.500 2.191 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.097 0.576 2.740 1.00 0.00 H new ATOM 0 HE ARG A 52 80.006 2.390 0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 52 79.911 -0.832 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.370 -1.373 1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.887 1.681 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.476 0.033 -0.237 1.00 0.00 H new ATOM 833 N GLY A 53 73.995 1.706 0.438 1.00 0.00 N ATOM 834 CA GLY A 53 73.583 2.554 -0.672 1.00 0.00 C ATOM 835 C GLY A 53 72.339 3.369 -0.320 1.00 0.00 C ATOM 836 O GLY A 53 72.160 3.771 0.830 1.00 0.00 O ATOM 0 H GLY A 53 73.596 1.963 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.397 3.227 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.380 1.937 -1.547 1.00 0.00 H new ATOM 840 N LYS A 54 71.482 3.615 -1.319 1.00 0.00 N ATOM 841 CA LYS A 54 70.256 4.393 -1.108 1.00 0.00 C ATOM 842 C LYS A 54 69.025 3.539 -1.410 1.00 0.00 C ATOM 843 O LYS A 54 68.952 2.879 -2.447 1.00 0.00 O ATOM 844 CB LYS A 54 70.278 5.617 -2.033 1.00 0.00 C ATOM 845 CG LYS A 54 69.084 6.528 -1.733 1.00 0.00 C ATOM 846 CD LYS A 54 69.186 7.785 -2.601 1.00 0.00 C ATOM 847 CE LYS A 54 68.011 8.721 -2.307 1.00 0.00 C ATOM 848 NZ LYS A 54 68.294 9.484 -1.060 1.00 0.00 N ATOM 0 H LYS A 54 71.614 3.288 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 54 70.207 4.714 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.208 6.168 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.247 5.296 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.150 6.004 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.073 6.799 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.128 8.297 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.187 7.510 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.859 9.407 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 54 67.092 8.146 -2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.499 10.122 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 68.419 8.821 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 69.162 10.042 -1.184 1.00 0.00 H new ATOM 862 N ILE A 55 68.056 3.558 -0.491 1.00 0.00 N ATOM 863 CA ILE A 55 66.823 2.785 -0.655 1.00 0.00 C ATOM 864 C ILE A 55 65.739 3.700 -1.232 1.00 0.00 C ATOM 865 O ILE A 55 65.396 4.719 -0.633 1.00 0.00 O ATOM 866 CB ILE A 55 66.389 2.241 0.719 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.628 1.762 1.495 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.426 1.064 0.540 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.447 0.782 0.652 1.00 0.00 C ATOM 0 H ILE A 55 68.102 4.099 0.372 1.00 0.00 H new ATOM 0 HA ILE A 55 66.983 1.948 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 55 65.888 3.036 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.245 2.618 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.319 1.281 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.126 0.687 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.544 1.396 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.922 0.270 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.319 0.455 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.833 -0.083 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.773 1.275 -0.264 1.00 0.00 H new ATOM 881 N VAL A 56 65.233 3.357 -2.422 1.00 0.00 N ATOM 882 CA VAL A 56 64.226 4.192 -3.091 1.00 0.00 C ATOM 883 C VAL A 56 62.785 3.795 -2.738 1.00 0.00 C ATOM 884 O VAL A 56 61.986 4.654 -2.366 1.00 0.00 O ATOM 885 CB VAL A 56 64.430 4.109 -4.618 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.205 4.661 -5.363 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.668 4.921 -5.016 1.00 0.00 C ATOM 0 H VAL A 56 65.499 2.518 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 56 64.366 5.214 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 56 64.566 3.062 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.372 4.592 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.323 4.079 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.050 5.704 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.811 4.861 -6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.529 5.962 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.546 4.517 -4.511 1.00 0.00 H new ATOM 897 N LYS A 57 62.430 2.517 -2.890 1.00 0.00 N ATOM 898 CA LYS A 57 61.047 2.102 -2.614 1.00 0.00 C ATOM 899 C LYS A 57 60.966 0.656 -2.138 1.00 0.00 C ATOM 900 O LYS A 57 61.855 -0.151 -2.401 1.00 0.00 O ATOM 901 CB LYS A 57 60.209 2.274 -3.885 1.00 0.00 C ATOM 902 CG LYS A 57 58.726 2.070 -3.572 1.00 0.00 C ATOM 903 CD LYS A 57 57.899 2.380 -4.823 1.00 0.00 C ATOM 904 CE LYS A 57 56.410 2.210 -4.508 1.00 0.00 C ATOM 905 NZ LYS A 57 56.131 0.777 -4.206 1.00 0.00 N ATOM 0 H LYS A 57 63.056 1.770 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 57 60.660 2.731 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.367 3.269 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.530 1.558 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.548 1.044 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.423 2.720 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.096 3.398 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.188 1.714 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.133 2.833 -3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 57 55.807 2.539 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.330 0.450 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.972 0.206 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.897 0.674 -3.198 1.00 0.00 H new ATOM 919 N ILE A 58 59.880 0.345 -1.427 1.00 0.00 N ATOM 920 CA ILE A 58 59.654 -0.994 -0.890 1.00 0.00 C ATOM 921 C ILE A 58 58.388 -1.616 -1.495 1.00 0.00 C ATOM 922 O ILE A 58 57.301 -1.046 -1.408 1.00 0.00 O ATOM 923 CB ILE A 58 59.521 -0.869 0.637 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.765 -2.230 1.298 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.123 -0.350 1.010 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.310 -2.198 2.765 1.00 0.00 C ATOM 0 H ILE A 58 59.138 1.011 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 58 60.488 -1.648 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 58 60.267 -0.159 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.223 -3.007 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.824 -2.484 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.043 -0.266 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.966 0.629 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.367 -1.044 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.489 -3.171 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.872 -1.435 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.246 -1.966 2.811 1.00 0.00 H new ATOM 938 N LEU A 59 58.543 -2.789 -2.113 1.00 0.00 N ATOM 939 CA LEU A 59 57.415 -3.489 -2.737 1.00 0.00 C ATOM 940 C LEU A 59 56.912 -4.630 -1.848 1.00 0.00 C ATOM 941 O LEU A 59 55.805 -5.131 -2.043 1.00 0.00 O ATOM 942 CB LEU A 59 57.843 -4.052 -4.096 1.00 0.00 C ATOM 943 CG LEU A 59 58.148 -2.906 -5.075 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.880 -3.473 -6.296 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.844 -2.224 -5.533 1.00 0.00 C ATOM 0 H LEU A 59 59.436 -3.274 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 59 56.604 -2.773 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.725 -4.681 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.053 -4.685 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 59 58.771 -2.166 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.100 -2.666 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.811 -3.941 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.250 -4.216 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.080 -1.416 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.207 -2.955 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.322 -1.819 -4.666 1.00 0.00 H new ATOM 957 N TYR A 60 57.732 -5.037 -0.879 1.00 0.00 N ATOM 958 CA TYR A 60 57.369 -6.130 0.033 1.00 0.00 C ATOM 959 C TYR A 60 57.029 -5.598 1.423 1.00 0.00 C ATOM 960 O TYR A 60 57.659 -4.665 1.918 1.00 0.00 O ATOM 961 CB TYR A 60 58.532 -7.135 0.123 1.00 0.00 C ATOM 962 CG TYR A 60 58.507 -8.042 -1.097 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.741 -7.504 -2.371 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.240 -9.420 -0.963 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.704 -8.329 -3.500 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.209 -10.240 -2.097 1.00 0.00 C ATOM 967 CZ TYR A 60 58.438 -9.696 -3.364 1.00 0.00 C ATOM 968 OH TYR A 60 58.399 -10.503 -4.482 1.00 0.00 O ATOM 0 H TYR A 60 58.650 -4.630 -0.703 1.00 0.00 H new ATOM 0 HA TYR A 60 56.484 -6.629 -0.362 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.483 -6.605 0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.446 -7.728 1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.950 -6.450 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.059 -9.843 0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.881 -7.910 -4.479 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.008 -11.296 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 60 58.099 -9.979 -5.254 1.00 0.00 H new ATOM 978 N ARG A 61 56.018 -6.218 2.041 1.00 0.00 N ATOM 979 CA ARG A 61 55.566 -5.835 3.379 1.00 0.00 C ATOM 980 C ARG A 61 55.651 -7.029 4.326 1.00 0.00 C ATOM 981 O ARG A 61 55.874 -8.161 3.897 1.00 0.00 O ATOM 982 CB ARG A 61 54.119 -5.339 3.321 1.00 0.00 C ATOM 983 CG ARG A 61 54.047 -4.065 2.479 1.00 0.00 C ATOM 984 CD ARG A 61 52.591 -3.613 2.363 1.00 0.00 C ATOM 985 NE ARG A 61 52.080 -3.246 3.681 1.00 0.00 N ATOM 986 CZ ARG A 61 52.278 -2.030 4.185 1.00 0.00 C ATOM 987 NH1 ARG A 61 52.923 -1.135 3.489 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.820 -1.733 5.370 1.00 0.00 N ATOM 0 H ARG A 61 55.495 -6.992 1.631 1.00 0.00 H new ATOM 0 HA ARG A 61 56.210 -5.036 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.477 -6.108 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.751 -5.143 4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.648 -3.279 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.463 -4.247 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.518 -2.763 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 61 51.985 -4.413 1.938 1.00 0.00 H new ATOM 0 HE ARG A 61 51.561 -3.935 4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 61 53.275 -1.367 2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 61 53.076 -0.203 3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 61 51.310 -2.432 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.972 -0.801 5.757 1.00 0.00 H new ATOM 1002 N GLU A 62 55.488 -6.756 5.613 1.00 0.00 N ATOM 1003 CA GLU A 62 55.565 -7.800 6.635 1.00 0.00 C ATOM 1004 C GLU A 62 54.494 -8.871 6.435 1.00 0.00 C ATOM 1005 O GLU A 62 53.322 -8.563 6.217 1.00 0.00 O ATOM 1006 CB GLU A 62 55.391 -7.178 8.026 1.00 0.00 C ATOM 1007 CG GLU A 62 56.590 -6.287 8.349 1.00 0.00 C ATOM 1008 CD GLU A 62 56.375 -5.583 9.685 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.385 -5.878 10.335 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.200 -4.756 10.034 1.00 0.00 O ATOM 0 H GLU A 62 55.302 -5.822 5.978 1.00 0.00 H new ATOM 0 HA GLU A 62 56.544 -8.272 6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.472 -6.593 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.297 -7.963 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.499 -6.887 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.728 -5.549 7.558 1.00 0.00 H new ATOM 1017 N GLY A 63 54.909 -10.132 6.544 1.00 0.00 N ATOM 1018 CA GLY A 63 53.979 -11.259 6.411 1.00 0.00 C ATOM 1019 C GLY A 63 53.680 -11.608 4.954 1.00 0.00 C ATOM 1020 O GLY A 63 52.841 -12.468 4.685 1.00 0.00 O ATOM 0 H GLY A 63 55.876 -10.401 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.399 -12.132 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.047 -11.017 6.921 1.00 0.00 H new ATOM 1024 N GLN A 64 54.349 -10.946 4.014 1.00 0.00 N ATOM 1025 CA GLN A 64 54.107 -11.218 2.598 1.00 0.00 C ATOM 1026 C GLN A 64 54.906 -12.432 2.132 1.00 0.00 C ATOM 1027 O GLN A 64 56.088 -12.561 2.443 1.00 0.00 O ATOM 1028 CB GLN A 64 54.510 -10.008 1.753 1.00 0.00 C ATOM 1029 CG GLN A 64 54.047 -10.217 0.309 1.00 0.00 C ATOM 1030 CD GLN A 64 54.497 -9.048 -0.559 1.00 0.00 C ATOM 1031 OE1 GLN A 64 55.696 -8.808 -0.702 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.604 -8.297 -1.144 1.00 0.00 N ATOM 0 H GLN A 64 55.051 -10.230 4.200 1.00 0.00 H new ATOM 0 HA GLN A 64 53.043 -11.421 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.064 -9.101 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.591 -9.873 1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.456 -11.149 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 64 52.961 -10.308 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.611 -8.498 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.899 -7.509 -1.721 1.00 0.00 H new ATOM 1041 N VAL A 65 54.248 -13.309 1.369 1.00 0.00 N ATOM 1042 CA VAL A 65 54.888 -14.515 0.829 1.00 0.00 C ATOM 1043 C VAL A 65 54.670 -14.558 -0.683 1.00 0.00 C ATOM 1044 O VAL A 65 53.550 -14.356 -1.154 1.00 0.00 O ATOM 1045 CB VAL A 65 54.276 -15.767 1.473 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.749 -15.711 1.367 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.791 -17.021 0.762 1.00 0.00 C ATOM 0 H VAL A 65 53.267 -13.207 1.109 1.00 0.00 H new ATOM 0 HA VAL A 65 55.955 -14.491 1.050 1.00 0.00 H new ATOM 0 HB VAL A 65 54.565 -15.803 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.320 -16.602 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.381 -14.824 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.459 -15.667 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.353 -17.906 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.510 -16.984 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.877 -17.067 0.846 1.00 0.00 H new ATOM 1057 N VAL A 66 55.740 -14.805 -1.443 1.00 0.00 N ATOM 1058 CA VAL A 66 55.639 -14.844 -2.909 1.00 0.00 C ATOM 1059 C VAL A 66 56.627 -15.866 -3.506 1.00 0.00 C ATOM 1060 O VAL A 66 57.764 -15.950 -3.039 1.00 0.00 O ATOM 1061 CB VAL A 66 55.976 -13.451 -3.459 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.481 -13.314 -4.900 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.313 -12.381 -2.590 1.00 0.00 C ATOM 0 H VAL A 66 56.676 -14.979 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 66 54.626 -15.139 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 66 57.058 -13.320 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.727 -12.321 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 66 55.962 -14.068 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.401 -13.455 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.554 -11.393 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.232 -12.522 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.680 -12.464 -1.567 1.00 0.00 H new ATOM 1073 N PRO A 67 56.258 -16.626 -4.534 1.00 0.00 N ATOM 1074 CA PRO A 67 57.207 -17.599 -5.167 1.00 0.00 C ATOM 1075 C PRO A 67 58.507 -16.925 -5.630 1.00 0.00 C ATOM 1076 O PRO A 67 58.510 -15.754 -6.010 1.00 0.00 O ATOM 1077 CB PRO A 67 56.435 -18.165 -6.373 1.00 0.00 C ATOM 1078 CG PRO A 67 54.989 -17.910 -6.087 1.00 0.00 C ATOM 1079 CD PRO A 67 54.924 -16.676 -5.181 1.00 0.00 C ATOM 0 HA PRO A 67 57.515 -18.369 -4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.743 -17.677 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.627 -19.231 -6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.437 -17.740 -7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.534 -18.772 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.726 -15.771 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.127 -16.766 -4.443 1.00 0.00 H new ATOM 1087 N VAL A 68 59.602 -17.680 -5.595 1.00 0.00 N ATOM 1088 CA VAL A 68 60.904 -17.153 -6.013 1.00 0.00 C ATOM 1089 C VAL A 68 60.859 -16.649 -7.452 1.00 0.00 C ATOM 1090 O VAL A 68 60.371 -17.337 -8.350 1.00 0.00 O ATOM 1091 CB VAL A 68 61.969 -18.257 -5.899 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.724 -19.325 -6.972 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.365 -17.659 -6.103 1.00 0.00 C ATOM 0 H VAL A 68 59.617 -18.651 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 68 61.156 -16.318 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 68 61.905 -18.707 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.480 -20.105 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.735 -19.762 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.782 -18.868 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.114 -18.447 -6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.425 -17.203 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.551 -16.901 -5.342 1.00 0.00 H new ATOM 1103 N GLY A 69 61.391 -15.445 -7.670 1.00 0.00 N ATOM 1104 CA GLY A 69 61.432 -14.852 -9.011 1.00 0.00 C ATOM 1105 C GLY A 69 60.886 -13.428 -9.016 1.00 0.00 C ATOM 1106 O GLY A 69 60.009 -13.103 -9.817 1.00 0.00 O ATOM 0 H GLY A 69 61.799 -14.862 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.459 -14.849 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.851 -15.467 -9.698 1.00 0.00 H new ATOM 1110 N SER A 70 61.394 -12.571 -8.127 1.00 0.00 N ATOM 1111 CA SER A 70 60.916 -11.188 -8.083 1.00 0.00 C ATOM 1112 C SER A 70 61.922 -10.268 -7.404 1.00 0.00 C ATOM 1113 O SER A 70 62.833 -10.721 -6.711 1.00 0.00 O ATOM 1114 CB SER A 70 59.582 -11.121 -7.347 1.00 0.00 C ATOM 1115 OG SER A 70 59.708 -11.742 -6.075 1.00 0.00 O ATOM 0 H SER A 70 62.117 -12.801 -7.445 1.00 0.00 H new ATOM 0 HA SER A 70 60.787 -10.849 -9.111 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.273 -10.083 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 70 58.808 -11.619 -7.931 1.00 0.00 H new ATOM 0 HG SER A 70 59.020 -11.393 -5.471 1.00 0.00 H new ATOM 1121 N THR A 71 61.747 -8.965 -7.619 1.00 0.00 N ATOM 1122 CA THR A 71 62.635 -7.960 -7.037 1.00 0.00 C ATOM 1123 C THR A 71 62.067 -7.461 -5.711 1.00 0.00 C ATOM 1124 O THR A 71 61.061 -6.752 -5.682 1.00 0.00 O ATOM 1125 CB THR A 71 62.776 -6.790 -8.015 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.473 -7.226 -9.173 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.550 -5.644 -7.362 1.00 0.00 C ATOM 0 H THR A 71 60.997 -8.580 -8.193 1.00 0.00 H new ATOM 0 HA THR A 71 63.613 -8.405 -6.852 1.00 0.00 H new ATOM 0 HB THR A 71 61.782 -6.437 -8.290 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.563 -6.479 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.643 -4.819 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.016 -5.304 -6.475 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.543 -5.991 -7.077 1.00 0.00 H new ATOM 1135 N LEU A 72 62.718 -7.838 -4.617 1.00 0.00 N ATOM 1136 CA LEU A 72 62.261 -7.428 -3.289 1.00 0.00 C ATOM 1137 C LEU A 72 62.336 -5.912 -3.117 1.00 0.00 C ATOM 1138 O LEU A 72 61.407 -5.284 -2.608 1.00 0.00 O ATOM 1139 CB LEU A 72 63.153 -8.065 -2.223 1.00 0.00 C ATOM 1140 CG LEU A 72 62.975 -9.590 -2.201 1.00 0.00 C ATOM 1141 CD1 LEU A 72 63.999 -10.199 -1.229 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.545 -9.957 -1.759 1.00 0.00 C ATOM 0 H LEU A 72 63.555 -8.421 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 72 61.226 -7.752 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.196 -7.819 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.909 -7.652 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 72 63.137 -9.988 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.880 -11.282 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.007 -9.951 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.837 -9.796 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.434 -11.041 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.361 -9.564 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.827 -9.526 -2.456 1.00 0.00 H new ATOM 1154 N LEU A 73 63.461 -5.342 -3.525 1.00 0.00 N ATOM 1155 CA LEU A 73 63.687 -3.905 -3.393 1.00 0.00 C ATOM 1156 C LEU A 73 64.654 -3.438 -4.483 1.00 0.00 C ATOM 1157 O LEU A 73 65.565 -4.175 -4.864 1.00 0.00 O ATOM 1158 CB LEU A 73 64.288 -3.634 -1.998 1.00 0.00 C ATOM 1159 CG LEU A 73 63.971 -2.213 -1.502 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.475 -2.083 -0.056 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.649 -1.152 -2.397 1.00 0.00 C ATOM 0 H LEU A 73 64.235 -5.852 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 73 62.749 -3.361 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.897 -4.362 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.368 -3.773 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 73 62.895 -2.044 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.260 -1.081 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.972 -2.819 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.551 -2.257 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.409 -0.156 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.729 -1.296 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.287 -1.254 -3.420 1.00 0.00 H new ATOM 1173 N GLN A 74 64.474 -2.215 -4.970 1.00 0.00 N ATOM 1174 CA GLN A 74 65.363 -1.672 -6.005 1.00 0.00 C ATOM 1175 C GLN A 74 66.337 -0.693 -5.364 1.00 0.00 C ATOM 1176 O GLN A 74 65.936 0.180 -4.596 1.00 0.00 O ATOM 1177 CB GLN A 74 64.545 -0.957 -7.081 1.00 0.00 C ATOM 1178 CG GLN A 74 65.455 -0.590 -8.253 1.00 0.00 C ATOM 1179 CD GLN A 74 64.649 0.109 -9.343 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.856 1.004 -9.053 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.795 -0.260 -10.587 1.00 0.00 N ATOM 0 H GLN A 74 63.731 -1.583 -4.673 1.00 0.00 H new ATOM 0 HA GLN A 74 65.915 -2.489 -6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.734 -1.600 -7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.087 -0.059 -6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.259 0.062 -7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.923 -1.488 -8.655 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.453 -1.002 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.251 0.194 -11.321 1.00 0.00 H new ATOM 1190 N ILE A 75 67.628 -0.870 -5.656 1.00 0.00 N ATOM 1191 CA ILE A 75 68.667 -0.018 -5.074 1.00 0.00 C ATOM 1192 C ILE A 75 69.530 0.618 -6.153 1.00 0.00 C ATOM 1193 O ILE A 75 70.076 -0.067 -7.018 1.00 0.00 O ATOM 1194 CB ILE A 75 69.543 -0.870 -4.149 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.711 -1.373 -2.965 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.710 -0.047 -3.615 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.486 -2.470 -2.233 1.00 0.00 C ATOM 0 H ILE A 75 67.977 -1.591 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 75 68.188 0.784 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 75 69.927 -1.715 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.492 -0.550 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.754 -1.760 -3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.322 -0.666 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.316 0.309 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.327 0.806 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.897 -2.831 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.683 -3.295 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.431 -2.067 -1.870 1.00 0.00 H new ATOM 1209 N ASP A 76 69.661 1.939 -6.077 1.00 0.00 N ATOM 1210 CA ASP A 76 70.477 2.680 -7.040 1.00 0.00 C ATOM 1211 C ASP A 76 71.902 2.825 -6.519 1.00 0.00 C ATOM 1212 O ASP A 76 72.114 3.114 -5.342 1.00 0.00 O ATOM 1213 CB ASP A 76 69.878 4.069 -7.273 1.00 0.00 C ATOM 1214 CG ASP A 76 68.528 3.932 -7.968 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.260 2.860 -8.486 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.781 4.897 -7.973 1.00 0.00 O ATOM 0 H ASP A 76 69.217 2.518 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 76 70.492 2.129 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.758 4.589 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.553 4.670 -7.882 1.00 0.00 H new ATOM 1221 N THR A 77 72.881 2.630 -7.397 1.00 0.00 N ATOM 1222 CA THR A 77 74.283 2.751 -7.001 1.00 0.00 C ATOM 1223 C THR A 77 74.761 4.187 -7.184 1.00 0.00 C ATOM 1224 O THR A 77 75.444 4.683 -6.301 1.00 0.00 O ATOM 1225 CB THR A 77 75.155 1.820 -7.847 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.589 0.517 -7.859 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.560 1.763 -7.251 1.00 0.00 C ATOM 1228 OXT THR A 77 74.442 4.771 -8.207 1.00 0.00 O ATOM 0 H THR A 77 72.734 2.390 -8.377 1.00 0.00 H new ATOM 0 HA THR A 77 74.367 2.472 -5.951 1.00 0.00 H new ATOM 0 HB THR A 77 75.208 2.198 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.148 -0.077 -8.402 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.183 1.101 -7.852 1.00 0.00 H new ATOM 0 HG22 THR A 77 76.994 2.763 -7.245 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.507 1.385 -6.230 1.00 0.00 H new TER 1236 THR A 77