USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 387 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 8 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 157:sc= 0.506 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0108 K(o=-0.011,f=-3.7!) USER MOD Single : A 37 THR OG1 : rot 61:sc= 0.279 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0.173 K(o=0.17,f=-1.3) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 126:sc= 1.44 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 9.210 -2.349 -5.171 1.00 0.00 N ATOM 67 CA GLN A 8 9.205 -1.310 -4.149 1.00 0.00 C ATOM 68 C GLN A 8 8.239 -1.659 -3.022 1.00 0.00 C ATOM 69 O GLN A 8 7.023 -1.531 -3.171 1.00 0.00 O ATOM 70 CB GLN A 8 8.824 0.038 -4.764 1.00 0.00 C ATOM 71 CG GLN A 8 9.947 0.683 -5.561 1.00 0.00 C ATOM 72 CD GLN A 8 9.471 1.852 -6.400 1.00 0.00 C ATOM 73 OE1 GLN A 8 8.487 2.512 -6.064 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.168 2.114 -7.500 1.00 0.00 N ATOM 0 HA GLN A 8 10.210 -1.241 -3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.961 -0.100 -5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.518 0.717 -3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.723 1.025 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.402 -0.064 -6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.977 1.541 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.894 2.888 -8.105 1.00 0.00 H new ATOM 83 N TYR A 9 8.786 -2.101 -1.896 1.00 0.00 N ATOM 84 CA TYR A 9 7.973 -2.471 -0.744 1.00 0.00 C ATOM 85 C TYR A 9 8.049 -1.404 0.344 1.00 0.00 C ATOM 86 O TYR A 9 9.084 -0.763 0.529 1.00 0.00 O ATOM 87 CB TYR A 9 8.428 -3.820 -0.184 1.00 0.00 C ATOM 88 CG TYR A 9 8.795 -4.826 -1.251 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.815 -5.438 -2.022 1.00 0.00 C ATOM 90 CD2 TYR A 9 10.122 -5.163 -1.489 1.00 0.00 C ATOM 91 CE1 TYR A 9 8.146 -6.359 -2.998 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.462 -6.082 -2.463 1.00 0.00 C ATOM 93 CZ TYR A 9 9.470 -6.677 -3.215 1.00 0.00 C ATOM 94 OH TYR A 9 9.804 -7.593 -4.186 1.00 0.00 O ATOM 0 H TYR A 9 9.790 -2.212 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 9 6.938 -2.553 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.289 -3.662 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.632 -4.234 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.777 -5.190 -1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.901 -4.699 -0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.372 -6.827 -3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.498 -6.333 -2.635 1.00 0.00 H new ATOM 0 HH TYR A 9 10.778 -7.703 -4.211 1.00 0.00 H new ATOM 104 N PHE A 10 6.946 -1.219 1.061 1.00 0.00 N ATOM 105 CA PHE A 10 6.886 -0.230 2.131 1.00 0.00 C ATOM 106 C PHE A 10 6.178 -0.798 3.357 1.00 0.00 C ATOM 107 O PHE A 10 5.477 -1.806 3.272 1.00 0.00 O ATOM 108 CB PHE A 10 6.164 1.030 1.649 1.00 0.00 C ATOM 109 CG PHE A 10 7.013 1.912 0.778 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.370 1.509 -0.499 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.454 3.143 1.236 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.151 2.318 -1.303 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.234 3.956 0.437 1.00 0.00 C ATOM 114 CZ PHE A 10 8.584 3.543 -0.834 1.00 0.00 C ATOM 0 H PHE A 10 6.081 -1.741 0.921 1.00 0.00 H new ATOM 0 HA PHE A 10 7.907 0.029 2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.271 0.738 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.830 1.601 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.034 0.552 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.185 3.471 2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.422 1.993 -2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.570 4.914 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.195 4.177 -1.460 1.00 0.00 H new ATOM 124 N VAL A 11 6.369 -0.143 4.499 1.00 0.00 N ATOM 125 CA VAL A 11 5.749 -0.581 5.744 1.00 0.00 C ATOM 126 C VAL A 11 4.944 0.545 6.383 1.00 0.00 C ATOM 127 O VAL A 11 5.373 1.698 6.396 1.00 0.00 O ATOM 128 CB VAL A 11 6.803 -1.079 6.750 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.664 0.076 7.237 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.131 -1.784 7.919 1.00 0.00 C ATOM 0 H VAL A 11 6.948 0.692 4.587 1.00 0.00 H new ATOM 0 HA VAL A 11 5.080 -1.404 5.492 1.00 0.00 H new ATOM 0 HB VAL A 11 7.451 -1.796 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.403 -0.295 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.173 0.533 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.034 0.819 7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.890 -2.130 8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.459 -1.091 8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.562 -2.638 7.551 1.00 0.00 H new ATOM 140 N ALA A 12 3.775 0.202 6.913 1.00 0.00 N ATOM 141 CA ALA A 12 2.910 1.183 7.556 1.00 0.00 C ATOM 142 C ALA A 12 3.349 1.443 8.993 1.00 0.00 C ATOM 143 O ALA A 12 3.461 0.515 9.796 1.00 0.00 O ATOM 144 CB ALA A 12 1.463 0.716 7.520 1.00 0.00 C ATOM 0 H ALA A 12 3.405 -0.749 6.910 1.00 0.00 H new ATOM 0 HA ALA A 12 2.991 2.119 7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.829 1.459 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.147 0.589 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.374 -0.235 8.046 1.00 0.00 H new ATOM 150 N LEU A 13 3.596 2.708 9.312 1.00 0.00 N ATOM 151 CA LEU A 13 4.023 3.090 10.654 1.00 0.00 C ATOM 152 C LEU A 13 2.821 3.300 11.569 1.00 0.00 C ATOM 153 O LEU A 13 2.923 3.157 12.788 1.00 0.00 O ATOM 154 CB LEU A 13 4.866 4.366 10.598 1.00 0.00 C ATOM 155 CG LEU A 13 6.074 4.332 9.662 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.393 5.728 9.151 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.281 3.733 10.370 1.00 0.00 C ATOM 0 H LEU A 13 3.508 3.487 8.660 1.00 0.00 H new ATOM 0 HA LEU A 13 4.628 2.280 11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.221 5.191 10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.218 4.589 11.605 1.00 0.00 H new ATOM 0 HG LEU A 13 5.829 3.702 8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.256 5.684 8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.535 6.121 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.618 6.382 9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.132 3.717 9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.527 4.337 11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.050 2.716 10.686 1.00 0.00 H new ATOM 169 N PHE A 14 1.683 3.639 10.973 1.00 0.00 N ATOM 170 CA PHE A 14 0.460 3.867 11.735 1.00 0.00 C ATOM 171 C PHE A 14 -0.754 3.317 10.992 1.00 0.00 C ATOM 172 O PHE A 14 -0.684 3.022 9.799 1.00 0.00 O ATOM 173 CB PHE A 14 0.273 5.362 12.003 1.00 0.00 C ATOM 174 CG PHE A 14 1.555 6.079 12.317 1.00 0.00 C ATOM 175 CD1 PHE A 14 2.043 6.120 13.613 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.272 6.714 11.316 1.00 0.00 C ATOM 177 CE1 PHE A 14 3.222 6.779 13.905 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.452 7.374 11.601 1.00 0.00 C ATOM 179 CZ PHE A 14 3.927 7.407 12.898 1.00 0.00 C ATOM 0 H PHE A 14 1.582 3.762 9.966 1.00 0.00 H new ATOM 0 HA PHE A 14 0.551 3.342 12.686 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.189 5.825 11.131 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.419 5.490 12.835 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.495 5.631 14.405 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.904 6.693 10.301 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.591 6.803 14.920 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.002 7.863 10.811 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.848 7.923 13.124 1.00 0.00 H new ATOM 189 N ASP A 15 -1.865 3.181 11.707 1.00 0.00 N ATOM 190 CA ASP A 15 -3.096 2.667 11.117 1.00 0.00 C ATOM 191 C ASP A 15 -3.813 3.754 10.322 1.00 0.00 C ATOM 192 O ASP A 15 -3.767 4.931 10.679 1.00 0.00 O ATOM 193 CB ASP A 15 -4.020 2.121 12.207 1.00 0.00 C ATOM 194 CG ASP A 15 -3.356 1.045 13.043 1.00 0.00 C ATOM 195 OD1 ASP A 15 -2.202 1.254 13.470 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.991 -0.007 13.269 1.00 0.00 O ATOM 0 H ASP A 15 -1.939 3.419 12.696 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.833 1.858 10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.335 2.939 12.856 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.921 1.715 11.746 1.00 0.00 H new ATOM 201 N TYR A 16 -4.474 3.351 9.243 1.00 0.00 N ATOM 202 CA TYR A 16 -5.198 4.291 8.395 1.00 0.00 C ATOM 203 C TYR A 16 -6.426 3.630 7.774 1.00 0.00 C ATOM 204 O TYR A 16 -6.377 2.473 7.359 1.00 0.00 O ATOM 205 CB TYR A 16 -4.282 4.827 7.294 1.00 0.00 C ATOM 206 CG TYR A 16 -5.015 5.595 6.217 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.452 6.895 6.438 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.268 5.020 4.978 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.123 7.599 5.457 1.00 0.00 C ATOM 210 CE2 TYR A 16 -5.937 5.718 3.990 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.362 7.007 4.235 1.00 0.00 C ATOM 212 OH TYR A 16 -7.029 7.706 3.255 1.00 0.00 O ATOM 0 H TYR A 16 -4.524 2.380 8.935 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.530 5.121 9.018 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.530 5.475 7.743 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.751 3.992 6.836 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.264 7.363 7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.936 4.011 4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.459 8.608 5.646 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.126 5.257 3.032 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.807 7.331 2.377 1.00 0.00 H new ATOM 222 N GLN A 17 -7.524 4.376 7.714 1.00 0.00 N ATOM 223 CA GLN A 17 -8.764 3.864 7.144 1.00 0.00 C ATOM 224 C GLN A 17 -9.078 4.550 5.818 1.00 0.00 C ATOM 225 O GLN A 17 -9.189 5.773 5.752 1.00 0.00 O ATOM 226 CB GLN A 17 -9.922 4.066 8.123 1.00 0.00 C ATOM 227 CG GLN A 17 -11.203 3.362 7.705 1.00 0.00 C ATOM 228 CD GLN A 17 -12.439 3.979 8.328 1.00 0.00 C ATOM 229 OE1 GLN A 17 -13.000 4.940 7.800 1.00 0.00 O ATOM 230 NE2 GLN A 17 -12.871 3.430 9.457 1.00 0.00 N ATOM 0 H GLN A 17 -7.580 5.336 8.053 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.636 2.797 6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.623 3.704 9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.120 5.133 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.293 3.395 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.144 2.311 7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.375 2.635 9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.699 3.804 9.922 1.00 0.00 H new ATOM 312 N ASP A 23 -9.463 4.748 -2.107 1.00 0.00 N ATOM 313 CA ASP A 23 -8.288 4.616 -1.254 1.00 0.00 C ATOM 314 C ASP A 23 -8.167 3.196 -0.710 1.00 0.00 C ATOM 315 O ASP A 23 -9.046 2.360 -0.926 1.00 0.00 O ATOM 316 CB ASP A 23 -8.358 5.614 -0.097 1.00 0.00 C ATOM 317 CG ASP A 23 -7.760 6.960 -0.456 1.00 0.00 C ATOM 318 OD1 ASP A 23 -7.731 7.294 -1.659 1.00 0.00 O ATOM 319 OD2 ASP A 23 -7.323 7.680 0.465 1.00 0.00 O ATOM 0 HA ASP A 23 -7.406 4.831 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.398 5.749 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.831 5.204 0.765 1.00 0.00 H new ATOM 324 N LEU A 24 -7.074 2.929 -0.005 1.00 0.00 N ATOM 325 CA LEU A 24 -6.837 1.609 0.569 1.00 0.00 C ATOM 326 C LEU A 24 -6.670 1.696 2.083 1.00 0.00 C ATOM 327 O LEU A 24 -6.241 2.720 2.613 1.00 0.00 O ATOM 328 CB LEU A 24 -5.593 0.975 -0.056 1.00 0.00 C ATOM 329 CG LEU A 24 -5.400 -0.520 0.203 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.283 -1.341 -0.723 1.00 0.00 C ATOM 331 CD2 LEU A 24 -3.938 -0.906 0.030 1.00 0.00 C ATOM 0 H LEU A 24 -6.337 3.609 0.183 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.704 0.985 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.630 1.135 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.715 1.504 0.314 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.692 -0.732 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.132 -2.402 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.328 -1.085 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.023 -1.126 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.819 -1.973 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.620 -0.679 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.327 -0.343 0.735 1.00 0.00 H new ATOM 343 N SER A 25 -7.011 0.612 2.774 1.00 0.00 N ATOM 344 CA SER A 25 -6.900 0.566 4.227 1.00 0.00 C ATOM 345 C SER A 25 -5.762 -0.355 4.656 1.00 0.00 C ATOM 346 O SER A 25 -5.453 -1.336 3.980 1.00 0.00 O ATOM 347 CB SER A 25 -8.217 0.090 4.844 1.00 0.00 C ATOM 348 OG SER A 25 -8.544 -1.217 4.405 1.00 0.00 O ATOM 0 H SER A 25 -7.366 -0.245 2.351 1.00 0.00 H new ATOM 0 HA SER A 25 -6.682 1.573 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.138 0.103 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.018 0.778 4.574 1.00 0.00 H new ATOM 0 HG SER A 25 -9.389 -1.498 4.815 1.00 0.00 H new ATOM 354 N PHE A 26 -5.141 -0.031 5.786 1.00 0.00 N ATOM 355 CA PHE A 26 -4.036 -0.827 6.306 1.00 0.00 C ATOM 356 C PHE A 26 -3.846 -0.582 7.801 1.00 0.00 C ATOM 357 O PHE A 26 -4.424 0.346 8.367 1.00 0.00 O ATOM 358 CB PHE A 26 -2.744 -0.497 5.556 1.00 0.00 C ATOM 359 CG PHE A 26 -2.383 0.960 5.596 1.00 0.00 C ATOM 360 CD1 PHE A 26 -1.758 1.503 6.708 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.667 1.788 4.522 1.00 0.00 C ATOM 362 CE1 PHE A 26 -1.425 2.843 6.747 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.337 3.130 4.555 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.714 3.658 5.669 1.00 0.00 C ATOM 0 H PHE A 26 -5.385 0.777 6.359 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.277 -1.879 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.927 -1.077 5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.847 -0.809 4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.529 0.871 7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.152 1.380 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.939 3.254 7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.566 3.764 3.711 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.453 4.706 5.698 1.00 0.00 H new ATOM 374 N ARG A 27 -3.033 -1.421 8.433 1.00 0.00 N ATOM 375 CA ARG A 27 -2.767 -1.298 9.861 1.00 0.00 C ATOM 376 C ARG A 27 -1.275 -1.116 10.123 1.00 0.00 C ATOM 377 O ARG A 27 -0.440 -1.511 9.310 1.00 0.00 O ATOM 378 CB ARG A 27 -3.280 -2.533 10.605 1.00 0.00 C ATOM 379 CG ARG A 27 -4.763 -2.794 10.401 1.00 0.00 C ATOM 380 CD ARG A 27 -5.597 -1.566 10.732 1.00 0.00 C ATOM 381 NE ARG A 27 -6.994 -1.906 10.988 1.00 0.00 N ATOM 382 CZ ARG A 27 -7.861 -1.072 11.552 1.00 0.00 C ATOM 383 NH1 ARG A 27 -7.477 0.143 11.916 1.00 0.00 N ATOM 384 NH2 ARG A 27 -9.116 -1.454 11.752 1.00 0.00 N ATOM 0 H ARG A 27 -2.547 -2.194 7.979 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.292 -0.416 10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.717 -3.406 10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.084 -2.412 11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.943 -3.089 9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.076 -3.628 11.029 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.179 -1.069 11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.542 -0.857 9.906 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.322 -2.834 10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.513 0.440 11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.145 0.781 12.349 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.415 -2.388 11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.781 -0.813 12.185 1.00 0.00 H new ATOM 398 N ALA A 28 -0.949 -0.516 11.263 1.00 0.00 N ATOM 399 CA ALA A 28 0.442 -0.284 11.633 1.00 0.00 C ATOM 400 C ALA A 28 1.247 -1.578 11.583 1.00 0.00 C ATOM 401 O ALA A 28 1.092 -2.450 12.437 1.00 0.00 O ATOM 402 CB ALA A 28 0.522 0.337 13.020 1.00 0.00 C ATOM 0 H ALA A 28 -1.629 -0.182 11.946 1.00 0.00 H new ATOM 0 HA ALA A 28 0.874 0.409 10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.566 0.505 13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.011 1.288 13.024 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.068 -0.336 13.747 1.00 0.00 H new ATOM 408 N GLY A 29 2.107 -1.696 10.576 1.00 0.00 N ATOM 409 CA GLY A 29 2.924 -2.887 10.433 1.00 0.00 C ATOM 410 C GLY A 29 2.445 -3.786 9.311 1.00 0.00 C ATOM 411 O GLY A 29 2.748 -4.979 9.290 1.00 0.00 O ATOM 0 H GLY A 29 2.253 -0.988 9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.957 -2.595 10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.916 -3.444 11.370 1.00 0.00 H new ATOM 415 N ASP A 30 1.694 -3.214 8.376 1.00 0.00 N ATOM 416 CA ASP A 30 1.172 -3.973 7.245 1.00 0.00 C ATOM 417 C ASP A 30 2.118 -3.890 6.052 1.00 0.00 C ATOM 418 O ASP A 30 2.687 -2.836 5.768 1.00 0.00 O ATOM 419 CB ASP A 30 -0.212 -3.454 6.852 1.00 0.00 C ATOM 420 CG ASP A 30 -1.086 -4.536 6.247 1.00 0.00 C ATOM 421 OD1 ASP A 30 -0.622 -5.219 5.311 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.233 -4.699 6.712 1.00 0.00 O ATOM 0 H ASP A 30 1.433 -2.228 8.379 1.00 0.00 H new ATOM 0 HA ASP A 30 1.088 -5.017 7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.706 -3.042 7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.102 -2.638 6.137 1.00 0.00 H new ATOM 427 N LYS A 31 2.284 -5.010 5.356 1.00 0.00 N ATOM 428 CA LYS A 31 3.162 -5.066 4.193 1.00 0.00 C ATOM 429 C LYS A 31 2.418 -4.644 2.930 1.00 0.00 C ATOM 430 O LYS A 31 1.423 -5.261 2.547 1.00 0.00 O ATOM 431 CB LYS A 31 3.723 -6.479 4.019 1.00 0.00 C ATOM 432 CG LYS A 31 4.496 -6.979 5.227 1.00 0.00 C ATOM 433 CD LYS A 31 5.927 -6.468 5.224 1.00 0.00 C ATOM 434 CE LYS A 31 6.623 -6.754 6.546 1.00 0.00 C ATOM 435 NZ LYS A 31 6.283 -5.740 7.582 1.00 0.00 N ATOM 0 H LYS A 31 1.822 -5.892 5.577 1.00 0.00 H new ATOM 0 HA LYS A 31 3.987 -4.372 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.901 -7.165 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.377 -6.497 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.995 -6.656 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.498 -8.069 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.481 -6.938 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.931 -5.395 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.338 -7.745 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.702 -6.769 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.777 -5.970 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.578 -4.798 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.256 -5.743 7.747 1.00 0.00 H new ATOM 449 N LEU A 32 2.907 -3.590 2.286 1.00 0.00 N ATOM 450 CA LEU A 32 2.289 -3.086 1.064 1.00 0.00 C ATOM 451 C LEU A 32 3.346 -2.759 0.014 1.00 0.00 C ATOM 452 O LEU A 32 4.400 -2.209 0.332 1.00 0.00 O ATOM 453 CB LEU A 32 1.453 -1.842 1.367 1.00 0.00 C ATOM 454 CG LEU A 32 0.449 -1.971 2.513 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.045 -0.597 3.026 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.775 -2.756 2.064 1.00 0.00 C ATOM 0 H LEU A 32 3.729 -3.068 2.589 1.00 0.00 H new ATOM 0 HA LEU A 32 1.638 -3.865 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.131 -1.020 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.909 -1.565 0.464 1.00 0.00 H new ATOM 0 HG LEU A 32 0.925 -2.515 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.670 -0.709 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.928 -0.069 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.413 -0.027 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.479 -2.838 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.253 -2.240 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.471 -3.753 1.746 1.00 0.00 H new ATOM 468 N GLN A 33 3.056 -3.099 -1.237 1.00 0.00 N ATOM 469 CA GLN A 33 3.981 -2.840 -2.334 1.00 0.00 C ATOM 470 C GLN A 33 3.513 -1.656 -3.173 1.00 0.00 C ATOM 471 O GLN A 33 2.411 -1.668 -3.722 1.00 0.00 O ATOM 472 CB GLN A 33 4.121 -4.082 -3.216 1.00 0.00 C ATOM 473 CG GLN A 33 4.989 -3.861 -4.444 1.00 0.00 C ATOM 474 CD GLN A 33 5.146 -5.115 -5.281 1.00 0.00 C ATOM 475 OE1 GLN A 33 4.755 -6.206 -4.865 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.719 -4.966 -6.470 1.00 0.00 N ATOM 0 H GLN A 33 2.187 -3.555 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 33 4.953 -2.596 -1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.544 -4.893 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.130 -4.405 -3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.551 -3.072 -5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.973 -3.512 -4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.028 -4.043 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.850 -5.774 -7.078 1.00 0.00 H new ATOM 485 N VAL A 34 4.357 -0.634 -3.268 1.00 0.00 N ATOM 486 CA VAL A 34 4.030 0.559 -4.041 1.00 0.00 C ATOM 487 C VAL A 34 4.213 0.312 -5.535 1.00 0.00 C ATOM 488 O VAL A 34 5.309 -0.017 -5.991 1.00 0.00 O ATOM 489 CB VAL A 34 4.900 1.757 -3.619 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.646 2.949 -4.531 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.636 2.121 -2.166 1.00 0.00 C ATOM 0 H VAL A 34 5.273 -0.608 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 34 2.984 0.791 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 34 5.948 1.474 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.270 3.786 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.890 2.679 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.596 3.236 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.259 2.970 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.586 2.385 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.873 1.269 -1.529 1.00 0.00 H new ATOM 501 N LEU A 35 3.134 0.475 -6.292 1.00 0.00 N ATOM 502 CA LEU A 35 3.174 0.271 -7.736 1.00 0.00 C ATOM 503 C LEU A 35 3.411 1.589 -8.466 1.00 0.00 C ATOM 504 O LEU A 35 4.320 1.700 -9.288 1.00 0.00 O ATOM 505 CB LEU A 35 1.869 -0.365 -8.218 1.00 0.00 C ATOM 506 CG LEU A 35 1.308 -1.489 -7.347 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.207 -1.551 -7.464 1.00 0.00 C ATOM 508 CD2 LEU A 35 1.930 -2.824 -7.733 1.00 0.00 C ATOM 0 H LEU A 35 2.220 0.748 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 35 4.002 -0.401 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.114 0.418 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.028 -0.756 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 35 1.563 -1.279 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.588 -2.357 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.636 -0.604 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.485 -1.737 -8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.519 -3.613 -7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.707 -3.041 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.010 -2.775 -7.595 1.00 0.00 H new ATOM 520 N ASP A 36 2.589 2.586 -8.157 1.00 0.00 N ATOM 521 CA ASP A 36 2.710 3.898 -8.781 1.00 0.00 C ATOM 522 C ASP A 36 3.172 4.941 -7.768 1.00 0.00 C ATOM 523 O ASP A 36 2.733 4.942 -6.617 1.00 0.00 O ATOM 524 CB ASP A 36 1.374 4.321 -9.394 1.00 0.00 C ATOM 525 CG ASP A 36 1.550 5.232 -10.593 1.00 0.00 C ATOM 526 OD1 ASP A 36 2.349 4.887 -11.489 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.887 6.290 -10.636 1.00 0.00 O ATOM 0 H ASP A 36 1.832 2.510 -7.478 1.00 0.00 H new ATOM 0 HA ASP A 36 3.457 3.829 -9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.818 3.433 -9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.776 4.831 -8.639 1.00 0.00 H new ATOM 532 N THR A 37 4.062 5.828 -8.203 1.00 0.00 N ATOM 533 CA THR A 37 4.586 6.874 -7.334 1.00 0.00 C ATOM 534 C THR A 37 4.553 8.231 -8.027 1.00 0.00 C ATOM 535 O THR A 37 5.575 8.910 -8.132 1.00 0.00 O ATOM 536 CB THR A 37 6.030 6.569 -6.894 1.00 0.00 C ATOM 537 OG1 THR A 37 6.886 6.495 -8.040 1.00 0.00 O ATOM 538 CG2 THR A 37 6.096 5.260 -6.121 1.00 0.00 C ATOM 0 H THR A 37 4.435 5.842 -9.152 1.00 0.00 H new ATOM 0 HA THR A 37 3.945 6.903 -6.453 1.00 0.00 H new ATOM 0 HB THR A 37 6.365 7.375 -6.241 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.879 7.355 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.126 5.066 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.466 5.329 -5.234 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.743 4.446 -6.754 1.00 0.00 H new ATOM 546 N SER A 38 3.373 8.622 -8.497 1.00 0.00 N ATOM 547 CA SER A 38 3.209 9.899 -9.183 1.00 0.00 C ATOM 548 C SER A 38 2.987 11.029 -8.182 1.00 0.00 C ATOM 549 O SER A 38 3.465 12.147 -8.375 1.00 0.00 O ATOM 550 CB SER A 38 2.033 9.829 -10.160 1.00 0.00 C ATOM 551 OG SER A 38 2.441 9.305 -11.412 1.00 0.00 O ATOM 0 H SER A 38 2.517 8.074 -8.416 1.00 0.00 H new ATOM 0 HA SER A 38 4.123 10.105 -9.740 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.244 9.205 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.612 10.825 -10.299 1.00 0.00 H new ATOM 0 HG SER A 38 1.672 9.269 -12.018 1.00 0.00 H new ATOM 557 N HIS A 39 2.258 10.728 -7.112 1.00 0.00 N ATOM 558 CA HIS A 39 1.972 11.718 -6.079 1.00 0.00 C ATOM 559 C HIS A 39 2.769 11.425 -4.811 1.00 0.00 C ATOM 560 O HIS A 39 2.423 10.527 -4.044 1.00 0.00 O ATOM 561 CB HIS A 39 0.477 11.738 -5.763 1.00 0.00 C ATOM 562 CG HIS A 39 -0.021 13.076 -5.308 1.00 0.00 C ATOM 563 ND1 HIS A 39 -0.509 14.032 -6.174 1.00 0.00 N ATOM 564 CD2 HIS A 39 -0.106 13.614 -4.069 1.00 0.00 C ATOM 565 CE1 HIS A 39 -0.871 15.101 -5.487 1.00 0.00 C ATOM 566 NE2 HIS A 39 -0.637 14.872 -4.207 1.00 0.00 N ATOM 0 H HIS A 39 1.855 9.807 -6.937 1.00 0.00 H new ATOM 0 HA HIS A 39 2.269 12.697 -6.455 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.078 11.436 -6.651 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.268 10.999 -4.989 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.189 13.141 -3.144 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.287 16.007 -5.901 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -0.821 15.524 -3.445 1.00 0.00 H new ATOM 575 N GLU A 40 3.836 12.189 -4.599 1.00 0.00 N ATOM 576 CA GLU A 40 4.681 12.009 -3.425 1.00 0.00 C ATOM 577 C GLU A 40 3.835 11.810 -2.171 1.00 0.00 C ATOM 578 O GLU A 40 4.284 11.211 -1.194 1.00 0.00 O ATOM 579 CB GLU A 40 5.604 13.216 -3.244 1.00 0.00 C ATOM 580 CG GLU A 40 6.551 13.087 -2.062 1.00 0.00 C ATOM 581 CD GLU A 40 7.800 12.295 -2.399 1.00 0.00 C ATOM 582 OE1 GLU A 40 8.338 12.480 -3.510 1.00 0.00 O ATOM 583 OE2 GLU A 40 8.238 11.491 -1.550 1.00 0.00 O ATOM 0 H GLU A 40 4.135 12.937 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 40 5.287 11.116 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.189 13.355 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.996 14.112 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.837 14.082 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.031 12.603 -1.235 1.00 0.00 H new ATOM 590 N GLY A 41 2.606 12.316 -2.206 1.00 0.00 N ATOM 591 CA GLY A 41 1.717 12.185 -1.067 1.00 0.00 C ATOM 592 C GLY A 41 0.891 10.915 -1.120 1.00 0.00 C ATOM 593 O GLY A 41 0.727 10.230 -0.110 1.00 0.00 O ATOM 0 H GLY A 41 2.210 12.814 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.304 12.195 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.051 13.047 -1.029 1.00 0.00 H new ATOM 597 N TRP A 42 0.368 10.600 -2.300 1.00 0.00 N ATOM 598 CA TRP A 42 -0.447 9.404 -2.480 1.00 0.00 C ATOM 599 C TRP A 42 0.214 8.437 -3.456 1.00 0.00 C ATOM 600 O TRP A 42 0.709 8.843 -4.507 1.00 0.00 O ATOM 601 CB TRP A 42 -1.840 9.783 -2.984 1.00 0.00 C ATOM 602 CG TRP A 42 -2.603 10.649 -2.027 1.00 0.00 C ATOM 603 CD1 TRP A 42 -2.683 12.012 -2.040 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.391 10.209 -0.916 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.473 12.447 -1.004 1.00 0.00 N ATOM 606 CE2 TRP A 42 -3.921 11.360 -0.300 1.00 0.00 C ATOM 607 CE3 TRP A 42 -3.704 8.956 -0.383 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -4.743 11.292 0.822 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.519 8.890 0.731 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.032 10.052 1.323 1.00 0.00 C ATOM 0 H TRP A 42 0.494 11.156 -3.146 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.540 8.909 -1.513 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.745 10.304 -3.937 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.410 8.873 -3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.196 12.654 -2.759 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.691 13.421 -0.793 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.316 8.055 -0.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.138 12.186 1.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.765 7.927 1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.668 9.967 2.192 1.00 0.00 H new ATOM 621 N TRP A 43 0.219 7.157 -3.101 1.00 0.00 N ATOM 622 CA TRP A 43 0.820 6.132 -3.946 1.00 0.00 C ATOM 623 C TRP A 43 -0.146 4.973 -4.167 1.00 0.00 C ATOM 624 O TRP A 43 -0.972 4.668 -3.305 1.00 0.00 O ATOM 625 CB TRP A 43 2.117 5.618 -3.318 1.00 0.00 C ATOM 626 CG TRP A 43 3.244 6.603 -3.394 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.360 7.650 -4.263 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.415 6.630 -2.570 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.533 8.327 -4.029 1.00 0.00 N ATOM 630 CE2 TRP A 43 5.198 7.722 -2.995 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.877 5.841 -1.514 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.415 8.040 -2.400 1.00 0.00 C ATOM 633 CZ3 TRP A 43 6.086 6.158 -0.925 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.844 7.250 -1.368 1.00 0.00 C ATOM 0 H TRP A 43 -0.186 6.805 -2.234 1.00 0.00 H new ATOM 0 HA TRP A 43 1.046 6.582 -4.913 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.932 5.368 -2.273 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.415 4.697 -3.819 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.637 7.908 -5.022 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.856 9.147 -4.542 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.299 4.998 -1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.001 8.881 -2.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.453 5.553 -0.109 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.785 7.472 -0.886 1.00 0.00 H new ATOM 645 N LEU A 44 -0.038 4.330 -5.324 1.00 0.00 N ATOM 646 CA LEU A 44 -0.903 3.204 -5.658 1.00 0.00 C ATOM 647 C LEU A 44 -0.214 1.879 -5.348 1.00 0.00 C ATOM 648 O LEU A 44 0.639 1.419 -6.106 1.00 0.00 O ATOM 649 CB LEU A 44 -1.293 3.255 -7.136 1.00 0.00 C ATOM 650 CG LEU A 44 -2.123 2.079 -7.652 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.568 2.203 -7.196 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.046 1.998 -9.170 1.00 0.00 C ATOM 0 H LEU A 44 0.640 4.569 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.804 3.276 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.853 4.174 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.381 3.318 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.711 1.159 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.142 1.357 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.606 2.211 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.993 3.130 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.642 1.155 -9.520 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.432 2.921 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.009 1.860 -9.475 1.00 0.00 H new ATOM 664 N ALA A 45 -0.593 1.268 -4.230 1.00 0.00 N ATOM 665 CA ALA A 45 -0.015 -0.007 -3.822 1.00 0.00 C ATOM 666 C ALA A 45 -1.067 -1.110 -3.820 1.00 0.00 C ATOM 667 O ALA A 45 -2.240 -0.864 -4.104 1.00 0.00 O ATOM 668 CB ALA A 45 0.624 0.120 -2.447 1.00 0.00 C ATOM 0 H ALA A 45 -1.298 1.635 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 45 0.755 -0.278 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.052 -0.839 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.411 0.873 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.132 0.417 -1.720 1.00 0.00 H new ATOM 674 N ARG A 46 -0.641 -2.327 -3.498 1.00 0.00 N ATOM 675 CA ARG A 46 -1.546 -3.469 -3.461 1.00 0.00 C ATOM 676 C ARG A 46 -1.188 -4.409 -2.313 1.00 0.00 C ATOM 677 O ARG A 46 -0.021 -4.747 -2.115 1.00 0.00 O ATOM 678 CB ARG A 46 -1.500 -4.227 -4.789 1.00 0.00 C ATOM 679 CG ARG A 46 -0.140 -4.830 -5.099 1.00 0.00 C ATOM 680 CD ARG A 46 -0.128 -5.506 -6.461 1.00 0.00 C ATOM 681 NE ARG A 46 -0.553 -6.901 -6.385 1.00 0.00 N ATOM 682 CZ ARG A 46 0.184 -7.865 -5.845 1.00 0.00 C ATOM 683 NH1 ARG A 46 1.376 -7.587 -5.337 1.00 0.00 N ATOM 684 NH2 ARG A 46 -0.272 -9.111 -5.812 1.00 0.00 N ATOM 0 H ARG A 46 0.326 -2.547 -3.259 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.557 -3.095 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.245 -5.023 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.779 -3.548 -5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.620 -4.049 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.122 -5.556 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.786 -4.964 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.876 -5.456 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.466 -7.149 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.730 -6.631 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.940 -8.329 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.189 -9.329 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.295 -9.851 -5.397 1.00 0.00 H new ATOM 698 N HIS A 47 -2.201 -4.829 -1.561 1.00 0.00 N ATOM 699 CA HIS A 47 -1.993 -5.730 -0.433 1.00 0.00 C ATOM 700 C HIS A 47 -1.203 -6.963 -0.861 1.00 0.00 C ATOM 701 O HIS A 47 -1.490 -7.569 -1.894 1.00 0.00 O ATOM 702 CB HIS A 47 -3.336 -6.153 0.163 1.00 0.00 C ATOM 703 CG HIS A 47 -3.822 -5.243 1.249 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.258 -5.205 2.507 1.00 0.00 N ATOM 705 CD2 HIS A 47 -4.825 -4.334 1.261 1.00 0.00 C ATOM 706 CE1 HIS A 47 -3.893 -4.312 3.245 1.00 0.00 C ATOM 707 NE2 HIS A 47 -4.848 -3.769 2.512 1.00 0.00 N ATOM 0 H HIS A 47 -3.173 -4.560 -1.712 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.419 -5.197 0.325 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.082 -6.188 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.246 -7.164 0.561 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.485 -4.097 0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.669 -4.068 4.273 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.497 -3.047 2.825 1.00 0.00 H new ATOM 716 N LEU A 48 -0.206 -7.327 -0.062 1.00 0.00 N ATOM 717 CA LEU A 48 0.627 -8.488 -0.359 1.00 0.00 C ATOM 718 C LEU A 48 0.101 -9.731 0.352 1.00 0.00 C ATOM 719 O LEU A 48 0.071 -10.819 -0.223 1.00 0.00 O ATOM 720 CB LEU A 48 2.074 -8.221 0.059 1.00 0.00 C ATOM 721 CG LEU A 48 2.804 -7.122 -0.713 1.00 0.00 C ATOM 722 CD1 LEU A 48 4.048 -6.676 0.040 1.00 0.00 C ATOM 723 CD2 LEU A 48 3.167 -7.602 -2.110 1.00 0.00 C ATOM 0 H LEU A 48 0.045 -6.836 0.796 1.00 0.00 H new ATOM 0 HA LEU A 48 0.592 -8.665 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.083 -7.961 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.638 -9.148 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 48 2.136 -6.266 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.554 -5.893 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.762 -6.290 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.720 -7.525 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.686 -6.806 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.817 -8.474 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.259 -7.870 -2.650 1.00 0.00 H new ATOM 735 N GLU A 49 -0.313 -9.561 1.603 1.00 0.00 N ATOM 736 CA GLU A 49 -0.839 -10.670 2.391 1.00 0.00 C ATOM 737 C GLU A 49 -1.965 -11.381 1.645 1.00 0.00 C ATOM 738 O GLU A 49 -3.094 -10.893 1.590 1.00 0.00 O ATOM 739 CB GLU A 49 -1.347 -10.168 3.744 1.00 0.00 C ATOM 740 CG GLU A 49 -0.260 -10.064 4.801 1.00 0.00 C ATOM 741 CD GLU A 49 0.443 -8.720 4.785 1.00 0.00 C ATOM 742 OE1 GLU A 49 -0.181 -7.730 4.349 1.00 0.00 O ATOM 743 OE2 GLU A 49 1.616 -8.658 5.208 1.00 0.00 O ATOM 0 H GLU A 49 -0.295 -8.667 2.093 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.029 -11.381 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.806 -9.189 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.127 -10.840 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.699 -10.229 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.473 -10.855 4.642 1.00 0.00 H new ATOM 882 N LEU A 59 -7.962 -4.244 -2.495 1.00 0.00 N ATOM 883 CA LEU A 59 -6.568 -4.673 -2.507 1.00 0.00 C ATOM 884 C LEU A 59 -5.659 -3.557 -3.014 1.00 0.00 C ATOM 885 O LEU A 59 -4.575 -3.335 -2.476 1.00 0.00 O ATOM 886 CB LEU A 59 -6.404 -5.917 -3.381 1.00 0.00 C ATOM 887 CG LEU A 59 -6.762 -5.751 -4.859 1.00 0.00 C ATOM 888 CD1 LEU A 59 -6.048 -6.796 -5.702 1.00 0.00 C ATOM 889 CD2 LEU A 59 -8.268 -5.844 -5.055 1.00 0.00 C ATOM 0 HA LEU A 59 -6.279 -4.915 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.368 -6.250 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.022 -6.713 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.432 -4.764 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.315 -6.662 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.970 -6.684 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.346 -7.792 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.505 -5.724 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.620 -6.817 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.759 -5.058 -4.481 1.00 0.00 H new ATOM 901 N GLN A 60 -6.111 -2.859 -4.051 1.00 0.00 N ATOM 902 CA GLN A 60 -5.338 -1.766 -4.630 1.00 0.00 C ATOM 903 C GLN A 60 -6.034 -0.428 -4.402 1.00 0.00 C ATOM 904 O GLN A 60 -7.242 -0.304 -4.599 1.00 0.00 O ATOM 905 CB GLN A 60 -5.130 -1.997 -6.127 1.00 0.00 C ATOM 906 CG GLN A 60 -3.867 -2.779 -6.452 1.00 0.00 C ATOM 907 CD GLN A 60 -3.829 -3.256 -7.890 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.970 -4.448 -8.165 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.639 -2.325 -8.818 1.00 0.00 N ATOM 0 H GLN A 60 -7.007 -3.030 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.367 -1.739 -4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.992 -2.532 -6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.091 -1.032 -6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.996 -2.152 -6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.795 -3.639 -5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.527 -1.349 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.605 -2.586 -9.803 1.00 0.00 H new ATOM 918 N GLY A 61 -5.263 0.572 -3.986 1.00 0.00 N ATOM 919 CA GLY A 61 -5.823 1.887 -3.737 1.00 0.00 C ATOM 920 C GLY A 61 -4.760 2.918 -3.413 1.00 0.00 C ATOM 921 O GLY A 61 -3.572 2.600 -3.363 1.00 0.00 O ATOM 0 H GLY A 61 -4.260 0.495 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.384 2.211 -4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.530 1.827 -2.910 1.00 0.00 H new ATOM 925 N TYR A 62 -5.187 4.157 -3.193 1.00 0.00 N ATOM 926 CA TYR A 62 -4.263 5.239 -2.876 1.00 0.00 C ATOM 927 C TYR A 62 -4.010 5.316 -1.373 1.00 0.00 C ATOM 928 O TYR A 62 -4.948 5.343 -0.575 1.00 0.00 O ATOM 929 CB TYR A 62 -4.814 6.573 -3.381 1.00 0.00 C ATOM 930 CG TYR A 62 -4.951 6.641 -4.885 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.833 6.777 -5.699 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.198 6.569 -5.493 1.00 0.00 C ATOM 933 CE1 TYR A 62 -3.953 6.840 -7.073 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.328 6.630 -6.867 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.203 6.766 -7.653 1.00 0.00 C ATOM 936 OH TYR A 62 -5.327 6.828 -9.022 1.00 0.00 O ATOM 0 H TYR A 62 -6.167 4.436 -3.228 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.316 5.033 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.789 6.749 -2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.158 7.377 -3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.853 6.834 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.081 6.463 -4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.073 6.947 -7.691 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.305 6.572 -7.323 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.273 6.761 -9.268 1.00 0.00 H new ATOM 946 N ILE A 63 -2.737 5.352 -0.995 1.00 0.00 N ATOM 947 CA ILE A 63 -2.359 5.428 0.411 1.00 0.00 C ATOM 948 C ILE A 63 -1.296 6.498 0.637 1.00 0.00 C ATOM 949 O ILE A 63 -0.412 6.715 -0.191 1.00 0.00 O ATOM 950 CB ILE A 63 -1.830 4.077 0.926 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.596 3.651 0.128 1.00 0.00 C ATOM 952 CG2 ILE A 63 -2.916 3.015 0.839 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.163 2.502 0.756 1.00 0.00 C ATOM 0 H ILE A 63 -1.949 5.330 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.259 5.691 0.966 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.543 4.190 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.904 3.366 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.073 4.505 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.527 2.066 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.769 3.317 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.231 2.901 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.025 2.254 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.502 2.791 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.491 1.633 0.833 1.00 0.00 H new ATOM 965 N PRO A 64 -1.382 7.182 1.788 1.00 0.00 N ATOM 966 CA PRO A 64 -0.433 8.239 2.152 1.00 0.00 C ATOM 967 C PRO A 64 0.954 7.690 2.468 1.00 0.00 C ATOM 968 O PRO A 64 1.123 6.903 3.399 1.00 0.00 O ATOM 969 CB PRO A 64 -1.059 8.862 3.403 1.00 0.00 C ATOM 970 CG PRO A 64 -1.897 7.777 3.987 1.00 0.00 C ATOM 971 CD PRO A 64 -2.410 6.976 2.822 1.00 0.00 C ATOM 0 HA PRO A 64 -0.279 8.947 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.294 9.193 4.105 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.661 9.735 3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.312 7.153 4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.721 8.191 4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.519 5.922 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.388 7.327 2.492 1.00 0.00 H new ATOM 979 N SER A 65 1.943 8.111 1.686 1.00 0.00 N ATOM 980 CA SER A 65 3.316 7.658 1.881 1.00 0.00 C ATOM 981 C SER A 65 3.815 8.020 3.277 1.00 0.00 C ATOM 982 O SER A 65 4.544 7.254 3.905 1.00 0.00 O ATOM 983 CB SER A 65 4.233 8.275 0.823 1.00 0.00 C ATOM 984 OG SER A 65 5.575 8.323 1.277 1.00 0.00 O ATOM 0 H SER A 65 1.820 8.764 0.912 1.00 0.00 H new ATOM 0 HA SER A 65 3.333 6.573 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.177 7.692 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.891 9.282 0.583 1.00 0.00 H new ATOM 0 HG SER A 65 6.157 7.879 0.625 1.00 0.00 H new ATOM 990 N ASN A 66 3.415 9.193 3.755 1.00 0.00 N ATOM 991 CA ASN A 66 3.821 9.658 5.077 1.00 0.00 C ATOM 992 C ASN A 66 3.448 8.640 6.150 1.00 0.00 C ATOM 993 O ASN A 66 4.086 8.568 7.200 1.00 0.00 O ATOM 994 CB ASN A 66 3.169 11.007 5.388 1.00 0.00 C ATOM 995 CG ASN A 66 3.850 12.158 4.673 1.00 0.00 C ATOM 996 OD1 ASN A 66 3.402 12.597 3.614 1.00 0.00 O ATOM 997 ND2 ASN A 66 4.940 12.651 5.250 1.00 0.00 N ATOM 0 H ASN A 66 2.810 9.839 3.248 1.00 0.00 H new ATOM 0 HA ASN A 66 4.904 9.777 5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.118 10.975 5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.199 11.182 6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.442 13.425 4.815 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.275 12.256 6.128 1.00 0.00 H new ATOM 1004 N TYR A 67 2.411 7.856 5.878 1.00 0.00 N ATOM 1005 CA TYR A 67 1.951 6.843 6.821 1.00 0.00 C ATOM 1006 C TYR A 67 2.858 5.617 6.789 1.00 0.00 C ATOM 1007 O TYR A 67 3.034 4.934 7.798 1.00 0.00 O ATOM 1008 CB TYR A 67 0.512 6.435 6.502 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.525 7.379 7.068 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.494 8.736 6.770 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.535 6.914 7.900 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -1.438 9.602 7.285 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.485 7.773 8.419 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.432 9.116 8.109 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.376 9.974 8.625 1.00 0.00 O ATOM 0 H TYR A 67 1.873 7.902 5.013 1.00 0.00 H new ATOM 0 HA TYR A 67 1.986 7.273 7.822 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.390 6.381 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.332 5.434 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.282 9.120 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.579 5.863 8.146 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.398 10.654 7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.265 7.395 9.064 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.004 9.471 9.184 1.00 0.00 H new ATOM 1025 N VAL A 68 3.433 5.345 5.621 1.00 0.00 N ATOM 1026 CA VAL A 68 4.324 4.203 5.456 1.00 0.00 C ATOM 1027 C VAL A 68 5.763 4.655 5.238 1.00 0.00 C ATOM 1028 O VAL A 68 6.050 5.852 5.204 1.00 0.00 O ATOM 1029 CB VAL A 68 3.891 3.320 4.271 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.498 2.755 4.506 1.00 0.00 C ATOM 1031 CG2 VAL A 68 3.942 4.110 2.972 1.00 0.00 C ATOM 0 H VAL A 68 3.297 5.900 4.776 1.00 0.00 H new ATOM 0 HA VAL A 68 4.264 3.620 6.375 1.00 0.00 H new ATOM 0 HB VAL A 68 4.587 2.485 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.209 2.134 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.498 2.152 5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.787 3.574 4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.633 3.471 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.270 4.966 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.960 4.460 2.799 1.00 0.00 H new ATOM 1041 N ALA A 69 6.665 3.691 5.091 1.00 0.00 N ATOM 1042 CA ALA A 69 8.075 3.990 4.875 1.00 0.00 C ATOM 1043 C ALA A 69 8.756 2.881 4.080 1.00 0.00 C ATOM 1044 O ALA A 69 8.195 1.801 3.900 1.00 0.00 O ATOM 1045 CB ALA A 69 8.782 4.199 6.206 1.00 0.00 C ATOM 0 H ALA A 69 6.444 2.696 5.118 1.00 0.00 H new ATOM 0 HA ALA A 69 8.140 4.910 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.834 4.421 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.320 5.031 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.699 3.294 6.808 1.00 0.00 H new ATOM 1051 N GLU A 70 9.968 3.155 3.608 1.00 0.00 N ATOM 1052 CA GLU A 70 10.724 2.180 2.832 1.00 0.00 C ATOM 1053 C GLU A 70 11.325 1.110 3.739 1.00 0.00 C ATOM 1054 O GLU A 70 12.350 1.331 4.384 1.00 0.00 O ATOM 1055 CB GLU A 70 11.834 2.874 2.040 1.00 0.00 C ATOM 1056 CG GLU A 70 12.262 2.113 0.796 1.00 0.00 C ATOM 1057 CD GLU A 70 12.790 0.727 1.113 1.00 0.00 C ATOM 1058 OE1 GLU A 70 13.334 0.540 2.221 1.00 0.00 O ATOM 1059 OE2 GLU A 70 12.660 -0.169 0.253 1.00 0.00 O ATOM 0 H GLU A 70 10.447 4.044 3.750 1.00 0.00 H new ATOM 0 HA GLU A 70 10.037 1.698 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.494 3.868 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.700 3.011 2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.414 2.028 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.032 2.681 0.274 1.00 0.00 H new ATOM 1066 N ASP A 71 10.678 -0.050 3.785 1.00 0.00 N ATOM 1067 CA ASP A 71 11.147 -1.155 4.612 1.00 0.00 C ATOM 1068 C ASP A 71 12.008 -2.116 3.798 1.00 0.00 C ATOM 1069 O ASP A 71 11.842 -2.238 2.585 1.00 0.00 O ATOM 1070 CB ASP A 71 9.961 -1.904 5.221 1.00 0.00 C ATOM 1071 CG ASP A 71 10.295 -2.525 6.563 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.930 -1.841 7.392 1.00 0.00 O ATOM 1073 OD2 ASP A 71 9.922 -3.697 6.784 1.00 0.00 O ATOM 0 H ASP A 71 9.827 -0.249 3.259 1.00 0.00 H new ATOM 0 HA ASP A 71 11.756 -0.741 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.124 -1.216 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.637 -2.685 4.533 1.00 0.00 H new