USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 22 THR OG1 : rot -77:sc= 0.151 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.166 K(o=-0.015,f=-1.1) USER MOD Set 2.1: A 7 THR OG1 : rot -94:sc= 1.51 USER MOD Set 2.2: A 9 THR OG1 : rot -33:sc= 0.128 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -164:sc= 0.0555 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= -0.395 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0994) USER MOD Single : A 14 THR OG1 : rot -81:sc= 1.72 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -2.16! (180deg=-2.79!) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0307) USER MOD Single : A 31 GLN : amide:sc= -0.715 K(o=-0.72,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.981 K(o=-0.98,f=-0.018) USER MOD Single : A 41 GLN : amide:sc= -1.41 X(o=-1.4,f=-0.93) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0984 K(o=-0.098,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 57 SER OG : rot 180:sc= -0.296 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.65! K(o=-2.6!,f=-0.55) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.233 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.437 -12.762 2.817 1.00 0.00 N ATOM 38 CA ILE A 3 74.474 -12.634 1.721 1.00 0.00 C ATOM 39 C ILE A 3 75.021 -11.664 0.676 1.00 0.00 C ATOM 40 O ILE A 3 76.051 -11.028 0.902 1.00 0.00 O ATOM 41 CB ILE A 3 73.142 -12.088 2.254 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.389 -10.837 3.101 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.455 -13.145 3.118 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.190 -9.894 2.968 1.00 0.00 C ATOM 0 HA ILE A 3 74.313 -13.615 1.274 1.00 0.00 H new ATOM 0 HB ILE A 3 72.505 -11.835 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.535 -11.113 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.300 -10.335 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.510 -12.751 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.264 -14.036 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 3 73.099 -13.403 3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.361 -9.001 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.065 -9.609 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.289 -10.399 3.316 1.00 0.00 H new ATOM 56 N PHE A 4 74.346 -11.567 -0.467 1.00 0.00 N ATOM 57 CA PHE A 4 74.801 -10.679 -1.536 1.00 0.00 C ATOM 58 C PHE A 4 73.838 -9.518 -1.757 1.00 0.00 C ATOM 59 O PHE A 4 72.620 -9.695 -1.771 1.00 0.00 O ATOM 60 CB PHE A 4 74.940 -11.470 -2.839 1.00 0.00 C ATOM 61 CG PHE A 4 76.111 -12.419 -2.732 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.888 -13.798 -2.646 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.418 -11.919 -2.717 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.973 -14.677 -2.547 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.503 -12.799 -2.617 1.00 0.00 C ATOM 66 CZ PHE A 4 78.281 -14.177 -2.532 1.00 0.00 C ATOM 0 H PHE A 4 73.493 -12.085 -0.676 1.00 0.00 H new ATOM 0 HA PHE A 4 75.765 -10.269 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.024 -12.027 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.087 -10.788 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.879 -14.184 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.590 -10.855 -2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.801 -15.741 -2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.512 -12.413 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 4 79.118 -14.855 -2.455 1.00 0.00 H new ATOM 76 N VAL A 5 74.404 -8.330 -1.951 1.00 0.00 N ATOM 77 CA VAL A 5 73.613 -7.131 -2.202 1.00 0.00 C ATOM 78 C VAL A 5 74.069 -6.490 -3.508 1.00 0.00 C ATOM 79 O VAL A 5 75.258 -6.254 -3.702 1.00 0.00 O ATOM 80 CB VAL A 5 73.778 -6.135 -1.052 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.939 -4.887 -1.333 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.307 -6.782 0.253 1.00 0.00 C ATOM 0 H VAL A 5 75.412 -8.173 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 5 72.561 -7.407 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 5 74.827 -5.854 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 5 73.056 -4.178 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.272 -4.426 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.889 -5.167 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.424 -6.074 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.257 -7.062 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.904 -7.672 0.454 1.00 0.00 H new ATOM 92 N LYS A 6 73.127 -6.226 -4.407 1.00 0.00 N ATOM 93 CA LYS A 6 73.472 -5.632 -5.695 1.00 0.00 C ATOM 94 C LYS A 6 73.266 -4.120 -5.678 1.00 0.00 C ATOM 95 O LYS A 6 72.277 -3.622 -5.139 1.00 0.00 O ATOM 96 CB LYS A 6 72.609 -6.248 -6.800 1.00 0.00 C ATOM 97 CG LYS A 6 73.505 -6.756 -7.935 1.00 0.00 C ATOM 98 CD LYS A 6 74.354 -7.931 -7.443 1.00 0.00 C ATOM 99 CE LYS A 6 74.119 -9.145 -8.345 1.00 0.00 C ATOM 100 NZ LYS A 6 74.888 -10.308 -7.821 1.00 0.00 N ATOM 0 H LYS A 6 72.133 -6.410 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 6 74.525 -5.837 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.017 -7.069 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 6 71.907 -5.507 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 6 72.893 -7.068 -8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.151 -5.952 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 6 75.409 -7.659 -7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 6 74.094 -8.175 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.056 -9.384 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 6 74.430 -8.919 -9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 74.954 -11.040 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 75.844 -9.999 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 74.403 -10.697 -6.987 1.00 0.00 H new ATOM 114 N THR A 7 74.209 -3.401 -6.281 1.00 0.00 N ATOM 115 CA THR A 7 74.132 -1.946 -6.342 1.00 0.00 C ATOM 116 C THR A 7 73.787 -1.489 -7.756 1.00 0.00 C ATOM 117 O THR A 7 73.711 -2.301 -8.679 1.00 0.00 O ATOM 118 CB THR A 7 75.470 -1.334 -5.920 1.00 0.00 C ATOM 119 OG1 THR A 7 76.515 -1.910 -6.691 1.00 0.00 O ATOM 120 CG2 THR A 7 75.715 -1.612 -4.436 1.00 0.00 C ATOM 0 H THR A 7 75.032 -3.801 -6.732 1.00 0.00 H new ATOM 0 HA THR A 7 73.349 -1.613 -5.661 1.00 0.00 H new ATOM 0 HB THR A 7 75.446 -0.257 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.899 -2.670 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 7 76.668 -1.176 -4.137 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.912 -1.170 -3.846 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.740 -2.688 -4.267 1.00 0.00 H new ATOM 128 N LEU A 8 73.579 -0.187 -7.919 1.00 0.00 N ATOM 129 CA LEU A 8 73.244 0.364 -9.228 1.00 0.00 C ATOM 130 C LEU A 8 74.454 0.309 -10.155 1.00 0.00 C ATOM 131 O LEU A 8 74.323 0.454 -11.371 1.00 0.00 O ATOM 132 CB LEU A 8 72.773 1.812 -9.081 1.00 0.00 C ATOM 133 CG LEU A 8 71.506 1.853 -8.227 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.454 3.172 -7.453 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.276 1.747 -9.134 1.00 0.00 C ATOM 0 H LEU A 8 73.636 0.502 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 8 72.442 -0.234 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 8 73.555 2.415 -8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 8 72.576 2.243 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 8 71.515 1.019 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 8 70.550 3.201 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 8 72.329 3.250 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 8 71.445 4.006 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.372 1.776 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 8 70.268 2.581 -9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.311 0.808 -9.687 1.00 0.00 H new ATOM 147 N THR A 9 75.630 0.102 -9.574 1.00 0.00 N ATOM 148 CA THR A 9 76.858 0.030 -10.356 1.00 0.00 C ATOM 149 C THR A 9 77.159 -1.411 -10.752 1.00 0.00 C ATOM 150 O THR A 9 78.115 -1.681 -11.478 1.00 0.00 O ATOM 151 CB THR A 9 78.028 0.593 -9.547 1.00 0.00 C ATOM 152 OG1 THR A 9 78.305 -0.273 -8.455 1.00 0.00 O ATOM 153 CG2 THR A 9 77.664 1.982 -9.021 1.00 0.00 C ATOM 0 H THR A 9 75.759 -0.018 -8.569 1.00 0.00 H new ATOM 0 HA THR A 9 76.723 0.623 -11.261 1.00 0.00 H new ATOM 0 HB THR A 9 78.909 0.668 -10.184 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.471 -0.680 -8.141 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.498 2.383 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.451 2.644 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 9 76.783 1.910 -8.383 1.00 0.00 H new ATOM 161 N GLY A 10 76.334 -2.336 -10.269 1.00 0.00 N ATOM 162 CA GLY A 10 76.522 -3.748 -10.580 1.00 0.00 C ATOM 163 C GLY A 10 77.466 -4.405 -9.579 1.00 0.00 C ATOM 164 O GLY A 10 77.690 -5.616 -9.623 1.00 0.00 O ATOM 0 H GLY A 10 75.536 -2.135 -9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.559 -4.259 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 10 76.924 -3.852 -11.588 1.00 0.00 H new ATOM 168 N LYS A 11 78.017 -3.600 -8.676 1.00 0.00 N ATOM 169 CA LYS A 11 78.937 -4.114 -7.668 1.00 0.00 C ATOM 170 C LYS A 11 78.178 -4.894 -6.597 1.00 0.00 C ATOM 171 O LYS A 11 77.282 -4.358 -5.946 1.00 0.00 O ATOM 172 CB LYS A 11 79.697 -2.957 -7.017 1.00 0.00 C ATOM 173 CG LYS A 11 80.857 -3.511 -6.186 1.00 0.00 C ATOM 174 CD LYS A 11 81.580 -2.360 -5.486 1.00 0.00 C ATOM 175 CE LYS A 11 82.639 -2.923 -4.536 1.00 0.00 C ATOM 176 NZ LYS A 11 83.758 -3.505 -5.329 1.00 0.00 N ATOM 0 H LYS A 11 77.844 -2.596 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 11 79.644 -4.784 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 11 80.075 -2.280 -7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 11 79.026 -2.378 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.483 -4.221 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.551 -4.054 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 11 82.048 -1.709 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.866 -1.752 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 11 83.013 -2.135 -3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.199 -3.686 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 84.557 -3.718 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.438 -4.381 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 84.061 -2.823 -6.054 1.00 0.00 H new ATOM 190 N THR A 12 78.542 -6.159 -6.423 1.00 0.00 N ATOM 191 CA THR A 12 77.887 -7.002 -5.429 1.00 0.00 C ATOM 192 C THR A 12 78.577 -6.865 -4.073 1.00 0.00 C ATOM 193 O THR A 12 79.757 -7.191 -3.937 1.00 0.00 O ATOM 194 CB THR A 12 77.926 -8.465 -5.877 1.00 0.00 C ATOM 195 OG1 THR A 12 77.566 -8.550 -7.248 1.00 0.00 O ATOM 196 CG2 THR A 12 76.945 -9.285 -5.037 1.00 0.00 C ATOM 0 H THR A 12 79.281 -6.621 -6.952 1.00 0.00 H new ATOM 0 HA THR A 12 76.850 -6.679 -5.332 1.00 0.00 H new ATOM 0 HB THR A 12 78.933 -8.859 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.889 -9.397 -7.619 1.00 0.00 H new ATOM 0 HG21 THR A 12 76.974 -10.326 -5.357 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.224 -9.221 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.937 -8.893 -5.169 1.00 0.00 H new ATOM 204 N ILE A 13 77.839 -6.386 -3.075 1.00 0.00 N ATOM 205 CA ILE A 13 78.406 -6.221 -1.740 1.00 0.00 C ATOM 206 C ILE A 13 78.043 -7.405 -0.850 1.00 0.00 C ATOM 207 O ILE A 13 76.865 -7.702 -0.648 1.00 0.00 O ATOM 208 CB ILE A 13 77.892 -4.929 -1.092 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.165 -4.078 -2.141 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.070 -4.137 -0.514 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.876 -2.690 -1.567 1.00 0.00 C ATOM 0 H ILE A 13 76.861 -6.109 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 13 79.490 -6.168 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 13 77.199 -5.181 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.776 -3.991 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.234 -4.562 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.701 -3.220 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.580 -4.740 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.768 -3.887 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.360 -2.088 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.248 -2.786 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.814 -2.206 -1.296 1.00 0.00 H new ATOM 223 N THR A 14 79.060 -8.072 -0.314 1.00 0.00 N ATOM 224 CA THR A 14 78.831 -9.215 0.562 1.00 0.00 C ATOM 225 C THR A 14 78.939 -8.789 2.021 1.00 0.00 C ATOM 226 O THR A 14 79.910 -8.145 2.418 1.00 0.00 O ATOM 227 CB THR A 14 79.853 -10.316 0.270 1.00 0.00 C ATOM 228 OG1 THR A 14 79.845 -10.611 -1.120 1.00 0.00 O ATOM 229 CG2 THR A 14 79.492 -11.574 1.062 1.00 0.00 C ATOM 0 H THR A 14 80.042 -7.844 -0.469 1.00 0.00 H new ATOM 0 HA THR A 14 77.828 -9.600 0.376 1.00 0.00 H new ATOM 0 HB THR A 14 80.846 -9.977 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.096 -11.209 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.221 -12.357 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.499 -11.347 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.499 -11.915 0.770 1.00 0.00 H new ATOM 237 N LEU A 15 77.936 -9.145 2.817 1.00 0.00 N ATOM 238 CA LEU A 15 77.931 -8.784 4.230 1.00 0.00 C ATOM 239 C LEU A 15 77.410 -9.940 5.075 1.00 0.00 C ATOM 240 O LEU A 15 76.652 -10.779 4.591 1.00 0.00 O ATOM 241 CB LEU A 15 77.037 -7.556 4.481 1.00 0.00 C ATOM 242 CG LEU A 15 76.954 -6.661 3.236 1.00 0.00 C ATOM 243 CD1 LEU A 15 75.892 -5.584 3.466 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.307 -5.989 2.989 1.00 0.00 C ATOM 0 H LEU A 15 77.122 -9.679 2.511 1.00 0.00 H new ATOM 0 HA LEU A 15 78.958 -8.551 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.036 -7.884 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.432 -6.981 5.319 1.00 0.00 H new ATOM 0 HG LEU A 15 76.690 -7.268 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 15 75.827 -4.944 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 15 74.926 -6.057 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.166 -4.983 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.242 -5.355 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.574 -5.380 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.069 -6.752 2.833 1.00 0.00 H new ATOM 256 N GLU A 16 77.797 -9.961 6.346 1.00 0.00 N ATOM 257 CA GLU A 16 77.339 -11.004 7.255 1.00 0.00 C ATOM 258 C GLU A 16 76.103 -10.508 7.988 1.00 0.00 C ATOM 259 O GLU A 16 76.090 -9.389 8.502 1.00 0.00 O ATOM 260 CB GLU A 16 78.438 -11.351 8.263 1.00 0.00 C ATOM 261 CG GLU A 16 77.845 -12.194 9.394 1.00 0.00 C ATOM 262 CD GLU A 16 78.944 -13.004 10.072 1.00 0.00 C ATOM 263 OE1 GLU A 16 79.563 -12.478 10.984 1.00 0.00 O ATOM 264 OE2 GLU A 16 79.150 -14.139 9.673 1.00 0.00 O ATOM 0 H GLU A 16 78.422 -9.273 6.767 1.00 0.00 H new ATOM 0 HA GLU A 16 77.098 -11.902 6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.240 -11.899 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.877 -10.439 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 16 77.356 -11.547 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 16 77.081 -12.863 8.998 1.00 0.00 H new ATOM 271 N VAL A 17 75.050 -11.317 8.000 1.00 0.00 N ATOM 272 CA VAL A 17 73.809 -10.903 8.636 1.00 0.00 C ATOM 273 C VAL A 17 73.117 -12.053 9.370 1.00 0.00 C ATOM 274 O VAL A 17 73.393 -13.226 9.122 1.00 0.00 O ATOM 275 CB VAL A 17 72.880 -10.342 7.561 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.670 -9.412 6.637 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.295 -11.494 6.742 1.00 0.00 C ATOM 0 H VAL A 17 75.031 -12.248 7.584 1.00 0.00 H new ATOM 0 HA VAL A 17 74.044 -10.146 9.384 1.00 0.00 H new ATOM 0 HB VAL A 17 72.072 -9.784 8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 17 73.007 -9.012 5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.089 -8.591 7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.478 -9.970 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.632 -11.095 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.103 -12.051 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.732 -12.158 7.398 1.00 0.00 H new ATOM 287 N GLU A 18 72.209 -11.687 10.278 1.00 0.00 N ATOM 288 CA GLU A 18 71.456 -12.663 11.064 1.00 0.00 C ATOM 289 C GLU A 18 69.951 -12.458 10.835 1.00 0.00 C ATOM 290 O GLU A 18 69.563 -11.589 10.067 1.00 0.00 O ATOM 291 CB GLU A 18 71.794 -12.479 12.548 1.00 0.00 C ATOM 292 CG GLU A 18 73.179 -11.843 12.677 1.00 0.00 C ATOM 293 CD GLU A 18 73.732 -12.080 14.079 1.00 0.00 C ATOM 294 OE1 GLU A 18 73.437 -11.282 14.953 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.441 -13.056 14.257 1.00 0.00 O ATOM 0 H GLU A 18 71.978 -10.716 10.487 1.00 0.00 H new ATOM 0 HA GLU A 18 71.724 -13.673 10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 18 71.046 -11.848 13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.774 -13.442 13.059 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.854 -12.268 11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.117 -10.773 12.477 1.00 0.00 H new ATOM 302 N PRO A 19 69.093 -13.224 11.467 1.00 0.00 N ATOM 303 CA PRO A 19 67.621 -13.071 11.286 1.00 0.00 C ATOM 304 C PRO A 19 67.060 -11.839 12.009 1.00 0.00 C ATOM 305 O PRO A 19 65.846 -11.648 12.056 1.00 0.00 O ATOM 306 CB PRO A 19 67.021 -14.355 11.873 1.00 0.00 C ATOM 307 CG PRO A 19 68.165 -15.197 12.353 1.00 0.00 C ATOM 308 CD PRO A 19 69.408 -14.308 12.402 1.00 0.00 C ATOM 0 HA PRO A 19 67.372 -12.923 10.235 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.343 -14.123 12.694 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.440 -14.888 11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.950 -15.608 13.339 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.325 -16.042 11.683 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.591 -13.930 13.408 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.302 -14.852 12.099 1.00 0.00 H new ATOM 316 N SER A 20 67.946 -11.004 12.562 1.00 0.00 N ATOM 317 CA SER A 20 67.520 -9.785 13.263 1.00 0.00 C ATOM 318 C SER A 20 68.101 -8.565 12.552 1.00 0.00 C ATOM 319 O SER A 20 67.999 -7.426 13.009 1.00 0.00 O ATOM 320 CB SER A 20 67.984 -9.817 14.720 1.00 0.00 C ATOM 321 OG SER A 20 69.340 -10.238 14.771 1.00 0.00 O ATOM 0 H SER A 20 68.956 -11.147 12.539 1.00 0.00 H new ATOM 0 HA SER A 20 66.432 -9.727 13.252 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.881 -8.829 15.168 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.358 -10.497 15.298 1.00 0.00 H new ATOM 0 HG SER A 20 69.641 -10.258 15.703 1.00 0.00 H new ATOM 327 N ASP A 21 68.684 -8.862 11.411 1.00 0.00 N ATOM 328 CA ASP A 21 69.300 -7.895 10.511 1.00 0.00 C ATOM 329 C ASP A 21 68.231 -7.234 9.679 1.00 0.00 C ATOM 330 O ASP A 21 68.284 -7.236 8.448 1.00 0.00 O ATOM 331 CB ASP A 21 70.326 -8.541 9.614 1.00 0.00 C ATOM 332 CG ASP A 21 71.646 -8.703 10.358 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.653 -8.256 9.835 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.629 -9.247 11.451 1.00 0.00 O ATOM 0 H ASP A 21 68.748 -9.820 11.066 1.00 0.00 H new ATOM 0 HA ASP A 21 69.816 -7.149 11.116 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.967 -9.514 9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.475 -7.933 8.722 1.00 0.00 H new ATOM 339 N THR A 22 67.197 -6.794 10.345 1.00 0.00 N ATOM 340 CA THR A 22 66.039 -6.277 9.643 1.00 0.00 C ATOM 341 C THR A 22 66.392 -5.032 8.861 1.00 0.00 C ATOM 342 O THR A 22 67.272 -4.265 9.231 1.00 0.00 O ATOM 343 CB THR A 22 64.971 -5.872 10.659 1.00 0.00 C ATOM 344 OG1 THR A 22 65.011 -4.463 10.837 1.00 0.00 O ATOM 345 CG2 THR A 22 65.252 -6.557 11.991 1.00 0.00 C ATOM 0 H THR A 22 67.126 -6.780 11.362 1.00 0.00 H new ATOM 0 HA THR A 22 65.683 -7.057 8.970 1.00 0.00 H new ATOM 0 HB THR A 22 63.987 -6.171 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 22 65.770 -4.227 11.410 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.491 -6.269 12.716 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.233 -7.638 11.855 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.234 -6.255 12.356 1.00 0.00 H new ATOM 353 N ILE A 23 65.709 -4.911 7.730 1.00 0.00 N ATOM 354 CA ILE A 23 65.910 -3.826 6.784 1.00 0.00 C ATOM 355 C ILE A 23 66.374 -2.552 7.484 1.00 0.00 C ATOM 356 O ILE A 23 67.135 -1.769 6.917 1.00 0.00 O ATOM 357 CB ILE A 23 64.611 -3.589 6.015 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.433 -4.688 4.951 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.667 -2.229 5.321 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.376 -6.080 5.602 1.00 0.00 C ATOM 0 H ILE A 23 64.990 -5.574 7.442 1.00 0.00 H new ATOM 0 HA ILE A 23 66.698 -4.107 6.085 1.00 0.00 H new ATOM 0 HB ILE A 23 63.773 -3.612 6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.518 -4.508 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.258 -4.648 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.740 -2.062 4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.794 -1.445 6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.507 -2.209 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.250 -6.838 4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.303 -6.266 6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.535 -6.124 6.294 1.00 0.00 H new ATOM 372 N GLU A 24 65.939 -2.361 8.722 1.00 0.00 N ATOM 373 CA GLU A 24 66.350 -1.192 9.483 1.00 0.00 C ATOM 374 C GLU A 24 67.833 -1.307 9.839 1.00 0.00 C ATOM 375 O GLU A 24 68.615 -0.390 9.592 1.00 0.00 O ATOM 376 CB GLU A 24 65.509 -1.078 10.755 1.00 0.00 C ATOM 377 CG GLU A 24 65.637 0.333 11.328 1.00 0.00 C ATOM 378 CD GLU A 24 64.409 1.159 10.963 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.552 2.074 10.168 1.00 0.00 O ATOM 380 OE2 GLU A 24 63.346 0.873 11.489 1.00 0.00 O ATOM 0 H GLU A 24 65.309 -2.993 9.215 1.00 0.00 H new ATOM 0 HA GLU A 24 66.198 -0.297 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.465 -1.298 10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.841 -1.812 11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.744 0.286 12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 24 66.536 0.812 10.939 1.00 0.00 H new ATOM 387 N ASN A 25 68.208 -2.454 10.401 1.00 0.00 N ATOM 388 CA ASN A 25 69.597 -2.707 10.770 1.00 0.00 C ATOM 389 C ASN A 25 70.456 -2.907 9.525 1.00 0.00 C ATOM 390 O ASN A 25 71.563 -2.377 9.430 1.00 0.00 O ATOM 391 CB ASN A 25 69.682 -3.965 11.641 1.00 0.00 C ATOM 392 CG ASN A 25 68.746 -3.834 12.838 1.00 0.00 C ATOM 393 OD1 ASN A 25 67.610 -4.306 12.796 1.00 0.00 O ATOM 394 ND2 ASN A 25 69.157 -3.211 13.910 1.00 0.00 N ATOM 0 H ASN A 25 67.570 -3.221 10.610 1.00 0.00 H new ATOM 0 HA ASN A 25 69.966 -1.844 11.325 1.00 0.00 H new ATOM 0 HB2 ASN A 25 69.414 -4.843 11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.706 -4.112 11.984 1.00 0.00 H new ATOM 0 HD21 ASN A 25 68.536 -3.115 14.714 1.00 0.00 H new ATOM 0 HD22 ASN A 25 70.099 -2.820 13.943 1.00 0.00 H new ATOM 401 N ALA A 26 69.939 -3.680 8.577 1.00 0.00 N ATOM 402 CA ALA A 26 70.664 -3.956 7.340 1.00 0.00 C ATOM 403 C ALA A 26 70.989 -2.660 6.606 1.00 0.00 C ATOM 404 O ALA A 26 72.083 -2.499 6.064 1.00 0.00 O ATOM 405 CB ALA A 26 69.827 -4.860 6.435 1.00 0.00 C ATOM 0 H ALA A 26 69.024 -4.126 8.640 1.00 0.00 H new ATOM 0 HA ALA A 26 71.597 -4.459 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.375 -5.061 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.623 -5.800 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.886 -4.365 6.196 1.00 0.00 H new ATOM 411 N LYS A 27 70.033 -1.739 6.592 1.00 0.00 N ATOM 412 CA LYS A 27 70.231 -0.460 5.923 1.00 0.00 C ATOM 413 C LYS A 27 71.404 0.290 6.544 1.00 0.00 C ATOM 414 O LYS A 27 72.114 1.029 5.862 1.00 0.00 O ATOM 415 CB LYS A 27 68.964 0.388 6.042 1.00 0.00 C ATOM 416 CG LYS A 27 68.005 0.053 4.898 1.00 0.00 C ATOM 417 CD LYS A 27 66.638 0.678 5.183 1.00 0.00 C ATOM 418 CE LYS A 27 65.707 0.441 3.993 1.00 0.00 C ATOM 419 NZ LYS A 27 65.640 1.675 3.160 1.00 0.00 N ATOM 0 H LYS A 27 69.120 -1.852 7.033 1.00 0.00 H new ATOM 0 HA LYS A 27 70.448 -0.648 4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.480 0.202 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.221 1.447 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.400 0.430 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.909 -1.028 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.209 0.243 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.747 1.747 5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.070 -0.395 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.711 0.173 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.670 2.051 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.294 2.388 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 65.909 1.448 2.181 1.00 0.00 H new ATOM 433 N ALA A 28 71.599 0.094 7.845 1.00 0.00 N ATOM 434 CA ALA A 28 72.686 0.757 8.556 1.00 0.00 C ATOM 435 C ALA A 28 74.039 0.206 8.112 1.00 0.00 C ATOM 436 O ALA A 28 74.976 0.963 7.862 1.00 0.00 O ATOM 437 CB ALA A 28 72.521 0.558 10.064 1.00 0.00 C ATOM 0 H ALA A 28 71.022 -0.515 8.425 1.00 0.00 H new ATOM 0 HA ALA A 28 72.649 1.821 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.337 1.056 10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.570 0.983 10.385 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.539 -0.507 10.294 1.00 0.00 H new ATOM 443 N LYS A 29 74.132 -1.116 8.016 1.00 0.00 N ATOM 444 CA LYS A 29 75.377 -1.757 7.602 1.00 0.00 C ATOM 445 C LYS A 29 75.773 -1.303 6.201 1.00 0.00 C ATOM 446 O LYS A 29 76.944 -1.028 5.936 1.00 0.00 O ATOM 447 CB LYS A 29 75.213 -3.278 7.617 1.00 0.00 C ATOM 448 CG LYS A 29 75.395 -3.801 9.044 1.00 0.00 C ATOM 449 CD LYS A 29 74.729 -5.173 9.172 1.00 0.00 C ATOM 450 CE LYS A 29 75.019 -5.755 10.558 1.00 0.00 C ATOM 451 NZ LYS A 29 74.198 -5.046 11.577 1.00 0.00 N ATOM 0 H LYS A 29 73.368 -1.761 8.217 1.00 0.00 H new ATOM 0 HA LYS A 29 76.161 -1.469 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.227 -3.551 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.945 -3.739 6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.456 -3.876 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.956 -3.104 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.653 -5.082 9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.103 -5.844 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.792 -6.821 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.078 -5.651 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.305 -5.517 12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.517 -4.059 11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.198 -5.066 11.292 1.00 0.00 H new ATOM 465 N ILE A 30 74.792 -1.231 5.310 1.00 0.00 N ATOM 466 CA ILE A 30 75.049 -0.813 3.937 1.00 0.00 C ATOM 467 C ILE A 30 75.453 0.658 3.890 1.00 0.00 C ATOM 468 O ILE A 30 76.339 1.043 3.126 1.00 0.00 O ATOM 469 CB ILE A 30 73.800 -1.037 3.085 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.786 -2.491 2.605 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.819 -0.096 1.876 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.431 -2.813 1.979 1.00 0.00 C ATOM 0 H ILE A 30 73.817 -1.455 5.511 1.00 0.00 H new ATOM 0 HA ILE A 30 75.869 -1.410 3.539 1.00 0.00 H new ATOM 0 HB ILE A 30 72.908 -0.832 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.581 -2.651 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 30 73.980 -3.162 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 30 72.926 -0.261 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.839 0.938 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.705 -0.295 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.424 -3.848 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.645 -2.670 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.255 -2.151 1.131 1.00 0.00 H new ATOM 484 N GLN A 31 74.796 1.475 4.707 1.00 0.00 N ATOM 485 CA GLN A 31 75.096 2.900 4.743 1.00 0.00 C ATOM 486 C GLN A 31 76.567 3.130 5.069 1.00 0.00 C ATOM 487 O GLN A 31 77.229 3.952 4.438 1.00 0.00 O ATOM 488 CB GLN A 31 74.225 3.593 5.793 1.00 0.00 C ATOM 489 CG GLN A 31 74.657 5.055 5.932 1.00 0.00 C ATOM 490 CD GLN A 31 75.552 5.221 7.154 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.771 5.330 7.022 1.00 0.00 O ATOM 492 NE2 GLN A 31 75.017 5.244 8.344 1.00 0.00 N ATOM 0 H GLN A 31 74.059 1.178 5.347 1.00 0.00 H new ATOM 0 HA GLN A 31 74.883 3.320 3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.176 3.539 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.318 3.083 6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.190 5.372 5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.779 5.695 6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.007 5.154 8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.609 5.353 9.167 1.00 0.00 H new ATOM 501 N ASP A 32 77.075 2.402 6.053 1.00 0.00 N ATOM 502 CA ASP A 32 78.469 2.542 6.446 1.00 0.00 C ATOM 503 C ASP A 32 79.397 2.080 5.325 1.00 0.00 C ATOM 504 O ASP A 32 80.590 2.386 5.329 1.00 0.00 O ATOM 505 CB ASP A 32 78.742 1.720 7.709 1.00 0.00 C ATOM 506 CG ASP A 32 80.079 2.130 8.320 1.00 0.00 C ATOM 507 OD1 ASP A 32 80.447 3.284 8.166 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.714 1.286 8.930 1.00 0.00 O ATOM 0 H ASP A 32 76.547 1.714 6.590 1.00 0.00 H new ATOM 0 HA ASP A 32 78.663 3.595 6.648 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.941 1.872 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.755 0.658 7.466 1.00 0.00 H new ATOM 513 N LYS A 33 78.845 1.334 4.373 1.00 0.00 N ATOM 514 CA LYS A 33 79.639 0.825 3.259 1.00 0.00 C ATOM 515 C LYS A 33 79.515 1.715 2.023 1.00 0.00 C ATOM 516 O LYS A 33 80.505 1.978 1.341 1.00 0.00 O ATOM 517 CB LYS A 33 79.185 -0.591 2.903 1.00 0.00 C ATOM 518 CG LYS A 33 79.658 -1.574 3.978 1.00 0.00 C ATOM 519 CD LYS A 33 80.824 -2.403 3.435 1.00 0.00 C ATOM 520 CE LYS A 33 81.298 -3.383 4.509 1.00 0.00 C ATOM 521 NZ LYS A 33 82.641 -2.967 5.004 1.00 0.00 N ATOM 0 H LYS A 33 77.860 1.070 4.350 1.00 0.00 H new ATOM 0 HA LYS A 33 80.682 0.819 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.099 -0.624 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.588 -0.878 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.969 -1.031 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.838 -2.229 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.513 -2.947 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.643 -1.748 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.586 -3.407 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.346 -4.392 4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.963 -3.633 5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.317 -2.966 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.581 -2.011 5.410 1.00 0.00 H new ATOM 535 N GLU A 34 78.295 2.156 1.723 1.00 0.00 N ATOM 536 CA GLU A 34 78.066 2.992 0.545 1.00 0.00 C ATOM 537 C GLU A 34 77.892 4.463 0.917 1.00 0.00 C ATOM 538 O GLU A 34 78.120 5.346 0.091 1.00 0.00 O ATOM 539 CB GLU A 34 76.818 2.509 -0.196 1.00 0.00 C ATOM 540 CG GLU A 34 77.014 1.058 -0.640 1.00 0.00 C ATOM 541 CD GLU A 34 77.432 1.010 -2.106 1.00 0.00 C ATOM 542 OE1 GLU A 34 78.538 0.569 -2.372 1.00 0.00 O ATOM 543 OE2 GLU A 34 76.639 1.411 -2.940 1.00 0.00 O ATOM 0 H GLU A 34 77.459 1.952 2.271 1.00 0.00 H new ATOM 0 HA GLU A 34 78.944 2.906 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 34 75.945 2.587 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.629 3.143 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 34 77.773 0.580 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.089 0.498 -0.499 1.00 0.00 H new ATOM 550 N GLY A 35 77.482 4.726 2.153 1.00 0.00 N ATOM 551 CA GLY A 35 77.281 6.105 2.590 1.00 0.00 C ATOM 552 C GLY A 35 75.922 6.620 2.128 1.00 0.00 C ATOM 553 O GLY A 35 75.775 7.793 1.789 1.00 0.00 O ATOM 0 H GLY A 35 77.285 4.018 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.348 6.162 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.072 6.739 2.189 1.00 0.00 H new ATOM 557 N ILE A 36 74.937 5.728 2.106 1.00 0.00 N ATOM 558 CA ILE A 36 73.591 6.089 1.673 1.00 0.00 C ATOM 559 C ILE A 36 72.636 6.170 2.874 1.00 0.00 C ATOM 560 O ILE A 36 72.156 5.138 3.346 1.00 0.00 O ATOM 561 CB ILE A 36 73.074 5.034 0.694 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.042 4.918 -0.486 1.00 0.00 C ATOM 563 CG2 ILE A 36 71.693 5.445 0.179 1.00 0.00 C ATOM 564 CD1 ILE A 36 73.660 3.710 -1.343 1.00 0.00 C ATOM 0 H ILE A 36 75.045 4.752 2.382 1.00 0.00 H new ATOM 0 HA ILE A 36 73.632 7.065 1.189 1.00 0.00 H new ATOM 0 HB ILE A 36 73.000 4.073 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.011 5.827 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.064 4.811 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.326 4.692 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.002 5.530 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 36 71.766 6.406 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.349 3.627 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.714 2.804 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 36 72.644 3.836 -1.718 1.00 0.00 H new ATOM 576 N PRO A 37 72.342 7.350 3.380 1.00 0.00 N ATOM 577 CA PRO A 37 71.420 7.502 4.545 1.00 0.00 C ATOM 578 C PRO A 37 70.120 6.698 4.363 1.00 0.00 C ATOM 579 O PRO A 37 69.407 6.905 3.381 1.00 0.00 O ATOM 580 CB PRO A 37 71.120 9.002 4.574 1.00 0.00 C ATOM 581 CG PRO A 37 72.302 9.651 3.943 1.00 0.00 C ATOM 582 CD PRO A 37 72.844 8.659 2.916 1.00 0.00 C ATOM 0 HA PRO A 37 71.864 7.128 5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.206 9.231 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 37 70.976 9.355 5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 37 72.020 10.589 3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 37 73.059 9.889 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.487 8.890 1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.933 8.678 2.880 1.00 0.00 H new ATOM 590 N PRO A 38 69.788 5.795 5.265 1.00 0.00 N ATOM 591 CA PRO A 38 68.540 4.982 5.151 1.00 0.00 C ATOM 592 C PRO A 38 67.329 5.824 4.750 1.00 0.00 C ATOM 593 O PRO A 38 66.278 5.286 4.400 1.00 0.00 O ATOM 594 CB PRO A 38 68.351 4.417 6.558 1.00 0.00 C ATOM 595 CG PRO A 38 69.722 4.332 7.139 1.00 0.00 C ATOM 596 CD PRO A 38 70.547 5.441 6.483 1.00 0.00 C ATOM 0 HA PRO A 38 68.625 4.219 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.710 5.063 7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.876 3.436 6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.692 4.460 8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.164 3.355 6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.657 6.299 7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.552 5.097 6.239 1.00 0.00 H new ATOM 604 N ASP A 39 67.478 7.144 4.819 1.00 0.00 N ATOM 605 CA ASP A 39 66.383 8.049 4.478 1.00 0.00 C ATOM 606 C ASP A 39 66.008 7.944 3.001 1.00 0.00 C ATOM 607 O ASP A 39 64.840 8.093 2.642 1.00 0.00 O ATOM 608 CB ASP A 39 66.788 9.489 4.797 1.00 0.00 C ATOM 609 CG ASP A 39 65.552 10.379 4.862 1.00 0.00 C ATOM 610 OD1 ASP A 39 65.208 10.801 5.955 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.972 10.634 3.820 1.00 0.00 O ATOM 0 H ASP A 39 68.339 7.609 5.106 1.00 0.00 H new ATOM 0 HA ASP A 39 65.514 7.763 5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.321 9.523 5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.473 9.860 4.034 1.00 0.00 H new ATOM 616 N GLN A 40 67.000 7.688 2.153 1.00 0.00 N ATOM 617 CA GLN A 40 66.757 7.568 0.715 1.00 0.00 C ATOM 618 C GLN A 40 66.988 6.134 0.252 1.00 0.00 C ATOM 619 O GLN A 40 66.470 5.711 -0.781 1.00 0.00 O ATOM 620 CB GLN A 40 67.692 8.508 -0.049 1.00 0.00 C ATOM 621 CG GLN A 40 67.663 9.894 0.600 1.00 0.00 C ATOM 622 CD GLN A 40 68.515 10.867 -0.207 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.132 11.770 0.358 1.00 0.00 O ATOM 624 NE2 GLN A 40 68.589 10.736 -1.505 1.00 0.00 N ATOM 0 H GLN A 40 67.973 7.560 2.431 1.00 0.00 H new ATOM 0 HA GLN A 40 65.721 7.841 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 40 68.708 8.113 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 40 67.384 8.577 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 40 66.637 10.257 0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 40 68.036 9.833 1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 40 68.077 9.987 -1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 40 69.158 11.382 -2.051 1.00 0.00 H new ATOM 633 N GLN A 41 67.771 5.395 1.027 1.00 0.00 N ATOM 634 CA GLN A 41 68.077 4.010 0.699 1.00 0.00 C ATOM 635 C GLN A 41 66.800 3.193 0.528 1.00 0.00 C ATOM 636 O GLN A 41 65.889 3.264 1.352 1.00 0.00 O ATOM 637 CB GLN A 41 68.924 3.409 1.821 1.00 0.00 C ATOM 638 CG GLN A 41 69.908 2.394 1.253 1.00 0.00 C ATOM 639 CD GLN A 41 70.233 1.334 2.300 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.008 0.146 2.072 1.00 0.00 O ATOM 641 NE2 GLN A 41 70.761 1.694 3.439 1.00 0.00 N ATOM 0 H GLN A 41 68.205 5.732 1.886 1.00 0.00 H new ATOM 0 HA GLN A 41 68.625 3.985 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.465 4.199 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.278 2.928 2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 41 69.484 1.922 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.822 2.898 0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 41 70.947 2.679 3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 41 70.988 0.990 4.141 1.00 0.00 H new ATOM 650 N ARG A 42 66.745 2.414 -0.548 1.00 0.00 N ATOM 651 CA ARG A 42 65.582 1.577 -0.825 1.00 0.00 C ATOM 652 C ARG A 42 66.023 0.159 -1.175 1.00 0.00 C ATOM 653 O ARG A 42 66.773 -0.048 -2.129 1.00 0.00 O ATOM 654 CB ARG A 42 64.779 2.162 -1.985 1.00 0.00 C ATOM 655 CG ARG A 42 63.282 2.000 -1.709 1.00 0.00 C ATOM 656 CD ARG A 42 62.481 2.587 -2.872 1.00 0.00 C ATOM 657 NE ARG A 42 61.232 1.857 -3.045 1.00 0.00 N ATOM 658 CZ ARG A 42 60.392 2.160 -4.028 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.281 1.489 -4.169 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.677 3.129 -4.856 1.00 0.00 N ATOM 0 H ARG A 42 67.490 2.345 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 42 64.957 1.547 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.023 3.217 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.044 1.658 -2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.037 0.946 -1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.016 2.504 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.272 3.640 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.069 2.538 -3.789 1.00 0.00 H new ATOM 0 HE ARG A 42 60.999 1.101 -2.401 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.057 0.731 -3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.637 1.723 -4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.545 3.653 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.031 3.361 -5.611 1.00 0.00 H new ATOM 674 N LEU A 43 65.557 -0.813 -0.398 1.00 0.00 N ATOM 675 CA LEU A 43 65.917 -2.206 -0.638 1.00 0.00 C ATOM 676 C LEU A 43 64.777 -2.947 -1.333 1.00 0.00 C ATOM 677 O LEU A 43 63.670 -3.039 -0.802 1.00 0.00 O ATOM 678 CB LEU A 43 66.244 -2.895 0.689 1.00 0.00 C ATOM 679 CG LEU A 43 67.761 -3.052 0.828 1.00 0.00 C ATOM 680 CD1 LEU A 43 68.099 -3.517 2.245 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.270 -4.090 -0.180 1.00 0.00 C ATOM 0 H LEU A 43 64.935 -0.664 0.396 1.00 0.00 H new ATOM 0 HA LEU A 43 66.793 -2.228 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.851 -2.310 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 43 65.762 -3.872 0.731 1.00 0.00 H new ATOM 0 HG LEU A 43 68.239 -2.092 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 43 69.179 -3.629 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.743 -2.779 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.616 -4.475 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.350 -4.198 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 43 67.789 -5.049 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.033 -3.761 -1.192 1.00 0.00 H new ATOM 693 N ILE A 44 65.063 -3.470 -2.523 1.00 0.00 N ATOM 694 CA ILE A 44 64.062 -4.204 -3.296 1.00 0.00 C ATOM 695 C ILE A 44 64.479 -5.665 -3.445 1.00 0.00 C ATOM 696 O ILE A 44 65.664 -5.973 -3.559 1.00 0.00 O ATOM 697 CB ILE A 44 63.904 -3.563 -4.680 1.00 0.00 C ATOM 698 CG1 ILE A 44 62.900 -2.408 -4.602 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.395 -4.601 -5.682 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.397 -1.353 -3.611 1.00 0.00 C ATOM 0 H ILE A 44 65.976 -3.400 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 44 63.108 -4.163 -2.770 1.00 0.00 H new ATOM 0 HB ILE A 44 64.874 -3.187 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.769 -1.961 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.925 -2.782 -4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.286 -4.137 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.107 -5.424 -5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.429 -4.983 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.679 -0.535 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.505 -1.803 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.362 -0.969 -3.942 1.00 0.00 H new ATOM 712 N PHE A 45 63.496 -6.562 -3.443 1.00 0.00 N ATOM 713 CA PHE A 45 63.776 -7.987 -3.580 1.00 0.00 C ATOM 714 C PHE A 45 62.570 -8.717 -4.163 1.00 0.00 C ATOM 715 O PHE A 45 61.455 -8.598 -3.654 1.00 0.00 O ATOM 716 CB PHE A 45 64.125 -8.583 -2.215 1.00 0.00 C ATOM 717 CG PHE A 45 64.363 -10.067 -2.354 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.356 -10.974 -2.002 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.592 -10.537 -2.833 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.577 -12.350 -2.128 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.813 -11.914 -2.959 1.00 0.00 C ATOM 722 CZ PHE A 45 64.806 -12.820 -2.606 1.00 0.00 C ATOM 0 H PHE A 45 62.507 -6.330 -3.349 1.00 0.00 H new ATOM 0 HA PHE A 45 64.622 -8.109 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.014 -8.098 -1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.315 -8.399 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.408 -10.611 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.369 -9.838 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.800 -13.049 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.761 -12.277 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.977 -13.882 -2.702 1.00 0.00 H new ATOM 732 N ALA A 46 62.800 -9.472 -5.232 1.00 0.00 N ATOM 733 CA ALA A 46 61.724 -10.216 -5.874 1.00 0.00 C ATOM 734 C ALA A 46 60.697 -9.259 -6.475 1.00 0.00 C ATOM 735 O ALA A 46 59.492 -9.494 -6.392 1.00 0.00 O ATOM 736 CB ALA A 46 61.039 -11.127 -4.855 1.00 0.00 C ATOM 0 H ALA A 46 63.715 -9.584 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 46 62.152 -10.822 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.236 -11.680 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.767 -11.829 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.625 -10.523 -4.047 1.00 0.00 H new ATOM 742 N GLY A 47 61.186 -8.181 -7.079 1.00 0.00 N ATOM 743 CA GLY A 47 60.302 -7.194 -7.688 1.00 0.00 C ATOM 744 C GLY A 47 59.390 -6.564 -6.642 1.00 0.00 C ATOM 745 O GLY A 47 58.570 -5.702 -6.956 1.00 0.00 O ATOM 0 H GLY A 47 62.181 -7.970 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 47 60.895 -6.419 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.700 -7.668 -8.463 1.00 0.00 H new ATOM 749 N LYS A 48 59.540 -7.004 -5.395 1.00 0.00 N ATOM 750 CA LYS A 48 58.728 -6.481 -4.304 1.00 0.00 C ATOM 751 C LYS A 48 59.551 -5.536 -3.434 1.00 0.00 C ATOM 752 O LYS A 48 60.731 -5.776 -3.185 1.00 0.00 O ATOM 753 CB LYS A 48 58.199 -7.637 -3.454 1.00 0.00 C ATOM 754 CG LYS A 48 57.847 -7.127 -2.054 1.00 0.00 C ATOM 755 CD LYS A 48 56.884 -8.106 -1.370 1.00 0.00 C ATOM 756 CE LYS A 48 55.512 -8.077 -2.056 1.00 0.00 C ATOM 757 NZ LYS A 48 54.447 -7.920 -1.025 1.00 0.00 N ATOM 0 H LYS A 48 60.213 -7.718 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 48 57.889 -5.927 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.318 -8.074 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.949 -8.425 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.753 -7.018 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.389 -6.140 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 57.295 -9.115 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 48 56.777 -7.844 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 48 55.467 -7.254 -2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 48 55.355 -8.997 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 53.516 -7.900 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 54.486 -8.719 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.595 -7.031 -0.506 1.00 0.00 H new ATOM 771 N GLN A 49 58.918 -4.461 -2.975 1.00 0.00 N ATOM 772 CA GLN A 49 59.603 -3.486 -2.133 1.00 0.00 C ATOM 773 C GLN A 49 59.538 -3.905 -0.668 1.00 0.00 C ATOM 774 O GLN A 49 58.482 -4.299 -0.171 1.00 0.00 O ATOM 775 CB GLN A 49 58.961 -2.108 -2.303 1.00 0.00 C ATOM 776 CG GLN A 49 59.915 -1.033 -1.778 1.00 0.00 C ATOM 777 CD GLN A 49 59.130 0.033 -1.021 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.124 0.536 -1.519 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.532 0.409 0.162 1.00 0.00 N ATOM 0 H GLN A 49 57.941 -4.244 -3.169 1.00 0.00 H new ATOM 0 HA GLN A 49 60.648 -3.439 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 49 58.735 -1.927 -3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.016 -2.066 -1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.659 -1.484 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.456 -0.578 -2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 49 60.366 -0.009 0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.012 1.121 0.675 1.00 0.00 H new ATOM 788 N LEU A 50 60.671 -3.816 0.020 1.00 0.00 N ATOM 789 CA LEU A 50 60.729 -4.190 1.429 1.00 0.00 C ATOM 790 C LEU A 50 60.410 -2.988 2.315 1.00 0.00 C ATOM 791 O LEU A 50 60.609 -1.842 1.915 1.00 0.00 O ATOM 792 CB LEU A 50 62.120 -4.725 1.777 1.00 0.00 C ATOM 793 CG LEU A 50 62.561 -5.742 0.722 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.931 -6.309 1.101 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.541 -6.880 0.655 1.00 0.00 C ATOM 0 H LEU A 50 61.555 -3.491 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 50 59.988 -4.969 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.835 -3.903 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.105 -5.192 2.762 1.00 0.00 H new ATOM 0 HG LEU A 50 62.626 -5.253 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.245 -7.033 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.659 -5.499 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.866 -6.799 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.854 -7.605 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.477 -7.369 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.564 -6.478 0.386 1.00 0.00 H new ATOM 807 N GLU A 51 59.911 -3.264 3.518 1.00 0.00 N ATOM 808 CA GLU A 51 59.562 -2.205 4.461 1.00 0.00 C ATOM 809 C GLU A 51 60.288 -2.397 5.787 1.00 0.00 C ATOM 810 O GLU A 51 60.659 -3.514 6.149 1.00 0.00 O ATOM 811 CB GLU A 51 58.051 -2.202 4.702 1.00 0.00 C ATOM 812 CG GLU A 51 57.335 -1.705 3.444 1.00 0.00 C ATOM 813 CD GLU A 51 56.864 -0.268 3.645 1.00 0.00 C ATOM 814 OE1 GLU A 51 57.609 0.633 3.292 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.768 -0.090 4.146 1.00 0.00 O ATOM 0 H GLU A 51 59.740 -4.209 3.862 1.00 0.00 H new ATOM 0 HA GLU A 51 59.868 -1.251 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.710 -3.206 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.808 -1.560 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 51 58.007 -1.760 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 51 56.483 -2.348 3.222 1.00 0.00 H new ATOM 822 N ASP A 52 60.483 -1.298 6.506 1.00 0.00 N ATOM 823 CA ASP A 52 61.162 -1.344 7.792 1.00 0.00 C ATOM 824 C ASP A 52 60.246 -1.939 8.858 1.00 0.00 C ATOM 825 O ASP A 52 59.160 -1.421 9.116 1.00 0.00 O ATOM 826 CB ASP A 52 61.576 0.068 8.204 1.00 0.00 C ATOM 827 CG ASP A 52 60.945 1.099 7.276 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.684 1.750 6.554 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.733 1.234 7.309 1.00 0.00 O ATOM 0 H ASP A 52 60.181 -0.367 6.220 1.00 0.00 H new ATOM 0 HA ASP A 52 62.047 -1.973 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.268 0.258 9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.662 0.159 8.174 1.00 0.00 H new ATOM 834 N GLY A 53 60.691 -3.030 9.473 1.00 0.00 N ATOM 835 CA GLY A 53 59.902 -3.688 10.509 1.00 0.00 C ATOM 836 C GLY A 53 59.996 -5.204 10.381 1.00 0.00 C ATOM 837 O GLY A 53 59.985 -5.924 11.380 1.00 0.00 O ATOM 0 H GLY A 53 61.587 -3.475 9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.256 -3.379 11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.860 -3.376 10.432 1.00 0.00 H new ATOM 841 N ARG A 54 60.099 -5.681 9.146 1.00 0.00 N ATOM 842 CA ARG A 54 60.206 -7.113 8.897 1.00 0.00 C ATOM 843 C ARG A 54 61.671 -7.523 8.886 1.00 0.00 C ATOM 844 O ARG A 54 62.533 -6.733 8.500 1.00 0.00 O ATOM 845 CB ARG A 54 59.566 -7.475 7.554 1.00 0.00 C ATOM 846 CG ARG A 54 58.687 -6.318 7.062 1.00 0.00 C ATOM 847 CD ARG A 54 57.633 -5.986 8.121 1.00 0.00 C ATOM 848 NE ARG A 54 56.310 -5.918 7.511 1.00 0.00 N ATOM 849 CZ ARG A 54 55.851 -4.790 6.979 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.663 -4.758 6.440 1.00 0.00 N ATOM 851 NH2 ARG A 54 56.589 -3.714 6.996 1.00 0.00 N ATOM 0 H ARG A 54 60.111 -5.101 8.307 1.00 0.00 H new ATOM 0 HA ARG A 54 59.681 -7.644 9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.341 -7.691 6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.966 -8.379 7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.302 -5.441 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.202 -6.590 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.642 -6.744 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.872 -5.035 8.596 1.00 0.00 H new ATOM 0 HE ARG A 54 55.725 -6.753 7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 54 54.086 -5.599 6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 54 54.311 -3.892 6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 54 57.518 -3.739 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 54 56.237 -2.848 6.588 1.00 0.00 H new ATOM 865 N THR A 55 61.952 -8.747 9.320 1.00 0.00 N ATOM 866 CA THR A 55 63.329 -9.218 9.362 1.00 0.00 C ATOM 867 C THR A 55 63.652 -10.141 8.204 1.00 0.00 C ATOM 868 O THR A 55 62.767 -10.568 7.461 1.00 0.00 O ATOM 869 CB THR A 55 63.610 -9.921 10.683 1.00 0.00 C ATOM 870 OG1 THR A 55 62.886 -11.144 10.741 1.00 0.00 O ATOM 871 CG2 THR A 55 63.177 -9.005 11.817 1.00 0.00 C ATOM 0 H THR A 55 61.257 -9.420 9.642 1.00 0.00 H new ATOM 0 HA THR A 55 63.972 -8.342 9.274 1.00 0.00 H new ATOM 0 HB THR A 55 64.673 -10.143 10.771 1.00 0.00 H new ATOM 0 HG1 THR A 55 63.071 -11.594 11.592 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.371 -9.492 12.773 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.738 -8.072 11.765 1.00 0.00 H new ATOM 0 HG23 THR A 55 62.112 -8.793 11.727 1.00 0.00 H new ATOM 879 N LEU A 56 64.938 -10.437 8.060 1.00 0.00 N ATOM 880 CA LEU A 56 65.390 -11.305 6.991 1.00 0.00 C ATOM 881 C LEU A 56 64.667 -12.642 7.081 1.00 0.00 C ATOM 882 O LEU A 56 64.347 -13.259 6.064 1.00 0.00 O ATOM 883 CB LEU A 56 66.904 -11.541 7.111 1.00 0.00 C ATOM 884 CG LEU A 56 67.689 -10.271 6.748 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.186 -10.543 6.895 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.406 -9.875 5.299 1.00 0.00 C ATOM 0 H LEU A 56 65.679 -10.089 8.668 1.00 0.00 H new ATOM 0 HA LEU A 56 65.173 -10.831 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.149 -11.846 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.202 -12.358 6.453 1.00 0.00 H new ATOM 0 HG LEU A 56 67.382 -9.464 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.746 -9.644 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.405 -10.825 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.476 -11.354 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.967 -8.974 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.709 -10.685 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.340 -9.684 5.176 1.00 0.00 H new ATOM 898 N SER A 57 64.410 -13.084 8.310 1.00 0.00 N ATOM 899 CA SER A 57 63.723 -14.353 8.527 1.00 0.00 C ATOM 900 C SER A 57 62.249 -14.253 8.143 1.00 0.00 C ATOM 901 O SER A 57 61.632 -15.246 7.754 1.00 0.00 O ATOM 902 CB SER A 57 63.841 -14.761 9.995 1.00 0.00 C ATOM 903 OG SER A 57 64.577 -15.973 10.089 1.00 0.00 O ATOM 0 H SER A 57 64.665 -12.587 9.163 1.00 0.00 H new ATOM 0 HA SER A 57 64.194 -15.106 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.338 -13.975 10.564 1.00 0.00 H new ATOM 0 HB3 SER A 57 62.850 -14.890 10.429 1.00 0.00 H new ATOM 0 HG SER A 57 64.656 -16.236 11.030 1.00 0.00 H new ATOM 909 N ASP A 58 61.684 -13.055 8.261 1.00 0.00 N ATOM 910 CA ASP A 58 60.276 -12.846 7.931 1.00 0.00 C ATOM 911 C ASP A 58 60.065 -12.798 6.421 1.00 0.00 C ATOM 912 O ASP A 58 59.033 -13.240 5.916 1.00 0.00 O ATOM 913 CB ASP A 58 59.782 -11.540 8.552 1.00 0.00 C ATOM 914 CG ASP A 58 60.045 -11.548 10.055 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.530 -12.554 10.543 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.758 -10.548 10.693 1.00 0.00 O ATOM 0 H ASP A 58 62.174 -12.219 8.580 1.00 0.00 H new ATOM 0 HA ASP A 58 59.709 -13.685 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.289 -10.693 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.716 -11.417 8.361 1.00 0.00 H new ATOM 921 N TYR A 59 61.044 -12.257 5.706 1.00 0.00 N ATOM 922 CA TYR A 59 60.947 -12.157 4.255 1.00 0.00 C ATOM 923 C TYR A 59 61.478 -13.430 3.607 1.00 0.00 C ATOM 924 O TYR A 59 61.714 -13.474 2.399 1.00 0.00 O ATOM 925 CB TYR A 59 61.745 -10.949 3.759 1.00 0.00 C ATOM 926 CG TYR A 59 60.826 -9.761 3.582 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.793 -9.809 2.639 1.00 0.00 C ATOM 928 CD2 TYR A 59 61.012 -8.611 4.359 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.944 -8.709 2.472 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.164 -7.510 4.192 1.00 0.00 C ATOM 931 CZ TYR A 59 59.131 -7.558 3.249 1.00 0.00 C ATOM 932 OH TYR A 59 58.294 -6.472 3.085 1.00 0.00 O ATOM 0 H TYR A 59 61.907 -11.884 6.103 1.00 0.00 H new ATOM 0 HA TYR A 59 59.900 -12.029 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.534 -10.706 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.232 -11.187 2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.651 -10.696 2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.809 -8.574 5.087 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.146 -8.747 1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.307 -6.623 4.791 1.00 0.00 H new ATOM 0 HH TYR A 59 58.397 -5.862 3.845 1.00 0.00 H new ATOM 942 N ASN A 60 61.664 -14.460 4.423 1.00 0.00 N ATOM 943 CA ASN A 60 62.167 -15.735 3.933 1.00 0.00 C ATOM 944 C ASN A 60 63.419 -15.532 3.086 1.00 0.00 C ATOM 945 O ASN A 60 63.565 -16.131 2.020 1.00 0.00 O ATOM 946 CB ASN A 60 61.094 -16.439 3.100 1.00 0.00 C ATOM 947 CG ASN A 60 59.850 -16.679 3.948 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.387 -17.813 4.065 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.274 -15.672 4.546 1.00 0.00 N ATOM 0 H ASN A 60 61.474 -14.437 5.425 1.00 0.00 H new ATOM 0 HA ASN A 60 62.422 -16.354 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.840 -15.832 2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.477 -17.388 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.439 -15.824 5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.659 -14.733 4.448 1.00 0.00 H new ATOM 956 N ILE A 61 64.321 -14.686 3.570 1.00 0.00 N ATOM 957 CA ILE A 61 65.561 -14.409 2.853 1.00 0.00 C ATOM 958 C ILE A 61 66.609 -15.465 3.186 1.00 0.00 C ATOM 959 O ILE A 61 66.680 -15.947 4.317 1.00 0.00 O ATOM 960 CB ILE A 61 66.066 -13.013 3.229 1.00 0.00 C ATOM 961 CG1 ILE A 61 64.905 -12.019 3.024 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.280 -12.649 2.360 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.342 -10.775 2.238 1.00 0.00 C ATOM 0 H ILE A 61 64.219 -14.182 4.451 1.00 0.00 H new ATOM 0 HA ILE A 61 65.373 -14.442 1.780 1.00 0.00 H new ATOM 0 HB ILE A 61 66.389 -12.980 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.093 -12.516 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.513 -11.715 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.636 -11.655 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 61 68.075 -13.376 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 61 66.991 -12.657 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.492 -10.103 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 61 66.136 -10.262 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 61 65.709 -11.075 1.256 1.00 0.00 H new ATOM 975 N GLN A 62 67.414 -15.825 2.194 1.00 0.00 N ATOM 976 CA GLN A 62 68.448 -16.834 2.392 1.00 0.00 C ATOM 977 C GLN A 62 69.757 -16.182 2.821 1.00 0.00 C ATOM 978 O GLN A 62 69.858 -14.958 2.903 1.00 0.00 O ATOM 979 CB GLN A 62 68.667 -17.619 1.097 1.00 0.00 C ATOM 980 CG GLN A 62 67.337 -18.208 0.625 1.00 0.00 C ATOM 981 CD GLN A 62 67.573 -19.558 -0.042 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.079 -20.484 0.592 1.00 0.00 O ATOM 983 NE2 GLN A 62 67.236 -19.727 -1.292 1.00 0.00 N ATOM 0 H GLN A 62 67.372 -15.437 1.251 1.00 0.00 H new ATOM 0 HA GLN A 62 68.119 -17.514 3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.080 -16.965 0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.392 -18.416 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.660 -18.325 1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.856 -17.526 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 62 66.817 -18.959 -1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 62 67.392 -20.628 -1.745 1.00 0.00 H new ATOM 992 N LYS A 63 70.756 -17.012 3.097 1.00 0.00 N ATOM 993 CA LYS A 63 72.057 -16.511 3.524 1.00 0.00 C ATOM 994 C LYS A 63 72.918 -16.153 2.326 1.00 0.00 C ATOM 995 O LYS A 63 73.993 -15.602 2.483 1.00 0.00 O ATOM 996 CB LYS A 63 72.773 -17.570 4.362 1.00 0.00 C ATOM 997 CG LYS A 63 72.803 -18.894 3.597 1.00 0.00 C ATOM 998 CD LYS A 63 73.674 -19.901 4.352 1.00 0.00 C ATOM 999 CE LYS A 63 73.092 -20.139 5.746 1.00 0.00 C ATOM 1000 NZ LYS A 63 73.508 -21.483 6.236 1.00 0.00 N ATOM 0 H LYS A 63 70.691 -18.028 3.033 1.00 0.00 H new ATOM 0 HA LYS A 63 71.896 -15.614 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.789 -17.245 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.262 -17.701 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 63 71.791 -19.284 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.197 -18.737 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 63 73.722 -20.841 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 63 74.694 -19.526 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 63 73.438 -19.367 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.005 -20.073 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 73.112 -21.645 7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 73.157 -22.214 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 74.546 -21.530 6.282 1.00 0.00 H new ATOM 1014 N GLU A 64 72.430 -16.467 1.138 1.00 0.00 N ATOM 1015 CA GLU A 64 73.148 -16.173 -0.087 1.00 0.00 C ATOM 1016 C GLU A 64 72.272 -15.357 -1.034 1.00 0.00 C ATOM 1017 O GLU A 64 72.721 -14.923 -2.096 1.00 0.00 O ATOM 1018 CB GLU A 64 73.580 -17.477 -0.758 1.00 0.00 C ATOM 1019 CG GLU A 64 75.045 -17.755 -0.417 1.00 0.00 C ATOM 1020 CD GLU A 64 75.461 -19.124 -0.948 1.00 0.00 C ATOM 1021 OE1 GLU A 64 75.949 -19.916 -0.159 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.300 -19.353 -2.135 1.00 0.00 O ATOM 0 H GLU A 64 71.532 -16.929 0.997 1.00 0.00 H new ATOM 0 HA GLU A 64 74.034 -15.586 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.952 -18.301 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.453 -17.404 -1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.679 -16.981 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.188 -17.717 0.663 1.00 0.00 H new ATOM 1029 N SER A 65 71.017 -15.165 -0.643 1.00 0.00 N ATOM 1030 CA SER A 65 70.070 -14.412 -1.458 1.00 0.00 C ATOM 1031 C SER A 65 70.703 -13.137 -2.007 1.00 0.00 C ATOM 1032 O SER A 65 71.638 -12.591 -1.420 1.00 0.00 O ATOM 1033 CB SER A 65 68.840 -14.049 -0.626 1.00 0.00 C ATOM 1034 OG SER A 65 67.871 -15.082 -0.745 1.00 0.00 O ATOM 0 H SER A 65 70.632 -15.520 0.232 1.00 0.00 H new ATOM 0 HA SER A 65 69.777 -15.042 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.120 -13.916 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.422 -13.102 -0.967 1.00 0.00 H new ATOM 0 HG SER A 65 66.973 -14.701 -0.651 1.00 0.00 H new ATOM 1040 N THR A 66 70.176 -12.668 -3.133 1.00 0.00 N ATOM 1041 CA THR A 66 70.679 -11.451 -3.763 1.00 0.00 C ATOM 1042 C THR A 66 69.667 -10.320 -3.600 1.00 0.00 C ATOM 1043 O THR A 66 68.503 -10.461 -3.979 1.00 0.00 O ATOM 1044 CB THR A 66 70.936 -11.700 -5.251 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.644 -12.922 -5.408 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.764 -10.551 -5.829 1.00 0.00 C ATOM 0 H THR A 66 69.402 -13.111 -3.628 1.00 0.00 H new ATOM 0 HA THR A 66 71.614 -11.167 -3.280 1.00 0.00 H new ATOM 0 HB THR A 66 69.984 -11.759 -5.779 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.808 -13.085 -6.360 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.946 -10.731 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.221 -9.614 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.717 -10.489 -5.303 1.00 0.00 H new ATOM 1054 N LEU A 67 70.111 -9.205 -3.031 1.00 0.00 N ATOM 1055 CA LEU A 67 69.227 -8.062 -2.817 1.00 0.00 C ATOM 1056 C LEU A 67 69.502 -6.963 -3.838 1.00 0.00 C ATOM 1057 O LEU A 67 70.592 -6.890 -4.408 1.00 0.00 O ATOM 1058 CB LEU A 67 69.429 -7.503 -1.406 1.00 0.00 C ATOM 1059 CG LEU A 67 68.823 -8.462 -0.378 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.822 -8.691 0.757 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.537 -7.855 0.191 1.00 0.00 C ATOM 0 H LEU A 67 71.070 -9.067 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 67 68.198 -8.402 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.492 -7.367 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.961 -6.522 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 67 68.595 -9.413 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.391 -9.374 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.738 -9.123 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.050 -7.740 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.105 -8.538 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.765 -6.904 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.824 -7.691 -0.617 1.00 0.00 H new ATOM 1073 N HIS A 68 68.506 -6.109 -4.055 1.00 0.00 N ATOM 1074 CA HIS A 68 68.638 -5.005 -5.001 1.00 0.00 C ATOM 1075 C HIS A 68 68.579 -3.673 -4.264 1.00 0.00 C ATOM 1076 O HIS A 68 67.603 -3.378 -3.573 1.00 0.00 O ATOM 1077 CB HIS A 68 67.517 -5.065 -6.040 1.00 0.00 C ATOM 1078 CG HIS A 68 67.656 -6.320 -6.858 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.502 -7.583 -6.306 1.00 0.00 N ATOM 1080 CD2 HIS A 68 67.933 -6.524 -8.187 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.685 -8.482 -7.291 1.00 0.00 C ATOM 1082 NE2 HIS A 68 67.949 -7.889 -8.459 1.00 0.00 N ATOM 0 H HIS A 68 67.600 -6.160 -3.590 1.00 0.00 H new ATOM 0 HA HIS A 68 69.600 -5.093 -5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.546 -5.047 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.560 -4.190 -6.688 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.111 -5.743 -8.912 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.626 -9.552 -7.154 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.125 -8.340 -9.357 1.00 0.00 H new ATOM 1090 N LEU A 69 69.629 -2.872 -4.409 1.00 0.00 N ATOM 1091 CA LEU A 69 69.685 -1.575 -3.745 1.00 0.00 C ATOM 1092 C LEU A 69 69.277 -0.462 -4.701 1.00 0.00 C ATOM 1093 O LEU A 69 69.905 -0.263 -5.740 1.00 0.00 O ATOM 1094 CB LEU A 69 71.109 -1.323 -3.231 1.00 0.00 C ATOM 1095 CG LEU A 69 71.123 -0.147 -2.241 1.00 0.00 C ATOM 1096 CD1 LEU A 69 72.489 -0.082 -1.559 1.00 0.00 C ATOM 1097 CD2 LEU A 69 70.866 1.181 -2.965 1.00 0.00 C ATOM 0 H LEU A 69 70.447 -3.096 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 69 68.989 -1.581 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.491 -2.221 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.772 -1.109 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 69 70.335 -0.304 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 69 72.505 0.750 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 69 72.673 -1.013 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 69 73.265 0.063 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 70.881 1.998 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 69 71.642 1.344 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 69 69.892 1.146 -3.454 1.00 0.00 H new ATOM 1109 N VAL A 70 68.225 0.265 -4.335 1.00 0.00 N ATOM 1110 CA VAL A 70 67.742 1.369 -5.156 1.00 0.00 C ATOM 1111 C VAL A 70 67.603 2.633 -4.312 1.00 0.00 C ATOM 1112 O VAL A 70 67.171 2.576 -3.161 1.00 0.00 O ATOM 1113 CB VAL A 70 66.391 1.012 -5.778 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.249 1.711 -7.131 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.302 -0.502 -5.974 1.00 0.00 C ATOM 0 H VAL A 70 67.693 0.110 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 70 68.464 1.551 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 70 65.590 1.340 -5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.286 1.456 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.309 2.790 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.050 1.386 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.339 -0.756 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.104 -0.831 -6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.400 -1.000 -5.009 1.00 0.00 H new ATOM 1125 N LEU A 71 67.979 3.771 -4.890 1.00 0.00 N ATOM 1126 CA LEU A 71 67.899 5.043 -4.180 1.00 0.00 C ATOM 1127 C LEU A 71 66.747 5.888 -4.711 1.00 0.00 C ATOM 1128 O LEU A 71 66.752 6.304 -5.870 1.00 0.00 O ATOM 1129 CB LEU A 71 69.212 5.814 -4.341 1.00 0.00 C ATOM 1130 CG LEU A 71 70.054 5.668 -3.072 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.496 6.081 -3.368 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.485 6.566 -1.968 1.00 0.00 C ATOM 0 H LEU A 71 68.340 3.838 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 71 67.723 4.834 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.764 5.435 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.006 6.867 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 71 70.030 4.630 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.097 5.977 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 71 71.904 5.442 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.516 7.119 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 71 70.087 6.459 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.506 7.605 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 71 68.457 6.273 -1.755 1.00 0.00 H new