USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 160:sc= -10.5! USER MOD Set 1.2: A 77 TYR OH : rot -130:sc= -6.43! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 113:sc= -5! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.7!) USER MOD Single : A 22 SER OG : rot -176:sc= 0.00588! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.98! C(o=-5!,f=-7.9!) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -8.39! C(o=-12!,f=-8.4!) USER MOD Single : A 37 THR OG1 : rot -71:sc= 1.04 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 57 MET CE :methyl -165:sc= 0 (180deg=-0.0484) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 8:sc= -0.731 USER MOD Single : A 65 TYR OH : rot -27:sc= -5.89! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -4.42! C(o=-4.4!,f=-4.2!) USER MOD Single : A 82 THR OG1 : rot 17:sc= -6.94! USER MOD Single : A 87 ASN : amide:sc=-0.00161 K(o=-0.0016,f=-1.2) USER MOD Single : A 89 ASN : amide:sc= -0.868 K(o=-0.87,f=-9.9!) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0598) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.349 -8.848 -1.036 1.00 0.00 N ATOM 2 CA ALA A 1 -17.329 -9.406 -1.969 1.00 0.00 C ATOM 3 C ALA A 1 -15.943 -9.301 -1.332 1.00 0.00 C ATOM 4 O ALA A 1 -15.464 -8.225 -1.032 1.00 0.00 O ATOM 5 CB ALA A 1 -17.349 -8.618 -3.281 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.292 -8.919 -1.469 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.336 -9.385 -0.146 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.132 -7.850 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.558 -10.452 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.603 -9.027 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.336 -8.694 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.122 -7.571 -3.080 1.00 0.00 H new ATOM 13 N ASP A 2 -15.296 -10.415 -1.126 1.00 0.00 N ATOM 14 CA ASP A 2 -13.943 -10.389 -0.513 1.00 0.00 C ATOM 15 C ASP A 2 -13.923 -9.440 0.691 1.00 0.00 C ATOM 16 O ASP A 2 -13.057 -8.596 0.795 1.00 0.00 O ATOM 17 CB ASP A 2 -12.943 -9.912 -1.563 1.00 0.00 C ATOM 18 CG ASP A 2 -11.573 -9.754 -0.916 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.434 -10.167 0.221 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.690 -9.218 -1.563 1.00 0.00 O ATOM 0 H ASP A 2 -15.649 -11.344 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.678 -11.388 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.890 -10.627 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.269 -8.963 -1.988 1.00 0.00 H new ATOM 25 N PRO A 3 -14.855 -9.628 1.591 1.00 0.00 N ATOM 26 CA PRO A 3 -14.923 -8.820 2.816 1.00 0.00 C ATOM 27 C PRO A 3 -13.907 -9.368 3.821 1.00 0.00 C ATOM 28 O PRO A 3 -13.837 -8.933 4.954 1.00 0.00 O ATOM 29 CB PRO A 3 -16.346 -9.057 3.328 1.00 0.00 C ATOM 30 CG PRO A 3 -16.803 -10.405 2.719 1.00 0.00 C ATOM 31 CD PRO A 3 -15.924 -10.645 1.479 1.00 0.00 C ATOM 0 HA PRO A 3 -14.705 -7.764 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.367 -9.094 4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.009 -8.247 3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.687 -11.215 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.858 -10.370 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.514 -11.655 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.494 -10.525 0.557 1.00 0.00 H new ATOM 39 N GLU A 4 -13.153 -10.363 3.422 1.00 0.00 N ATOM 40 CA GLU A 4 -12.183 -10.984 4.364 1.00 0.00 C ATOM 41 C GLU A 4 -10.898 -11.438 3.656 1.00 0.00 C ATOM 42 O GLU A 4 -10.042 -12.044 4.269 1.00 0.00 O ATOM 43 CB GLU A 4 -12.849 -12.218 4.940 1.00 0.00 C ATOM 44 CG GLU A 4 -12.828 -12.158 6.469 1.00 0.00 C ATOM 45 CD GLU A 4 -12.819 -13.578 7.040 1.00 0.00 C ATOM 46 OE1 GLU A 4 -11.935 -14.336 6.678 1.00 0.00 O ATOM 47 OE2 GLU A 4 -13.698 -13.883 7.831 1.00 0.00 O ATOM 0 H GLU A 4 -13.170 -10.768 2.486 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.913 -10.249 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.877 -12.286 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.333 -13.114 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.947 -11.613 6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.700 -11.614 6.833 1.00 0.00 H new ATOM 54 N LYS A 5 -10.742 -11.176 2.390 1.00 0.00 N ATOM 55 CA LYS A 5 -9.505 -11.626 1.705 1.00 0.00 C ATOM 56 C LYS A 5 -8.998 -10.481 0.850 1.00 0.00 C ATOM 57 O LYS A 5 -8.602 -10.656 -0.284 1.00 0.00 O ATOM 58 CB LYS A 5 -9.808 -12.840 0.824 1.00 0.00 C ATOM 59 CG LYS A 5 -10.528 -13.907 1.652 1.00 0.00 C ATOM 60 CD LYS A 5 -9.642 -15.149 1.762 1.00 0.00 C ATOM 61 CE LYS A 5 -8.408 -14.824 2.606 1.00 0.00 C ATOM 62 NZ LYS A 5 -7.317 -15.786 2.281 1.00 0.00 N ATOM 0 H LYS A 5 -11.411 -10.675 1.806 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.751 -11.913 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.427 -12.543 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.883 -13.245 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.755 -13.520 2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.479 -14.165 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.200 -15.968 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.339 -15.481 0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.078 -13.804 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.654 -14.881 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.478 -15.566 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.634 -16.754 2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.077 -15.710 1.272 1.00 0.00 H new ATOM 76 N SER A 6 -9.030 -9.301 1.389 1.00 0.00 N ATOM 77 CA SER A 6 -8.571 -8.126 0.608 1.00 0.00 C ATOM 78 C SER A 6 -7.334 -7.537 1.279 1.00 0.00 C ATOM 79 O SER A 6 -7.392 -7.041 2.386 1.00 0.00 O ATOM 80 CB SER A 6 -9.674 -7.072 0.589 1.00 0.00 C ATOM 81 OG SER A 6 -10.935 -7.711 0.469 1.00 0.00 O ATOM 0 H SER A 6 -9.353 -9.098 2.335 1.00 0.00 H new ATOM 0 HA SER A 6 -8.334 -8.431 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.640 -6.478 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.521 -6.385 -0.243 1.00 0.00 H new ATOM 0 HG SER A 6 -11.447 -7.582 1.294 1.00 0.00 H new ATOM 87 N TYR A 7 -6.209 -7.600 0.624 1.00 0.00 N ATOM 88 CA TYR A 7 -4.966 -7.051 1.244 1.00 0.00 C ATOM 89 C TYR A 7 -4.129 -6.283 0.210 1.00 0.00 C ATOM 90 O TYR A 7 -4.044 -6.655 -0.944 1.00 0.00 O ATOM 91 CB TYR A 7 -4.134 -8.204 1.812 1.00 0.00 C ATOM 92 CG TYR A 7 -3.970 -9.272 0.758 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.082 -10.000 0.321 1.00 0.00 C ATOM 94 CD2 TYR A 7 -2.705 -9.533 0.218 1.00 0.00 C ATOM 95 CE1 TYR A 7 -4.931 -10.989 -0.657 1.00 0.00 C ATOM 96 CE2 TYR A 7 -2.554 -10.523 -0.760 1.00 0.00 C ATOM 97 CZ TYR A 7 -3.667 -11.251 -1.199 1.00 0.00 C ATOM 98 OH TYR A 7 -3.517 -12.226 -2.164 1.00 0.00 O ATOM 0 H TYR A 7 -6.094 -8.004 -0.306 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.250 -6.362 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.157 -7.840 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.622 -8.620 2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.057 -9.798 0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.847 -8.971 0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.790 -11.551 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.578 -10.726 -1.176 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.576 -12.278 -2.433 1.00 0.00 H new ATOM 108 N ALA A 8 -3.494 -5.220 0.637 1.00 0.00 N ATOM 109 CA ALA A 8 -2.636 -4.419 -0.288 1.00 0.00 C ATOM 110 C ALA A 8 -1.219 -4.374 0.281 1.00 0.00 C ATOM 111 O ALA A 8 -1.002 -3.891 1.374 1.00 0.00 O ATOM 112 CB ALA A 8 -3.169 -2.988 -0.397 1.00 0.00 C ATOM 0 H ALA A 8 -3.534 -4.871 1.594 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.642 -4.879 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.536 -2.414 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.188 -3.008 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.163 -2.522 0.588 1.00 0.00 H new ATOM 118 N GLU A 9 -0.250 -4.874 -0.435 1.00 0.00 N ATOM 119 CA GLU A 9 1.138 -4.846 0.107 1.00 0.00 C ATOM 120 C GLU A 9 2.129 -4.502 -1.004 1.00 0.00 C ATOM 121 O GLU A 9 1.979 -4.908 -2.144 1.00 0.00 O ATOM 122 CB GLU A 9 1.484 -6.217 0.692 1.00 0.00 C ATOM 123 CG GLU A 9 1.140 -7.307 -0.324 1.00 0.00 C ATOM 124 CD GLU A 9 1.907 -8.586 0.018 1.00 0.00 C ATOM 125 OE1 GLU A 9 2.316 -8.721 1.159 1.00 0.00 O ATOM 126 OE2 GLU A 9 2.074 -9.407 -0.869 1.00 0.00 O ATOM 0 H GLU A 9 -0.355 -5.295 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 9 1.200 -4.087 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.544 -6.260 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.931 -6.380 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.067 -7.501 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.396 -6.975 -1.330 1.00 0.00 H new ATOM 133 N GLY A 10 3.138 -3.742 -0.679 1.00 0.00 N ATOM 134 CA GLY A 10 4.140 -3.371 -1.707 1.00 0.00 C ATOM 135 C GLY A 10 5.415 -2.858 -1.041 1.00 0.00 C ATOM 136 O GLY A 10 5.457 -2.672 0.159 1.00 0.00 O ATOM 0 H GLY A 10 3.309 -3.364 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.369 -4.235 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.730 -2.604 -2.364 1.00 0.00 H new ATOM 140 N PRO A 11 6.403 -2.588 -1.860 1.00 0.00 N ATOM 141 CA PRO A 11 7.682 -2.024 -1.402 1.00 0.00 C ATOM 142 C PRO A 11 7.513 -0.514 -1.184 1.00 0.00 C ATOM 143 O PRO A 11 8.465 0.213 -0.977 1.00 0.00 O ATOM 144 CB PRO A 11 8.637 -2.303 -2.567 1.00 0.00 C ATOM 145 CG PRO A 11 7.750 -2.485 -3.822 1.00 0.00 C ATOM 146 CD PRO A 11 6.338 -2.834 -3.316 1.00 0.00 C ATOM 0 HA PRO A 11 8.042 -2.446 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.337 -1.478 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.231 -3.197 -2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.733 -1.574 -4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.140 -3.278 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.580 -2.212 -3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.082 -3.871 -3.534 1.00 0.00 H new ATOM 154 N GLY A 12 6.292 -0.045 -1.237 1.00 0.00 N ATOM 155 CA GLY A 12 6.008 1.399 -1.048 1.00 0.00 C ATOM 156 C GLY A 12 5.141 1.562 0.195 1.00 0.00 C ATOM 157 O GLY A 12 4.497 0.634 0.602 1.00 0.00 O ATOM 0 H GLY A 12 5.467 -0.620 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.938 1.957 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.497 1.802 -1.922 1.00 0.00 H new ATOM 161 N LEU A 13 5.126 2.723 0.795 1.00 0.00 N ATOM 162 CA LEU A 13 4.285 2.943 2.017 1.00 0.00 C ATOM 163 C LEU A 13 5.057 2.553 3.269 1.00 0.00 C ATOM 164 O LEU A 13 4.606 2.747 4.380 1.00 0.00 O ATOM 165 CB LEU A 13 2.964 2.167 1.888 1.00 0.00 C ATOM 166 CG LEU A 13 2.929 0.846 2.695 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.823 0.924 3.742 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.616 -0.324 1.759 1.00 0.00 C ATOM 0 H LEU A 13 5.662 3.536 0.492 1.00 0.00 H new ATOM 0 HA LEU A 13 4.041 4.002 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.145 2.806 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.787 1.943 0.836 1.00 0.00 H new ATOM 0 HG LEU A 13 3.898 0.697 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.796 -0.005 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.018 1.758 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.864 1.074 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.592 -1.251 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.646 -0.164 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.386 -0.391 0.991 1.00 0.00 H new ATOM 180 N ASP A 14 6.232 2.036 3.096 1.00 0.00 N ATOM 181 CA ASP A 14 7.058 1.667 4.276 1.00 0.00 C ATOM 182 C ASP A 14 7.501 2.951 4.960 1.00 0.00 C ATOM 183 O ASP A 14 7.917 2.961 6.102 1.00 0.00 O ATOM 184 CB ASP A 14 8.300 0.933 3.815 1.00 0.00 C ATOM 185 CG ASP A 14 7.926 -0.109 2.761 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.288 0.264 1.789 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.280 -1.262 2.943 1.00 0.00 O ATOM 0 H ASP A 14 6.661 1.851 2.189 1.00 0.00 H new ATOM 0 HA ASP A 14 6.480 1.035 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.019 1.640 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.783 0.448 4.664 1.00 0.00 H new ATOM 192 N GLY A 15 7.412 4.039 4.254 1.00 0.00 N ATOM 193 CA GLY A 15 7.822 5.351 4.835 1.00 0.00 C ATOM 194 C GLY A 15 9.336 5.505 4.803 1.00 0.00 C ATOM 195 O GLY A 15 9.990 5.249 3.812 1.00 0.00 O ATOM 0 H GLY A 15 7.071 4.080 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.357 6.163 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.466 5.427 5.862 1.00 0.00 H new ATOM 199 N GLY A 16 9.887 5.923 5.907 1.00 0.00 N ATOM 200 CA GLY A 16 11.364 6.110 5.998 1.00 0.00 C ATOM 201 C GLY A 16 11.845 7.255 5.112 1.00 0.00 C ATOM 202 O GLY A 16 12.272 8.283 5.597 1.00 0.00 O ATOM 0 H GLY A 16 9.373 6.146 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.642 6.309 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.866 5.188 5.705 1.00 0.00 H new ATOM 206 N GLU A 17 11.829 7.079 3.822 1.00 0.00 N ATOM 207 CA GLU A 17 12.340 8.160 2.939 1.00 0.00 C ATOM 208 C GLU A 17 11.278 8.643 1.956 1.00 0.00 C ATOM 209 O GLU A 17 10.478 7.882 1.447 1.00 0.00 O ATOM 210 CB GLU A 17 13.513 7.627 2.137 1.00 0.00 C ATOM 211 CG GLU A 17 14.768 7.594 3.012 1.00 0.00 C ATOM 212 CD GLU A 17 15.407 6.206 2.934 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.860 5.290 3.526 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.433 6.083 2.285 1.00 0.00 O ATOM 0 H GLU A 17 11.489 6.244 3.346 1.00 0.00 H new ATOM 0 HA GLU A 17 12.633 8.996 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.289 6.626 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.684 8.256 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.477 8.352 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.511 7.830 4.045 1.00 0.00 H new ATOM 221 N CYS A 18 11.287 9.915 1.687 1.00 0.00 N ATOM 222 CA CYS A 18 10.294 10.498 0.723 1.00 0.00 C ATOM 223 C CYS A 18 10.856 10.413 -0.695 1.00 0.00 C ATOM 224 O CYS A 18 10.131 10.517 -1.666 1.00 0.00 O ATOM 225 CB CYS A 18 10.043 11.986 1.009 1.00 0.00 C ATOM 226 SG CYS A 18 8.588 12.203 2.069 1.00 0.00 S ATOM 0 H CYS A 18 11.940 10.587 2.091 1.00 0.00 H new ATOM 0 HA CYS A 18 9.367 9.936 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.918 12.421 1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.898 12.522 0.071 1.00 0.00 H new ATOM 0 HG CYS A 18 8.635 13.372 2.637 1.00 0.00 H new ATOM 232 N PHE A 19 12.142 10.257 -0.830 1.00 0.00 N ATOM 233 CA PHE A 19 12.737 10.205 -2.195 1.00 0.00 C ATOM 234 C PHE A 19 12.744 8.778 -2.715 1.00 0.00 C ATOM 235 O PHE A 19 13.313 8.480 -3.748 1.00 0.00 O ATOM 236 CB PHE A 19 14.145 10.791 -2.164 1.00 0.00 C ATOM 237 CG PHE A 19 13.987 12.280 -2.105 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.315 12.938 -3.138 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.456 12.997 -1.002 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.118 14.317 -3.076 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.249 14.377 -0.933 1.00 0.00 C ATOM 242 CZ PHE A 19 13.581 15.034 -1.971 1.00 0.00 C ATOM 0 H PHE A 19 12.804 10.164 -0.060 1.00 0.00 H new ATOM 0 HA PHE A 19 12.131 10.802 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.698 10.425 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.707 10.496 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.948 12.378 -3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.977 12.487 -0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.609 14.829 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.604 14.935 -0.079 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.422 16.101 -1.918 1.00 0.00 H new ATOM 252 N GLN A 20 12.062 7.907 -2.040 1.00 0.00 N ATOM 253 CA GLN A 20 11.964 6.516 -2.525 1.00 0.00 C ATOM 254 C GLN A 20 10.615 6.413 -3.225 1.00 0.00 C ATOM 255 O GLN A 20 9.678 7.085 -2.840 1.00 0.00 O ATOM 256 CB GLN A 20 12.022 5.542 -1.345 1.00 0.00 C ATOM 257 CG GLN A 20 13.390 4.857 -1.310 1.00 0.00 C ATOM 258 CD GLN A 20 13.216 3.389 -0.919 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.133 2.965 -0.569 1.00 0.00 O ATOM 260 NE2 GLN A 20 14.245 2.589 -0.965 1.00 0.00 N ATOM 0 H GLN A 20 11.567 8.101 -1.170 1.00 0.00 H new ATOM 0 HA GLN A 20 12.785 6.266 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.848 6.076 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.233 4.796 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.870 4.930 -2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 20 14.042 5.360 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.155 2.945 -1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.140 1.608 -0.707 1.00 0.00 H new ATOM 269 N PRO A 21 10.541 5.603 -4.233 1.00 0.00 N ATOM 270 CA PRO A 21 9.297 5.442 -4.990 1.00 0.00 C ATOM 271 C PRO A 21 8.279 4.701 -4.135 1.00 0.00 C ATOM 272 O PRO A 21 8.579 3.683 -3.544 1.00 0.00 O ATOM 273 CB PRO A 21 9.723 4.637 -6.221 1.00 0.00 C ATOM 274 CG PRO A 21 11.045 3.930 -5.840 1.00 0.00 C ATOM 275 CD PRO A 21 11.661 4.760 -4.696 1.00 0.00 C ATOM 0 HA PRO A 21 8.821 6.380 -5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.958 3.910 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.865 5.290 -7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.860 2.904 -5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.721 3.882 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.039 4.122 -3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.499 5.364 -5.045 1.00 0.00 H new ATOM 283 N SER A 22 7.078 5.203 -4.046 1.00 0.00 N ATOM 284 CA SER A 22 6.074 4.516 -3.210 1.00 0.00 C ATOM 285 C SER A 22 5.103 3.789 -4.127 1.00 0.00 C ATOM 286 O SER A 22 4.339 4.403 -4.836 1.00 0.00 O ATOM 287 CB SER A 22 5.327 5.572 -2.432 1.00 0.00 C ATOM 288 OG SER A 22 5.218 5.167 -1.074 1.00 0.00 O ATOM 0 H SER A 22 6.758 6.051 -4.514 1.00 0.00 H new ATOM 0 HA SER A 22 6.544 3.804 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.850 6.526 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.336 5.722 -2.859 1.00 0.00 H new ATOM 0 HG SER A 22 4.679 5.820 -0.580 1.00 0.00 H new ATOM 294 N LYS A 23 5.135 2.485 -4.133 1.00 0.00 N ATOM 295 CA LYS A 23 4.217 1.734 -5.021 1.00 0.00 C ATOM 296 C LYS A 23 3.877 0.381 -4.405 1.00 0.00 C ATOM 297 O LYS A 23 4.733 -0.322 -3.910 1.00 0.00 O ATOM 298 CB LYS A 23 4.896 1.500 -6.363 1.00 0.00 C ATOM 299 CG LYS A 23 5.704 2.737 -6.765 1.00 0.00 C ATOM 300 CD LYS A 23 6.109 2.624 -8.237 1.00 0.00 C ATOM 301 CE LYS A 23 7.178 1.540 -8.393 1.00 0.00 C ATOM 302 NZ LYS A 23 7.756 1.604 -9.766 1.00 0.00 N ATOM 0 H LYS A 23 5.757 1.912 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 23 3.303 2.313 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.552 0.632 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.148 1.281 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.112 3.639 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.591 2.825 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.239 2.381 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.491 3.580 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.963 1.679 -7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.742 0.557 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.482 0.867 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.003 1.451 -10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.186 2.539 -9.918 1.00 0.00 H new ATOM 316 N PHE A 24 2.628 0.012 -4.439 1.00 0.00 N ATOM 317 CA PHE A 24 2.214 -1.306 -3.863 1.00 0.00 C ATOM 318 C PHE A 24 1.151 -1.944 -4.756 1.00 0.00 C ATOM 319 O PHE A 24 0.478 -1.273 -5.522 1.00 0.00 O ATOM 320 CB PHE A 24 1.645 -1.149 -2.441 1.00 0.00 C ATOM 321 CG PHE A 24 1.686 0.291 -2.029 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.919 0.918 -1.868 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.501 0.999 -1.830 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.976 2.261 -1.512 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.557 2.346 -1.467 1.00 0.00 C ATOM 326 CZ PHE A 24 1.799 2.976 -1.311 1.00 0.00 C ATOM 0 H PHE A 24 1.871 0.565 -4.841 1.00 0.00 H new ATOM 0 HA PHE A 24 3.099 -1.940 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.619 -1.516 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.222 -1.753 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.832 0.361 -2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.453 0.509 -1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.932 2.748 -1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.355 2.901 -1.307 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.843 4.019 -1.034 1.00 0.00 H new ATOM 336 N LYS A 25 0.992 -3.239 -4.655 1.00 0.00 N ATOM 337 CA LYS A 25 -0.027 -3.931 -5.491 1.00 0.00 C ATOM 338 C LYS A 25 -1.095 -4.508 -4.564 1.00 0.00 C ATOM 339 O LYS A 25 -0.807 -4.924 -3.455 1.00 0.00 O ATOM 340 CB LYS A 25 0.641 -5.062 -6.282 1.00 0.00 C ATOM 341 CG LYS A 25 1.827 -4.503 -7.071 1.00 0.00 C ATOM 342 CD LYS A 25 1.786 -5.039 -8.506 1.00 0.00 C ATOM 343 CE LYS A 25 2.409 -6.435 -8.548 1.00 0.00 C ATOM 344 NZ LYS A 25 1.361 -7.437 -8.892 1.00 0.00 N ATOM 0 H LYS A 25 1.524 -3.844 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.480 -3.231 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.979 -5.845 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.078 -5.519 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.792 -3.414 -7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.763 -4.789 -6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.756 -5.078 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.328 -4.367 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.211 -6.465 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.854 -6.675 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.785 -8.386 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.610 -7.414 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.956 -7.210 -9.823 1.00 0.00 H new ATOM 358 N ILE A 26 -2.332 -4.505 -4.984 1.00 0.00 N ATOM 359 CA ILE A 26 -3.405 -5.019 -4.097 1.00 0.00 C ATOM 360 C ILE A 26 -4.065 -6.248 -4.713 1.00 0.00 C ATOM 361 O ILE A 26 -4.042 -6.450 -5.908 1.00 0.00 O ATOM 362 CB ILE A 26 -4.451 -3.928 -3.898 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.741 -2.576 -3.762 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.246 -4.228 -2.628 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.715 -1.535 -3.208 1.00 0.00 C ATOM 0 H ILE A 26 -2.640 -4.171 -5.897 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.969 -5.301 -3.138 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.130 -3.895 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.880 -2.671 -3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.363 -2.254 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.997 -3.453 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.738 -5.196 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.571 -4.250 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.207 -0.576 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.562 -1.431 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.072 -1.855 -2.229 1.00 0.00 H new ATOM 377 N HIS A 27 -4.653 -7.067 -3.890 1.00 0.00 N ATOM 378 CA HIS A 27 -5.329 -8.295 -4.394 1.00 0.00 C ATOM 379 C HIS A 27 -6.579 -8.585 -3.558 1.00 0.00 C ATOM 380 O HIS A 27 -6.514 -8.740 -2.348 1.00 0.00 O ATOM 381 CB HIS A 27 -4.380 -9.488 -4.285 1.00 0.00 C ATOM 382 CG HIS A 27 -2.984 -9.044 -4.596 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.335 -8.086 -3.839 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.099 -9.412 -5.578 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.116 -7.910 -4.370 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.917 -8.694 -5.433 1.00 0.00 N ATOM 0 H HIS A 27 -4.695 -6.938 -2.879 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.611 -8.136 -5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.424 -9.911 -3.281 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.686 -10.274 -4.976 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.291 -10.147 -6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.383 -7.217 -3.984 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.080 -8.753 -6.013 1.00 0.00 H new ATOM 394 N ALA A 28 -7.716 -8.660 -4.195 1.00 0.00 N ATOM 395 CA ALA A 28 -8.976 -8.952 -3.444 1.00 0.00 C ATOM 396 C ALA A 28 -9.459 -10.385 -3.741 1.00 0.00 C ATOM 397 O ALA A 28 -9.568 -10.782 -4.880 1.00 0.00 O ATOM 398 CB ALA A 28 -10.065 -7.971 -3.873 1.00 0.00 C ATOM 0 H ALA A 28 -7.829 -8.532 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.775 -8.851 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.983 -8.184 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.742 -6.952 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.248 -8.075 -4.942 1.00 0.00 H new ATOM 404 N VAL A 29 -9.784 -11.157 -2.731 1.00 0.00 N ATOM 405 CA VAL A 29 -10.287 -12.543 -2.986 1.00 0.00 C ATOM 406 C VAL A 29 -11.726 -12.629 -2.481 1.00 0.00 C ATOM 407 O VAL A 29 -12.030 -12.272 -1.361 1.00 0.00 O ATOM 408 CB VAL A 29 -9.395 -13.571 -2.274 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.209 -14.816 -1.895 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.267 -13.985 -3.221 1.00 0.00 C ATOM 0 H VAL A 29 -9.723 -10.889 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.259 -12.765 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.989 -13.123 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.562 -15.534 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.022 -14.530 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.622 -15.269 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.626 -14.715 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.692 -14.427 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.678 -13.108 -3.490 1.00 0.00 H new ATOM 420 N ASP A 30 -12.610 -13.091 -3.311 1.00 0.00 N ATOM 421 CA ASP A 30 -14.042 -13.188 -2.917 1.00 0.00 C ATOM 422 C ASP A 30 -14.353 -14.628 -2.484 1.00 0.00 C ATOM 423 O ASP A 30 -13.456 -15.441 -2.380 1.00 0.00 O ATOM 424 CB ASP A 30 -14.897 -12.746 -4.115 1.00 0.00 C ATOM 425 CG ASP A 30 -15.255 -13.943 -5.001 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.379 -14.753 -5.252 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.401 -14.028 -5.414 1.00 0.00 O ATOM 0 H ASP A 30 -12.402 -13.410 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.268 -12.539 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.809 -12.266 -3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.354 -12.004 -4.701 1.00 0.00 H new ATOM 432 N PRO A 31 -15.604 -14.898 -2.211 1.00 0.00 N ATOM 433 CA PRO A 31 -16.032 -16.228 -1.751 1.00 0.00 C ATOM 434 C PRO A 31 -16.132 -17.231 -2.905 1.00 0.00 C ATOM 435 O PRO A 31 -16.719 -18.284 -2.755 1.00 0.00 O ATOM 436 CB PRO A 31 -17.406 -15.966 -1.128 1.00 0.00 C ATOM 437 CG PRO A 31 -17.927 -14.651 -1.753 1.00 0.00 C ATOM 438 CD PRO A 31 -16.704 -13.918 -2.330 1.00 0.00 C ATOM 0 HA PRO A 31 -15.322 -16.673 -1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.089 -16.790 -1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.330 -15.877 -0.044 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.658 -14.858 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.427 -14.038 -1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.867 -13.627 -3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.487 -13.006 -1.773 1.00 0.00 H new ATOM 446 N ASP A 32 -15.565 -16.944 -4.050 1.00 0.00 N ATOM 447 CA ASP A 32 -15.654 -17.936 -5.157 1.00 0.00 C ATOM 448 C ASP A 32 -14.257 -18.481 -5.459 1.00 0.00 C ATOM 449 O ASP A 32 -14.058 -19.207 -6.413 1.00 0.00 O ATOM 450 CB ASP A 32 -16.223 -17.261 -6.405 1.00 0.00 C ATOM 451 CG ASP A 32 -17.011 -18.286 -7.223 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.897 -18.910 -6.661 1.00 0.00 O ATOM 453 OD2 ASP A 32 -16.715 -18.432 -8.398 1.00 0.00 O ATOM 0 H ASP A 32 -15.056 -16.086 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.309 -18.756 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.870 -16.432 -6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.415 -16.843 -7.006 1.00 0.00 H new ATOM 458 N GLY A 33 -13.280 -18.110 -4.675 1.00 0.00 N ATOM 459 CA GLY A 33 -11.894 -18.577 -4.943 1.00 0.00 C ATOM 460 C GLY A 33 -11.408 -17.798 -6.150 1.00 0.00 C ATOM 461 O GLY A 33 -10.769 -18.320 -7.041 1.00 0.00 O ATOM 0 H GLY A 33 -13.384 -17.504 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.251 -18.400 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.876 -19.649 -5.139 1.00 0.00 H new ATOM 465 N VAL A 34 -11.761 -16.544 -6.195 1.00 0.00 N ATOM 466 CA VAL A 34 -11.386 -15.701 -7.350 1.00 0.00 C ATOM 467 C VAL A 34 -11.245 -14.253 -6.888 1.00 0.00 C ATOM 468 O VAL A 34 -11.095 -13.974 -5.715 1.00 0.00 O ATOM 469 CB VAL A 34 -12.506 -15.788 -8.390 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.926 -15.590 -9.788 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.174 -17.165 -8.315 1.00 0.00 C ATOM 0 H VAL A 34 -12.299 -16.068 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.443 -16.041 -7.777 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.243 -15.011 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.726 -15.653 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.451 -14.611 -9.850 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.186 -16.365 -9.988 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.971 -17.224 -9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.434 -17.940 -8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.593 -17.312 -7.320 1.00 0.00 H new ATOM 481 N HIS A 35 -11.318 -13.329 -7.800 1.00 0.00 N ATOM 482 CA HIS A 35 -11.214 -11.902 -7.420 1.00 0.00 C ATOM 483 C HIS A 35 -12.597 -11.266 -7.548 1.00 0.00 C ATOM 484 O HIS A 35 -12.823 -10.410 -8.380 1.00 0.00 O ATOM 485 CB HIS A 35 -10.228 -11.195 -8.351 1.00 0.00 C ATOM 486 CG HIS A 35 -8.857 -11.219 -7.733 1.00 0.00 C ATOM 487 ND1 HIS A 35 -8.192 -10.318 -6.941 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -7.983 -12.277 -7.916 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -6.925 -10.807 -6.635 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -6.851 -11.990 -7.249 1.00 0.00 N flip ATOM 0 H HIS A 35 -11.446 -13.504 -8.797 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.857 -11.810 -6.394 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.210 -11.688 -9.323 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.545 -10.166 -8.521 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.569 -9.425 -6.624 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.175 -13.171 -8.490 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.166 -10.332 -6.031 1.00 0.00 H new ATOM 498 N ARG A 36 -13.529 -11.702 -6.733 1.00 0.00 N ATOM 499 CA ARG A 36 -14.917 -11.150 -6.786 1.00 0.00 C ATOM 500 C ARG A 36 -15.303 -10.972 -8.244 1.00 0.00 C ATOM 501 O ARG A 36 -15.543 -9.869 -8.695 1.00 0.00 O ATOM 502 CB ARG A 36 -14.987 -9.792 -6.067 1.00 0.00 C ATOM 503 CG ARG A 36 -13.579 -9.222 -5.896 1.00 0.00 C ATOM 504 CD ARG A 36 -13.643 -7.845 -5.242 1.00 0.00 C ATOM 505 NE ARG A 36 -12.285 -7.218 -5.266 1.00 0.00 N ATOM 506 CZ ARG A 36 -11.437 -7.492 -6.230 1.00 0.00 C ATOM 507 NH1 ARG A 36 -10.997 -8.710 -6.405 1.00 0.00 N ATOM 508 NH2 ARG A 36 -10.989 -6.537 -6.985 1.00 0.00 N ATOM 0 H ARG A 36 -13.384 -12.424 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.602 -11.837 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.603 -9.098 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.462 -9.910 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.978 -9.895 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.088 -9.149 -6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.357 -7.213 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.996 -7.935 -4.215 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.015 -6.571 -4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.312 -9.460 -5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.338 -8.911 -7.157 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.296 -5.577 -6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.330 -6.746 -7.735 1.00 0.00 H new ATOM 522 N THR A 37 -15.340 -12.049 -8.989 1.00 0.00 N ATOM 523 CA THR A 37 -15.681 -11.940 -10.444 1.00 0.00 C ATOM 524 C THR A 37 -15.045 -10.658 -11.007 1.00 0.00 C ATOM 525 O THR A 37 -15.690 -9.634 -11.111 1.00 0.00 O ATOM 526 CB THR A 37 -17.205 -11.882 -10.629 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.517 -10.965 -11.670 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.881 -11.428 -9.333 1.00 0.00 C ATOM 0 H THR A 37 -15.150 -12.994 -8.656 1.00 0.00 H new ATOM 0 HA THR A 37 -15.298 -12.812 -10.973 1.00 0.00 H new ATOM 0 HB THR A 37 -17.569 -12.876 -10.888 1.00 0.00 H new ATOM 0 HG1 THR A 37 -17.341 -10.051 -11.364 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.961 -11.392 -9.479 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.646 -12.132 -8.534 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.518 -10.437 -9.061 1.00 0.00 H new ATOM 536 N ASP A 38 -13.776 -10.694 -11.335 1.00 0.00 N ATOM 537 CA ASP A 38 -13.094 -9.469 -11.849 1.00 0.00 C ATOM 538 C ASP A 38 -14.016 -8.689 -12.785 1.00 0.00 C ATOM 539 O ASP A 38 -14.962 -9.219 -13.333 1.00 0.00 O ATOM 540 CB ASP A 38 -11.827 -9.872 -12.602 1.00 0.00 C ATOM 541 CG ASP A 38 -10.610 -9.301 -11.874 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.572 -8.096 -11.684 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.743 -10.080 -11.512 1.00 0.00 O ATOM 0 H ASP A 38 -13.184 -11.522 -11.268 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.837 -8.831 -11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.754 -10.958 -12.662 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.863 -9.498 -13.625 1.00 0.00 H new ATOM 548 N GLY A 39 -13.740 -7.425 -12.971 1.00 0.00 N ATOM 549 CA GLY A 39 -14.590 -6.594 -13.870 1.00 0.00 C ATOM 550 C GLY A 39 -15.330 -5.528 -13.050 1.00 0.00 C ATOM 551 O GLY A 39 -15.313 -4.360 -13.385 1.00 0.00 O ATOM 0 H GLY A 39 -12.960 -6.932 -12.537 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.972 -6.116 -14.630 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.308 -7.226 -14.393 1.00 0.00 H new ATOM 555 N GLY A 40 -15.987 -5.913 -11.982 1.00 0.00 N ATOM 556 CA GLY A 40 -16.724 -4.909 -11.162 1.00 0.00 C ATOM 557 C GLY A 40 -16.388 -5.104 -9.680 1.00 0.00 C ATOM 558 O GLY A 40 -17.241 -5.447 -8.885 1.00 0.00 O ATOM 0 H GLY A 40 -16.043 -6.875 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.454 -3.901 -11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.797 -5.015 -11.318 1.00 0.00 H new ATOM 562 N ASP A 41 -15.156 -4.892 -9.299 1.00 0.00 N ATOM 563 CA ASP A 41 -14.778 -5.070 -7.866 1.00 0.00 C ATOM 564 C ASP A 41 -14.964 -3.749 -7.118 1.00 0.00 C ATOM 565 O ASP A 41 -14.457 -2.722 -7.525 1.00 0.00 O ATOM 566 CB ASP A 41 -13.309 -5.496 -7.780 1.00 0.00 C ATOM 567 CG ASP A 41 -12.998 -6.487 -8.904 1.00 0.00 C ATOM 568 OD1 ASP A 41 -12.923 -6.056 -10.043 1.00 0.00 O ATOM 569 OD2 ASP A 41 -12.844 -7.661 -8.607 1.00 0.00 O ATOM 0 H ASP A 41 -14.397 -4.604 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.411 -5.834 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.661 -4.623 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.108 -5.954 -6.811 1.00 0.00 H new ATOM 574 N GLY A 42 -15.666 -3.764 -6.017 1.00 0.00 N ATOM 575 CA GLY A 42 -15.849 -2.502 -5.245 1.00 0.00 C ATOM 576 C GLY A 42 -14.498 -2.135 -4.645 1.00 0.00 C ATOM 577 O GLY A 42 -14.287 -2.235 -3.455 1.00 0.00 O ATOM 0 H GLY A 42 -16.117 -4.589 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.210 -1.704 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.594 -2.637 -4.460 1.00 0.00 H new ATOM 581 N PHE A 43 -13.565 -1.756 -5.473 1.00 0.00 N ATOM 582 CA PHE A 43 -12.207 -1.437 -4.962 1.00 0.00 C ATOM 583 C PHE A 43 -11.916 0.061 -5.036 1.00 0.00 C ATOM 584 O PHE A 43 -12.026 0.683 -6.074 1.00 0.00 O ATOM 585 CB PHE A 43 -11.179 -2.179 -5.810 1.00 0.00 C ATOM 586 CG PHE A 43 -10.161 -2.831 -4.913 1.00 0.00 C ATOM 587 CD1 PHE A 43 -10.406 -4.105 -4.392 1.00 0.00 C ATOM 588 CD2 PHE A 43 -8.968 -2.169 -4.612 1.00 0.00 C ATOM 589 CE1 PHE A 43 -9.462 -4.718 -3.570 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.022 -2.785 -3.790 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.270 -4.059 -3.268 1.00 0.00 C ATOM 0 H PHE A 43 -13.686 -1.654 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.152 -1.745 -3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.674 -2.932 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.687 -1.486 -6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.328 -4.615 -4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.778 -1.185 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.653 -5.702 -3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.098 -2.277 -3.557 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.538 -4.533 -2.631 1.00 0.00 H new ATOM 601 N VAL A 44 -11.500 0.626 -3.940 1.00 0.00 N ATOM 602 CA VAL A 44 -11.141 2.068 -3.919 1.00 0.00 C ATOM 603 C VAL A 44 -9.897 2.226 -3.039 1.00 0.00 C ATOM 604 O VAL A 44 -9.940 2.019 -1.842 1.00 0.00 O ATOM 605 CB VAL A 44 -12.314 2.908 -3.366 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.196 2.047 -2.463 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.785 4.106 -2.559 1.00 0.00 C ATOM 0 H VAL A 44 -11.392 0.144 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.934 2.424 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.899 3.274 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.020 2.648 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.595 1.209 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.604 1.668 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.625 4.687 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.184 3.745 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.171 4.736 -3.203 1.00 0.00 H new ATOM 617 N VAL A 45 -8.796 2.600 -3.622 1.00 0.00 N ATOM 618 CA VAL A 45 -7.559 2.780 -2.820 1.00 0.00 C ATOM 619 C VAL A 45 -7.122 4.230 -2.936 1.00 0.00 C ATOM 620 O VAL A 45 -7.385 4.889 -3.923 1.00 0.00 O ATOM 621 CB VAL A 45 -6.454 1.863 -3.340 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.272 1.884 -2.369 1.00 0.00 C ATOM 623 CG2 VAL A 45 -6.988 0.436 -3.457 1.00 0.00 C ATOM 0 H VAL A 45 -8.699 2.789 -4.620 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.753 2.526 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.127 2.211 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.484 1.229 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.889 2.901 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.600 1.537 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.199 -0.218 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.316 0.089 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.830 0.418 -4.149 1.00 0.00 H new ATOM 633 N THR A 46 -6.477 4.745 -1.938 1.00 0.00 N ATOM 634 CA THR A 46 -6.058 6.161 -2.011 1.00 0.00 C ATOM 635 C THR A 46 -4.943 6.452 -1.011 1.00 0.00 C ATOM 636 O THR A 46 -5.064 6.205 0.173 1.00 0.00 O ATOM 637 CB THR A 46 -7.261 7.057 -1.705 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.327 6.259 -1.209 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.708 7.767 -2.983 1.00 0.00 C ATOM 0 H THR A 46 -6.223 4.252 -1.082 1.00 0.00 H new ATOM 0 HA THR A 46 -5.683 6.363 -3.014 1.00 0.00 H new ATOM 0 HB THR A 46 -6.982 7.800 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.098 6.830 -1.011 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.565 8.405 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.890 8.377 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.989 7.026 -3.732 1.00 0.00 H new ATOM 647 N ILE A 47 -3.877 7.020 -1.485 1.00 0.00 N ATOM 648 CA ILE A 47 -2.756 7.397 -0.590 1.00 0.00 C ATOM 649 C ILE A 47 -2.559 8.896 -0.688 1.00 0.00 C ATOM 650 O ILE A 47 -2.871 9.509 -1.688 1.00 0.00 O ATOM 651 CB ILE A 47 -1.442 6.732 -1.020 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.335 5.314 -0.437 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.256 7.590 -0.528 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.118 5.064 -0.018 1.00 0.00 C ATOM 0 H ILE A 47 -3.732 7.243 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.002 7.075 0.422 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.421 6.658 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.999 5.207 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.647 4.577 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.681 7.123 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.322 8.587 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.289 7.667 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.209 4.061 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.769 5.157 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.411 5.797 0.734 1.00 0.00 H new ATOM 666 N GLU A 48 -1.988 9.486 0.313 1.00 0.00 N ATOM 667 CA GLU A 48 -1.721 10.936 0.205 1.00 0.00 C ATOM 668 C GLU A 48 -0.852 11.405 1.373 1.00 0.00 C ATOM 669 O GLU A 48 -0.864 10.839 2.450 1.00 0.00 O ATOM 670 CB GLU A 48 -3.039 11.720 0.188 1.00 0.00 C ATOM 671 CG GLU A 48 -4.131 10.923 0.906 1.00 0.00 C ATOM 672 CD GLU A 48 -5.113 11.886 1.576 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.737 12.492 2.565 1.00 0.00 O ATOM 674 OE2 GLU A 48 -6.226 12.000 1.089 1.00 0.00 O ATOM 0 H GLU A 48 -1.700 9.040 1.184 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.188 11.120 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.903 12.686 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.340 11.920 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.658 10.287 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.685 10.266 1.652 1.00 0.00 H new ATOM 681 N GLY A 49 -0.102 12.446 1.152 1.00 0.00 N ATOM 682 CA GLY A 49 0.782 12.997 2.217 1.00 0.00 C ATOM 683 C GLY A 49 1.070 14.465 1.893 1.00 0.00 C ATOM 684 O GLY A 49 0.449 15.032 1.015 1.00 0.00 O ATOM 0 H GLY A 49 -0.063 12.947 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.301 12.911 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.712 12.430 2.269 1.00 0.00 H new ATOM 688 N PRO A 50 2.003 15.041 2.603 1.00 0.00 N ATOM 689 CA PRO A 50 2.389 16.448 2.402 1.00 0.00 C ATOM 690 C PRO A 50 3.274 16.577 1.158 1.00 0.00 C ATOM 691 O PRO A 50 4.460 16.823 1.251 1.00 0.00 O ATOM 692 CB PRO A 50 3.170 16.793 3.671 1.00 0.00 C ATOM 693 CG PRO A 50 3.666 15.450 4.255 1.00 0.00 C ATOM 694 CD PRO A 50 2.759 14.350 3.666 1.00 0.00 C ATOM 0 HA PRO A 50 1.539 17.112 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.008 17.452 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.537 17.318 4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.709 15.275 3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.610 15.457 5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.344 13.522 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.094 13.934 4.423 1.00 0.00 H new ATOM 702 N ALA A 51 2.703 16.408 -0.005 1.00 0.00 N ATOM 703 CA ALA A 51 3.508 16.515 -1.253 1.00 0.00 C ATOM 704 C ALA A 51 2.584 16.869 -2.422 1.00 0.00 C ATOM 705 O ALA A 51 1.390 17.001 -2.243 1.00 0.00 O ATOM 706 CB ALA A 51 4.192 15.174 -1.526 1.00 0.00 C ATOM 0 H ALA A 51 1.714 16.201 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 51 4.264 17.293 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.783 15.246 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.845 14.922 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.436 14.397 -1.644 1.00 0.00 H new ATOM 712 N PRO A 52 3.164 17.018 -3.585 1.00 0.00 N ATOM 713 CA PRO A 52 2.411 17.362 -4.805 1.00 0.00 C ATOM 714 C PRO A 52 1.668 16.136 -5.350 1.00 0.00 C ATOM 715 O PRO A 52 0.467 16.159 -5.534 1.00 0.00 O ATOM 716 CB PRO A 52 3.497 17.831 -5.777 1.00 0.00 C ATOM 717 CG PRO A 52 4.825 17.211 -5.282 1.00 0.00 C ATOM 718 CD PRO A 52 4.619 16.858 -3.795 1.00 0.00 C ATOM 0 HA PRO A 52 1.645 18.119 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.273 17.509 -6.794 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.559 18.919 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.077 16.322 -5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.649 17.914 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.944 15.840 -3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.191 17.520 -3.145 1.00 0.00 H new ATOM 726 N VAL A 53 2.368 15.066 -5.608 1.00 0.00 N ATOM 727 CA VAL A 53 1.694 13.846 -6.141 1.00 0.00 C ATOM 728 C VAL A 53 1.229 12.972 -4.970 1.00 0.00 C ATOM 729 O VAL A 53 1.852 11.981 -4.647 1.00 0.00 O ATOM 730 CB VAL A 53 2.687 13.053 -6.992 1.00 0.00 C ATOM 731 CG1 VAL A 53 2.085 11.692 -7.344 1.00 0.00 C ATOM 732 CG2 VAL A 53 2.987 13.825 -8.279 1.00 0.00 C ATOM 0 H VAL A 53 3.376 14.982 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 53 0.837 14.137 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 53 3.610 12.908 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.793 11.127 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.871 11.141 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.161 11.837 -7.905 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.695 13.260 -8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.064 13.970 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.417 14.795 -8.030 1.00 0.00 H new ATOM 742 N ASP A 54 0.155 13.334 -4.314 1.00 0.00 N ATOM 743 CA ASP A 54 -0.307 12.517 -3.156 1.00 0.00 C ATOM 744 C ASP A 54 -1.358 11.472 -3.586 1.00 0.00 C ATOM 745 O ASP A 54 -1.272 10.331 -3.178 1.00 0.00 O ATOM 746 CB ASP A 54 -0.887 13.444 -2.077 1.00 0.00 C ATOM 747 CG ASP A 54 0.228 14.331 -1.514 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.339 13.842 -1.381 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.049 15.482 -1.222 1.00 0.00 O ATOM 0 H ASP A 54 -0.415 14.152 -4.529 1.00 0.00 H new ATOM 0 HA ASP A 54 0.548 11.975 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.679 14.062 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.336 12.854 -1.278 1.00 0.00 H new ATOM 754 N PRO A 55 -2.328 11.878 -4.375 1.00 0.00 N ATOM 755 CA PRO A 55 -3.405 10.973 -4.837 1.00 0.00 C ATOM 756 C PRO A 55 -2.969 10.161 -6.066 1.00 0.00 C ATOM 757 O PRO A 55 -2.951 10.670 -7.170 1.00 0.00 O ATOM 758 CB PRO A 55 -4.527 11.935 -5.231 1.00 0.00 C ATOM 759 CG PRO A 55 -3.850 13.294 -5.536 1.00 0.00 C ATOM 760 CD PRO A 55 -2.458 13.259 -4.878 1.00 0.00 C ATOM 0 HA PRO A 55 -3.689 10.246 -4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.067 11.566 -6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.254 12.035 -4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.765 13.450 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.443 14.118 -5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.673 13.497 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.382 13.986 -4.069 1.00 0.00 H new ATOM 768 N VAL A 56 -2.617 8.911 -5.899 1.00 0.00 N ATOM 769 CA VAL A 56 -2.192 8.110 -7.071 1.00 0.00 C ATOM 770 C VAL A 56 -2.686 6.672 -6.951 1.00 0.00 C ATOM 771 O VAL A 56 -2.024 5.833 -6.374 1.00 0.00 O ATOM 772 CB VAL A 56 -0.688 8.072 -7.103 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.229 7.599 -8.486 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.129 9.468 -6.820 1.00 0.00 C ATOM 0 H VAL A 56 -2.608 8.419 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.605 8.564 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.322 7.384 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.860 7.569 -8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.625 6.602 -8.680 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.595 8.289 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.960 9.436 -6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.488 10.164 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.460 9.800 -5.836 1.00 0.00 H new ATOM 784 N MET A 57 -3.822 6.361 -7.496 1.00 0.00 N ATOM 785 CA MET A 57 -4.300 4.957 -7.402 1.00 0.00 C ATOM 786 C MET A 57 -4.967 4.530 -8.712 1.00 0.00 C ATOM 787 O MET A 57 -5.743 5.260 -9.296 1.00 0.00 O ATOM 788 CB MET A 57 -5.277 4.822 -6.234 1.00 0.00 C ATOM 789 CG MET A 57 -6.590 5.529 -6.579 1.00 0.00 C ATOM 790 SD MET A 57 -7.845 4.300 -7.014 1.00 0.00 S ATOM 791 CE MET A 57 -8.811 5.352 -8.125 1.00 0.00 C ATOM 0 H MET A 57 -4.434 7.006 -7.996 1.00 0.00 H new ATOM 0 HA MET A 57 -3.446 4.302 -7.226 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.464 3.769 -6.023 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.844 5.256 -5.333 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.928 6.124 -5.731 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.437 6.217 -7.410 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.782 4.893 -8.308 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.953 6.331 -7.667 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.280 5.467 -9.070 1.00 0.00 H new ATOM 801 N VAL A 58 -4.661 3.343 -9.177 1.00 0.00 N ATOM 802 CA VAL A 58 -5.272 2.861 -10.449 1.00 0.00 C ATOM 803 C VAL A 58 -5.810 1.433 -10.268 1.00 0.00 C ATOM 804 O VAL A 58 -5.345 0.673 -9.430 1.00 0.00 O ATOM 805 CB VAL A 58 -4.231 2.852 -11.575 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.870 3.388 -12.856 1.00 0.00 C ATOM 807 CG2 VAL A 58 -3.034 3.733 -11.200 1.00 0.00 C ATOM 0 H VAL A 58 -4.016 2.691 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.087 3.536 -10.710 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.884 1.830 -11.730 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.133 3.383 -13.659 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.714 2.756 -13.134 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.219 4.407 -12.690 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.303 3.717 -12.008 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.372 4.756 -11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.574 3.353 -10.288 1.00 0.00 H new ATOM 817 N ASP A 59 -6.779 1.068 -11.067 1.00 0.00 N ATOM 818 CA ASP A 59 -7.376 -0.289 -10.986 1.00 0.00 C ATOM 819 C ASP A 59 -7.221 -0.977 -12.351 1.00 0.00 C ATOM 820 O ASP A 59 -7.631 -0.449 -13.366 1.00 0.00 O ATOM 821 CB ASP A 59 -8.864 -0.133 -10.627 1.00 0.00 C ATOM 822 CG ASP A 59 -9.647 -1.423 -10.902 1.00 0.00 C ATOM 823 OD1 ASP A 59 -9.486 -1.989 -11.971 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.417 -1.812 -10.039 1.00 0.00 O ATOM 0 H ASP A 59 -7.186 1.668 -11.784 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.880 -0.895 -10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.959 0.134 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.295 0.685 -11.204 1.00 0.00 H new ATOM 829 N ASN A 60 -6.621 -2.138 -12.392 1.00 0.00 N ATOM 830 CA ASN A 60 -6.431 -2.830 -13.703 1.00 0.00 C ATOM 831 C ASN A 60 -7.641 -3.707 -14.046 1.00 0.00 C ATOM 832 O ASN A 60 -7.889 -3.993 -15.201 1.00 0.00 O ATOM 833 CB ASN A 60 -5.171 -3.699 -13.644 1.00 0.00 C ATOM 834 CG ASN A 60 -4.298 -3.415 -14.865 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.297 -2.733 -14.766 1.00 0.00 O ATOM 836 ND2 ASN A 60 -4.636 -3.912 -16.024 1.00 0.00 N ATOM 0 H ASN A 60 -6.256 -2.635 -11.580 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.326 -2.072 -14.479 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.615 -3.490 -12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.445 -4.754 -13.617 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.060 -3.728 -16.845 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.476 -4.485 -16.108 1.00 0.00 H new ATOM 843 N GLY A 61 -8.405 -4.134 -13.079 1.00 0.00 N ATOM 844 CA GLY A 61 -9.587 -4.975 -13.409 1.00 0.00 C ATOM 845 C GLY A 61 -9.191 -6.456 -13.430 1.00 0.00 C ATOM 846 O GLY A 61 -9.979 -7.309 -13.785 1.00 0.00 O ATOM 0 H GLY A 61 -8.264 -3.940 -12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.376 -4.812 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.990 -4.685 -14.379 1.00 0.00 H new ATOM 850 N ASP A 62 -7.979 -6.771 -13.054 1.00 0.00 N ATOM 851 CA ASP A 62 -7.547 -8.196 -13.053 1.00 0.00 C ATOM 852 C ASP A 62 -7.574 -8.728 -11.620 1.00 0.00 C ATOM 853 O ASP A 62 -6.906 -9.689 -11.290 1.00 0.00 O ATOM 854 CB ASP A 62 -6.123 -8.299 -13.602 1.00 0.00 C ATOM 855 CG ASP A 62 -5.148 -7.668 -12.606 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.611 -6.996 -11.700 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.955 -7.870 -12.766 1.00 0.00 O ATOM 0 H ASP A 62 -7.272 -6.102 -12.748 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.221 -8.782 -13.678 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.862 -9.343 -13.772 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.055 -7.793 -14.565 1.00 0.00 H new ATOM 862 N GLY A 63 -8.339 -8.109 -10.762 1.00 0.00 N ATOM 863 CA GLY A 63 -8.407 -8.576 -9.348 1.00 0.00 C ATOM 864 C GLY A 63 -7.260 -7.952 -8.549 1.00 0.00 C ATOM 865 O GLY A 63 -7.241 -7.981 -7.324 1.00 0.00 O ATOM 0 H GLY A 63 -8.920 -7.299 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.365 -8.298 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.342 -9.663 -9.309 1.00 0.00 H new ATOM 869 N THR A 64 -6.308 -7.378 -9.232 1.00 0.00 N ATOM 870 CA THR A 64 -5.165 -6.745 -8.531 1.00 0.00 C ATOM 871 C THR A 64 -5.121 -5.258 -8.897 1.00 0.00 C ATOM 872 O THR A 64 -5.296 -4.890 -10.041 1.00 0.00 O ATOM 873 CB THR A 64 -3.859 -7.419 -8.960 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.663 -7.222 -10.353 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.930 -8.918 -8.662 1.00 0.00 C ATOM 0 H THR A 64 -6.276 -7.322 -10.250 1.00 0.00 H new ATOM 0 HA THR A 64 -5.285 -6.857 -7.454 1.00 0.00 H new ATOM 0 HB THR A 64 -3.027 -6.981 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.340 -6.600 -10.694 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.999 -9.394 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.080 -9.070 -7.593 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.761 -9.359 -9.212 1.00 0.00 H new ATOM 883 N TYR A 65 -4.899 -4.398 -7.941 1.00 0.00 N ATOM 884 CA TYR A 65 -4.858 -2.944 -8.245 1.00 0.00 C ATOM 885 C TYR A 65 -3.528 -2.370 -7.772 1.00 0.00 C ATOM 886 O TYR A 65 -2.867 -2.937 -6.925 1.00 0.00 O ATOM 887 CB TYR A 65 -6.025 -2.265 -7.542 1.00 0.00 C ATOM 888 CG TYR A 65 -7.282 -3.020 -7.894 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.717 -3.067 -9.221 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.006 -3.679 -6.903 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.871 -3.768 -9.558 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.159 -4.379 -7.236 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.598 -4.426 -8.567 1.00 0.00 C ATOM 894 OH TYR A 65 -10.745 -5.117 -8.901 1.00 0.00 O ATOM 0 H TYR A 65 -4.744 -4.642 -6.963 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.944 -2.773 -9.318 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.871 -2.263 -6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.105 -1.224 -7.855 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.155 -2.557 -9.989 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.671 -3.646 -5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.203 -3.802 -10.585 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.720 -4.889 -6.467 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.142 -4.722 -9.705 1.00 0.00 H new ATOM 904 N ASP A 66 -3.104 -1.267 -8.327 1.00 0.00 N ATOM 905 CA ASP A 66 -1.791 -0.707 -7.908 1.00 0.00 C ATOM 906 C ASP A 66 -1.935 0.763 -7.537 1.00 0.00 C ATOM 907 O ASP A 66 -2.761 1.479 -8.070 1.00 0.00 O ATOM 908 CB ASP A 66 -0.791 -0.843 -9.058 1.00 0.00 C ATOM 909 CG ASP A 66 0.527 -0.168 -8.669 1.00 0.00 C ATOM 910 OD1 ASP A 66 1.369 -0.844 -8.100 1.00 0.00 O ATOM 911 OD2 ASP A 66 0.671 1.010 -8.947 1.00 0.00 O ATOM 0 H ASP A 66 -3.603 -0.737 -9.042 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.434 -1.258 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.620 -1.896 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.194 -0.385 -9.961 1.00 0.00 H new ATOM 916 N VAL A 67 -1.125 1.218 -6.628 1.00 0.00 N ATOM 917 CA VAL A 67 -1.189 2.643 -6.212 1.00 0.00 C ATOM 918 C VAL A 67 0.251 3.170 -6.070 1.00 0.00 C ATOM 919 O VAL A 67 1.139 2.430 -5.687 1.00 0.00 O ATOM 920 CB VAL A 67 -1.952 2.735 -4.887 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.157 1.792 -4.932 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.061 2.312 -3.745 1.00 0.00 C ATOM 0 H VAL A 67 -0.416 0.660 -6.152 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.712 3.250 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.277 3.765 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.703 1.854 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.814 2.080 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.813 0.769 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.613 2.381 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.735 1.283 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.190 2.966 -3.702 1.00 0.00 H new ATOM 932 N GLU A 68 0.518 4.419 -6.403 1.00 0.00 N ATOM 933 CA GLU A 68 1.939 4.902 -6.303 1.00 0.00 C ATOM 934 C GLU A 68 2.037 6.408 -6.048 1.00 0.00 C ATOM 935 O GLU A 68 1.622 7.207 -6.846 1.00 0.00 O ATOM 936 CB GLU A 68 2.663 4.641 -7.623 1.00 0.00 C ATOM 937 CG GLU A 68 2.069 3.420 -8.330 1.00 0.00 C ATOM 938 CD GLU A 68 0.737 3.802 -8.981 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.743 4.691 -9.816 1.00 0.00 O ATOM 940 OE2 GLU A 68 -0.264 3.198 -8.634 1.00 0.00 O ATOM 0 H GLU A 68 -0.163 5.104 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 68 2.384 4.363 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.583 5.516 -8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.725 4.479 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.763 3.052 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.917 2.611 -7.615 1.00 0.00 H new ATOM 947 N PHE A 69 2.681 6.804 -4.996 1.00 0.00 N ATOM 948 CA PHE A 69 2.878 8.265 -4.752 1.00 0.00 C ATOM 949 C PHE A 69 4.367 8.493 -4.460 1.00 0.00 C ATOM 950 O PHE A 69 5.077 7.585 -4.053 1.00 0.00 O ATOM 951 CB PHE A 69 2.014 8.779 -3.580 1.00 0.00 C ATOM 952 CG PHE A 69 2.549 8.253 -2.289 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.536 6.882 -2.037 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.042 9.143 -1.334 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.017 6.401 -0.821 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.528 8.661 -0.123 1.00 0.00 C ATOM 957 CZ PHE A 69 3.511 7.284 0.130 1.00 0.00 C ATOM 0 H PHE A 69 3.082 6.186 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 69 2.565 8.822 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.014 9.869 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.980 8.461 -3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.155 6.197 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.046 10.204 -1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.006 5.340 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.916 9.345 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.884 6.906 1.070 1.00 0.00 H new ATOM 967 N GLU A 70 4.863 9.677 -4.691 1.00 0.00 N ATOM 968 CA GLU A 70 6.310 9.934 -4.444 1.00 0.00 C ATOM 969 C GLU A 70 6.495 11.393 -3.984 1.00 0.00 C ATOM 970 O GLU A 70 6.374 12.306 -4.775 1.00 0.00 O ATOM 971 CB GLU A 70 7.083 9.697 -5.741 1.00 0.00 C ATOM 972 CG GLU A 70 8.494 10.274 -5.611 1.00 0.00 C ATOM 973 CD GLU A 70 9.445 9.511 -6.535 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.834 8.412 -6.175 1.00 0.00 O ATOM 975 OE2 GLU A 70 9.770 10.040 -7.585 1.00 0.00 O ATOM 0 H GLU A 70 4.331 10.475 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 70 6.683 9.264 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.134 8.630 -5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.563 10.166 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.490 11.333 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.835 10.199 -4.578 1.00 0.00 H new ATOM 982 N PRO A 71 6.765 11.565 -2.710 1.00 0.00 N ATOM 983 CA PRO A 71 6.952 12.902 -2.101 1.00 0.00 C ATOM 984 C PRO A 71 8.338 13.489 -2.417 1.00 0.00 C ATOM 985 O PRO A 71 8.989 13.102 -3.368 1.00 0.00 O ATOM 986 CB PRO A 71 6.811 12.631 -0.601 1.00 0.00 C ATOM 987 CG PRO A 71 7.128 11.131 -0.399 1.00 0.00 C ATOM 988 CD PRO A 71 6.907 10.446 -1.758 1.00 0.00 C ATOM 0 HA PRO A 71 6.238 13.632 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.497 13.254 -0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.804 12.865 -0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.155 10.995 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.480 10.698 0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.747 9.804 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.017 9.817 -1.747 1.00 0.00 H new ATOM 996 N LYS A 72 8.781 14.435 -1.622 1.00 0.00 N ATOM 997 CA LYS A 72 10.115 15.074 -1.862 1.00 0.00 C ATOM 998 C LYS A 72 10.789 15.419 -0.524 1.00 0.00 C ATOM 999 O LYS A 72 11.842 14.915 -0.209 1.00 0.00 O ATOM 1000 CB LYS A 72 9.934 16.353 -2.689 1.00 0.00 C ATOM 1001 CG LYS A 72 8.523 16.912 -2.480 1.00 0.00 C ATOM 1002 CD LYS A 72 8.510 18.411 -2.782 1.00 0.00 C ATOM 1003 CE LYS A 72 8.041 19.173 -1.542 1.00 0.00 C ATOM 1004 NZ LYS A 72 8.956 20.323 -1.290 1.00 0.00 N ATOM 0 H LYS A 72 8.273 14.794 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 72 10.747 14.373 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.676 17.095 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.098 16.140 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.817 16.395 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.200 16.736 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.507 18.744 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.848 18.618 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.021 19.530 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.027 18.509 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.638 20.842 -0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.922 19.971 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.947 20.960 -2.112 1.00 0.00 H new ATOM 1018 N GLU A 73 10.204 16.271 0.276 1.00 0.00 N ATOM 1019 CA GLU A 73 10.853 16.626 1.560 1.00 0.00 C ATOM 1020 C GLU A 73 10.424 15.624 2.634 1.00 0.00 C ATOM 1021 O GLU A 73 10.260 14.450 2.365 1.00 0.00 O ATOM 1022 CB GLU A 73 10.425 18.047 1.943 1.00 0.00 C ATOM 1023 CG GLU A 73 8.911 18.080 2.174 1.00 0.00 C ATOM 1024 CD GLU A 73 8.587 19.088 3.279 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.378 20.246 2.955 1.00 0.00 O ATOM 1026 OE2 GLU A 73 8.553 18.686 4.430 1.00 0.00 O ATOM 0 H GLU A 73 9.312 16.730 0.093 1.00 0.00 H new ATOM 0 HA GLU A 73 11.938 16.590 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.948 18.365 2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.698 18.746 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.397 18.356 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.553 17.089 2.454 1.00 0.00 H new ATOM 1033 N ALA A 74 10.244 16.065 3.843 1.00 0.00 N ATOM 1034 CA ALA A 74 9.829 15.123 4.919 1.00 0.00 C ATOM 1035 C ALA A 74 8.304 15.070 4.949 1.00 0.00 C ATOM 1036 O ALA A 74 7.638 16.085 4.935 1.00 0.00 O ATOM 1037 CB ALA A 74 10.370 15.608 6.264 1.00 0.00 C ATOM 0 H ALA A 74 10.365 17.035 4.135 1.00 0.00 H new ATOM 0 HA ALA A 74 10.228 14.127 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.065 14.917 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.458 15.653 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.973 16.600 6.479 1.00 0.00 H new ATOM 1043 N GLY A 75 7.742 13.895 4.948 1.00 0.00 N ATOM 1044 CA GLY A 75 6.261 13.791 4.930 1.00 0.00 C ATOM 1045 C GLY A 75 5.814 12.426 5.447 1.00 0.00 C ATOM 1046 O GLY A 75 6.562 11.471 5.456 1.00 0.00 O ATOM 0 H GLY A 75 8.243 13.007 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.828 14.579 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.892 13.940 3.915 1.00 0.00 H new ATOM 1050 N ASP A 76 4.585 12.332 5.863 1.00 0.00 N ATOM 1051 CA ASP A 76 4.052 11.038 6.365 1.00 0.00 C ATOM 1052 C ASP A 76 2.988 10.584 5.381 1.00 0.00 C ATOM 1053 O ASP A 76 2.435 11.375 4.643 1.00 0.00 O ATOM 1054 CB ASP A 76 3.430 11.228 7.752 1.00 0.00 C ATOM 1055 CG ASP A 76 2.424 12.381 7.709 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.932 12.673 6.632 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.161 12.951 8.756 1.00 0.00 O ATOM 0 H ASP A 76 3.919 13.105 5.877 1.00 0.00 H new ATOM 0 HA ASP A 76 4.848 10.298 6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.934 10.310 8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.209 11.438 8.485 1.00 0.00 H new ATOM 1062 N TYR A 77 2.720 9.319 5.325 1.00 0.00 N ATOM 1063 CA TYR A 77 1.723 8.842 4.340 1.00 0.00 C ATOM 1064 C TYR A 77 0.512 8.265 5.028 1.00 0.00 C ATOM 1065 O TYR A 77 0.600 7.383 5.858 1.00 0.00 O ATOM 1066 CB TYR A 77 2.295 7.723 3.486 1.00 0.00 C ATOM 1067 CG TYR A 77 3.724 7.989 3.134 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.136 9.282 2.823 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.626 6.924 3.068 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.454 9.516 2.435 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.945 7.154 2.687 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.364 8.453 2.365 1.00 0.00 C ATOM 1073 OH TYR A 77 7.668 8.683 1.979 1.00 0.00 O ATOM 0 H TYR A 77 3.142 8.599 5.912 1.00 0.00 H new ATOM 0 HA TYR A 77 1.455 9.707 3.733 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.220 6.777 4.023 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.706 7.620 2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.436 10.102 2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.300 5.924 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.774 10.517 2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.645 6.333 2.639 1.00 0.00 H new ATOM 0 HH TYR A 77 7.917 8.049 1.275 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.625 8.696 4.606 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.872 8.121 5.138 1.00 0.00 C ATOM 1085 C VAL A 78 -2.369 7.233 4.026 1.00 0.00 C ATOM 1086 O VAL A 78 -2.360 7.618 2.864 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.886 9.203 5.473 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.839 10.298 4.410 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.285 8.587 5.524 1.00 0.00 C ATOM 0 H VAL A 78 -0.748 9.430 3.908 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.713 7.577 6.069 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.648 9.639 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.567 11.072 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.841 10.735 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.076 9.870 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.015 9.360 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.525 8.150 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.313 7.811 6.289 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.714 6.028 4.331 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.103 5.122 3.232 1.00 0.00 C ATOM 1101 C ILE A 79 -4.572 4.740 3.321 1.00 0.00 C ATOM 1102 O ILE A 79 -5.199 4.824 4.350 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.138 3.933 3.305 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -2.448 2.888 2.257 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.198 3.294 4.688 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -1.282 2.780 1.279 1.00 0.00 C ATOM 0 H ILE A 79 -2.745 5.635 5.272 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.019 5.597 2.255 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.136 4.317 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.627 1.924 2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.360 3.154 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.509 2.450 4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.916 4.030 5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.212 2.944 4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.508 2.026 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.124 3.743 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.380 2.494 1.819 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.131 4.373 2.209 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.579 4.017 2.172 1.00 0.00 C ATOM 1120 C ASN A 80 -6.842 2.968 1.075 1.00 0.00 C ATOM 1121 O ASN A 80 -6.697 3.221 -0.100 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.391 5.275 1.890 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.842 6.440 2.715 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.440 6.841 3.694 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -5.721 7.004 2.360 1.00 0.00 N ATOM 0 H ASN A 80 -4.647 4.302 1.314 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.873 3.595 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.348 5.517 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.439 5.105 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.347 7.781 2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.219 6.668 1.538 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.240 1.794 1.480 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.542 0.690 0.519 1.00 0.00 C ATOM 1134 C LEU A 81 -8.854 0.066 0.980 1.00 0.00 C ATOM 1135 O LEU A 81 -8.977 -0.408 2.094 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.387 -0.328 0.529 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.817 -1.728 0.096 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.327 -2.499 1.304 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.901 -1.665 -0.963 1.00 0.00 C ATOM 0 H LEU A 81 -7.372 1.546 2.460 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.641 1.047 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.596 0.023 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.964 -0.379 1.532 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.952 -2.236 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.634 -3.498 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.534 -2.577 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.179 -1.975 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.187 -2.676 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.770 -1.142 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.526 -1.131 -1.836 1.00 0.00 H new ATOM 1151 N THR A 82 -9.852 0.124 0.153 1.00 0.00 N ATOM 1152 CA THR A 82 -11.188 -0.400 0.565 1.00 0.00 C ATOM 1153 C THR A 82 -11.759 -1.374 -0.458 1.00 0.00 C ATOM 1154 O THR A 82 -11.768 -1.118 -1.647 1.00 0.00 O ATOM 1155 CB THR A 82 -12.142 0.785 0.700 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.879 1.728 -0.329 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.950 1.441 2.061 1.00 0.00 C ATOM 0 H THR A 82 -9.807 0.510 -0.790 1.00 0.00 H new ATOM 0 HA THR A 82 -11.073 -0.935 1.508 1.00 0.00 H new ATOM 0 HB THR A 82 -13.170 0.435 0.611 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.349 1.303 -1.035 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.631 2.287 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.159 0.716 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.922 1.791 2.154 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.282 -2.473 0.010 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.912 -3.454 -0.929 1.00 0.00 C ATOM 1167 C LEU A 83 -14.183 -3.998 -0.280 1.00 0.00 C ATOM 1168 O LEU A 83 -14.200 -5.101 0.212 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.956 -4.616 -1.247 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.530 -5.495 -2.383 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.531 -6.499 -1.809 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.258 -4.625 -3.418 1.00 0.00 C ATOM 0 H LEU A 83 -12.303 -2.737 0.995 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.145 -2.948 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.982 -4.224 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.800 -5.221 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.701 -6.018 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.931 -7.115 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.030 -7.136 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.346 -5.963 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.656 -5.259 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -14.076 -4.092 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.559 -3.906 -3.845 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.227 -3.198 -0.269 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.539 -3.589 0.343 1.00 0.00 C ATOM 1186 C ASP A 84 -17.141 -2.358 1.012 1.00 0.00 C ATOM 1187 O ASP A 84 -18.339 -2.250 1.186 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.394 -4.715 1.376 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.406 -6.072 0.666 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.322 -6.082 -0.551 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.498 -7.076 1.351 1.00 0.00 O ATOM 0 H ASP A 84 -15.221 -2.261 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.186 -3.966 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.465 -4.593 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.208 -4.665 2.099 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.304 -1.430 1.400 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.807 -0.205 2.073 1.00 0.00 C ATOM 1198 C GLY A 85 -15.951 0.091 3.311 1.00 0.00 C ATOM 1199 O GLY A 85 -16.204 1.041 4.027 1.00 0.00 O ATOM 0 H GLY A 85 -15.292 -1.472 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.774 0.640 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.849 -0.339 2.363 1.00 0.00 H new ATOM 1203 N ASP A 86 -14.936 -0.700 3.579 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.095 -0.421 4.775 1.00 0.00 C ATOM 1205 C ASP A 86 -12.622 -0.472 4.370 1.00 0.00 C ATOM 1206 O ASP A 86 -12.292 -0.807 3.251 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.373 -1.467 5.856 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.782 -0.761 7.150 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -15.956 -0.465 7.294 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -13.912 -0.526 7.974 1.00 0.00 O ATOM 0 H ASP A 86 -14.662 -1.513 3.027 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.332 0.567 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.165 -2.141 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.485 -2.076 6.026 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.728 -0.141 5.262 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.287 -0.173 4.903 1.00 0.00 C ATOM 1217 C ASN A 87 -9.668 -1.487 5.385 1.00 0.00 C ATOM 1218 O ASN A 87 -10.087 -2.054 6.373 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.567 1.001 5.572 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.517 2.195 5.682 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.869 2.801 4.689 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.950 2.562 6.858 1.00 0.00 N ATOM 0 H ASN A 87 -11.934 0.148 6.218 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.183 -0.096 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.218 0.709 6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.686 1.277 4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.583 3.357 6.943 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.655 2.054 7.692 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.672 -1.976 4.697 1.00 0.00 N ATOM 1230 CA VAL A 88 -8.035 -3.253 5.127 1.00 0.00 C ATOM 1231 C VAL A 88 -7.314 -3.022 6.470 1.00 0.00 C ATOM 1232 O VAL A 88 -7.266 -1.916 6.969 1.00 0.00 O ATOM 1233 CB VAL A 88 -7.056 -3.710 4.029 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.875 -4.491 4.617 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.808 -4.610 3.045 1.00 0.00 C ATOM 0 H VAL A 88 -8.274 -1.549 3.861 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.780 -4.036 5.271 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.662 -2.826 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.205 -4.797 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.333 -3.857 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.246 -5.374 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.127 -4.941 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.202 -5.478 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.631 -4.053 2.598 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.785 -4.059 7.076 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.108 -3.896 8.404 1.00 0.00 C ATOM 1247 C ASN A 89 -4.709 -3.275 8.273 1.00 0.00 C ATOM 1248 O ASN A 89 -3.875 -3.429 9.143 1.00 0.00 O ATOM 1249 CB ASN A 89 -5.986 -5.265 9.074 1.00 0.00 C ATOM 1250 CG ASN A 89 -5.127 -6.185 8.202 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -4.964 -5.943 7.023 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -4.570 -7.237 8.735 1.00 0.00 N ATOM 0 H ASN A 89 -6.792 -5.011 6.709 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.716 -3.220 9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.538 -5.160 10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.975 -5.701 9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.997 -7.857 8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.707 -7.440 9.725 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.445 -2.564 7.218 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.103 -1.922 7.061 1.00 0.00 C ATOM 1261 C GLY A 90 -3.271 -0.613 6.287 1.00 0.00 C ATOM 1262 O GLY A 90 -2.367 -0.145 5.624 1.00 0.00 O ATOM 0 H GLY A 90 -5.098 -2.396 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.660 -1.729 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.425 -2.590 6.530 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.450 -0.053 6.328 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.725 1.191 5.553 1.00 0.00 C ATOM 1268 C PHE A 91 -5.210 2.376 6.408 1.00 0.00 C ATOM 1269 O PHE A 91 -4.929 3.494 6.061 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.737 0.841 4.496 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.958 0.425 3.287 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.431 -0.864 3.187 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.738 1.342 2.276 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.689 -1.223 2.056 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -4.000 0.993 1.147 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.474 -0.293 1.032 1.00 0.00 C ATOM 0 H PHE A 91 -5.239 -0.406 6.869 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.788 1.538 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.389 0.036 4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.376 1.695 4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.595 -1.580 3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.143 2.340 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.281 -2.220 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.836 1.717 0.363 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.904 -0.570 0.158 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.866 2.168 7.520 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.269 3.307 8.346 1.00 0.00 C ATOM 1288 C PRO A 92 -5.037 3.779 9.120 1.00 0.00 C ATOM 1289 O PRO A 92 -5.135 4.478 10.109 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.343 2.731 9.271 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.108 1.204 9.308 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.259 0.857 8.070 1.00 0.00 C ATOM 0 HA PRO A 92 -6.653 4.164 7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.267 3.161 10.270 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.341 2.962 8.899 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.593 0.914 10.224 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.056 0.666 9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.387 0.261 8.340 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.830 0.277 7.346 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.867 3.377 8.668 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.618 3.763 9.349 1.00 0.00 C ATOM 1302 C LYS A 93 -1.902 4.854 8.568 1.00 0.00 C ATOM 1303 O LYS A 93 -2.228 5.164 7.427 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.719 2.530 9.456 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.544 2.826 10.390 1.00 0.00 C ATOM 1306 CD LYS A 93 0.134 1.516 10.794 1.00 0.00 C ATOM 1307 CE LYS A 93 1.160 1.791 11.894 1.00 0.00 C ATOM 1308 NZ LYS A 93 2.319 2.532 11.320 1.00 0.00 N ATOM 0 H LYS A 93 -3.740 2.790 7.843 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.850 4.147 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.291 1.683 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.350 2.251 8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.173 3.480 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.895 3.354 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.611 0.802 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.623 1.066 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.703 2.373 12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.497 0.853 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.068 2.615 12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.686 2.017 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.013 3.482 11.027 1.00 0.00 H new ATOM 1322 N THR A 94 -0.916 5.422 9.184 1.00 0.00 N ATOM 1323 CA THR A 94 -0.133 6.483 8.528 1.00 0.00 C ATOM 1324 C THR A 94 1.335 6.120 8.609 1.00 0.00 C ATOM 1325 O THR A 94 1.855 5.812 9.663 1.00 0.00 O ATOM 1326 CB THR A 94 -0.375 7.803 9.253 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.766 8.091 9.251 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.389 8.918 8.547 1.00 0.00 C ATOM 0 H THR A 94 -0.616 5.190 10.131 1.00 0.00 H new ATOM 0 HA THR A 94 -0.432 6.584 7.485 1.00 0.00 H new ATOM 0 HB THR A 94 -0.025 7.728 10.283 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.925 8.938 9.718 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.216 9.862 9.065 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.455 8.690 8.554 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.043 9.001 7.517 1.00 0.00 H new ATOM 1336 N VAL A 95 2.016 6.165 7.509 1.00 0.00 N ATOM 1337 CA VAL A 95 3.459 5.831 7.546 1.00 0.00 C ATOM 1338 C VAL A 95 4.233 7.143 7.601 1.00 0.00 C ATOM 1339 O VAL A 95 3.733 8.177 7.205 1.00 0.00 O ATOM 1340 CB VAL A 95 3.839 4.988 6.325 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.330 5.086 6.042 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.515 3.526 6.610 1.00 0.00 C ATOM 0 H VAL A 95 1.643 6.416 6.593 1.00 0.00 H new ATOM 0 HA VAL A 95 3.703 5.233 8.424 1.00 0.00 H new ATOM 0 HB VAL A 95 3.280 5.359 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.576 4.479 5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.596 6.125 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.889 4.724 6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.783 2.919 5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.082 3.190 7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.449 3.422 6.810 1.00 0.00 H new ATOM 1352 N THR A 96 5.413 7.142 8.149 1.00 0.00 N ATOM 1353 CA THR A 96 6.137 8.435 8.280 1.00 0.00 C ATOM 1354 C THR A 96 7.492 8.438 7.571 1.00 0.00 C ATOM 1355 O THR A 96 8.256 7.494 7.619 1.00 0.00 O ATOM 1356 CB THR A 96 6.354 8.730 9.765 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.131 8.548 10.465 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.832 10.173 9.936 1.00 0.00 C ATOM 0 H THR A 96 5.901 6.320 8.506 1.00 0.00 H new ATOM 0 HA THR A 96 5.523 9.200 7.804 1.00 0.00 H new ATOM 0 HB THR A 96 7.107 8.051 10.165 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.268 8.735 11.417 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.986 10.382 10.995 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.770 10.312 9.398 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.081 10.855 9.537 1.00 0.00 H new ATOM 1366 N VAL A 97 7.791 9.549 6.961 1.00 0.00 N ATOM 1367 CA VAL A 97 9.094 9.755 6.270 1.00 0.00 C ATOM 1368 C VAL A 97 9.647 11.096 6.763 1.00 0.00 C ATOM 1369 O VAL A 97 8.940 12.083 6.805 1.00 0.00 O ATOM 1370 CB VAL A 97 8.888 9.782 4.749 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.004 10.566 4.097 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.966 8.369 4.185 1.00 0.00 C ATOM 0 H VAL A 97 7.163 10.351 6.911 1.00 0.00 H new ATOM 0 HA VAL A 97 9.790 8.945 6.490 1.00 0.00 H new ATOM 0 HB VAL A 97 7.915 10.231 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.854 10.583 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.003 11.587 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.960 10.094 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.819 8.399 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.945 7.943 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.191 7.752 4.640 1.00 0.00 H new ATOM 1382 N LYS A 98 10.885 11.140 7.167 1.00 0.00 N ATOM 1383 CA LYS A 98 11.427 12.429 7.690 1.00 0.00 C ATOM 1384 C LYS A 98 12.693 12.879 6.943 1.00 0.00 C ATOM 1385 O LYS A 98 12.676 13.909 6.299 1.00 0.00 O ATOM 1386 CB LYS A 98 11.731 12.283 9.182 1.00 0.00 C ATOM 1387 CG LYS A 98 10.683 13.048 9.991 1.00 0.00 C ATOM 1388 CD LYS A 98 11.380 14.053 10.909 1.00 0.00 C ATOM 1389 CE LYS A 98 11.540 13.443 12.302 1.00 0.00 C ATOM 1390 NZ LYS A 98 12.552 14.221 13.072 1.00 0.00 N ATOM 0 H LYS A 98 11.537 10.356 7.160 1.00 0.00 H new ATOM 0 HA LYS A 98 10.669 13.195 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.727 11.230 9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.727 12.667 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.998 13.567 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.086 12.353 10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.356 14.318 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.798 14.973 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.584 13.451 12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.851 12.401 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.661 13.806 14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.465 14.192 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.237 15.208 13.160 1.00 0.00 H new ATOM 1404 N PRO A 99 13.766 12.132 7.066 1.00 0.00 N ATOM 1405 CA PRO A 99 15.042 12.501 6.423 1.00 0.00 C ATOM 1406 C PRO A 99 15.018 12.250 4.913 1.00 0.00 C ATOM 1407 O PRO A 99 15.674 11.355 4.417 1.00 0.00 O ATOM 1408 CB PRO A 99 16.069 11.596 7.108 1.00 0.00 C ATOM 1409 CG PRO A 99 15.282 10.397 7.679 1.00 0.00 C ATOM 1410 CD PRO A 99 13.823 10.865 7.832 1.00 0.00 C ATOM 0 HA PRO A 99 15.263 13.563 6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.826 11.261 6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.590 12.132 7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.346 9.538 7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.692 10.086 8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.125 10.128 7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.562 11.020 8.879 1.00 0.00 H new ATOM 1418 N ALA A 100 14.296 13.047 4.169 1.00 0.00 N ATOM 1419 CA ALA A 100 14.284 12.850 2.693 1.00 0.00 C ATOM 1420 C ALA A 100 15.634 13.304 2.127 1.00 0.00 C ATOM 1421 O ALA A 100 16.282 12.568 1.409 1.00 0.00 O ATOM 1422 CB ALA A 100 13.159 13.669 2.051 1.00 0.00 C ATOM 0 H ALA A 100 13.722 13.816 4.516 1.00 0.00 H new ATOM 0 HA ALA A 100 14.115 11.796 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.165 13.513 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.199 13.351 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.311 14.727 2.265 1.00 0.00 H new TER 1428 ALA A 100