USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 1 GLY N :NH3+ -119:sc= 0.0989 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 59:sc= 0.595 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 169:sc= -0.159 (180deg=-0.398) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.534 USER MOD Single : A 21 SER OG : rot -167:sc= 0.421 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -11:sc= -0.017 USER MOD Single : A 47 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.48) USER MOD Single : A 61 TYR OH : rot 88:sc= 0.171 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -122:sc= -3.35! (180deg=-7.34!) USER MOD Single : A 72 HIS : no HD1:sc= -2.53 X(o=-2.5,f=-2.5!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-3.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 46:sc= 0.553 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.733 -10.095 -7.006 1.00 0.00 N ATOM 2 CA GLY A 1 9.815 -10.367 -5.913 1.00 0.00 C ATOM 3 C GLY A 1 10.045 -11.766 -5.338 1.00 0.00 C ATOM 4 O GLY A 1 10.769 -12.570 -5.923 1.00 0.00 O ATOM 0 H1 GLY A 1 11.328 -9.277 -6.764 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.337 -10.926 -7.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.192 -9.887 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.947 -9.622 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.788 -10.280 -6.266 1.00 0.00 H new ATOM 8 N SER A 2 9.415 -12.014 -4.198 1.00 0.00 N ATOM 9 CA SER A 2 9.542 -13.302 -3.538 1.00 0.00 C ATOM 10 C SER A 2 11.007 -13.747 -3.536 1.00 0.00 C ATOM 11 O SER A 2 11.428 -14.511 -4.401 1.00 0.00 O ATOM 12 CB SER A 2 8.668 -14.358 -4.216 1.00 0.00 C ATOM 13 OG SER A 2 7.301 -13.963 -4.271 1.00 0.00 O ATOM 0 H SER A 2 8.816 -11.345 -3.715 1.00 0.00 H new ATOM 0 HA SER A 2 9.200 -13.193 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.035 -14.538 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.752 -15.300 -3.674 1.00 0.00 H new ATOM 0 HG SER A 2 6.776 -14.663 -4.712 1.00 0.00 H new ATOM 18 N SER A 3 11.743 -13.247 -2.553 1.00 0.00 N ATOM 19 CA SER A 3 13.151 -13.583 -2.428 1.00 0.00 C ATOM 20 C SER A 3 13.754 -12.862 -1.221 1.00 0.00 C ATOM 21 O SER A 3 13.931 -11.646 -1.245 1.00 0.00 O ATOM 22 CB SER A 3 13.919 -13.223 -3.700 1.00 0.00 C ATOM 23 OG SER A 3 14.192 -14.369 -4.501 1.00 0.00 O ATOM 0 H SER A 3 11.390 -12.612 -1.837 1.00 0.00 H new ATOM 0 HA SER A 3 13.234 -14.660 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.341 -12.504 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.857 -12.736 -3.432 1.00 0.00 H new ATOM 0 HG SER A 3 13.349 -14.801 -4.753 1.00 0.00 H new ATOM 28 N GLY A 4 14.055 -13.644 -0.194 1.00 0.00 N ATOM 29 CA GLY A 4 14.637 -13.096 1.019 1.00 0.00 C ATOM 30 C GLY A 4 13.559 -12.836 2.075 1.00 0.00 C ATOM 31 O GLY A 4 12.776 -13.728 2.400 1.00 0.00 O ATOM 0 H GLY A 4 13.906 -14.653 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.380 -13.788 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.158 -12.167 0.789 1.00 0.00 H new ATOM 35 N SER A 5 13.553 -11.612 2.580 1.00 0.00 N ATOM 36 CA SER A 5 12.585 -11.224 3.592 1.00 0.00 C ATOM 37 C SER A 5 12.872 -9.801 4.072 1.00 0.00 C ATOM 38 O SER A 5 11.957 -8.987 4.193 1.00 0.00 O ATOM 39 CB SER A 5 12.602 -12.198 4.773 1.00 0.00 C ATOM 40 OG SER A 5 13.913 -12.363 5.308 1.00 0.00 O ATOM 0 H SER A 5 14.203 -10.875 2.307 1.00 0.00 H new ATOM 0 HA SER A 5 11.591 -11.256 3.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.935 -11.833 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.217 -13.166 4.451 1.00 0.00 H new ATOM 0 HG SER A 5 13.883 -12.990 6.061 1.00 0.00 H new ATOM 45 N SER A 6 14.144 -9.543 4.333 1.00 0.00 N ATOM 46 CA SER A 6 14.563 -8.232 4.797 1.00 0.00 C ATOM 47 C SER A 6 14.814 -7.309 3.603 1.00 0.00 C ATOM 48 O SER A 6 15.344 -7.742 2.580 1.00 0.00 O ATOM 49 CB SER A 6 15.819 -8.330 5.666 1.00 0.00 C ATOM 50 OG SER A 6 16.999 -8.483 4.882 1.00 0.00 O ATOM 0 H SER A 6 14.900 -10.221 4.232 1.00 0.00 H new ATOM 0 HA SER A 6 13.763 -7.815 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.906 -7.434 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.724 -9.176 6.347 1.00 0.00 H new ATOM 0 HG SER A 6 17.779 -8.540 5.473 1.00 0.00 H new ATOM 55 N GLY A 7 14.422 -6.055 3.773 1.00 0.00 N ATOM 56 CA GLY A 7 14.599 -5.067 2.721 1.00 0.00 C ATOM 57 C GLY A 7 13.696 -3.854 2.952 1.00 0.00 C ATOM 58 O GLY A 7 12.910 -3.831 3.898 1.00 0.00 O ATOM 0 H GLY A 7 13.983 -5.700 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.641 -4.748 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.372 -5.515 1.754 1.00 0.00 H new ATOM 62 N LEU A 8 13.841 -2.873 2.073 1.00 0.00 N ATOM 63 CA LEU A 8 13.048 -1.659 2.169 1.00 0.00 C ATOM 64 C LEU A 8 11.810 -1.791 1.280 1.00 0.00 C ATOM 65 O LEU A 8 10.685 -1.635 1.750 1.00 0.00 O ATOM 66 CB LEU A 8 13.906 -0.433 1.851 1.00 0.00 C ATOM 67 CG LEU A 8 14.546 0.269 3.050 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.287 1.535 2.615 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.505 0.559 4.134 1.00 0.00 C ATOM 0 H LEU A 8 14.496 -2.894 1.291 1.00 0.00 H new ATOM 0 HA LEU A 8 12.693 -1.515 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.699 -0.737 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.287 0.290 1.320 1.00 0.00 H new ATOM 0 HG LEU A 8 15.286 -0.403 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.732 2.014 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.072 1.272 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.586 2.223 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.985 1.058 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.725 1.203 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.062 -0.377 4.473 1.00 0.00 H new ATOM 80 N ARG A 9 12.061 -2.078 0.011 1.00 0.00 N ATOM 81 CA ARG A 9 10.980 -2.233 -0.948 1.00 0.00 C ATOM 82 C ARG A 9 10.147 -3.473 -0.614 1.00 0.00 C ATOM 83 O ARG A 9 8.941 -3.497 -0.851 1.00 0.00 O ATOM 84 CB ARG A 9 11.522 -2.362 -2.373 1.00 0.00 C ATOM 85 CG ARG A 9 10.382 -2.395 -3.393 1.00 0.00 C ATOM 86 CD ARG A 9 10.540 -3.575 -4.353 1.00 0.00 C ATOM 87 NE ARG A 9 10.554 -4.847 -3.595 1.00 0.00 N ATOM 88 CZ ARG A 9 10.367 -6.053 -4.147 1.00 0.00 C ATOM 89 NH1 ARG A 9 10.151 -6.161 -5.465 1.00 0.00 N ATOM 90 NH2 ARG A 9 10.395 -7.152 -3.381 1.00 0.00 N ATOM 0 H ARG A 9 12.996 -2.207 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 9 10.354 -1.343 -0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.185 -1.525 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.117 -3.271 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.427 -2.469 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.367 -1.462 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.722 -3.580 -5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.464 -3.471 -4.921 1.00 0.00 H new ATOM 0 HE ARG A 9 10.716 -4.802 -2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.129 -5.325 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.009 -7.080 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.559 -7.070 -2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.253 -8.070 -3.801 1.00 0.00 H new ATOM 101 N LYS A 10 10.824 -4.472 -0.068 1.00 0.00 N ATOM 102 CA LYS A 10 10.162 -5.711 0.301 1.00 0.00 C ATOM 103 C LYS A 10 9.194 -5.443 1.456 1.00 0.00 C ATOM 104 O LYS A 10 8.143 -6.076 1.549 1.00 0.00 O ATOM 105 CB LYS A 10 11.194 -6.800 0.606 1.00 0.00 C ATOM 106 CG LYS A 10 10.561 -7.950 1.392 1.00 0.00 C ATOM 107 CD LYS A 10 9.314 -8.479 0.681 1.00 0.00 C ATOM 108 CE LYS A 10 8.152 -8.643 1.663 1.00 0.00 C ATOM 109 NZ LYS A 10 7.835 -10.076 1.859 1.00 0.00 N ATOM 0 H LYS A 10 11.825 -4.448 0.128 1.00 0.00 H new ATOM 0 HA LYS A 10 9.570 -6.088 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.614 -7.179 -0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.019 -6.375 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.285 -8.756 1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.296 -7.609 2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.027 -7.793 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.537 -9.438 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.410 -8.188 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.274 -8.119 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.044 -10.168 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.569 -10.500 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.669 -10.567 2.239 1.00 0.00 H new ATOM 119 N MET A 11 9.582 -4.503 2.305 1.00 0.00 N ATOM 120 CA MET A 11 8.761 -4.143 3.449 1.00 0.00 C ATOM 121 C MET A 11 7.477 -3.440 3.003 1.00 0.00 C ATOM 122 O MET A 11 6.377 -3.888 3.322 1.00 0.00 O ATOM 123 CB MET A 11 9.553 -3.220 4.376 1.00 0.00 C ATOM 124 CG MET A 11 10.221 -4.014 5.500 1.00 0.00 C ATOM 125 SD MET A 11 10.271 -3.035 6.993 1.00 0.00 S ATOM 126 CE MET A 11 11.718 -2.044 6.665 1.00 0.00 C ATOM 0 H MET A 11 10.454 -3.980 2.224 1.00 0.00 H new ATOM 0 HA MET A 11 8.488 -5.056 3.978 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.311 -2.686 3.803 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.888 -2.469 4.802 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.672 -4.938 5.680 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.232 -4.296 5.206 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.785 -1.243 7.401 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.609 -2.669 6.726 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.645 -1.613 5.666 1.00 0.00 H new ATOM 134 N VAL A 12 7.661 -2.351 2.272 1.00 0.00 N ATOM 135 CA VAL A 12 6.531 -1.582 1.779 1.00 0.00 C ATOM 136 C VAL A 12 5.683 -2.461 0.859 1.00 0.00 C ATOM 137 O VAL A 12 4.474 -2.265 0.748 1.00 0.00 O ATOM 138 CB VAL A 12 7.026 -0.305 1.095 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.282 -0.578 0.266 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.926 0.319 0.235 1.00 0.00 C ATOM 0 H VAL A 12 8.575 -1.983 2.009 1.00 0.00 H new ATOM 0 HA VAL A 12 5.894 -1.267 2.606 1.00 0.00 H new ATOM 0 HB VAL A 12 7.288 0.411 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.612 0.346 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.072 -0.955 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.058 -1.320 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.305 1.225 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.618 -0.391 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.071 0.569 0.863 1.00 0.00 H new ATOM 150 N GLU A 13 6.351 -3.413 0.222 1.00 0.00 N ATOM 151 CA GLU A 13 5.672 -4.323 -0.685 1.00 0.00 C ATOM 152 C GLU A 13 4.470 -4.966 0.009 1.00 0.00 C ATOM 153 O GLU A 13 3.379 -5.022 -0.557 1.00 0.00 O ATOM 154 CB GLU A 13 6.636 -5.389 -1.213 1.00 0.00 C ATOM 155 CG GLU A 13 7.409 -4.876 -2.429 1.00 0.00 C ATOM 156 CD GLU A 13 6.754 -5.343 -3.731 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.505 -5.348 -3.768 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.519 -5.684 -4.659 1.00 0.00 O ATOM 0 H GLU A 13 7.354 -3.573 0.316 1.00 0.00 H new ATOM 0 HA GLU A 13 5.309 -3.751 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.335 -5.673 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.079 -6.286 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.448 -3.787 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.438 -5.232 -2.387 1.00 0.00 H new ATOM 163 N GLU A 14 4.710 -5.436 1.225 1.00 0.00 N ATOM 164 CA GLU A 14 3.660 -6.073 2.001 1.00 0.00 C ATOM 165 C GLU A 14 2.707 -5.019 2.568 1.00 0.00 C ATOM 166 O GLU A 14 1.492 -5.215 2.571 1.00 0.00 O ATOM 167 CB GLU A 14 4.251 -6.936 3.118 1.00 0.00 C ATOM 168 CG GLU A 14 4.388 -6.135 4.414 1.00 0.00 C ATOM 169 CD GLU A 14 5.180 -6.921 5.462 1.00 0.00 C ATOM 170 OE1 GLU A 14 5.716 -7.986 5.088 1.00 0.00 O ATOM 171 OE2 GLU A 14 5.228 -6.440 6.615 1.00 0.00 O ATOM 0 H GLU A 14 5.616 -5.388 1.691 1.00 0.00 H new ATOM 0 HA GLU A 14 3.093 -6.730 1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.614 -7.804 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.228 -7.312 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.888 -5.188 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.399 -5.896 4.804 1.00 0.00 H new ATOM 176 N VAL A 15 3.293 -3.927 3.034 1.00 0.00 N ATOM 177 CA VAL A 15 2.509 -2.842 3.603 1.00 0.00 C ATOM 178 C VAL A 15 1.301 -2.566 2.706 1.00 0.00 C ATOM 179 O VAL A 15 0.164 -2.835 3.091 1.00 0.00 O ATOM 180 CB VAL A 15 3.394 -1.611 3.809 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.546 -0.360 4.052 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.385 -1.833 4.953 1.00 0.00 C ATOM 0 H VAL A 15 4.301 -3.769 3.030 1.00 0.00 H new ATOM 0 HA VAL A 15 2.127 -3.121 4.585 1.00 0.00 H new ATOM 0 HB VAL A 15 3.967 -1.454 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.200 0.500 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.900 -0.186 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.934 -0.503 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.002 -0.943 5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.838 -2.028 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.022 -2.686 4.722 1.00 0.00 H new ATOM 192 N PHE A 16 1.589 -2.035 1.526 1.00 0.00 N ATOM 193 CA PHE A 16 0.539 -1.721 0.572 1.00 0.00 C ATOM 194 C PHE A 16 -0.433 -2.892 0.419 1.00 0.00 C ATOM 195 O PHE A 16 -1.639 -2.688 0.285 1.00 0.00 O ATOM 196 CB PHE A 16 1.221 -1.461 -0.773 1.00 0.00 C ATOM 197 CG PHE A 16 1.822 -0.060 -0.906 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.161 1.015 -0.399 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.018 0.109 -1.532 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.719 2.314 -0.523 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.575 1.410 -1.655 1.00 0.00 C ATOM 202 CZ PHE A 16 2.915 2.485 -1.149 1.00 0.00 C ATOM 0 H PHE A 16 2.533 -1.815 1.210 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.029 -0.856 0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.010 -2.199 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.495 -1.611 -1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.212 0.880 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.543 -0.745 -1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.194 3.167 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.525 1.545 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.339 3.474 -1.244 1.00 0.00 H new ATOM 211 N ASP A 17 0.127 -4.092 0.446 1.00 0.00 N ATOM 212 CA ASP A 17 -0.675 -5.296 0.314 1.00 0.00 C ATOM 213 C ASP A 17 -1.586 -5.434 1.535 1.00 0.00 C ATOM 214 O ASP A 17 -2.808 -5.477 1.400 1.00 0.00 O ATOM 215 CB ASP A 17 0.209 -6.542 0.240 1.00 0.00 C ATOM 216 CG ASP A 17 0.478 -7.063 -1.174 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.318 -6.255 -2.115 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.837 -8.255 -1.280 1.00 0.00 O ATOM 0 H ASP A 17 1.127 -4.256 0.557 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.258 -5.213 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.164 -6.320 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.260 -7.337 0.820 1.00 0.00 H new ATOM 222 N VAL A 18 -0.957 -5.499 2.699 1.00 0.00 N ATOM 223 CA VAL A 18 -1.696 -5.632 3.943 1.00 0.00 C ATOM 224 C VAL A 18 -2.812 -4.587 3.981 1.00 0.00 C ATOM 225 O VAL A 18 -3.979 -4.928 4.169 1.00 0.00 O ATOM 226 CB VAL A 18 -0.739 -5.529 5.132 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.483 -5.102 6.399 1.00 0.00 C ATOM 228 CG2 VAL A 18 0.008 -6.845 5.353 1.00 0.00 C ATOM 0 H VAL A 18 0.057 -5.462 2.807 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.167 -6.613 4.006 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.001 -4.761 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.780 -5.036 7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.946 -4.129 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.254 -5.836 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.681 -6.743 6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.709 -7.642 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.585 -7.090 4.461 1.00 0.00 H new ATOM 238 N LEU A 19 -2.416 -3.336 3.799 1.00 0.00 N ATOM 239 CA LEU A 19 -3.369 -2.240 3.811 1.00 0.00 C ATOM 240 C LEU A 19 -4.492 -2.536 2.815 1.00 0.00 C ATOM 241 O LEU A 19 -5.666 -2.548 3.184 1.00 0.00 O ATOM 242 CB LEU A 19 -2.658 -0.909 3.557 1.00 0.00 C ATOM 243 CG LEU A 19 -1.515 -0.567 4.514 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.155 0.918 4.429 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.850 -0.994 5.945 1.00 0.00 C ATOM 0 H LEU A 19 -1.447 -3.057 3.642 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.830 -2.147 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.264 -0.918 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.397 -0.110 3.605 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.634 -1.131 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.340 1.135 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.844 1.159 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.025 1.519 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.020 -0.739 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.750 -0.477 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.018 -2.071 5.973 1.00 0.00 H new ATOM 256 N TYR A 20 -4.094 -2.768 1.573 1.00 0.00 N ATOM 257 CA TYR A 20 -5.053 -3.063 0.523 1.00 0.00 C ATOM 258 C TYR A 20 -6.033 -4.152 0.965 1.00 0.00 C ATOM 259 O TYR A 20 -7.247 -3.977 0.862 1.00 0.00 O ATOM 260 CB TYR A 20 -4.234 -3.583 -0.662 1.00 0.00 C ATOM 261 CG TYR A 20 -5.081 -4.140 -1.807 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.147 -3.412 -2.295 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.780 -5.372 -2.352 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.944 -3.936 -3.373 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.576 -5.896 -3.431 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.620 -5.153 -3.888 1.00 0.00 C ATOM 267 OH TYR A 20 -7.373 -5.648 -4.906 1.00 0.00 O ATOM 0 H TYR A 20 -3.120 -2.758 1.270 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.634 -2.175 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.613 -2.773 -1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.560 -4.363 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.383 -2.449 -1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.947 -5.943 -1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.780 -3.376 -3.764 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.349 -6.857 -3.868 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.025 -6.524 -5.174 1.00 0.00 H new ATOM 276 N SER A 21 -5.471 -5.250 1.447 1.00 0.00 N ATOM 277 CA SER A 21 -6.281 -6.366 1.906 1.00 0.00 C ATOM 278 C SER A 21 -7.193 -5.915 3.049 1.00 0.00 C ATOM 279 O SER A 21 -8.378 -6.244 3.069 1.00 0.00 O ATOM 280 CB SER A 21 -5.402 -7.535 2.357 1.00 0.00 C ATOM 281 OG SER A 21 -5.925 -8.791 1.931 1.00 0.00 O ATOM 0 H SER A 21 -4.464 -5.391 1.530 1.00 0.00 H new ATOM 0 HA SER A 21 -6.895 -6.709 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.396 -7.407 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.318 -7.527 3.444 1.00 0.00 H new ATOM 0 HG SER A 21 -5.461 -9.515 2.402 1.00 0.00 H new ATOM 286 N GLU A 22 -6.605 -5.170 3.974 1.00 0.00 N ATOM 287 CA GLU A 22 -7.350 -4.672 5.118 1.00 0.00 C ATOM 288 C GLU A 22 -8.623 -3.962 4.653 1.00 0.00 C ATOM 289 O GLU A 22 -9.711 -4.236 5.158 1.00 0.00 O ATOM 290 CB GLU A 22 -6.485 -3.743 5.972 1.00 0.00 C ATOM 291 CG GLU A 22 -5.533 -4.545 6.862 1.00 0.00 C ATOM 292 CD GLU A 22 -5.150 -3.750 8.111 1.00 0.00 C ATOM 293 OE1 GLU A 22 -5.148 -2.503 8.013 1.00 0.00 O ATOM 294 OE2 GLU A 22 -4.866 -4.406 9.137 1.00 0.00 O ATOM 0 H GLU A 22 -5.622 -4.899 3.954 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.637 -5.521 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.911 -3.078 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.123 -3.113 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.006 -5.483 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.635 -4.802 6.301 1.00 0.00 H new ATOM 299 N ALA A 23 -8.446 -3.063 3.695 1.00 0.00 N ATOM 300 CA ALA A 23 -9.567 -2.312 3.157 1.00 0.00 C ATOM 301 C ALA A 23 -10.506 -3.265 2.416 1.00 0.00 C ATOM 302 O ALA A 23 -11.721 -3.069 2.413 1.00 0.00 O ATOM 303 CB ALA A 23 -9.046 -1.190 2.256 1.00 0.00 C ATOM 0 H ALA A 23 -7.543 -2.838 3.278 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.137 -1.846 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.888 -0.627 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.408 -0.523 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.470 -1.619 1.436 1.00 0.00 H new ATOM 309 N LEU A 24 -9.909 -4.279 1.807 1.00 0.00 N ATOM 310 CA LEU A 24 -10.676 -5.265 1.065 1.00 0.00 C ATOM 311 C LEU A 24 -11.429 -6.163 2.047 1.00 0.00 C ATOM 312 O LEU A 24 -12.440 -6.768 1.692 1.00 0.00 O ATOM 313 CB LEU A 24 -9.772 -6.031 0.098 1.00 0.00 C ATOM 314 CG LEU A 24 -9.868 -5.628 -1.374 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.750 -6.274 -2.194 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.252 -5.946 -1.942 1.00 0.00 C ATOM 0 H LEU A 24 -8.902 -4.439 1.812 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.425 -4.775 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.739 -5.905 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.004 -7.093 0.179 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.734 -4.548 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.842 -5.971 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.783 -5.953 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.827 -7.359 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.292 -5.649 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.442 -7.016 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.010 -5.399 -1.381 1.00 0.00 H new ATOM 327 N GLY A 25 -10.908 -6.225 3.264 1.00 0.00 N ATOM 328 CA GLY A 25 -11.518 -7.040 4.300 1.00 0.00 C ATOM 329 C GLY A 25 -11.377 -8.529 3.981 1.00 0.00 C ATOM 330 O GLY A 25 -12.343 -9.284 4.083 1.00 0.00 O ATOM 0 H GLY A 25 -10.069 -5.723 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.049 -6.824 5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.573 -6.783 4.395 1.00 0.00 H new ATOM 334 N ARG A 26 -10.166 -8.907 3.600 1.00 0.00 N ATOM 335 CA ARG A 26 -9.886 -10.293 3.264 1.00 0.00 C ATOM 336 C ARG A 26 -9.214 -10.999 4.443 1.00 0.00 C ATOM 337 O ARG A 26 -8.943 -10.379 5.470 1.00 0.00 O ATOM 338 CB ARG A 26 -8.978 -10.390 2.036 1.00 0.00 C ATOM 339 CG ARG A 26 -9.607 -9.686 0.832 1.00 0.00 C ATOM 340 CD ARG A 26 -9.757 -10.647 -0.349 1.00 0.00 C ATOM 341 NE ARG A 26 -10.581 -10.023 -1.408 1.00 0.00 N ATOM 342 CZ ARG A 26 -11.890 -9.763 -1.285 1.00 0.00 C ATOM 343 NH1 ARG A 26 -12.531 -10.070 -0.150 1.00 0.00 N ATOM 344 NH2 ARG A 26 -12.557 -9.194 -2.298 1.00 0.00 N ATOM 0 H ARG A 26 -9.367 -8.278 3.516 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.836 -10.778 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.010 -9.942 2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.796 -11.437 1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.584 -9.288 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.989 -8.838 0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.775 -10.905 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.220 -11.576 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.124 -9.775 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.023 -10.502 0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.527 -9.872 -0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.069 -8.959 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.553 -8.996 -2.205 1.00 0.00 H new ATOM 355 N ALA A 27 -8.964 -12.287 4.256 1.00 0.00 N ATOM 356 CA ALA A 27 -8.329 -13.084 5.292 1.00 0.00 C ATOM 357 C ALA A 27 -6.834 -13.208 4.989 1.00 0.00 C ATOM 358 O ALA A 27 -6.003 -13.096 5.889 1.00 0.00 O ATOM 359 CB ALA A 27 -9.020 -14.445 5.385 1.00 0.00 C ATOM 0 H ALA A 27 -9.190 -12.798 3.403 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.430 -12.601 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.544 -15.043 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.072 -14.303 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.937 -14.961 4.429 1.00 0.00 H new ATOM 365 N SER A 28 -6.537 -13.440 3.718 1.00 0.00 N ATOM 366 CA SER A 28 -5.158 -13.581 3.285 1.00 0.00 C ATOM 367 C SER A 28 -4.644 -12.250 2.732 1.00 0.00 C ATOM 368 O SER A 28 -5.426 -11.332 2.486 1.00 0.00 O ATOM 369 CB SER A 28 -5.021 -14.681 2.231 1.00 0.00 C ATOM 370 OG SER A 28 -5.734 -15.860 2.596 1.00 0.00 O ATOM 0 H SER A 28 -7.229 -13.534 2.974 1.00 0.00 H new ATOM 0 HA SER A 28 -4.557 -13.865 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.392 -14.314 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.967 -14.922 2.093 1.00 0.00 H new ATOM 0 HG SER A 28 -5.624 -16.538 1.897 1.00 0.00 H new ATOM 375 N VAL A 29 -3.333 -12.186 2.553 1.00 0.00 N ATOM 376 CA VAL A 29 -2.706 -10.983 2.033 1.00 0.00 C ATOM 377 C VAL A 29 -2.589 -11.090 0.512 1.00 0.00 C ATOM 378 O VAL A 29 -1.744 -11.824 0.000 1.00 0.00 O ATOM 379 CB VAL A 29 -1.359 -10.756 2.722 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.697 -9.470 2.222 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.516 -10.737 4.244 1.00 0.00 C ATOM 0 H VAL A 29 -2.687 -12.948 2.759 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.319 -10.108 2.250 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.707 -11.590 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.259 -9.332 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.532 -9.540 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.346 -8.620 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.543 -10.574 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.194 -9.933 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.923 -11.691 4.580 1.00 0.00 H new ATOM 391 N VAL A 30 -3.449 -10.348 -0.170 1.00 0.00 N ATOM 392 CA VAL A 30 -3.454 -10.350 -1.623 1.00 0.00 C ATOM 393 C VAL A 30 -2.482 -9.283 -2.133 1.00 0.00 C ATOM 394 O VAL A 30 -2.140 -8.352 -1.406 1.00 0.00 O ATOM 395 CB VAL A 30 -4.879 -10.158 -2.143 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.694 -11.444 -1.995 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.567 -8.988 -1.436 1.00 0.00 C ATOM 0 H VAL A 30 -4.148 -9.741 0.257 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.111 -11.312 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.819 -9.920 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.704 -11.280 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.219 -12.243 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.741 -11.726 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.579 -8.873 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.609 -9.184 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.003 -8.072 -1.615 1.00 0.00 H new ATOM 407 N PRO A 31 -2.054 -9.460 -3.411 1.00 0.00 N ATOM 408 CA PRO A 31 -1.129 -8.523 -4.027 1.00 0.00 C ATOM 409 C PRO A 31 -1.839 -7.222 -4.407 1.00 0.00 C ATOM 410 O PRO A 31 -3.054 -7.105 -4.253 1.00 0.00 O ATOM 411 CB PRO A 31 -0.561 -9.263 -5.227 1.00 0.00 C ATOM 412 CG PRO A 31 -1.526 -10.404 -5.509 1.00 0.00 C ATOM 413 CD PRO A 31 -2.437 -10.551 -4.302 1.00 0.00 C ATOM 0 HA PRO A 31 -0.331 -8.214 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.476 -8.602 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.439 -9.641 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.110 -10.197 -6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.980 -11.330 -5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.487 -10.479 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.303 -11.520 -3.821 1.00 0.00 H new ATOM 418 N LEU A 32 -1.050 -6.278 -4.898 1.00 0.00 N ATOM 419 CA LEU A 32 -1.588 -4.989 -5.302 1.00 0.00 C ATOM 420 C LEU A 32 -1.253 -4.740 -6.774 1.00 0.00 C ATOM 421 O LEU A 32 -0.127 -4.367 -7.103 1.00 0.00 O ATOM 422 CB LEU A 32 -1.096 -3.885 -4.364 1.00 0.00 C ATOM 423 CG LEU A 32 -1.307 -2.450 -4.849 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.683 -2.287 -5.499 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.088 -1.449 -3.712 1.00 0.00 C ATOM 0 H LEU A 32 -0.043 -6.379 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.675 -4.986 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.599 -4.001 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.031 -4.035 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.562 -2.236 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.807 -1.257 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.764 -2.960 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.459 -2.528 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.244 -0.436 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.794 -1.653 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.070 -1.544 -3.335 1.00 0.00 H new ATOM 436 N PRO A 33 -2.275 -4.962 -7.642 1.00 0.00 N ATOM 437 CA PRO A 33 -2.100 -4.766 -9.071 1.00 0.00 C ATOM 438 C PRO A 33 -2.080 -3.277 -9.421 1.00 0.00 C ATOM 439 O PRO A 33 -3.083 -2.729 -9.877 1.00 0.00 O ATOM 440 CB PRO A 33 -3.256 -5.512 -9.716 1.00 0.00 C ATOM 441 CG PRO A 33 -4.291 -5.705 -8.619 1.00 0.00 C ATOM 442 CD PRO A 33 -3.620 -5.404 -7.288 1.00 0.00 C ATOM 0 HA PRO A 33 -1.146 -5.148 -9.434 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.671 -4.944 -10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.927 -6.471 -10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.142 -5.042 -8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.675 -6.725 -8.631 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.159 -4.632 -6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.591 -6.288 -6.650 1.00 0.00 H new ATOM 447 N TYR A 34 -0.927 -2.664 -9.197 1.00 0.00 N ATOM 448 CA TYR A 34 -0.763 -1.249 -9.484 1.00 0.00 C ATOM 449 C TYR A 34 -1.152 -0.933 -10.929 1.00 0.00 C ATOM 450 O TYR A 34 -1.925 -0.011 -11.180 1.00 0.00 O ATOM 451 CB TYR A 34 0.726 -0.950 -9.292 1.00 0.00 C ATOM 452 CG TYR A 34 1.267 -1.341 -7.916 1.00 0.00 C ATOM 453 CD1 TYR A 34 1.132 -0.475 -6.849 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.889 -2.561 -7.740 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.642 -0.844 -5.554 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.398 -2.929 -6.445 1.00 0.00 C ATOM 457 CZ TYR A 34 2.249 -2.052 -5.415 1.00 0.00 C ATOM 458 OH TYR A 34 2.730 -2.400 -4.192 1.00 0.00 O ATOM 0 H TYR A 34 -0.097 -3.122 -8.820 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.398 -0.649 -8.832 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.294 -1.478 -10.058 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.895 0.115 -9.448 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.644 0.479 -6.986 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.994 -3.239 -8.574 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.544 -0.175 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.887 -3.880 -6.294 1.00 0.00 H new ATOM 0 HH TYR A 34 2.710 -1.620 -3.598 1.00 0.00 H new ATOM 467 N GLU A 35 -0.598 -1.718 -11.843 1.00 0.00 N ATOM 468 CA GLU A 35 -0.877 -1.533 -13.256 1.00 0.00 C ATOM 469 C GLU A 35 -2.372 -1.291 -13.474 1.00 0.00 C ATOM 470 O GLU A 35 -2.759 -0.560 -14.385 1.00 0.00 O ATOM 471 CB GLU A 35 -0.393 -2.733 -14.072 1.00 0.00 C ATOM 472 CG GLU A 35 -1.103 -4.017 -13.637 1.00 0.00 C ATOM 473 CD GLU A 35 -0.500 -5.240 -14.330 1.00 0.00 C ATOM 474 OE1 GLU A 35 0.567 -5.690 -13.859 1.00 0.00 O ATOM 475 OE2 GLU A 35 -1.118 -5.696 -15.316 1.00 0.00 O ATOM 0 H GLU A 35 0.042 -2.483 -11.631 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.331 -0.655 -13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.576 -2.554 -15.132 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.684 -2.850 -13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.024 -4.132 -12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.165 -3.947 -13.874 1.00 0.00 H new ATOM 480 N ARG A 36 -3.172 -1.918 -12.624 1.00 0.00 N ATOM 481 CA ARG A 36 -4.615 -1.779 -12.713 1.00 0.00 C ATOM 482 C ARG A 36 -5.089 -0.605 -11.854 1.00 0.00 C ATOM 483 O ARG A 36 -5.583 0.392 -12.379 1.00 0.00 O ATOM 484 CB ARG A 36 -5.321 -3.057 -12.251 1.00 0.00 C ATOM 485 CG ARG A 36 -5.264 -4.136 -13.334 1.00 0.00 C ATOM 486 CD ARG A 36 -6.623 -4.302 -14.016 1.00 0.00 C ATOM 487 NE ARG A 36 -6.642 -3.561 -15.297 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.549 -3.755 -16.264 1.00 0.00 C ATOM 489 NH1 ARG A 36 -8.517 -4.668 -16.101 1.00 0.00 N ATOM 490 NH2 ARG A 36 -7.488 -3.038 -17.394 1.00 0.00 N ATOM 0 H ARG A 36 -2.848 -2.524 -11.870 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.867 -1.595 -13.757 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.852 -3.427 -11.339 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.360 -2.835 -12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.511 -3.872 -14.076 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.957 -5.084 -12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.822 -5.359 -14.195 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.414 -3.935 -13.362 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.919 -2.858 -15.454 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.563 -5.215 -15.241 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.208 -4.816 -16.837 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.751 -2.344 -17.519 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.179 -3.186 -18.130 1.00 0.00 H new ATOM 501 N LEU A 37 -4.922 -0.762 -10.550 1.00 0.00 N ATOM 502 CA LEU A 37 -5.327 0.274 -9.614 1.00 0.00 C ATOM 503 C LEU A 37 -4.871 1.637 -10.139 1.00 0.00 C ATOM 504 O LEU A 37 -5.621 2.611 -10.080 1.00 0.00 O ATOM 505 CB LEU A 37 -4.816 -0.045 -8.208 1.00 0.00 C ATOM 506 CG LEU A 37 -5.133 -1.446 -7.680 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.267 -1.440 -6.155 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.377 -2.019 -8.363 1.00 0.00 C ATOM 0 H LEU A 37 -4.512 -1.590 -10.119 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.413 0.310 -9.533 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.734 0.090 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.235 0.686 -7.516 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.298 -2.102 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.492 -2.448 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.332 -1.102 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.073 -0.766 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.581 -3.015 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.231 -1.370 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.206 -2.080 -9.438 1.00 0.00 H new ATOM 519 N LEU A 38 -3.645 1.662 -10.641 1.00 0.00 N ATOM 520 CA LEU A 38 -3.081 2.889 -11.177 1.00 0.00 C ATOM 521 C LEU A 38 -4.004 3.436 -12.267 1.00 0.00 C ATOM 522 O LEU A 38 -4.234 4.641 -12.345 1.00 0.00 O ATOM 523 CB LEU A 38 -1.644 2.659 -11.646 1.00 0.00 C ATOM 524 CG LEU A 38 -0.622 2.344 -10.551 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.673 1.794 -11.150 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.371 3.569 -9.669 1.00 0.00 C ATOM 0 H LEU A 38 -3.027 0.852 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.019 3.651 -10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.644 1.837 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.311 3.548 -12.181 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.036 1.564 -9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.381 1.579 -10.350 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.459 0.878 -11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.103 2.532 -11.827 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.359 3.319 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.012 4.386 -10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.305 3.876 -9.198 1.00 0.00 H new ATOM 537 N ARG A 39 -4.508 2.523 -13.085 1.00 0.00 N ATOM 538 CA ARG A 39 -5.401 2.899 -14.167 1.00 0.00 C ATOM 539 C ARG A 39 -6.682 3.520 -13.608 1.00 0.00 C ATOM 540 O ARG A 39 -7.118 4.573 -14.071 1.00 0.00 O ATOM 541 CB ARG A 39 -5.764 1.686 -15.027 1.00 0.00 C ATOM 542 CG ARG A 39 -6.203 2.119 -16.428 1.00 0.00 C ATOM 543 CD ARG A 39 -6.217 0.929 -17.390 1.00 0.00 C ATOM 544 NE ARG A 39 -6.255 1.411 -18.789 1.00 0.00 N ATOM 545 CZ ARG A 39 -5.227 2.010 -19.405 1.00 0.00 C ATOM 546 NH1 ARG A 39 -4.075 2.206 -18.751 1.00 0.00 N ATOM 547 NH2 ARG A 39 -5.352 2.414 -20.677 1.00 0.00 N ATOM 0 H ARG A 39 -4.314 1.524 -13.020 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.881 3.629 -14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.906 1.018 -15.101 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.565 1.123 -14.549 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.197 2.564 -16.380 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.527 2.887 -16.804 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.332 0.313 -17.233 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.084 0.299 -17.190 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.118 1.279 -19.317 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.980 1.899 -17.783 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.293 2.662 -19.221 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.229 2.265 -21.175 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.570 2.870 -21.146 1.00 0.00 H new ATOM 558 N GLU A 40 -7.249 2.843 -12.620 1.00 0.00 N ATOM 559 CA GLU A 40 -8.471 3.316 -11.993 1.00 0.00 C ATOM 560 C GLU A 40 -8.165 3.912 -10.618 1.00 0.00 C ATOM 561 O GLU A 40 -7.906 3.181 -9.663 1.00 0.00 O ATOM 562 CB GLU A 40 -9.503 2.191 -11.886 1.00 0.00 C ATOM 563 CG GLU A 40 -9.289 1.145 -12.981 1.00 0.00 C ATOM 564 CD GLU A 40 -9.645 1.711 -14.357 1.00 0.00 C ATOM 565 OE1 GLU A 40 -8.808 2.471 -14.891 1.00 0.00 O ATOM 566 OE2 GLU A 40 -10.744 1.372 -14.844 1.00 0.00 O ATOM 0 H GLU A 40 -6.884 1.970 -12.238 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.899 4.099 -12.620 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.430 1.718 -10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.508 2.606 -11.966 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.250 0.816 -12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.902 0.267 -12.775 1.00 0.00 H new ATOM 571 N PRO A 41 -8.205 5.271 -10.559 1.00 0.00 N ATOM 572 CA PRO A 41 -7.935 5.974 -9.316 1.00 0.00 C ATOM 573 C PRO A 41 -9.121 5.863 -8.356 1.00 0.00 C ATOM 574 O PRO A 41 -8.934 5.777 -7.143 1.00 0.00 O ATOM 575 CB PRO A 41 -7.639 7.406 -9.732 1.00 0.00 C ATOM 576 CG PRO A 41 -8.206 7.560 -11.134 1.00 0.00 C ATOM 577 CD PRO A 41 -8.507 6.169 -11.669 1.00 0.00 C ATOM 0 HA PRO A 41 -7.094 5.551 -8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.100 8.115 -9.045 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.567 7.602 -9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.112 8.166 -11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.493 8.072 -11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.549 6.080 -11.978 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.895 5.940 -12.542 1.00 0.00 H new ATOM 582 N GLY A 42 -10.313 5.869 -8.933 1.00 0.00 N ATOM 583 CA GLY A 42 -11.528 5.770 -8.143 1.00 0.00 C ATOM 584 C GLY A 42 -11.676 4.372 -7.538 1.00 0.00 C ATOM 585 O GLY A 42 -12.092 4.229 -6.389 1.00 0.00 O ATOM 0 H GLY A 42 -10.464 5.941 -9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.510 6.515 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.392 5.993 -8.769 1.00 0.00 H new ATOM 589 N LEU A 43 -11.329 3.375 -8.339 1.00 0.00 N ATOM 590 CA LEU A 43 -11.418 1.994 -7.897 1.00 0.00 C ATOM 591 C LEU A 43 -10.759 1.859 -6.524 1.00 0.00 C ATOM 592 O LEU A 43 -11.284 1.179 -5.644 1.00 0.00 O ATOM 593 CB LEU A 43 -10.833 1.055 -8.954 1.00 0.00 C ATOM 594 CG LEU A 43 -11.088 -0.438 -8.741 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.513 -0.814 -9.151 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.040 -1.284 -9.466 1.00 0.00 C ATOM 0 H LEU A 43 -10.986 3.496 -9.292 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.461 1.698 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.238 1.337 -9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.756 1.216 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.992 -0.652 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.669 -1.881 -8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.226 -0.249 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.662 -0.581 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.246 -2.341 -9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.078 -1.073 -10.535 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.049 -1.042 -9.083 1.00 0.00 H new ATOM 607 N LEU A 44 -9.619 2.519 -6.381 1.00 0.00 N ATOM 608 CA LEU A 44 -8.883 2.482 -5.129 1.00 0.00 C ATOM 609 C LEU A 44 -7.895 3.648 -5.088 1.00 0.00 C ATOM 610 O LEU A 44 -6.971 3.713 -5.897 1.00 0.00 O ATOM 611 CB LEU A 44 -8.228 1.113 -4.934 1.00 0.00 C ATOM 612 CG LEU A 44 -7.108 1.048 -3.893 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.509 1.777 -2.609 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.693 -0.400 -3.624 1.00 0.00 C ATOM 0 H LEU A 44 -9.187 3.083 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.560 2.609 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.002 0.399 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.826 0.785 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.237 1.563 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.695 1.715 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.716 2.823 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.402 1.312 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.896 -0.418 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.550 -0.961 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.337 -0.854 -4.549 1.00 0.00 H new ATOM 625 N ALA A 45 -8.122 4.541 -4.136 1.00 0.00 N ATOM 626 CA ALA A 45 -7.262 5.702 -3.979 1.00 0.00 C ATOM 627 C ALA A 45 -6.438 5.551 -2.698 1.00 0.00 C ATOM 628 O ALA A 45 -6.989 5.296 -1.628 1.00 0.00 O ATOM 629 CB ALA A 45 -8.114 6.973 -3.977 1.00 0.00 C ATOM 0 H ALA A 45 -8.889 4.484 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.565 5.778 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.469 7.843 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.657 7.049 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.824 6.934 -3.151 1.00 0.00 H new ATOM 635 N VAL A 46 -5.133 5.716 -2.850 1.00 0.00 N ATOM 636 CA VAL A 46 -4.227 5.601 -1.719 1.00 0.00 C ATOM 637 C VAL A 46 -4.105 6.962 -1.030 1.00 0.00 C ATOM 638 O VAL A 46 -3.586 7.912 -1.612 1.00 0.00 O ATOM 639 CB VAL A 46 -2.880 5.042 -2.181 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.915 4.892 -1.003 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.061 3.713 -2.916 1.00 0.00 C ATOM 0 H VAL A 46 -4.680 5.928 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.620 4.898 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.444 5.754 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.965 4.493 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.749 5.866 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.342 4.210 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.088 3.337 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.529 2.989 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.695 3.864 -3.790 1.00 0.00 H new ATOM 651 N GLN A 47 -4.591 7.011 0.202 1.00 0.00 N ATOM 652 CA GLN A 47 -4.544 8.240 0.976 1.00 0.00 C ATOM 653 C GLN A 47 -3.542 8.103 2.126 1.00 0.00 C ATOM 654 O GLN A 47 -3.109 6.998 2.449 1.00 0.00 O ATOM 655 CB GLN A 47 -5.932 8.613 1.500 1.00 0.00 C ATOM 656 CG GLN A 47 -6.864 9.003 0.352 1.00 0.00 C ATOM 657 CD GLN A 47 -6.483 10.369 -0.224 1.00 0.00 C ATOM 658 OE1 GLN A 47 -6.203 11.316 0.492 1.00 0.00 O ATOM 659 NE2 GLN A 47 -6.488 10.415 -1.553 1.00 0.00 N ATOM 0 H GLN A 47 -5.019 6.220 0.683 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.211 9.046 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.356 7.771 2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.849 9.442 2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.817 8.248 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.894 9.029 0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.733 9.584 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.247 11.282 -2.034 1.00 0.00 H new ATOM 666 N GLY A 48 -3.204 9.242 2.712 1.00 0.00 N ATOM 667 CA GLY A 48 -2.262 9.264 3.818 1.00 0.00 C ATOM 668 C GLY A 48 -0.873 8.814 3.364 1.00 0.00 C ATOM 669 O GLY A 48 -0.140 8.185 4.126 1.00 0.00 O ATOM 0 H GLY A 48 -3.566 10.157 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.205 10.271 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.617 8.611 4.616 1.00 0.00 H new ATOM 673 N LEU A 49 -0.552 9.152 2.124 1.00 0.00 N ATOM 674 CA LEU A 49 0.737 8.790 1.559 1.00 0.00 C ATOM 675 C LEU A 49 1.821 9.691 2.156 1.00 0.00 C ATOM 676 O LEU A 49 1.516 10.719 2.759 1.00 0.00 O ATOM 677 CB LEU A 49 0.681 8.826 0.030 1.00 0.00 C ATOM 678 CG LEU A 49 0.237 7.532 -0.655 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.447 7.826 -1.992 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.411 6.564 -0.813 1.00 0.00 C ATOM 0 H LEU A 49 -1.162 9.673 1.494 1.00 0.00 H new ATOM 0 HA LEU A 49 0.994 7.764 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.002 9.624 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.670 9.091 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.499 7.043 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.753 6.889 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.324 8.450 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.248 8.348 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.068 5.653 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.188 7.030 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.815 6.318 0.169 1.00 0.00 H new ATOM 691 N PRO A 50 3.097 9.261 1.961 1.00 0.00 N ATOM 692 CA PRO A 50 4.227 10.015 2.473 1.00 0.00 C ATOM 693 C PRO A 50 4.482 11.264 1.625 1.00 0.00 C ATOM 694 O PRO A 50 4.978 11.167 0.504 1.00 0.00 O ATOM 695 CB PRO A 50 5.392 9.039 2.457 1.00 0.00 C ATOM 696 CG PRO A 50 4.987 7.922 1.509 1.00 0.00 C ATOM 697 CD PRO A 50 3.494 8.048 1.251 1.00 0.00 C ATOM 0 HA PRO A 50 4.057 10.395 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.306 9.527 2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.590 8.651 3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.543 7.994 0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.219 6.950 1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.281 8.126 0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.953 7.177 1.621 1.00 0.00 H new ATOM 702 N GLU A 51 4.131 12.408 2.194 1.00 0.00 N ATOM 703 CA GLU A 51 4.315 13.673 1.504 1.00 0.00 C ATOM 704 C GLU A 51 5.566 13.622 0.624 1.00 0.00 C ATOM 705 O GLU A 51 6.561 12.999 0.991 1.00 0.00 O ATOM 706 CB GLU A 51 4.393 14.833 2.500 1.00 0.00 C ATOM 707 CG GLU A 51 3.063 15.015 3.235 1.00 0.00 C ATOM 708 CD GLU A 51 2.920 16.443 3.764 1.00 0.00 C ATOM 709 OE1 GLU A 51 3.178 17.373 2.969 1.00 0.00 O ATOM 710 OE2 GLU A 51 2.555 16.574 4.953 1.00 0.00 O ATOM 0 H GLU A 51 3.720 12.485 3.125 1.00 0.00 H new ATOM 0 HA GLU A 51 3.451 13.844 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.188 14.645 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.651 15.752 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.237 14.789 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.001 14.309 4.063 1.00 0.00 H new ATOM 715 N GLY A 52 5.473 14.284 -0.519 1.00 0.00 N ATOM 716 CA GLY A 52 6.584 14.321 -1.455 1.00 0.00 C ATOM 717 C GLY A 52 6.782 12.960 -2.125 1.00 0.00 C ATOM 718 O GLY A 52 7.892 12.429 -2.146 1.00 0.00 O ATOM 0 H GLY A 52 4.645 14.799 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.399 15.081 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.496 14.609 -0.932 1.00 0.00 H new ATOM 722 N LEU A 53 5.689 12.434 -2.657 1.00 0.00 N ATOM 723 CA LEU A 53 5.729 11.145 -3.327 1.00 0.00 C ATOM 724 C LEU A 53 4.501 11.007 -4.230 1.00 0.00 C ATOM 725 O LEU A 53 3.768 11.972 -4.440 1.00 0.00 O ATOM 726 CB LEU A 53 5.871 10.014 -2.306 1.00 0.00 C ATOM 727 CG LEU A 53 7.301 9.603 -1.957 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.314 8.328 -1.111 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.155 9.462 -3.218 1.00 0.00 C ATOM 0 H LEU A 53 4.770 12.877 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 53 6.608 11.076 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.366 10.314 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.345 9.139 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 53 7.746 10.395 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.344 8.057 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.764 8.500 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.844 7.517 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.168 9.169 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.722 8.701 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.185 10.415 -3.746 1.00 0.00 H new ATOM 740 N ALA A 54 4.315 9.799 -4.743 1.00 0.00 N ATOM 741 CA ALA A 54 3.190 9.523 -5.619 1.00 0.00 C ATOM 742 C ALA A 54 2.876 8.025 -5.582 1.00 0.00 C ATOM 743 O ALA A 54 3.786 7.197 -5.594 1.00 0.00 O ATOM 744 CB ALA A 54 3.509 10.017 -7.031 1.00 0.00 C ATOM 0 H ALA A 54 4.925 9.001 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 54 2.301 10.055 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.665 9.810 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.696 11.091 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.395 9.503 -7.405 1.00 0.00 H new ATOM 750 N PHE A 55 1.587 7.724 -5.537 1.00 0.00 N ATOM 751 CA PHE A 55 1.143 6.341 -5.498 1.00 0.00 C ATOM 752 C PHE A 55 1.660 5.565 -6.710 1.00 0.00 C ATOM 753 O PHE A 55 1.196 5.773 -7.830 1.00 0.00 O ATOM 754 CB PHE A 55 -0.387 6.362 -5.536 1.00 0.00 C ATOM 755 CG PHE A 55 -1.021 4.994 -5.794 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.629 3.914 -5.065 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.978 4.856 -6.750 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.218 2.644 -5.304 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.567 3.587 -6.990 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.175 2.508 -6.261 1.00 0.00 C ATOM 0 H PHE A 55 0.836 8.414 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 55 1.522 5.854 -4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.759 6.750 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.712 7.054 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.130 4.023 -4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.291 5.713 -7.328 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.906 1.787 -4.726 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.326 3.478 -7.751 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.624 1.542 -6.442 1.00 0.00 H new ATOM 769 N ARG A 56 2.615 4.684 -6.445 1.00 0.00 N ATOM 770 CA ARG A 56 3.201 3.876 -7.501 1.00 0.00 C ATOM 771 C ARG A 56 3.964 2.693 -6.902 1.00 0.00 C ATOM 772 O ARG A 56 4.213 2.656 -5.698 1.00 0.00 O ATOM 773 CB ARG A 56 4.154 4.704 -8.364 1.00 0.00 C ATOM 774 CG ARG A 56 4.895 5.744 -7.521 1.00 0.00 C ATOM 775 CD ARG A 56 6.364 5.841 -7.936 1.00 0.00 C ATOM 776 NE ARG A 56 6.472 6.443 -9.284 1.00 0.00 N ATOM 777 CZ ARG A 56 7.628 6.636 -9.930 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.785 6.277 -9.357 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.629 7.189 -11.151 1.00 0.00 N ATOM 0 H ARG A 56 2.997 4.513 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 56 2.388 3.509 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.874 4.046 -8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.593 5.204 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.417 6.717 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.828 5.477 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.915 6.444 -7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.817 4.850 -7.934 1.00 0.00 H new ATOM 0 HE ARG A 56 5.611 6.729 -9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.785 5.856 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.666 6.424 -9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.749 7.463 -11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.510 7.336 -11.643 1.00 0.00 H new ATOM 790 N ARG A 57 4.313 1.754 -7.769 1.00 0.00 N ATOM 791 CA ARG A 57 5.043 0.573 -7.340 1.00 0.00 C ATOM 792 C ARG A 57 6.046 0.937 -6.244 1.00 0.00 C ATOM 793 O ARG A 57 6.569 2.051 -6.221 1.00 0.00 O ATOM 794 CB ARG A 57 5.788 -0.069 -8.511 1.00 0.00 C ATOM 795 CG ARG A 57 5.047 -1.306 -9.022 1.00 0.00 C ATOM 796 CD ARG A 57 5.314 -1.530 -10.512 1.00 0.00 C ATOM 797 NE ARG A 57 4.223 -2.334 -11.107 1.00 0.00 N ATOM 798 CZ ARG A 57 4.094 -3.659 -10.950 1.00 0.00 C ATOM 799 NH1 ARG A 57 4.989 -4.337 -10.218 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.073 -4.306 -11.527 1.00 0.00 N ATOM 0 H ARG A 57 4.104 1.787 -8.767 1.00 0.00 H new ATOM 0 HA ARG A 57 4.318 -0.141 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.895 0.655 -9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.794 -0.347 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.363 -2.183 -8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.976 -1.188 -8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.391 -0.571 -11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.268 -2.040 -10.646 1.00 0.00 H new ATOM 0 HE ARG A 57 3.526 -1.849 -11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.768 -3.845 -9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.891 -5.345 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.393 -3.790 -12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.975 -5.314 -11.407 1.00 0.00 H new ATOM 811 N PRO A 58 6.291 -0.048 -5.339 1.00 0.00 N ATOM 812 CA PRO A 58 7.222 0.158 -4.244 1.00 0.00 C ATOM 813 C PRO A 58 8.670 0.111 -4.738 1.00 0.00 C ATOM 814 O PRO A 58 9.577 0.591 -4.058 1.00 0.00 O ATOM 815 CB PRO A 58 6.902 -0.940 -3.243 1.00 0.00 C ATOM 816 CG PRO A 58 6.126 -1.995 -4.015 1.00 0.00 C ATOM 817 CD PRO A 58 5.691 -1.378 -5.336 1.00 0.00 C ATOM 0 HA PRO A 58 7.118 1.141 -3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.814 -1.359 -2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.313 -0.552 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.746 -2.874 -4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.259 -2.326 -3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.037 -1.971 -6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.605 -1.323 -5.409 1.00 0.00 H new ATOM 822 N ALA A 59 8.840 -0.468 -5.916 1.00 0.00 N ATOM 823 CA ALA A 59 10.162 -0.583 -6.510 1.00 0.00 C ATOM 824 C ALA A 59 10.492 0.707 -7.263 1.00 0.00 C ATOM 825 O ALA A 59 11.647 1.130 -7.302 1.00 0.00 O ATOM 826 CB ALA A 59 10.210 -1.815 -7.414 1.00 0.00 C ATOM 0 H ALA A 59 8.085 -0.863 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 59 10.920 -0.716 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.201 -1.901 -7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.998 -2.707 -6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.465 -1.716 -8.203 1.00 0.00 H new ATOM 832 N GLU A 60 9.456 1.297 -7.843 1.00 0.00 N ATOM 833 CA GLU A 60 9.623 2.530 -8.594 1.00 0.00 C ATOM 834 C GLU A 60 9.992 3.678 -7.652 1.00 0.00 C ATOM 835 O GLU A 60 10.590 4.666 -8.077 1.00 0.00 O ATOM 836 CB GLU A 60 8.359 2.860 -9.391 1.00 0.00 C ATOM 837 CG GLU A 60 8.233 1.954 -10.618 1.00 0.00 C ATOM 838 CD GLU A 60 8.234 2.774 -11.909 1.00 0.00 C ATOM 839 OE1 GLU A 60 9.213 3.528 -12.101 1.00 0.00 O ATOM 840 OE2 GLU A 60 7.257 2.629 -12.675 1.00 0.00 O ATOM 0 H GLU A 60 8.500 0.944 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 60 10.437 2.393 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.482 2.741 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.385 3.903 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.058 1.242 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.313 1.374 -10.553 1.00 0.00 H new ATOM 845 N TYR A 61 9.619 3.511 -6.392 1.00 0.00 N ATOM 846 CA TYR A 61 9.904 4.521 -5.387 1.00 0.00 C ATOM 847 C TYR A 61 11.408 4.623 -5.122 1.00 0.00 C ATOM 848 O TYR A 61 12.174 3.750 -5.529 1.00 0.00 O ATOM 849 CB TYR A 61 9.203 4.054 -4.109 1.00 0.00 C ATOM 850 CG TYR A 61 7.849 4.721 -3.864 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.690 6.071 -4.102 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.784 3.972 -3.404 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.415 6.698 -3.872 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.509 4.600 -3.173 1.00 0.00 C ATOM 855 CZ TYR A 61 5.388 5.932 -3.418 1.00 0.00 C ATOM 856 OH TYR A 61 4.183 6.524 -3.200 1.00 0.00 O ATOM 0 H TYR A 61 9.122 2.691 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 61 9.559 5.500 -5.719 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.061 2.974 -4.158 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.853 4.252 -3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.523 6.657 -4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.907 2.915 -3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.277 7.753 -4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.668 4.026 -2.813 1.00 0.00 H new ATOM 0 HH TYR A 61 3.659 6.514 -4.028 1.00 0.00 H new ATOM 865 N ASP A 62 11.785 5.695 -4.441 1.00 0.00 N ATOM 866 CA ASP A 62 13.183 5.922 -4.117 1.00 0.00 C ATOM 867 C ASP A 62 13.535 5.164 -2.835 1.00 0.00 C ATOM 868 O ASP A 62 12.689 4.478 -2.264 1.00 0.00 O ATOM 869 CB ASP A 62 13.460 7.407 -3.879 1.00 0.00 C ATOM 870 CG ASP A 62 12.338 8.352 -4.317 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.232 8.219 -3.752 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.614 9.186 -5.206 1.00 0.00 O ATOM 0 H ASP A 62 11.147 6.416 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 62 13.784 5.574 -4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.650 7.560 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.373 7.681 -4.409 1.00 0.00 H new ATOM 876 N PRO A 63 14.817 5.318 -2.410 1.00 0.00 N ATOM 877 CA PRO A 63 15.291 4.656 -1.206 1.00 0.00 C ATOM 878 C PRO A 63 14.755 5.351 0.048 1.00 0.00 C ATOM 879 O PRO A 63 14.210 4.700 0.938 1.00 0.00 O ATOM 880 CB PRO A 63 16.806 4.696 -1.305 1.00 0.00 C ATOM 881 CG PRO A 63 17.129 5.781 -2.321 1.00 0.00 C ATOM 882 CD PRO A 63 15.847 6.123 -3.061 1.00 0.00 C ATOM 0 HA PRO A 63 14.938 3.628 -1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.255 4.921 -0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.202 3.732 -1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.529 6.664 -1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.892 5.436 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.621 7.187 -2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.926 5.883 -4.121 1.00 0.00 H new ATOM 887 N LYS A 64 14.928 6.664 0.078 1.00 0.00 N ATOM 888 CA LYS A 64 14.469 7.453 1.208 1.00 0.00 C ATOM 889 C LYS A 64 12.940 7.428 1.255 1.00 0.00 C ATOM 890 O LYS A 64 12.344 7.633 2.312 1.00 0.00 O ATOM 891 CB LYS A 64 15.059 8.864 1.151 1.00 0.00 C ATOM 892 CG LYS A 64 16.489 8.883 1.696 1.00 0.00 C ATOM 893 CD LYS A 64 17.507 9.000 0.560 1.00 0.00 C ATOM 894 CE LYS A 64 18.744 9.779 1.011 1.00 0.00 C ATOM 895 NZ LYS A 64 18.549 11.231 0.799 1.00 0.00 N ATOM 0 H LYS A 64 15.380 7.201 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 64 14.824 7.021 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.053 9.223 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.436 9.546 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.609 9.720 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.677 7.973 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.801 8.005 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.049 9.500 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.940 9.583 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.618 9.439 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.398 11.744 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.384 11.415 -0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.728 11.555 1.349 1.00 0.00 H new ATOM 905 N ALA A 65 12.349 7.175 0.097 1.00 0.00 N ATOM 906 CA ALA A 65 10.900 7.119 -0.008 1.00 0.00 C ATOM 907 C ALA A 65 10.382 5.919 0.787 1.00 0.00 C ATOM 908 O ALA A 65 9.566 6.076 1.694 1.00 0.00 O ATOM 909 CB ALA A 65 10.496 7.062 -1.481 1.00 0.00 C ATOM 0 H ALA A 65 12.847 7.006 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 65 10.449 8.016 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.410 7.020 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.862 7.951 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.927 6.174 -1.943 1.00 0.00 H new ATOM 915 N LEU A 66 10.876 4.747 0.416 1.00 0.00 N ATOM 916 CA LEU A 66 10.473 3.520 1.082 1.00 0.00 C ATOM 917 C LEU A 66 10.577 3.710 2.598 1.00 0.00 C ATOM 918 O LEU A 66 9.669 3.334 3.338 1.00 0.00 O ATOM 919 CB LEU A 66 11.280 2.333 0.555 1.00 0.00 C ATOM 920 CG LEU A 66 11.157 2.053 -0.944 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.167 0.993 -1.388 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.723 1.668 -1.316 1.00 0.00 C ATOM 0 H LEU A 66 11.552 4.621 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 66 9.431 3.291 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.331 2.501 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.972 1.440 1.098 1.00 0.00 H new ATOM 0 HG LEU A 66 11.394 2.971 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.059 0.812 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.178 1.344 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.985 0.066 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.664 1.475 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.434 0.771 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.048 2.484 -1.057 1.00 0.00 H new ATOM 933 N MET A 67 11.691 4.292 3.013 1.00 0.00 N ATOM 934 CA MET A 67 11.926 4.536 4.427 1.00 0.00 C ATOM 935 C MET A 67 10.896 5.515 4.993 1.00 0.00 C ATOM 936 O MET A 67 10.542 5.437 6.168 1.00 0.00 O ATOM 937 CB MET A 67 13.333 5.106 4.619 1.00 0.00 C ATOM 938 CG MET A 67 14.378 3.989 4.650 1.00 0.00 C ATOM 939 SD MET A 67 16.021 4.689 4.659 1.00 0.00 S ATOM 940 CE MET A 67 16.405 4.600 2.918 1.00 0.00 C ATOM 0 H MET A 67 12.442 4.602 2.396 1.00 0.00 H new ATOM 0 HA MET A 67 11.831 3.590 4.961 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.561 5.800 3.810 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.375 5.674 5.548 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.233 3.369 5.535 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.255 3.341 3.783 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.309 4.008 2.775 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.577 4.132 2.386 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.564 5.606 2.529 1.00 0.00 H new ATOM 948 N ALA A 68 10.445 6.413 4.130 1.00 0.00 N ATOM 949 CA ALA A 68 9.463 7.407 4.529 1.00 0.00 C ATOM 950 C ALA A 68 8.071 6.771 4.528 1.00 0.00 C ATOM 951 O ALA A 68 7.204 7.163 5.308 1.00 0.00 O ATOM 952 CB ALA A 68 9.551 8.616 3.596 1.00 0.00 C ATOM 0 H ALA A 68 10.741 6.473 3.156 1.00 0.00 H new ATOM 0 HA ALA A 68 9.664 7.760 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.814 9.361 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.550 9.049 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.352 8.300 2.572 1.00 0.00 H new ATOM 958 N ILE A 69 7.900 5.799 3.643 1.00 0.00 N ATOM 959 CA ILE A 69 6.629 5.105 3.531 1.00 0.00 C ATOM 960 C ILE A 69 6.396 4.267 4.789 1.00 0.00 C ATOM 961 O ILE A 69 5.276 4.195 5.293 1.00 0.00 O ATOM 962 CB ILE A 69 6.575 4.294 2.234 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.768 5.197 1.014 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.280 3.484 2.147 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.483 4.450 -0.114 1.00 0.00 C ATOM 0 H ILE A 69 8.621 5.476 2.997 1.00 0.00 H new ATOM 0 HA ILE A 69 5.809 5.821 3.469 1.00 0.00 H new ATOM 0 HB ILE A 69 7.401 3.582 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.799 5.552 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.346 6.077 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.267 2.917 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.223 2.797 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.426 4.160 2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.607 5.115 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.462 4.118 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.890 3.585 -0.410 1.00 0.00 H new ATOM 976 N LEU A 70 7.472 3.655 5.262 1.00 0.00 N ATOM 977 CA LEU A 70 7.399 2.826 6.452 1.00 0.00 C ATOM 978 C LEU A 70 7.149 3.714 7.673 1.00 0.00 C ATOM 979 O LEU A 70 6.550 3.274 8.653 1.00 0.00 O ATOM 980 CB LEU A 70 8.650 1.952 6.573 1.00 0.00 C ATOM 981 CG LEU A 70 9.056 1.185 5.314 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.579 1.104 5.189 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.404 -0.197 5.279 1.00 0.00 C ATOM 0 H LEU A 70 8.399 3.717 4.842 1.00 0.00 H new ATOM 0 HA LEU A 70 6.559 2.134 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.484 2.586 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.491 1.233 7.377 1.00 0.00 H new ATOM 0 HG LEU A 70 8.690 1.735 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.841 0.554 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.994 2.111 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.989 0.590 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.710 -0.721 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.717 -0.769 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.319 -0.088 5.286 1.00 0.00 H new ATOM 994 N GLU A 71 7.621 4.948 7.574 1.00 0.00 N ATOM 995 CA GLU A 71 7.456 5.902 8.657 1.00 0.00 C ATOM 996 C GLU A 71 6.060 6.525 8.607 1.00 0.00 C ATOM 997 O GLU A 71 5.426 6.720 9.643 1.00 0.00 O ATOM 998 CB GLU A 71 8.540 6.980 8.608 1.00 0.00 C ATOM 999 CG GLU A 71 9.807 6.517 9.329 1.00 0.00 C ATOM 1000 CD GLU A 71 10.589 7.709 9.887 1.00 0.00 C ATOM 1001 OE1 GLU A 71 9.932 8.582 10.495 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.823 7.720 9.692 1.00 0.00 O ATOM 0 H GLU A 71 8.118 5.309 6.760 1.00 0.00 H new ATOM 0 HA GLU A 71 7.562 5.370 9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.774 7.218 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.169 7.895 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.541 5.840 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.437 5.955 8.640 1.00 0.00 H new ATOM 1007 N HIS A 72 5.622 6.822 7.393 1.00 0.00 N ATOM 1008 CA HIS A 72 4.313 7.420 7.195 1.00 0.00 C ATOM 1009 C HIS A 72 3.255 6.319 7.102 1.00 0.00 C ATOM 1010 O HIS A 72 2.057 6.598 7.142 1.00 0.00 O ATOM 1011 CB HIS A 72 4.316 8.343 5.974 1.00 0.00 C ATOM 1012 CG HIS A 72 5.273 9.505 6.086 1.00 0.00 C ATOM 1013 ND1 HIS A 72 4.952 10.784 5.665 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.545 9.569 6.575 1.00 0.00 C ATOM 1015 CE1 HIS A 72 5.991 11.573 5.895 1.00 0.00 C ATOM 1016 NE2 HIS A 72 6.977 10.818 6.459 1.00 0.00 N ATOM 0 H HIS A 72 6.151 6.660 6.536 1.00 0.00 H new ATOM 0 HA HIS A 72 4.062 8.046 8.051 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.572 7.759 5.090 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.308 8.729 5.820 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.105 8.743 6.987 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.047 12.629 5.675 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.895 11.158 6.745 1.00 0.00 H new ATOM 1023 N SER A 73 3.735 5.089 6.980 1.00 0.00 N ATOM 1024 CA SER A 73 2.845 3.945 6.881 1.00 0.00 C ATOM 1025 C SER A 73 1.832 3.970 8.027 1.00 0.00 C ATOM 1026 O SER A 73 0.783 3.331 7.948 1.00 0.00 O ATOM 1027 CB SER A 73 3.632 2.633 6.898 1.00 0.00 C ATOM 1028 OG SER A 73 3.305 1.828 8.027 1.00 0.00 O ATOM 0 H SER A 73 4.729 4.861 6.948 1.00 0.00 H new ATOM 0 HA SER A 73 2.313 4.007 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.427 2.076 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.700 2.851 6.906 1.00 0.00 H new ATOM 0 HG SER A 73 3.827 0.999 8.000 1.00 0.00 H new ATOM 1033 N HIS A 74 2.179 4.714 9.067 1.00 0.00 N ATOM 1034 CA HIS A 74 1.313 4.831 10.228 1.00 0.00 C ATOM 1035 C HIS A 74 0.084 5.667 9.868 1.00 0.00 C ATOM 1036 O HIS A 74 -0.946 5.582 10.535 1.00 0.00 O ATOM 1037 CB HIS A 74 2.083 5.392 11.425 1.00 0.00 C ATOM 1038 CG HIS A 74 2.368 6.872 11.333 1.00 0.00 C ATOM 1039 ND1 HIS A 74 3.646 7.395 11.412 1.00 0.00 N ATOM 1040 CD2 HIS A 74 1.527 7.933 11.167 1.00 0.00 C ATOM 1041 CE1 HIS A 74 3.568 8.712 11.298 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.254 9.044 11.147 1.00 0.00 N ATOM 0 H HIS A 74 3.049 5.242 9.130 1.00 0.00 H new ATOM 0 HA HIS A 74 0.962 3.843 10.527 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.513 5.198 12.334 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.027 4.856 11.520 1.00 0.00 H new ATOM 0 HD1 HIS A 74 4.504 6.857 11.537 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.453 7.879 11.069 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.399 9.402 11.321 1.00 0.00 H new ATOM 1049 N ARG A 75 0.232 6.456 8.815 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.854 7.308 8.359 1.00 0.00 C ATOM 1051 C ARG A 75 -1.333 6.861 6.975 1.00 0.00 C ATOM 1052 O ARG A 75 -2.282 7.425 6.432 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.415 8.771 8.290 1.00 0.00 C ATOM 1054 CG ARG A 75 0.861 8.924 7.460 1.00 0.00 C ATOM 1055 CD ARG A 75 1.102 10.388 7.088 1.00 0.00 C ATOM 1056 NE ARG A 75 0.609 10.650 5.718 1.00 0.00 N ATOM 1057 CZ ARG A 75 0.230 11.857 5.275 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.285 12.918 6.090 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -0.205 12.001 4.015 1.00 0.00 N ATOM 0 H ARG A 75 1.088 6.524 8.264 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.669 7.219 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.212 9.373 7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.245 9.151 9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.713 8.543 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.784 8.323 6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.593 11.041 7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.166 10.617 7.151 1.00 0.00 H new ATOM 0 HE ARG A 75 0.554 9.864 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.616 12.808 7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.004 13.836 5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.247 11.193 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.494 12.919 3.677 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.655 5.853 6.447 1.00 0.00 N ATOM 1071 CA ILE A 76 -1.000 5.325 5.138 1.00 0.00 C ATOM 1072 C ILE A 76 -2.294 4.516 5.243 1.00 0.00 C ATOM 1073 O ILE A 76 -2.347 3.510 5.950 1.00 0.00 O ATOM 1074 CB ILE A 76 0.172 4.535 4.553 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.351 5.456 4.237 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.267 3.725 3.331 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.410 4.727 3.406 1.00 0.00 C ATOM 0 H ILE A 76 0.131 5.388 6.901 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.188 6.139 4.438 1.00 0.00 H new ATOM 0 HB ILE A 76 0.513 3.823 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.997 6.332 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.796 5.815 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.585 3.173 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.050 3.024 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.650 4.400 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.237 5.405 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.779 3.865 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.968 4.391 2.468 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.309 4.986 4.530 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.600 4.319 4.536 1.00 0.00 C ATOM 1090 C ARG A 77 -5.138 4.196 3.109 1.00 0.00 C ATOM 1091 O ARG A 77 -5.022 5.128 2.315 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.611 5.085 5.391 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.442 4.747 6.873 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.632 5.253 7.691 1.00 0.00 C ATOM 1095 NE ARG A 77 -6.809 4.418 8.899 1.00 0.00 N ATOM 1096 CZ ARG A 77 -7.130 3.118 8.873 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -7.312 2.496 7.699 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -7.269 2.438 10.020 1.00 0.00 N ATOM 0 H ARG A 77 -3.263 5.820 3.945 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.460 3.326 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.481 6.157 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.624 4.839 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.345 3.668 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.522 5.194 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.471 6.292 7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.538 5.227 7.085 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.678 4.860 9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.206 3.013 6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.556 1.506 7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.130 2.911 10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.514 1.448 10.000 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.717 3.038 2.827 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.274 2.780 1.510 1.00 0.00 C ATOM 1111 C PHE A 78 -7.751 3.177 1.453 1.00 0.00 C ATOM 1112 O PHE A 78 -8.449 3.135 2.465 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.152 1.276 1.259 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.775 0.839 0.755 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.653 1.217 1.424 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.673 0.072 -0.364 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.376 0.811 0.956 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.395 -0.333 -0.832 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.274 0.044 -0.162 1.00 0.00 C ATOM 0 H PHE A 78 -5.812 2.268 3.489 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.739 3.362 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.374 0.744 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.906 0.977 0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.734 1.826 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.563 -0.229 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.485 1.111 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.314 -0.941 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.302 -0.266 -0.518 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.183 3.553 0.259 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.564 3.957 0.056 1.00 0.00 C ATOM 1130 C LYS A 79 -10.130 3.226 -1.164 1.00 0.00 C ATOM 1131 O LYS A 79 -9.660 3.423 -2.283 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.668 5.480 -0.037 1.00 0.00 C ATOM 1133 CG LYS A 79 -9.946 6.095 1.337 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.451 6.175 1.607 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.055 7.431 0.975 1.00 0.00 C ATOM 1136 NZ LYS A 79 -12.259 8.479 2.000 1.00 0.00 N ATOM 0 H LYS A 79 -7.601 3.587 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.175 3.671 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.741 5.887 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.465 5.752 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.465 5.497 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.510 7.093 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.944 5.289 1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.632 6.182 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.396 7.804 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.006 7.186 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.669 9.325 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.906 8.126 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.345 8.724 2.432 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.133 2.399 -0.906 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.768 1.638 -1.968 1.00 0.00 C ATOM 1148 C LEU A 80 -12.995 2.400 -2.471 1.00 0.00 C ATOM 1149 O LEU A 80 -13.654 3.100 -1.703 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.077 0.215 -1.497 1.00 0.00 C ATOM 1151 CG LEU A 80 -10.903 -0.766 -1.510 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.331 -2.140 -0.990 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.274 -0.850 -2.902 1.00 0.00 C ATOM 0 H LEU A 80 -11.521 2.240 0.024 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.091 1.528 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.470 0.267 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.870 -0.190 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.136 -0.390 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.478 -2.818 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.695 -2.045 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.125 -2.537 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.442 -1.554 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.021 -1.190 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.910 0.134 -3.197 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.266 2.240 -3.758 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.402 2.903 -4.373 1.00 0.00 C ATOM 1166 C LYS A 81 -15.637 2.713 -3.490 1.00 0.00 C ATOM 1167 O LYS A 81 -15.895 1.612 -3.007 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.594 2.417 -5.811 1.00 0.00 C ATOM 1169 CG LYS A 81 -14.946 0.929 -5.845 1.00 0.00 C ATOM 1170 CD LYS A 81 -16.055 0.650 -6.861 1.00 0.00 C ATOM 1171 CE LYS A 81 -16.927 -0.524 -6.413 1.00 0.00 C ATOM 1172 NZ LYS A 81 -18.343 -0.108 -6.307 1.00 0.00 N ATOM 0 H LYS A 81 -12.717 1.660 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.223 3.976 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.386 2.993 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.682 2.592 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.060 0.348 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.265 0.605 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.672 1.540 -6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.615 0.430 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.835 -1.345 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.578 -0.897 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.921 -0.917 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.428 0.660 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.677 0.226 -7.234 1.00 0.00 H new ATOM 1182 N ARG A 82 -16.368 3.803 -3.307 1.00 0.00 N ATOM 1183 CA ARG A 82 -17.570 3.770 -2.490 1.00 0.00 C ATOM 1184 C ARG A 82 -18.461 4.972 -2.809 1.00 0.00 C ATOM 1185 O ARG A 82 -17.972 6.090 -2.962 1.00 0.00 O ATOM 1186 CB ARG A 82 -17.224 3.781 -1.000 1.00 0.00 C ATOM 1187 CG ARG A 82 -17.278 2.369 -0.414 1.00 0.00 C ATOM 1188 CD ARG A 82 -15.986 2.036 0.337 1.00 0.00 C ATOM 1189 NE ARG A 82 -16.290 1.213 1.528 1.00 0.00 N ATOM 1190 CZ ARG A 82 -16.762 -0.040 1.474 1.00 0.00 C ATOM 1191 NH1 ARG A 82 -16.986 -0.621 0.288 1.00 0.00 N ATOM 1192 NH2 ARG A 82 -17.009 -0.712 2.607 1.00 0.00 N ATOM 0 H ARG A 82 -16.151 4.714 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 82 -18.102 2.847 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.228 4.200 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.921 4.427 -0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.128 2.285 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.435 1.645 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.302 1.500 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.484 2.955 0.639 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.130 1.625 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.797 -0.110 -0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.345 -1.575 0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.838 -0.270 3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.368 -1.666 2.566 1.00 0.00 H new ATOM 1203 N PRO A 83 -19.789 4.694 -2.902 1.00 0.00 N ATOM 1204 CA PRO A 83 -20.754 5.739 -3.200 1.00 0.00 C ATOM 1205 C PRO A 83 -20.991 6.630 -1.979 1.00 0.00 C ATOM 1206 O PRO A 83 -22.069 6.605 -1.387 1.00 0.00 O ATOM 1207 CB PRO A 83 -22.005 5.003 -3.650 1.00 0.00 C ATOM 1208 CG PRO A 83 -21.853 3.577 -3.147 1.00 0.00 C ATOM 1209 CD PRO A 83 -20.405 3.382 -2.727 1.00 0.00 C ATOM 0 HA PRO A 83 -20.409 6.421 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -22.901 5.469 -3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -22.103 5.026 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -22.522 3.396 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -22.123 2.866 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -20.334 3.046 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -19.913 2.628 -3.341 1.00 0.00 H new ATOM 1214 N SER A 84 -19.966 7.397 -1.639 1.00 0.00 N ATOM 1215 CA SER A 84 -20.048 8.295 -0.498 1.00 0.00 C ATOM 1216 C SER A 84 -20.046 9.749 -0.976 1.00 0.00 C ATOM 1217 O SER A 84 -19.774 10.021 -2.144 1.00 0.00 O ATOM 1218 CB SER A 84 -18.895 8.054 0.477 1.00 0.00 C ATOM 1219 OG SER A 84 -17.645 8.482 -0.057 1.00 0.00 O ATOM 0 H SER A 84 -19.074 7.416 -2.133 1.00 0.00 H new ATOM 0 HA SER A 84 -20.980 8.094 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.092 8.584 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.841 6.993 0.719 1.00 0.00 H new ATOM 0 HG SER A 84 -16.935 8.312 0.597 1.00 0.00 H new ATOM 1224 N SER A 85 -20.351 10.644 -0.048 1.00 0.00 N ATOM 1225 CA SER A 85 -20.388 12.062 -0.360 1.00 0.00 C ATOM 1226 C SER A 85 -19.258 12.788 0.374 1.00 0.00 C ATOM 1227 O SER A 85 -19.468 13.341 1.452 1.00 0.00 O ATOM 1228 CB SER A 85 -21.740 12.673 0.012 1.00 0.00 C ATOM 1229 OG SER A 85 -22.055 12.477 1.387 1.00 0.00 O ATOM 0 H SER A 85 -20.575 10.414 0.920 1.00 0.00 H new ATOM 0 HA SER A 85 -20.250 12.180 -1.435 1.00 0.00 H new ATOM 0 HB2 SER A 85 -21.728 13.740 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 85 -22.521 12.229 -0.605 1.00 0.00 H new ATOM 0 HG SER A 85 -21.270 12.686 1.935 1.00 0.00 H new ATOM 1234 N GLY A 86 -18.085 12.762 -0.240 1.00 0.00 N ATOM 1235 CA GLY A 86 -16.921 13.411 0.341 1.00 0.00 C ATOM 1236 C GLY A 86 -16.237 14.325 -0.677 1.00 0.00 C ATOM 1237 O GLY A 86 -15.403 13.874 -1.460 1.00 0.00 O ATOM 0 H GLY A 86 -17.915 12.302 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.222 13.992 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.216 12.656 0.689 1.00 0.00 H new ATOM 1241 N PRO A 87 -16.626 15.627 -0.632 1.00 0.00 N ATOM 1242 CA PRO A 87 -16.060 16.609 -1.541 1.00 0.00 C ATOM 1243 C PRO A 87 -14.635 16.984 -1.125 1.00 0.00 C ATOM 1244 O PRO A 87 -13.758 17.141 -1.973 1.00 0.00 O ATOM 1245 CB PRO A 87 -17.021 17.787 -1.497 1.00 0.00 C ATOM 1246 CG PRO A 87 -17.833 17.614 -0.224 1.00 0.00 C ATOM 1247 CD PRO A 87 -17.611 16.198 0.281 1.00 0.00 C ATOM 0 HA PRO A 87 -15.960 16.232 -2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.479 18.733 -1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -17.668 17.797 -2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -17.524 18.340 0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -18.891 17.788 -0.419 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -17.246 16.197 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -18.538 15.625 0.272 1.00 0.00 H new ATOM 1252 N SER A 88 -14.449 17.117 0.180 1.00 0.00 N ATOM 1253 CA SER A 88 -13.147 17.470 0.719 1.00 0.00 C ATOM 1254 C SER A 88 -12.684 18.805 0.133 1.00 0.00 C ATOM 1255 O SER A 88 -12.064 18.841 -0.929 1.00 0.00 O ATOM 1256 CB SER A 88 -12.116 16.377 0.429 1.00 0.00 C ATOM 1257 OG SER A 88 -11.514 15.881 1.621 1.00 0.00 O ATOM 0 H SER A 88 -15.179 16.986 0.880 1.00 0.00 H new ATOM 0 HA SER A 88 -13.239 17.567 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.598 15.556 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.343 16.773 -0.230 1.00 0.00 H new ATOM 0 HG SER A 88 -10.864 15.184 1.393 1.00 0.00 H new ATOM 1262 N SER A 89 -13.002 19.873 0.851 1.00 0.00 N ATOM 1263 CA SER A 89 -12.626 21.207 0.416 1.00 0.00 C ATOM 1264 C SER A 89 -11.433 21.707 1.233 1.00 0.00 C ATOM 1265 O SER A 89 -11.571 22.013 2.416 1.00 0.00 O ATOM 1266 CB SER A 89 -13.801 22.179 0.543 1.00 0.00 C ATOM 1267 OG SER A 89 -13.762 23.197 -0.454 1.00 0.00 O ATOM 0 H SER A 89 -13.516 19.841 1.731 1.00 0.00 H new ATOM 0 HA SER A 89 -12.343 21.157 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.738 21.628 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.786 22.639 1.531 1.00 0.00 H new ATOM 0 HG SER A 89 -14.529 23.796 -0.340 1.00 0.00 H new ATOM 1272 N GLY A 90 -10.288 21.773 0.569 1.00 0.00 N ATOM 1273 CA GLY A 90 -9.072 22.230 1.219 1.00 0.00 C ATOM 1274 C GLY A 90 -7.910 22.294 0.225 1.00 0.00 C ATOM 1275 O GLY A 90 -8.080 22.749 -0.905 1.00 0.00 O ATOM 0 H GLY A 90 -10.177 21.518 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.237 23.215 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.818 21.557 2.038 1.00 0.00 H new TER 1279 GLY A 90