USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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 Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -145:sc= 0.0652 USER MOD Single : A 43 THR OG1 : rot 44:sc= 0.037 USER MOD Single : A 47 ASN :FLIP amide:sc= -1.13 F(o=-1.8,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -78:sc= 0.562 USER MOD Single : A 67 SER OG : rot -160:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 83:sc= 0.484 USER MOD Single : A 81 ASN : amide:sc= -0.379 K(o=-0.38,f=-5.1!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -131:sc= -0.075 (180deg=-0.42) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 0.874 -1.302 -4.556 1.00 0.00 N ATOM 20 CA ALA A 22 1.818 -2.436 -4.609 1.00 0.00 C ATOM 21 C ALA A 22 2.508 -2.510 -5.992 1.00 0.00 C ATOM 22 O ALA A 22 2.425 -1.558 -6.786 1.00 0.00 O ATOM 23 CB ALA A 22 1.070 -3.743 -4.287 1.00 0.00 C ATOM 0 HA ALA A 22 2.599 -2.288 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.767 -4.580 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.637 -3.678 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.276 -3.897 -5.018 1.00 0.00 H new ATOM 29 N ALA A 23 3.200 -3.638 -6.268 1.00 0.00 N ATOM 30 CA ALA A 23 3.853 -3.881 -7.566 1.00 0.00 C ATOM 31 C ALA A 23 2.802 -3.952 -8.692 1.00 0.00 C ATOM 32 O ALA A 23 1.787 -4.640 -8.558 1.00 0.00 O ATOM 33 CB ALA A 23 4.691 -5.163 -7.508 1.00 0.00 C ATOM 0 H ALA A 23 3.319 -4.399 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 23 4.523 -3.049 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.168 -5.330 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.456 -5.063 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.046 -6.009 -7.271 1.00 0.00 H new ATOM 39 N THR A 24 3.048 -3.210 -9.776 1.00 0.00 N ATOM 40 CA THR A 24 2.101 -3.058 -10.896 1.00 0.00 C ATOM 41 C THR A 24 2.249 -4.213 -11.903 1.00 0.00 C ATOM 42 O THR A 24 3.323 -4.791 -12.017 1.00 0.00 O ATOM 43 CB THR A 24 2.353 -1.687 -11.606 1.00 0.00 C ATOM 44 OG1 THR A 24 2.370 -0.640 -10.620 1.00 0.00 O ATOM 45 CG2 THR A 24 1.282 -1.353 -12.661 1.00 0.00 C ATOM 0 H THR A 24 3.917 -2.691 -9.906 1.00 0.00 H new ATOM 0 HA THR A 24 1.085 -3.084 -10.502 1.00 0.00 H new ATOM 0 HB THR A 24 3.311 -1.765 -12.121 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.529 0.221 -11.060 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.510 -0.391 -13.119 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.273 -2.127 -13.428 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.303 -1.304 -12.183 1.00 0.00 H new ATOM 53 N GLU A 25 1.152 -4.581 -12.587 1.00 0.00 N ATOM 54 CA GLU A 25 1.210 -5.527 -13.707 1.00 0.00 C ATOM 55 C GLU A 25 2.064 -4.922 -14.835 1.00 0.00 C ATOM 56 O GLU A 25 1.790 -3.805 -15.306 1.00 0.00 O ATOM 57 CB GLU A 25 -0.208 -5.873 -14.235 1.00 0.00 C ATOM 58 CG GLU A 25 -0.227 -6.906 -15.389 1.00 0.00 C ATOM 59 CD GLU A 25 -1.631 -7.144 -15.963 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.127 -6.262 -16.695 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.243 -8.198 -15.687 1.00 0.00 O ATOM 0 H GLU A 25 0.215 -4.235 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 25 1.663 -6.454 -13.355 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.806 -6.258 -13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.689 -4.956 -14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.431 -6.562 -16.187 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.176 -7.852 -15.028 1.00 0.00 H new ATOM 68 N LEU A 26 3.121 -5.637 -15.214 1.00 0.00 N ATOM 69 CA LEU A 26 4.015 -5.245 -16.302 1.00 0.00 C ATOM 70 C LEU A 26 3.500 -5.906 -17.591 1.00 0.00 C ATOM 71 O LEU A 26 3.319 -7.130 -17.618 1.00 0.00 O ATOM 72 CB LEU A 26 5.471 -5.694 -15.977 1.00 0.00 C ATOM 73 CG LEU A 26 6.605 -5.021 -16.804 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.656 -3.500 -16.540 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.973 -5.680 -16.516 1.00 0.00 C ATOM 0 H LEU A 26 3.384 -6.516 -14.769 1.00 0.00 H new ATOM 0 HA LEU A 26 4.028 -4.162 -16.428 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.659 -5.503 -14.921 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.536 -6.772 -16.122 1.00 0.00 H new ATOM 0 HG LEU A 26 6.380 -5.171 -17.860 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.457 -3.055 -17.130 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.704 -3.050 -16.822 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.843 -3.321 -15.481 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.745 -5.189 -17.108 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.209 -5.580 -15.457 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.931 -6.737 -16.780 1.00 0.00 H new ATOM 87 N THR A 27 3.234 -5.099 -18.632 1.00 0.00 N ATOM 88 CA THR A 27 2.711 -5.602 -19.912 1.00 0.00 C ATOM 89 C THR A 27 3.792 -6.420 -20.658 1.00 0.00 C ATOM 90 O THR A 27 4.978 -6.108 -20.518 1.00 0.00 O ATOM 91 CB THR A 27 2.186 -4.433 -20.820 1.00 0.00 C ATOM 92 OG1 THR A 27 3.182 -3.408 -20.929 1.00 0.00 O ATOM 93 CG2 THR A 27 0.877 -3.820 -20.290 1.00 0.00 C ATOM 0 H THR A 27 3.374 -4.089 -18.610 1.00 0.00 H new ATOM 0 HA THR A 27 1.867 -6.255 -19.689 1.00 0.00 H new ATOM 0 HB THR A 27 1.979 -4.861 -21.801 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.846 -2.685 -21.498 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.557 -3.017 -20.953 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.105 -4.588 -20.251 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.041 -3.420 -19.289 1.00 0.00 H new ATOM 101 N PRO A 28 3.387 -7.491 -21.435 1.00 0.00 N ATOM 102 CA PRO A 28 4.309 -8.360 -22.222 1.00 0.00 C ATOM 103 C PRO A 28 5.412 -7.608 -23.003 1.00 0.00 C ATOM 104 O PRO A 28 6.525 -8.119 -23.151 1.00 0.00 O ATOM 105 CB PRO A 28 3.347 -9.081 -23.195 1.00 0.00 C ATOM 106 CG PRO A 28 2.072 -9.219 -22.419 1.00 0.00 C ATOM 107 CD PRO A 28 1.976 -7.974 -21.555 1.00 0.00 C ATOM 0 HA PRO A 28 4.881 -9.014 -21.564 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.197 -8.504 -24.107 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.738 -10.053 -23.494 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.214 -9.298 -23.087 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.083 -10.120 -21.806 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.336 -7.220 -22.014 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.550 -8.201 -20.578 1.00 0.00 H new ATOM 115 N GLU A 29 5.079 -6.396 -23.475 1.00 0.00 N ATOM 116 CA GLU A 29 5.992 -5.547 -24.257 1.00 0.00 C ATOM 117 C GLU A 29 7.159 -5.032 -23.389 1.00 0.00 C ATOM 118 O GLU A 29 8.331 -5.117 -23.779 1.00 0.00 O ATOM 119 CB GLU A 29 5.210 -4.354 -24.877 1.00 0.00 C ATOM 120 CG GLU A 29 5.972 -3.585 -25.977 1.00 0.00 C ATOM 121 CD GLU A 29 6.358 -4.464 -27.182 1.00 0.00 C ATOM 122 OE1 GLU A 29 5.489 -4.729 -28.043 1.00 0.00 O ATOM 123 OE2 GLU A 29 7.524 -4.918 -27.264 1.00 0.00 O ATOM 0 H GLU A 29 4.162 -5.975 -23.324 1.00 0.00 H new ATOM 0 HA GLU A 29 6.415 -6.151 -25.059 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.275 -4.728 -25.295 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.947 -3.657 -24.081 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.355 -2.756 -26.324 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.876 -3.152 -25.548 1.00 0.00 H new ATOM 130 N GLN A 30 6.808 -4.505 -22.205 1.00 0.00 N ATOM 131 CA GLN A 30 7.780 -3.960 -21.239 1.00 0.00 C ATOM 132 C GLN A 30 8.593 -5.108 -20.596 1.00 0.00 C ATOM 133 O GLN A 30 9.800 -4.985 -20.356 1.00 0.00 O ATOM 134 CB GLN A 30 7.035 -3.140 -20.150 1.00 0.00 C ATOM 135 CG GLN A 30 6.060 -2.068 -20.684 1.00 0.00 C ATOM 136 CD GLN A 30 6.729 -0.975 -21.520 1.00 0.00 C ATOM 137 OE1 GLN A 30 6.871 -1.098 -22.740 1.00 0.00 O ATOM 138 NE2 GLN A 30 7.119 0.114 -20.875 1.00 0.00 N ATOM 0 H GLN A 30 5.840 -4.444 -21.888 1.00 0.00 H new ATOM 0 HA GLN A 30 8.473 -3.300 -21.761 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.479 -3.830 -19.516 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.775 -2.651 -19.516 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.296 -2.556 -21.289 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.550 -1.604 -19.840 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.987 0.184 -19.866 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.551 0.883 -21.387 1.00 0.00 H new ATOM 147 N ALA A 31 7.899 -6.238 -20.368 1.00 0.00 N ATOM 148 CA ALA A 31 8.467 -7.451 -19.744 1.00 0.00 C ATOM 149 C ALA A 31 9.442 -8.178 -20.692 1.00 0.00 C ATOM 150 O ALA A 31 10.313 -8.920 -20.236 1.00 0.00 O ATOM 151 CB ALA A 31 7.332 -8.390 -19.303 1.00 0.00 C ATOM 0 H ALA A 31 6.914 -6.337 -20.615 1.00 0.00 H new ATOM 0 HA ALA A 31 9.039 -7.146 -18.868 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.756 -9.283 -18.844 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.696 -7.878 -18.581 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.738 -8.676 -20.171 1.00 0.00 H new ATOM 157 N ALA A 32 9.271 -7.957 -22.010 1.00 0.00 N ATOM 158 CA ALA A 32 10.165 -8.507 -23.047 1.00 0.00 C ATOM 159 C ALA A 32 11.556 -7.853 -22.972 1.00 0.00 C ATOM 160 O ALA A 32 12.579 -8.522 -23.145 1.00 0.00 O ATOM 161 CB ALA A 32 9.550 -8.293 -24.437 1.00 0.00 C ATOM 0 H ALA A 32 8.509 -7.392 -22.385 1.00 0.00 H new ATOM 0 HA ALA A 32 10.282 -9.576 -22.871 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.216 -8.702 -25.197 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.586 -8.799 -24.490 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.411 -7.226 -24.613 1.00 0.00 H new ATOM 167 N ALA A 33 11.562 -6.537 -22.709 1.00 0.00 N ATOM 168 CA ALA A 33 12.793 -5.734 -22.629 1.00 0.00 C ATOM 169 C ALA A 33 13.491 -5.913 -21.271 1.00 0.00 C ATOM 170 O ALA A 33 14.722 -5.989 -21.203 1.00 0.00 O ATOM 171 CB ALA A 33 12.462 -4.258 -22.872 1.00 0.00 C ATOM 0 H ALA A 33 10.712 -5.998 -22.545 1.00 0.00 H new ATOM 0 HA ALA A 33 13.481 -6.081 -23.400 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.375 -3.666 -22.812 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.019 -4.143 -23.861 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.756 -3.914 -22.116 1.00 0.00 H new ATOM 177 N LEU A 34 12.686 -5.980 -20.194 1.00 0.00 N ATOM 178 CA LEU A 34 13.195 -6.113 -18.815 1.00 0.00 C ATOM 179 C LEU A 34 13.459 -7.587 -18.456 1.00 0.00 C ATOM 180 O LEU A 34 13.076 -8.504 -19.197 1.00 0.00 O ATOM 181 CB LEU A 34 12.205 -5.460 -17.810 1.00 0.00 C ATOM 182 CG LEU A 34 11.999 -3.916 -17.959 1.00 0.00 C ATOM 183 CD1 LEU A 34 10.972 -3.380 -16.936 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.345 -3.157 -17.861 1.00 0.00 C ATOM 0 H LEU A 34 11.668 -5.944 -20.254 1.00 0.00 H new ATOM 0 HA LEU A 34 14.148 -5.587 -18.751 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.236 -5.948 -17.915 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.557 -5.664 -16.799 1.00 0.00 H new ATOM 0 HG LEU A 34 11.591 -3.735 -18.953 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.854 -2.305 -17.068 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.012 -3.872 -17.092 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.325 -3.585 -15.925 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.168 -2.087 -17.968 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.804 -3.353 -16.892 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.012 -3.496 -18.654 1.00 0.00 H new ATOM 196 N LYS A 35 14.128 -7.793 -17.313 1.00 0.00 N ATOM 197 CA LYS A 35 14.507 -9.118 -16.809 1.00 0.00 C ATOM 198 C LYS A 35 14.092 -9.242 -15.322 1.00 0.00 C ATOM 199 O LYS A 35 14.284 -8.293 -14.558 1.00 0.00 O ATOM 200 CB LYS A 35 16.041 -9.285 -16.979 1.00 0.00 C ATOM 201 CG LYS A 35 16.601 -10.648 -16.532 1.00 0.00 C ATOM 202 CD LYS A 35 18.110 -10.788 -16.825 1.00 0.00 C ATOM 203 CE LYS A 35 18.965 -9.741 -16.091 1.00 0.00 C ATOM 204 NZ LYS A 35 20.416 -9.958 -16.318 1.00 0.00 N ATOM 0 H LYS A 35 14.425 -7.031 -16.704 1.00 0.00 H new ATOM 0 HA LYS A 35 13.999 -9.905 -17.367 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.294 -9.132 -18.028 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.542 -8.500 -16.412 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.428 -10.776 -15.464 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.059 -11.445 -17.041 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.440 -11.786 -16.535 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.276 -10.697 -17.898 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.689 -8.743 -16.431 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.754 -9.783 -15.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.959 -9.233 -15.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.685 -10.901 -15.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.622 -9.893 -17.335 1.00 0.00 H new ATOM 218 N PRO A 36 13.462 -10.382 -14.891 1.00 0.00 N ATOM 219 CA PRO A 36 13.134 -10.618 -13.468 1.00 0.00 C ATOM 220 C PRO A 36 14.367 -11.080 -12.660 1.00 0.00 C ATOM 221 O PRO A 36 15.254 -11.763 -13.189 1.00 0.00 O ATOM 222 CB PRO A 36 12.060 -11.720 -13.545 1.00 0.00 C ATOM 223 CG PRO A 36 12.437 -12.514 -14.758 1.00 0.00 C ATOM 224 CD PRO A 36 12.995 -11.508 -15.747 1.00 0.00 C ATOM 0 HA PRO A 36 12.794 -9.719 -12.954 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.059 -12.339 -12.648 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.060 -11.296 -13.641 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.178 -13.275 -14.513 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.572 -13.032 -15.172 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.813 -11.932 -16.329 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.234 -11.181 -16.456 1.00 0.00 H new ATOM 232 N TYR A 37 14.407 -10.690 -11.379 1.00 0.00 N ATOM 233 CA TYR A 37 15.480 -11.093 -10.441 1.00 0.00 C ATOM 234 C TYR A 37 15.036 -12.310 -9.610 1.00 0.00 C ATOM 235 O TYR A 37 15.865 -12.994 -8.997 1.00 0.00 O ATOM 236 CB TYR A 37 15.870 -9.906 -9.509 1.00 0.00 C ATOM 237 CG TYR A 37 14.781 -9.477 -8.501 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.683 -8.718 -8.913 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.848 -9.837 -7.148 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.705 -8.338 -8.019 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.867 -9.456 -6.256 1.00 0.00 C ATOM 242 CZ TYR A 37 12.802 -8.708 -6.695 1.00 0.00 C ATOM 243 OH TYR A 37 11.826 -8.327 -5.811 1.00 0.00 O ATOM 0 H TYR A 37 13.700 -10.087 -10.958 1.00 0.00 H new ATOM 0 HA TYR A 37 16.359 -11.373 -11.022 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.768 -10.180 -8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.127 -9.047 -10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.599 -8.424 -9.949 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.684 -10.424 -6.797 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.863 -7.751 -8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.936 -9.744 -5.218 1.00 0.00 H new ATOM 0 HH TYR A 37 12.229 -8.146 -4.936 1.00 0.00 H new ATOM 253 N ASP A 38 13.720 -12.554 -9.607 1.00 0.00 N ATOM 254 CA ASP A 38 13.071 -13.590 -8.802 1.00 0.00 C ATOM 255 C ASP A 38 11.704 -13.929 -9.442 1.00 0.00 C ATOM 256 O ASP A 38 11.293 -13.273 -10.415 1.00 0.00 O ATOM 257 CB ASP A 38 12.927 -13.081 -7.335 1.00 0.00 C ATOM 258 CG ASP A 38 12.362 -14.127 -6.369 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.078 -15.101 -6.063 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.194 -14.007 -5.949 1.00 0.00 O ATOM 0 H ASP A 38 13.063 -12.023 -10.179 1.00 0.00 H new ATOM 0 HA ASP A 38 13.667 -14.502 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.904 -12.758 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.279 -12.205 -7.327 1.00 0.00 H new ATOM 265 N ARG A 39 11.010 -14.944 -8.905 1.00 0.00 N ATOM 266 CA ARG A 39 9.713 -15.398 -9.412 1.00 0.00 C ATOM 267 C ARG A 39 8.856 -15.854 -8.222 1.00 0.00 C ATOM 268 O ARG A 39 9.277 -16.737 -7.467 1.00 0.00 O ATOM 269 CB ARG A 39 9.951 -16.575 -10.404 1.00 0.00 C ATOM 270 CG ARG A 39 8.794 -16.880 -11.373 1.00 0.00 C ATOM 271 CD ARG A 39 9.076 -18.134 -12.233 1.00 0.00 C ATOM 272 NE ARG A 39 8.495 -18.048 -13.584 1.00 0.00 N ATOM 273 CZ ARG A 39 8.256 -19.097 -14.385 1.00 0.00 C ATOM 274 NH1 ARG A 39 8.312 -20.339 -13.924 1.00 0.00 N ATOM 275 NH2 ARG A 39 7.932 -18.886 -15.647 1.00 0.00 N ATOM 0 H ARG A 39 11.339 -15.475 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 39 9.194 -14.595 -9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.843 -16.356 -10.991 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.163 -17.475 -9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.875 -17.028 -10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.631 -16.022 -12.025 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.154 -18.277 -12.315 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.676 -19.012 -11.727 1.00 0.00 H new ATOM 0 HE ARG A 39 8.257 -17.121 -13.937 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.540 -20.510 -12.945 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.127 -21.124 -14.549 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.866 -17.933 -16.004 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.748 -19.676 -16.265 1.00 0.00 H new ATOM 289 N ILE A 40 7.677 -15.243 -8.032 1.00 0.00 N ATOM 290 CA ILE A 40 6.721 -15.662 -6.985 1.00 0.00 C ATOM 291 C ILE A 40 5.754 -16.720 -7.550 1.00 0.00 C ATOM 292 O ILE A 40 5.460 -16.730 -8.746 1.00 0.00 O ATOM 293 CB ILE A 40 5.916 -14.445 -6.382 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.076 -13.716 -7.476 1.00 0.00 C ATOM 295 CG2 ILE A 40 6.869 -13.454 -5.663 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.315 -12.508 -6.971 1.00 0.00 C ATOM 0 H ILE A 40 7.358 -14.452 -8.591 1.00 0.00 H new ATOM 0 HA ILE A 40 7.299 -16.095 -6.169 1.00 0.00 H new ATOM 0 HB ILE A 40 5.219 -14.844 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.741 -13.402 -8.280 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.368 -14.424 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.291 -12.624 -5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.385 -13.969 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.601 -13.072 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.758 -12.059 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.622 -12.816 -6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.017 -11.778 -6.568 1.00 0.00 H new ATOM 308 N VAL A 41 5.273 -17.605 -6.670 1.00 0.00 N ATOM 309 CA VAL A 41 4.414 -18.736 -7.045 1.00 0.00 C ATOM 310 C VAL A 41 3.393 -19.011 -5.915 1.00 0.00 C ATOM 311 O VAL A 41 3.775 -19.301 -4.777 1.00 0.00 O ATOM 312 CB VAL A 41 5.296 -20.007 -7.386 1.00 0.00 C ATOM 313 CG1 VAL A 41 6.273 -20.382 -6.242 1.00 0.00 C ATOM 314 CG2 VAL A 41 4.421 -21.208 -7.796 1.00 0.00 C ATOM 0 H VAL A 41 5.470 -17.557 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 41 3.851 -18.490 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 41 5.912 -19.734 -8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.851 -21.260 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.949 -19.548 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.706 -20.602 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.059 -22.062 -8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.749 -21.465 -6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.836 -20.948 -8.678 1.00 0.00 H new ATOM 324 N ILE A 42 2.087 -18.868 -6.229 1.00 0.00 N ATOM 325 CA ILE A 42 0.983 -19.037 -5.248 1.00 0.00 C ATOM 326 C ILE A 42 -0.070 -20.031 -5.779 1.00 0.00 C ATOM 327 O ILE A 42 -0.206 -20.223 -6.992 1.00 0.00 O ATOM 328 CB ILE A 42 0.272 -17.665 -4.896 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.357 -17.015 -6.171 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.255 -16.694 -4.189 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.200 -15.780 -5.912 1.00 0.00 C ATOM 0 H ILE A 42 1.765 -18.632 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 42 1.436 -19.427 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.540 -17.875 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.446 -16.751 -6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.975 -17.760 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.742 -15.760 -3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.614 -17.148 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.101 -16.490 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.592 -15.402 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.028 -16.037 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.586 -15.012 -5.441 1.00 0.00 H new ATOM 343 N THR A 43 -0.797 -20.666 -4.839 1.00 0.00 N ATOM 344 CA THR A 43 -1.936 -21.558 -5.118 1.00 0.00 C ATOM 345 C THR A 43 -3.197 -20.970 -4.470 1.00 0.00 C ATOM 346 O THR A 43 -3.307 -20.919 -3.237 1.00 0.00 O ATOM 347 CB THR A 43 -1.678 -23.013 -4.580 1.00 0.00 C ATOM 348 OG1 THR A 43 -1.083 -22.966 -3.270 1.00 0.00 O ATOM 349 CG2 THR A 43 -0.780 -23.825 -5.521 1.00 0.00 C ATOM 0 H THR A 43 -0.603 -20.570 -3.842 1.00 0.00 H new ATOM 0 HA THR A 43 -2.067 -21.630 -6.198 1.00 0.00 H new ATOM 0 HB THR A 43 -2.647 -23.510 -4.527 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.545 -22.296 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.629 -24.823 -5.109 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.255 -23.904 -6.499 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.183 -23.326 -5.625 1.00 0.00 H new ATOM 357 N GLY A 44 -4.134 -20.511 -5.311 1.00 0.00 N ATOM 358 CA GLY A 44 -5.365 -19.889 -4.846 1.00 0.00 C ATOM 359 C GLY A 44 -6.545 -20.850 -4.887 1.00 0.00 C ATOM 360 O GLY A 44 -7.096 -21.101 -5.960 1.00 0.00 O ATOM 0 H GLY A 44 -4.054 -20.564 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.226 -19.530 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.586 -19.018 -5.463 1.00 0.00 H new ATOM 364 N ARG A 45 -6.925 -21.403 -3.719 1.00 0.00 N ATOM 365 CA ARG A 45 -8.087 -22.302 -3.590 1.00 0.00 C ATOM 366 C ARG A 45 -9.392 -21.478 -3.620 1.00 0.00 C ATOM 367 O ARG A 45 -9.775 -20.882 -2.605 1.00 0.00 O ATOM 368 CB ARG A 45 -8.019 -23.154 -2.285 1.00 0.00 C ATOM 369 CG ARG A 45 -6.930 -24.255 -2.237 1.00 0.00 C ATOM 370 CD ARG A 45 -5.493 -23.714 -2.205 1.00 0.00 C ATOM 371 NE ARG A 45 -5.246 -22.832 -1.050 1.00 0.00 N ATOM 372 CZ ARG A 45 -4.061 -22.647 -0.459 1.00 0.00 C ATOM 373 NH1 ARG A 45 -2.985 -23.307 -0.862 1.00 0.00 N ATOM 374 NH2 ARG A 45 -3.960 -21.801 0.545 1.00 0.00 N ATOM 0 H ARG A 45 -6.435 -21.239 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.071 -22.992 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.860 -22.479 -1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.990 -23.627 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.093 -24.874 -1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.044 -24.902 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.794 -24.550 -2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.294 -23.165 -3.126 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.044 -22.322 -0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.053 -23.969 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.089 -23.153 -0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.783 -21.292 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.059 -21.655 1.000 1.00 0.00 H new ATOM 388 N PHE A 46 -10.025 -21.427 -4.812 1.00 0.00 N ATOM 389 CA PHE A 46 -11.337 -20.780 -5.042 1.00 0.00 C ATOM 390 C PHE A 46 -11.264 -19.244 -4.843 1.00 0.00 C ATOM 391 O PHE A 46 -11.414 -18.748 -3.717 1.00 0.00 O ATOM 392 CB PHE A 46 -12.460 -21.406 -4.150 1.00 0.00 C ATOM 393 CG PHE A 46 -12.760 -22.883 -4.419 1.00 0.00 C ATOM 394 CD1 PHE A 46 -13.678 -23.259 -5.401 1.00 0.00 C ATOM 395 CD2 PHE A 46 -12.128 -23.897 -3.689 1.00 0.00 C ATOM 396 CE1 PHE A 46 -13.956 -24.593 -5.639 1.00 0.00 C ATOM 397 CE2 PHE A 46 -12.407 -25.229 -3.932 1.00 0.00 C ATOM 398 CZ PHE A 46 -13.320 -25.577 -4.907 1.00 0.00 C ATOM 0 H PHE A 46 -9.632 -21.842 -5.657 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.600 -20.967 -6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.175 -21.295 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -13.377 -20.834 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.178 -22.498 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.412 -23.635 -2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.673 -24.866 -6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -11.910 -25.998 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.537 -26.618 -5.097 1.00 0.00 H new ATOM 408 N ASN A 47 -11.010 -18.508 -5.942 1.00 0.00 N ATOM 409 CA ASN A 47 -10.956 -17.027 -5.941 1.00 0.00 C ATOM 410 C ASN A 47 -11.032 -16.474 -7.372 1.00 0.00 C ATOM 411 O ASN A 47 -10.842 -17.215 -8.347 1.00 0.00 O ATOM 412 CB ASN A 47 -9.671 -16.510 -5.222 1.00 0.00 C ATOM 413 CG ASN A 47 -8.374 -16.823 -5.971 1.00 0.00 C ATOM 414 OD1 ASN A 47 -7.881 -18.040 -5.818 1.00 0.00 O flip ATOM 415 ND2 ASN A 47 -7.829 -15.989 -6.693 1.00 0.00 N flip ATOM 0 H ASN A 47 -10.836 -18.921 -6.858 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.822 -16.665 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.750 -15.431 -5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.620 -16.952 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.233 -15.058 -6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.973 -16.229 -7.193 1.00 0.00 H new ATOM 422 N ALA A 48 -11.307 -15.164 -7.477 1.00 0.00 N ATOM 423 CA ALA A 48 -11.377 -14.442 -8.758 1.00 0.00 C ATOM 424 C ALA A 48 -9.992 -13.903 -9.149 1.00 0.00 C ATOM 425 O ALA A 48 -9.061 -13.905 -8.332 1.00 0.00 O ATOM 426 CB ALA A 48 -12.409 -13.302 -8.660 1.00 0.00 C ATOM 0 H ALA A 48 -11.489 -14.571 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.698 -15.132 -9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.456 -12.771 -9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.389 -13.718 -8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.112 -12.609 -7.872 1.00 0.00 H new ATOM 432 N ILE A 49 -9.870 -13.428 -10.406 1.00 0.00 N ATOM 433 CA ILE A 49 -8.599 -12.897 -10.945 1.00 0.00 C ATOM 434 C ILE A 49 -8.126 -11.672 -10.142 1.00 0.00 C ATOM 435 O ILE A 49 -6.936 -11.498 -9.942 1.00 0.00 O ATOM 436 CB ILE A 49 -8.697 -12.560 -12.488 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.301 -12.149 -13.093 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.758 -11.465 -12.762 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.197 -13.197 -12.955 1.00 0.00 C ATOM 0 H ILE A 49 -10.642 -13.401 -11.072 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.854 -13.685 -10.837 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.015 -13.474 -12.990 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.434 -11.922 -14.151 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.970 -11.230 -12.609 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.799 -11.258 -13.831 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.734 -11.811 -12.421 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.488 -10.555 -12.226 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.278 -12.818 -13.402 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.027 -13.409 -11.900 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.498 -14.112 -13.465 1.00 0.00 H new ATOM 451 N GLY A 50 -9.080 -10.861 -9.651 1.00 0.00 N ATOM 452 CA GLY A 50 -8.763 -9.691 -8.826 1.00 0.00 C ATOM 453 C GLY A 50 -8.065 -10.049 -7.516 1.00 0.00 C ATOM 454 O GLY A 50 -7.165 -9.332 -7.077 1.00 0.00 O ATOM 0 H GLY A 50 -10.077 -10.998 -9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.126 -9.014 -9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.683 -9.151 -8.604 1.00 0.00 H new ATOM 458 N ASP A 51 -8.482 -11.179 -6.919 1.00 0.00 N ATOM 459 CA ASP A 51 -7.906 -11.705 -5.661 1.00 0.00 C ATOM 460 C ASP A 51 -6.489 -12.250 -5.904 1.00 0.00 C ATOM 461 O ASP A 51 -5.572 -12.011 -5.103 1.00 0.00 O ATOM 462 CB ASP A 51 -8.814 -12.823 -5.092 1.00 0.00 C ATOM 463 CG ASP A 51 -8.362 -13.344 -3.708 1.00 0.00 C ATOM 464 OD1 ASP A 51 -7.491 -14.243 -3.640 1.00 0.00 O ATOM 465 OD2 ASP A 51 -8.884 -12.857 -2.679 1.00 0.00 O ATOM 0 H ASP A 51 -9.232 -11.759 -7.295 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.845 -10.891 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.834 -12.446 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.835 -13.656 -5.795 1.00 0.00 H new ATOM 470 N ALA A 52 -6.341 -13.010 -7.006 1.00 0.00 N ATOM 471 CA ALA A 52 -5.051 -13.577 -7.432 1.00 0.00 C ATOM 472 C ALA A 52 -4.017 -12.464 -7.666 1.00 0.00 C ATOM 473 O ALA A 52 -2.943 -12.481 -7.078 1.00 0.00 O ATOM 474 CB ALA A 52 -5.235 -14.417 -8.701 1.00 0.00 C ATOM 0 H ALA A 52 -7.115 -13.247 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.678 -14.223 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.274 -14.831 -9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.933 -15.230 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.629 -13.788 -9.499 1.00 0.00 H new ATOM 480 N VAL A 53 -4.396 -11.481 -8.496 1.00 0.00 N ATOM 481 CA VAL A 53 -3.568 -10.306 -8.841 1.00 0.00 C ATOM 482 C VAL A 53 -3.259 -9.453 -7.594 1.00 0.00 C ATOM 483 O VAL A 53 -2.183 -8.875 -7.498 1.00 0.00 O ATOM 484 CB VAL A 53 -4.270 -9.442 -9.964 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.547 -8.097 -10.230 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.388 -10.261 -11.275 1.00 0.00 C ATOM 0 H VAL A 53 -5.305 -11.477 -8.958 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.617 -10.666 -9.234 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.266 -9.195 -9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.075 -7.548 -11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.533 -7.504 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.524 -8.291 -10.552 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.873 -9.655 -12.040 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.393 -10.548 -11.616 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.981 -11.157 -11.092 1.00 0.00 H new ATOM 496 N SER A 54 -4.204 -9.409 -6.637 1.00 0.00 N ATOM 497 CA SER A 54 -4.022 -8.703 -5.352 1.00 0.00 C ATOM 498 C SER A 54 -2.907 -9.373 -4.517 1.00 0.00 C ATOM 499 O SER A 54 -2.066 -8.689 -3.924 1.00 0.00 O ATOM 500 CB SER A 54 -5.348 -8.676 -4.562 1.00 0.00 C ATOM 501 OG SER A 54 -5.210 -7.994 -3.329 1.00 0.00 O ATOM 0 H SER A 54 -5.114 -9.860 -6.731 1.00 0.00 H new ATOM 0 HA SER A 54 -3.722 -7.676 -5.561 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.119 -8.191 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.682 -9.697 -4.378 1.00 0.00 H new ATOM 0 HG SER A 54 -6.069 -7.995 -2.857 1.00 0.00 H new ATOM 507 N ALA A 55 -2.906 -10.716 -4.500 1.00 0.00 N ATOM 508 CA ALA A 55 -1.892 -11.514 -3.785 1.00 0.00 C ATOM 509 C ALA A 55 -0.519 -11.406 -4.477 1.00 0.00 C ATOM 510 O ALA A 55 0.512 -11.270 -3.816 1.00 0.00 O ATOM 511 CB ALA A 55 -2.347 -12.981 -3.696 1.00 0.00 C ATOM 0 H ALA A 55 -3.607 -11.280 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.786 -11.119 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.593 -13.564 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.293 -13.036 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.477 -13.383 -4.701 1.00 0.00 H new ATOM 517 N VAL A 56 -0.541 -11.437 -5.822 1.00 0.00 N ATOM 518 CA VAL A 56 0.663 -11.375 -6.670 1.00 0.00 C ATOM 519 C VAL A 56 1.334 -9.982 -6.580 1.00 0.00 C ATOM 520 O VAL A 56 2.551 -9.889 -6.487 1.00 0.00 O ATOM 521 CB VAL A 56 0.312 -11.735 -8.170 1.00 0.00 C ATOM 522 CG1 VAL A 56 1.502 -11.510 -9.118 1.00 0.00 C ATOM 523 CG2 VAL A 56 -0.172 -13.198 -8.292 1.00 0.00 C ATOM 0 H VAL A 56 -1.407 -11.507 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 56 1.374 -12.114 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.491 -11.061 -8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.211 -11.771 -10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.801 -10.463 -9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.338 -12.137 -8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.406 -13.418 -9.334 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.613 -13.871 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.064 -13.338 -7.682 1.00 0.00 H new ATOM 533 N SER A 57 0.520 -8.919 -6.565 1.00 0.00 N ATOM 534 CA SER A 57 1.005 -7.523 -6.529 1.00 0.00 C ATOM 535 C SER A 57 1.644 -7.201 -5.177 1.00 0.00 C ATOM 536 O SER A 57 2.735 -6.619 -5.114 1.00 0.00 O ATOM 537 CB SER A 57 -0.150 -6.543 -6.817 1.00 0.00 C ATOM 538 OG SER A 57 -1.222 -6.719 -5.905 1.00 0.00 O ATOM 0 H SER A 57 -0.497 -8.997 -6.577 1.00 0.00 H new ATOM 0 HA SER A 57 1.764 -7.410 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.217 -5.519 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.509 -6.692 -7.835 1.00 0.00 H new ATOM 0 HG SER A 57 -1.743 -7.508 -6.161 1.00 0.00 H new ATOM 544 N ARG A 58 0.934 -7.589 -4.098 1.00 0.00 N ATOM 545 CA ARG A 58 1.392 -7.380 -2.723 1.00 0.00 C ATOM 546 C ARG A 58 2.703 -8.132 -2.484 1.00 0.00 C ATOM 547 O ARG A 58 3.678 -7.542 -2.028 1.00 0.00 O ATOM 548 CB ARG A 58 0.327 -7.849 -1.698 1.00 0.00 C ATOM 549 CG ARG A 58 0.728 -7.615 -0.221 1.00 0.00 C ATOM 550 CD ARG A 58 -0.327 -8.110 0.779 1.00 0.00 C ATOM 551 NE ARG A 58 0.114 -7.913 2.177 1.00 0.00 N ATOM 552 CZ ARG A 58 -0.664 -7.495 3.190 1.00 0.00 C ATOM 553 NH1 ARG A 58 -1.930 -7.140 2.987 1.00 0.00 N ATOM 554 NH2 ARG A 58 -0.159 -7.404 4.410 1.00 0.00 N ATOM 0 H ARG A 58 0.029 -8.055 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 58 1.555 -6.311 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.609 -7.326 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.137 -8.912 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.672 -8.122 -0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.898 -6.550 -0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.264 -7.578 0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.526 -9.167 0.605 1.00 0.00 H new ATOM 0 HE ARG A 58 1.092 -8.111 2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.327 -7.182 2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.503 -6.826 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.816 -7.651 4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.745 -7.087 5.182 1.00 0.00 H new ATOM 568 N ARG A 59 2.714 -9.432 -2.847 1.00 0.00 N ATOM 569 CA ARG A 59 3.864 -10.316 -2.601 1.00 0.00 C ATOM 570 C ARG A 59 5.092 -9.861 -3.396 1.00 0.00 C ATOM 571 O ARG A 59 6.183 -9.815 -2.845 1.00 0.00 O ATOM 572 CB ARG A 59 3.515 -11.797 -2.896 1.00 0.00 C ATOM 573 CG ARG A 59 4.634 -12.817 -2.548 1.00 0.00 C ATOM 574 CD ARG A 59 5.170 -12.666 -1.106 1.00 0.00 C ATOM 575 NE ARG A 59 4.104 -12.762 -0.085 1.00 0.00 N ATOM 576 CZ ARG A 59 4.148 -13.522 1.020 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.186 -14.320 1.264 1.00 0.00 N ATOM 578 NH2 ARG A 59 3.144 -13.489 1.877 1.00 0.00 N ATOM 0 H ARG A 59 1.932 -9.891 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 59 4.112 -10.246 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.617 -12.061 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.272 -11.894 -3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.249 -13.828 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.459 -12.695 -3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.917 -13.437 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.674 -11.704 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 59 3.264 -12.203 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.964 -14.360 0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.203 -14.891 2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.340 -12.888 1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.173 -14.065 2.718 1.00 0.00 H new ATOM 592 N ALA A 60 4.885 -9.484 -4.672 1.00 0.00 N ATOM 593 CA ALA A 60 5.961 -8.953 -5.539 1.00 0.00 C ATOM 594 C ALA A 60 6.616 -7.720 -4.887 1.00 0.00 C ATOM 595 O ALA A 60 7.842 -7.618 -4.800 1.00 0.00 O ATOM 596 CB ALA A 60 5.406 -8.606 -6.929 1.00 0.00 C ATOM 0 H ALA A 60 3.976 -9.537 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 60 6.725 -9.722 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.209 -8.217 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.990 -9.502 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.625 -7.852 -6.831 1.00 0.00 H new ATOM 602 N ASP A 61 5.760 -6.822 -4.373 1.00 0.00 N ATOM 603 CA ASP A 61 6.181 -5.600 -3.660 1.00 0.00 C ATOM 604 C ASP A 61 6.918 -5.958 -2.341 1.00 0.00 C ATOM 605 O ASP A 61 7.860 -5.261 -1.941 1.00 0.00 O ATOM 606 CB ASP A 61 4.934 -4.716 -3.381 1.00 0.00 C ATOM 607 CG ASP A 61 5.269 -3.328 -2.795 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.328 -3.186 -1.548 1.00 0.00 O ATOM 609 OD2 ASP A 61 5.434 -2.360 -3.578 1.00 0.00 O ATOM 0 H ASP A 61 4.747 -6.923 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 61 6.880 -5.042 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.380 -4.583 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.275 -5.242 -2.690 1.00 0.00 H new ATOM 614 N GLU A 62 6.490 -7.063 -1.685 1.00 0.00 N ATOM 615 CA GLU A 62 7.124 -7.584 -0.445 1.00 0.00 C ATOM 616 C GLU A 62 8.542 -8.124 -0.726 1.00 0.00 C ATOM 617 O GLU A 62 9.409 -8.078 0.157 1.00 0.00 O ATOM 618 CB GLU A 62 6.249 -8.696 0.215 1.00 0.00 C ATOM 619 CG GLU A 62 4.915 -8.204 0.818 1.00 0.00 C ATOM 620 CD GLU A 62 4.047 -9.348 1.383 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.287 -9.773 2.534 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.134 -9.831 0.684 1.00 0.00 O ATOM 0 H GLU A 62 5.695 -7.620 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 62 7.204 -6.749 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.033 -9.459 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.831 -9.176 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.125 -7.488 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.351 -7.673 0.052 1.00 0.00 H new ATOM 629 N GLU A 63 8.766 -8.642 -1.954 1.00 0.00 N ATOM 630 CA GLU A 63 10.095 -9.135 -2.391 1.00 0.00 C ATOM 631 C GLU A 63 11.028 -7.952 -2.729 1.00 0.00 C ATOM 632 O GLU A 63 12.246 -8.126 -2.833 1.00 0.00 O ATOM 633 CB GLU A 63 9.967 -10.080 -3.631 1.00 0.00 C ATOM 634 CG GLU A 63 8.861 -11.155 -3.555 1.00 0.00 C ATOM 635 CD GLU A 63 8.913 -12.076 -2.316 1.00 0.00 C ATOM 636 OE1 GLU A 63 8.474 -11.661 -1.218 1.00 0.00 O ATOM 637 OE2 GLU A 63 9.359 -13.233 -2.437 1.00 0.00 O ATOM 0 H GLU A 63 8.040 -8.731 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 63 10.525 -9.704 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.788 -9.466 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.923 -10.582 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.892 -10.656 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.919 -11.775 -4.450 1.00 0.00 H new ATOM 644 N GLY A 64 10.435 -6.761 -2.925 1.00 0.00 N ATOM 645 CA GLY A 64 11.184 -5.547 -3.271 1.00 0.00 C ATOM 646 C GLY A 64 11.106 -5.216 -4.758 1.00 0.00 C ATOM 647 O GLY A 64 11.954 -4.487 -5.282 1.00 0.00 O ATOM 0 H GLY A 64 9.428 -6.617 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.795 -4.708 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.228 -5.674 -2.985 1.00 0.00 H new ATOM 651 N ALA A 65 10.081 -5.768 -5.436 1.00 0.00 N ATOM 652 CA ALA A 65 9.848 -5.556 -6.875 1.00 0.00 C ATOM 653 C ALA A 65 8.931 -4.351 -7.125 1.00 0.00 C ATOM 654 O ALA A 65 8.080 -4.010 -6.292 1.00 0.00 O ATOM 655 CB ALA A 65 9.263 -6.824 -7.530 1.00 0.00 C ATOM 0 H ALA A 65 9.389 -6.376 -4.997 1.00 0.00 H new ATOM 0 HA ALA A 65 10.813 -5.343 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.100 -6.643 -8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.961 -7.652 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.315 -7.075 -7.055 1.00 0.00 H new ATOM 661 N ALA A 66 9.133 -3.724 -8.290 1.00 0.00 N ATOM 662 CA ALA A 66 8.346 -2.577 -8.769 1.00 0.00 C ATOM 663 C ALA A 66 7.126 -3.058 -9.573 1.00 0.00 C ATOM 664 O ALA A 66 6.089 -2.384 -9.626 1.00 0.00 O ATOM 665 CB ALA A 66 9.242 -1.683 -9.643 1.00 0.00 C ATOM 0 H ALA A 66 9.865 -4.005 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 66 7.984 -2.006 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.666 -0.830 -10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.087 -1.327 -9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.609 -2.257 -10.494 1.00 0.00 H new ATOM 671 N SER A 67 7.280 -4.229 -10.208 1.00 0.00 N ATOM 672 CA SER A 67 6.263 -4.829 -11.075 1.00 0.00 C ATOM 673 C SER A 67 6.322 -6.365 -11.002 1.00 0.00 C ATOM 674 O SER A 67 7.276 -6.940 -10.467 1.00 0.00 O ATOM 675 CB SER A 67 6.451 -4.334 -12.537 1.00 0.00 C ATOM 676 OG SER A 67 6.228 -2.933 -12.642 1.00 0.00 O ATOM 0 H SER A 67 8.127 -4.791 -10.131 1.00 0.00 H new ATOM 0 HA SER A 67 5.278 -4.517 -10.728 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.460 -4.570 -12.876 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.762 -4.864 -13.194 1.00 0.00 H new ATOM 0 HG SER A 67 6.038 -2.701 -13.575 1.00 0.00 H new ATOM 682 N PHE A 68 5.263 -7.010 -11.512 1.00 0.00 N ATOM 683 CA PHE A 68 5.190 -8.470 -11.690 1.00 0.00 C ATOM 684 C PHE A 68 4.786 -8.782 -13.138 1.00 0.00 C ATOM 685 O PHE A 68 4.503 -7.870 -13.910 1.00 0.00 O ATOM 686 CB PHE A 68 4.179 -9.096 -10.686 1.00 0.00 C ATOM 687 CG PHE A 68 2.712 -8.665 -10.865 1.00 0.00 C ATOM 688 CD1 PHE A 68 1.863 -9.336 -11.759 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.171 -7.624 -10.115 1.00 0.00 C ATOM 690 CE1 PHE A 68 0.537 -8.968 -11.897 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.843 -7.259 -10.261 1.00 0.00 C ATOM 692 CZ PHE A 68 0.028 -7.936 -11.143 1.00 0.00 C ATOM 0 H PHE A 68 4.419 -6.526 -11.818 1.00 0.00 H new ATOM 0 HA PHE A 68 6.168 -8.907 -11.489 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.233 -10.181 -10.772 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.493 -8.840 -9.674 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.252 -10.153 -12.349 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.795 -7.094 -9.410 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.099 -9.491 -12.596 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.444 -6.440 -9.681 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.010 -7.656 -11.242 1.00 0.00 H new ATOM 702 N TYR A 69 4.715 -10.074 -13.472 1.00 0.00 N ATOM 703 CA TYR A 69 4.310 -10.539 -14.802 1.00 0.00 C ATOM 704 C TYR A 69 3.826 -11.987 -14.700 1.00 0.00 C ATOM 705 O TYR A 69 4.649 -12.912 -14.620 1.00 0.00 O ATOM 706 CB TYR A 69 5.497 -10.414 -15.796 1.00 0.00 C ATOM 707 CG TYR A 69 5.206 -10.875 -17.228 1.00 0.00 C ATOM 708 CD1 TYR A 69 4.359 -10.143 -18.056 1.00 0.00 C ATOM 709 CD2 TYR A 69 5.788 -12.037 -17.761 1.00 0.00 C ATOM 710 CE1 TYR A 69 4.106 -10.539 -19.353 1.00 0.00 C ATOM 711 CE2 TYR A 69 5.533 -12.436 -19.059 1.00 0.00 C ATOM 712 CZ TYR A 69 4.689 -11.685 -19.849 1.00 0.00 C ATOM 713 OH TYR A 69 4.438 -12.076 -21.148 1.00 0.00 O ATOM 0 H TYR A 69 4.938 -10.830 -12.825 1.00 0.00 H new ATOM 0 HA TYR A 69 3.495 -9.921 -15.178 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.816 -9.372 -15.825 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.335 -10.993 -15.409 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.891 -9.247 -17.675 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.447 -12.630 -17.144 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.451 -9.951 -19.979 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.992 -13.331 -19.452 1.00 0.00 H new ATOM 0 HH TYR A 69 4.926 -12.903 -21.341 1.00 0.00 H new ATOM 723 N VAL A 70 2.490 -12.173 -14.655 1.00 0.00 N ATOM 724 CA VAL A 70 1.871 -13.507 -14.603 1.00 0.00 C ATOM 725 C VAL A 70 2.198 -14.261 -15.904 1.00 0.00 C ATOM 726 O VAL A 70 1.609 -14.005 -16.958 1.00 0.00 O ATOM 727 CB VAL A 70 0.315 -13.441 -14.365 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.296 -14.865 -14.286 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.023 -12.617 -13.095 1.00 0.00 C ATOM 0 H VAL A 70 1.817 -11.406 -14.654 1.00 0.00 H new ATOM 0 HA VAL A 70 2.286 -14.043 -13.749 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.132 -12.932 -15.219 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.371 -14.791 -14.121 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.108 -15.394 -15.220 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.161 -15.412 -13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.104 -12.589 -12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.442 -13.081 -12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.355 -11.601 -13.209 1.00 0.00 H new ATOM 739 N VAL A 71 3.170 -15.169 -15.800 1.00 0.00 N ATOM 740 CA VAL A 71 3.783 -15.841 -16.955 1.00 0.00 C ATOM 741 C VAL A 71 3.008 -17.119 -17.296 1.00 0.00 C ATOM 742 O VAL A 71 2.860 -17.482 -18.466 1.00 0.00 O ATOM 743 CB VAL A 71 5.292 -16.158 -16.649 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.442 -16.959 -15.330 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.994 -16.871 -17.838 1.00 0.00 C ATOM 0 H VAL A 71 3.560 -15.464 -14.905 1.00 0.00 H new ATOM 0 HA VAL A 71 3.740 -15.180 -17.821 1.00 0.00 H new ATOM 0 HB VAL A 71 5.800 -15.203 -16.514 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.497 -17.163 -15.146 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.035 -16.377 -14.503 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.900 -17.901 -15.413 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.034 -17.070 -17.580 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.486 -17.812 -18.049 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.954 -16.232 -18.720 1.00 0.00 H new ATOM 755 N ASP A 72 2.489 -17.770 -16.252 1.00 0.00 N ATOM 756 CA ASP A 72 1.765 -19.033 -16.365 1.00 0.00 C ATOM 757 C ASP A 72 0.711 -19.111 -15.263 1.00 0.00 C ATOM 758 O ASP A 72 0.902 -18.594 -14.150 1.00 0.00 O ATOM 759 CB ASP A 72 2.754 -20.229 -16.261 1.00 0.00 C ATOM 760 CG ASP A 72 2.075 -21.612 -16.376 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.644 -22.175 -15.340 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.960 -22.142 -17.501 1.00 0.00 O ATOM 0 H ASP A 72 2.562 -17.428 -15.294 1.00 0.00 H new ATOM 0 HA ASP A 72 1.271 -19.083 -17.335 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.505 -20.137 -17.046 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.280 -20.171 -15.308 1.00 0.00 H new ATOM 767 N THR A 73 -0.405 -19.749 -15.594 1.00 0.00 N ATOM 768 CA THR A 73 -1.462 -20.070 -14.650 1.00 0.00 C ATOM 769 C THR A 73 -2.037 -21.447 -15.020 1.00 0.00 C ATOM 770 O THR A 73 -2.534 -21.639 -16.135 1.00 0.00 O ATOM 771 CB THR A 73 -2.581 -18.977 -14.654 1.00 0.00 C ATOM 772 OG1 THR A 73 -1.994 -17.666 -14.520 1.00 0.00 O ATOM 773 CG2 THR A 73 -3.577 -19.187 -13.512 1.00 0.00 C ATOM 0 H THR A 73 -0.602 -20.063 -16.544 1.00 0.00 H new ATOM 0 HA THR A 73 -1.053 -20.097 -13.640 1.00 0.00 H new ATOM 0 HB THR A 73 -3.112 -19.059 -15.602 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.702 -16.988 -14.525 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.340 -18.409 -13.547 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.050 -20.164 -13.617 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.052 -19.138 -12.558 1.00 0.00 H new ATOM 781 N SER A 74 -1.920 -22.413 -14.091 1.00 0.00 N ATOM 782 CA SER A 74 -2.375 -23.801 -14.288 1.00 0.00 C ATOM 783 C SER A 74 -3.223 -24.235 -13.088 1.00 0.00 C ATOM 784 O SER A 74 -2.764 -24.161 -11.942 1.00 0.00 O ATOM 785 CB SER A 74 -1.156 -24.736 -14.459 1.00 0.00 C ATOM 786 OG SER A 74 -0.376 -24.346 -15.576 1.00 0.00 O ATOM 0 H SER A 74 -1.503 -22.250 -13.174 1.00 0.00 H new ATOM 0 HA SER A 74 -2.984 -23.861 -15.190 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.545 -24.713 -13.557 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.495 -25.764 -14.588 1.00 0.00 H new ATOM 0 HG SER A 74 0.230 -23.621 -15.315 1.00 0.00 H new ATOM 792 N GLU A 75 -4.456 -24.678 -13.360 1.00 0.00 N ATOM 793 CA GLU A 75 -5.426 -25.066 -12.322 1.00 0.00 C ATOM 794 C GLU A 75 -5.392 -26.589 -12.073 1.00 0.00 C ATOM 795 O GLU A 75 -4.972 -27.369 -12.940 1.00 0.00 O ATOM 796 CB GLU A 75 -6.847 -24.597 -12.748 1.00 0.00 C ATOM 797 CG GLU A 75 -7.959 -24.825 -11.703 1.00 0.00 C ATOM 798 CD GLU A 75 -9.314 -24.245 -12.123 1.00 0.00 C ATOM 799 OE1 GLU A 75 -10.063 -24.932 -12.845 1.00 0.00 O ATOM 800 OE2 GLU A 75 -9.625 -23.091 -11.753 1.00 0.00 O ATOM 0 H GLU A 75 -4.813 -24.779 -14.310 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.159 -24.581 -11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.805 -23.533 -12.983 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.123 -25.116 -13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.069 -25.895 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.657 -24.376 -10.757 1.00 0.00 H new ATOM 866 N ASN A 81 -8.724 -24.729 -7.141 1.00 0.00 N ATOM 867 CA ASN A 81 -7.348 -24.367 -6.776 1.00 0.00 C ATOM 868 C ASN A 81 -6.541 -24.108 -8.050 1.00 0.00 C ATOM 869 O ASN A 81 -6.141 -25.052 -8.728 1.00 0.00 O ATOM 870 CB ASN A 81 -6.677 -25.485 -5.929 1.00 0.00 C ATOM 871 CG ASN A 81 -5.214 -25.170 -5.554 1.00 0.00 C ATOM 872 OD1 ASN A 81 -4.834 -24.009 -5.385 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.390 -26.199 -5.430 1.00 0.00 N ATOM 0 HA ASN A 81 -7.373 -23.463 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.254 -25.636 -5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.709 -26.422 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.411 -26.043 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.734 -27.148 -5.576 1.00 0.00 H new ATOM 880 N TRP A 82 -6.325 -22.831 -8.377 1.00 0.00 N ATOM 881 CA TRP A 82 -5.580 -22.418 -9.573 1.00 0.00 C ATOM 882 C TRP A 82 -4.269 -21.728 -9.167 1.00 0.00 C ATOM 883 O TRP A 82 -4.264 -20.757 -8.396 1.00 0.00 O ATOM 884 CB TRP A 82 -6.461 -21.544 -10.521 1.00 0.00 C ATOM 885 CG TRP A 82 -7.061 -20.280 -9.938 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.819 -20.152 -8.815 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.984 -18.978 -10.506 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.200 -18.847 -8.647 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.698 -18.107 -9.673 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.359 -18.471 -11.627 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.811 -16.753 -9.947 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -6.473 -17.132 -11.909 1.00 0.00 C ATOM 893 CH2 TRP A 82 -7.193 -16.284 -11.070 1.00 0.00 C ATOM 0 H TRP A 82 -6.664 -22.049 -7.817 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.314 -23.305 -10.148 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.855 -21.264 -11.383 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.276 -22.165 -10.893 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.082 -20.963 -8.152 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.767 -18.489 -7.879 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.787 -19.119 -12.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.367 -16.094 -9.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.999 -16.731 -12.792 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.264 -15.234 -11.313 1.00 0.00 H new ATOM 904 N ARG A 83 -3.160 -22.280 -9.679 1.00 0.00 N ATOM 905 CA ARG A 83 -1.800 -21.853 -9.362 1.00 0.00 C ATOM 906 C ARG A 83 -1.401 -20.709 -10.302 1.00 0.00 C ATOM 907 O ARG A 83 -1.290 -20.907 -11.514 1.00 0.00 O ATOM 908 CB ARG A 83 -0.840 -23.084 -9.485 1.00 0.00 C ATOM 909 CG ARG A 83 0.595 -22.920 -8.906 1.00 0.00 C ATOM 910 CD ARG A 83 1.521 -22.001 -9.724 1.00 0.00 C ATOM 911 NE ARG A 83 1.656 -22.410 -11.138 1.00 0.00 N ATOM 912 CZ ARG A 83 2.700 -23.076 -11.656 1.00 0.00 C ATOM 913 NH1 ARG A 83 3.682 -23.530 -10.879 1.00 0.00 N ATOM 914 NH2 ARG A 83 2.744 -23.319 -12.952 1.00 0.00 N ATOM 0 H ARG A 83 -3.190 -23.055 -10.341 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.735 -21.479 -8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.311 -23.932 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.752 -23.341 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.520 -22.527 -7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.057 -23.905 -8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.137 -20.982 -9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.508 -21.988 -9.262 1.00 0.00 H new ATOM 0 HE ARG A 83 0.894 -22.166 -11.771 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.649 -23.374 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.467 -24.034 -11.291 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.986 -23.001 -13.556 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.536 -23.825 -13.349 1.00 0.00 H new ATOM 928 N VAL A 84 -1.169 -19.529 -9.721 1.00 0.00 N ATOM 929 CA VAL A 84 -0.703 -18.337 -10.443 1.00 0.00 C ATOM 930 C VAL A 84 0.794 -18.134 -10.141 1.00 0.00 C ATOM 931 O VAL A 84 1.170 -17.892 -8.990 1.00 0.00 O ATOM 932 CB VAL A 84 -1.525 -17.054 -10.015 1.00 0.00 C ATOM 933 CG1 VAL A 84 -1.099 -15.806 -10.826 1.00 0.00 C ATOM 934 CG2 VAL A 84 -3.049 -17.303 -10.132 1.00 0.00 C ATOM 0 H VAL A 84 -1.301 -19.370 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.854 -18.484 -11.513 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.297 -16.855 -8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.685 -14.945 -10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.040 -15.607 -10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.271 -15.986 -11.887 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.589 -16.405 -9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.299 -17.549 -11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.333 -18.131 -9.483 1.00 0.00 H new ATOM 944 N VAL A 85 1.649 -18.284 -11.166 1.00 0.00 N ATOM 945 CA VAL A 85 3.096 -17.991 -11.054 1.00 0.00 C ATOM 946 C VAL A 85 3.415 -16.731 -11.875 1.00 0.00 C ATOM 947 O VAL A 85 2.899 -16.547 -12.990 1.00 0.00 O ATOM 948 CB VAL A 85 3.996 -19.219 -11.484 1.00 0.00 C ATOM 949 CG1 VAL A 85 3.818 -19.598 -12.962 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.493 -18.992 -11.142 1.00 0.00 C ATOM 0 H VAL A 85 1.365 -18.609 -12.090 1.00 0.00 H new ATOM 0 HA VAL A 85 3.335 -17.807 -10.006 1.00 0.00 H new ATOM 0 HB VAL A 85 3.645 -20.066 -10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.460 -20.446 -13.200 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.778 -19.867 -13.146 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.090 -18.750 -13.590 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.073 -19.860 -11.455 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.855 -18.106 -11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.603 -18.850 -10.067 1.00 0.00 H new ATOM 960 N ALA A 86 4.253 -15.855 -11.304 1.00 0.00 N ATOM 961 CA ALA A 86 4.570 -14.546 -11.877 1.00 0.00 C ATOM 962 C ALA A 86 6.034 -14.182 -11.626 1.00 0.00 C ATOM 963 O ALA A 86 6.503 -14.232 -10.486 1.00 0.00 O ATOM 964 CB ALA A 86 3.650 -13.462 -11.287 1.00 0.00 C ATOM 0 H ALA A 86 4.733 -16.040 -10.423 1.00 0.00 H new ATOM 0 HA ALA A 86 4.406 -14.601 -12.953 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.900 -12.495 -11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.611 -13.704 -11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.786 -13.418 -10.206 1.00 0.00 H new ATOM 970 N ASP A 87 6.746 -13.820 -12.699 1.00 0.00 N ATOM 971 CA ASP A 87 8.107 -13.261 -12.612 1.00 0.00 C ATOM 972 C ASP A 87 8.038 -11.819 -12.077 1.00 0.00 C ATOM 973 O ASP A 87 7.165 -11.051 -12.489 1.00 0.00 O ATOM 974 CB ASP A 87 8.783 -13.302 -14.004 1.00 0.00 C ATOM 975 CG ASP A 87 9.125 -14.734 -14.478 1.00 0.00 C ATOM 976 OD1 ASP A 87 10.217 -15.251 -14.137 1.00 0.00 O ATOM 977 OD2 ASP A 87 8.308 -15.352 -15.180 1.00 0.00 O ATOM 0 H ASP A 87 6.398 -13.905 -13.654 1.00 0.00 H new ATOM 0 HA ASP A 87 8.705 -13.859 -11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.123 -12.833 -14.734 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.697 -12.709 -13.974 1.00 0.00 H new ATOM 982 N VAL A 88 8.950 -11.459 -11.150 1.00 0.00 N ATOM 983 CA VAL A 88 8.934 -10.141 -10.474 1.00 0.00 C ATOM 984 C VAL A 88 10.179 -9.314 -10.860 1.00 0.00 C ATOM 985 O VAL A 88 11.313 -9.815 -10.864 1.00 0.00 O ATOM 986 CB VAL A 88 8.788 -10.289 -8.907 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.506 -11.080 -8.560 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.026 -10.939 -8.237 1.00 0.00 C ATOM 0 H VAL A 88 9.713 -12.066 -10.850 1.00 0.00 H new ATOM 0 HA VAL A 88 8.054 -9.598 -10.820 1.00 0.00 H new ATOM 0 HB VAL A 88 8.714 -9.279 -8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.418 -11.174 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.636 -10.552 -8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.559 -12.073 -9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.862 -11.012 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.181 -11.936 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.907 -10.327 -8.429 1.00 0.00 H new ATOM 998 N TYR A 89 9.936 -8.041 -11.214 1.00 0.00 N ATOM 999 CA TYR A 89 10.933 -7.117 -11.778 1.00 0.00 C ATOM 1000 C TYR A 89 11.059 -5.921 -10.826 1.00 0.00 C ATOM 1001 O TYR A 89 10.064 -5.235 -10.581 1.00 0.00 O ATOM 1002 CB TYR A 89 10.453 -6.604 -13.179 1.00 0.00 C ATOM 1003 CG TYR A 89 10.137 -7.684 -14.237 1.00 0.00 C ATOM 1004 CD1 TYR A 89 9.053 -8.549 -14.086 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.894 -7.807 -15.407 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.749 -9.498 -15.040 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.589 -8.760 -16.363 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.514 -9.600 -16.177 1.00 0.00 C ATOM 1009 OH TYR A 89 9.210 -10.549 -17.132 1.00 0.00 O ATOM 0 H TYR A 89 9.015 -7.615 -11.113 1.00 0.00 H new ATOM 0 HA TYR A 89 11.890 -7.626 -11.895 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.559 -5.998 -13.032 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.222 -5.945 -13.583 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.438 -8.474 -13.202 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.733 -7.146 -15.567 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.909 -10.161 -14.893 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.193 -8.845 -17.254 1.00 0.00 H new ATOM 0 HH TYR A 89 9.849 -10.485 -17.872 1.00 0.00 H new ATOM 1019 N LYS A 90 12.261 -5.670 -10.274 1.00 0.00 N ATOM 1020 CA LYS A 90 12.506 -4.486 -9.415 1.00 0.00 C ATOM 1021 C LYS A 90 12.857 -3.270 -10.291 1.00 0.00 C ATOM 1022 O LYS A 90 13.063 -3.411 -11.503 1.00 0.00 O ATOM 1023 CB LYS A 90 13.619 -4.770 -8.348 1.00 0.00 C ATOM 1024 CG LYS A 90 15.090 -4.621 -8.819 1.00 0.00 C ATOM 1025 CD LYS A 90 15.510 -5.619 -9.926 1.00 0.00 C ATOM 1026 CE LYS A 90 16.918 -5.324 -10.463 1.00 0.00 C ATOM 1027 NZ LYS A 90 17.004 -3.958 -11.043 1.00 0.00 N ATOM 0 H LYS A 90 13.078 -6.267 -10.404 1.00 0.00 H new ATOM 0 HA LYS A 90 11.593 -4.262 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.462 -4.097 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.482 -5.785 -7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.240 -3.606 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.749 -4.751 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.478 -6.634 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.793 -5.574 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.645 -5.425 -9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.181 -6.060 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.447 -4.007 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.048 -3.558 -11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.577 -3.352 -10.421 1.00 0.00 H new ATOM 1041 N ALA A 91 12.898 -2.078 -9.682 1.00 0.00 N ATOM 1042 CA ALA A 91 13.332 -0.852 -10.362 1.00 0.00 C ATOM 1043 C ALA A 91 14.879 -0.758 -10.285 1.00 0.00 C ATOM 1044 O ALA A 91 15.410 -0.207 -9.298 1.00 0.00 O ATOM 1045 CB ALA A 91 12.629 0.374 -9.737 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.565 -1.275 -11.201 1.00 0.00 O ATOM 0 H ALA A 91 12.632 -1.937 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 91 13.049 -0.873 -11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.956 1.280 -10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.549 0.268 -9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.885 0.440 -8.680 1.00 0.00 H new