USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 288 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 SER N :NH3+ -112:sc= 0.0759 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0473 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0996 USER MOD Single : A 8 THR OG1 : rot 48:sc= -0.361 USER MOD Single : A 12 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.15) USER MOD Single : A 14 HIS : no HE2:sc= -3.11! C(o=-3.1!,f=-4.1!) USER MOD Single : A 15 GLN : amide:sc= 0.07 X(o=0.07,f=-0.32) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.22) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.818 2.265 -6.530 1.00 0.00 N ATOM 2 CA SER A 1 -25.589 1.781 -5.830 1.00 0.00 C ATOM 3 C SER A 1 -25.673 0.269 -5.586 1.00 0.00 C ATOM 4 O SER A 1 -26.719 -0.335 -5.741 1.00 0.00 O ATOM 5 CB SER A 1 -25.557 2.539 -4.501 1.00 0.00 C ATOM 6 OG SER A 1 -24.264 2.416 -3.921 1.00 0.00 O ATOM 0 H1 SER A 1 -26.572 2.568 -7.494 1.00 0.00 H new ATOM 0 H2 SER A 1 -27.517 1.496 -6.576 1.00 0.00 H new ATOM 0 H3 SER A 1 -27.222 3.069 -6.007 1.00 0.00 H new ATOM 0 HA SER A 1 -24.688 1.956 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 1 -25.797 3.590 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 1 -26.312 2.140 -3.823 1.00 0.00 H new ATOM 0 HG SER A 1 -24.240 2.902 -3.070 1.00 0.00 H new ATOM 11 N ASP A 2 -24.580 -0.341 -5.202 1.00 0.00 N ATOM 12 CA ASP A 2 -24.587 -1.814 -4.945 1.00 0.00 C ATOM 13 C ASP A 2 -24.431 -2.096 -3.444 1.00 0.00 C ATOM 14 O ASP A 2 -23.703 -2.986 -3.044 1.00 0.00 O ATOM 15 CB ASP A 2 -23.388 -2.356 -5.729 1.00 0.00 C ATOM 16 CG ASP A 2 -23.733 -2.421 -7.219 1.00 0.00 C ATOM 17 OD1 ASP A 2 -23.613 -1.402 -7.880 1.00 0.00 O ATOM 18 OD2 ASP A 2 -24.113 -3.487 -7.673 1.00 0.00 O ATOM 0 H ASP A 2 -23.681 0.118 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.521 -2.284 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -22.520 -1.715 -5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -23.121 -3.348 -5.364 1.00 0.00 H new ATOM 23 N LEU A 3 -25.118 -1.341 -2.615 1.00 0.00 N ATOM 24 CA LEU A 3 -25.033 -1.543 -1.131 1.00 0.00 C ATOM 25 C LEU A 3 -23.566 -1.615 -0.667 1.00 0.00 C ATOM 26 O LEU A 3 -23.119 -2.634 -0.173 1.00 0.00 O ATOM 27 CB LEU A 3 -25.758 -2.866 -0.872 1.00 0.00 C ATOM 28 CG LEU A 3 -26.121 -2.980 0.612 1.00 0.00 C ATOM 29 CD1 LEU A 3 -27.160 -1.916 0.974 1.00 0.00 C ATOM 30 CD2 LEU A 3 -26.700 -4.372 0.887 1.00 0.00 C ATOM 0 H LEU A 3 -25.739 -0.587 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 3 -25.482 -0.717 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -26.660 -2.922 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -25.123 -3.702 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 3 -25.226 -2.829 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -27.415 -2.001 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -26.750 -0.925 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -28.056 -2.063 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -26.959 -4.456 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -27.594 -4.521 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -25.959 -5.131 0.634 1.00 0.00 H new ATOM 42 N PRO A 4 -22.865 -0.520 -0.843 1.00 0.00 N ATOM 43 CA PRO A 4 -21.447 -0.442 -0.445 1.00 0.00 C ATOM 44 C PRO A 4 -21.323 0.075 0.998 1.00 0.00 C ATOM 45 O PRO A 4 -22.271 0.034 1.761 1.00 0.00 O ATOM 46 CB PRO A 4 -20.874 0.560 -1.449 1.00 0.00 C ATOM 47 CG PRO A 4 -22.037 1.404 -1.897 1.00 0.00 C ATOM 48 CD PRO A 4 -23.312 0.742 -1.424 1.00 0.00 C ATOM 0 HA PRO A 4 -20.929 -1.401 -0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.099 1.174 -0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.415 0.047 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.957 2.411 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.040 1.502 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -23.831 1.357 -0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -24.005 0.577 -2.249 1.00 0.00 H new ATOM 56 N ALA A 5 -20.156 0.558 1.369 1.00 0.00 N ATOM 57 CA ALA A 5 -19.930 1.089 2.760 1.00 0.00 C ATOM 58 C ALA A 5 -20.008 -0.027 3.824 1.00 0.00 C ATOM 59 O ALA A 5 -19.861 0.236 5.003 1.00 0.00 O ATOM 60 CB ALA A 5 -21.031 2.130 2.990 1.00 0.00 C ATOM 0 H ALA A 5 -19.339 0.608 0.760 1.00 0.00 H new ATOM 0 HA ALA A 5 -18.933 1.519 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -20.925 2.557 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -20.945 2.921 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -22.007 1.653 2.902 1.00 0.00 H new ATOM 66 N LEU A 6 -20.231 -1.261 3.431 1.00 0.00 N ATOM 67 CA LEU A 6 -20.310 -2.371 4.435 1.00 0.00 C ATOM 68 C LEU A 6 -19.501 -3.597 3.970 1.00 0.00 C ATOM 69 O LEU A 6 -19.481 -4.618 4.635 1.00 0.00 O ATOM 70 CB LEU A 6 -21.800 -2.715 4.524 1.00 0.00 C ATOM 71 CG LEU A 6 -22.250 -2.674 5.987 1.00 0.00 C ATOM 72 CD1 LEU A 6 -22.667 -1.248 6.356 1.00 0.00 C ATOM 73 CD2 LEU A 6 -23.440 -3.618 6.181 1.00 0.00 C ATOM 0 H LEU A 6 -20.361 -1.546 2.460 1.00 0.00 H new ATOM 0 HA LEU A 6 -19.894 -2.076 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.383 -2.008 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.981 -3.705 4.105 1.00 0.00 H new ATOM 0 HG LEU A 6 -21.426 -2.988 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -22.987 -1.221 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -21.821 -0.574 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -23.490 -0.932 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -23.761 -3.590 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.263 -3.303 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.145 -4.634 5.920 1.00 0.00 H new ATOM 85 N SER A 7 -18.830 -3.505 2.845 1.00 0.00 N ATOM 86 CA SER A 7 -18.024 -4.654 2.342 1.00 0.00 C ATOM 87 C SER A 7 -16.781 -4.121 1.624 1.00 0.00 C ATOM 88 O SER A 7 -16.729 -4.074 0.409 1.00 0.00 O ATOM 89 CB SER A 7 -18.942 -5.398 1.366 1.00 0.00 C ATOM 90 OG SER A 7 -20.127 -5.807 2.040 1.00 0.00 O ATOM 0 H SER A 7 -18.809 -2.675 2.253 1.00 0.00 H new ATOM 0 HA SER A 7 -17.683 -5.312 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.195 -4.752 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.426 -6.267 0.957 1.00 0.00 H new ATOM 0 HG SER A 7 -20.713 -6.281 1.413 1.00 0.00 H new ATOM 96 N THR A 8 -15.790 -3.703 2.383 1.00 0.00 N ATOM 97 CA THR A 8 -14.523 -3.148 1.794 1.00 0.00 C ATOM 98 C THR A 8 -14.818 -2.261 0.573 1.00 0.00 C ATOM 99 O THR A 8 -14.237 -2.427 -0.484 1.00 0.00 O ATOM 100 CB THR A 8 -13.669 -4.368 1.404 1.00 0.00 C ATOM 101 OG1 THR A 8 -14.436 -5.280 0.629 1.00 0.00 O ATOM 102 CG2 THR A 8 -13.171 -5.070 2.668 1.00 0.00 C ATOM 0 H THR A 8 -15.806 -3.724 3.403 1.00 0.00 H new ATOM 0 HA THR A 8 -14.001 -2.511 2.508 1.00 0.00 H new ATOM 0 HB THR A 8 -12.819 -4.027 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.904 -4.793 -0.081 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.567 -5.934 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.567 -4.378 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.024 -5.400 3.261 1.00 0.00 H new ATOM 110 N GLY A 9 -15.717 -1.317 0.715 1.00 0.00 N ATOM 111 CA GLY A 9 -16.048 -0.414 -0.426 1.00 0.00 C ATOM 112 C GLY A 9 -15.115 0.793 -0.380 1.00 0.00 C ATOM 113 O GLY A 9 -14.172 0.887 -1.143 1.00 0.00 O ATOM 0 H GLY A 9 -16.235 -1.135 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.935 -0.943 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.087 -0.091 -0.363 1.00 0.00 H new ATOM 117 N LEU A 10 -15.359 1.707 0.524 1.00 0.00 N ATOM 118 CA LEU A 10 -14.473 2.907 0.644 1.00 0.00 C ATOM 119 C LEU A 10 -13.338 2.626 1.642 1.00 0.00 C ATOM 120 O LEU A 10 -12.277 3.217 1.565 1.00 0.00 O ATOM 121 CB LEU A 10 -15.378 4.048 1.135 1.00 0.00 C ATOM 122 CG LEU A 10 -15.880 3.765 2.558 1.00 0.00 C ATOM 123 CD1 LEU A 10 -15.199 4.718 3.542 1.00 0.00 C ATOM 124 CD2 LEU A 10 -17.395 3.978 2.615 1.00 0.00 C ATOM 0 H LEU A 10 -16.134 1.675 1.186 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.001 3.165 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.828 4.989 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.226 4.163 0.460 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.643 2.735 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.557 4.515 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.120 4.571 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.435 5.748 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -17.753 3.777 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.628 5.008 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -17.884 3.300 1.915 1.00 0.00 H new ATOM 136 N LEU A 11 -13.551 1.718 2.571 1.00 0.00 N ATOM 137 CA LEU A 11 -12.484 1.389 3.566 1.00 0.00 C ATOM 138 C LEU A 11 -11.314 0.693 2.862 1.00 0.00 C ATOM 139 O LEU A 11 -10.163 0.986 3.123 1.00 0.00 O ATOM 140 CB LEU A 11 -13.146 0.442 4.575 1.00 0.00 C ATOM 141 CG LEU A 11 -12.915 0.965 5.997 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.915 2.083 6.300 1.00 0.00 C ATOM 143 CD2 LEU A 11 -13.112 -0.178 6.997 1.00 0.00 C ATOM 0 H LEU A 11 -14.419 1.193 2.680 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.085 2.279 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.215 0.368 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.732 -0.561 4.474 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.900 1.353 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.750 2.454 7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.778 2.897 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.930 1.695 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.948 0.192 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.127 -0.565 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.401 -0.976 6.783 1.00 0.00 H new ATOM 155 N HIS A 12 -11.604 -0.217 1.960 1.00 0.00 N ATOM 156 CA HIS A 12 -10.511 -0.924 1.224 1.00 0.00 C ATOM 157 C HIS A 12 -9.713 0.080 0.383 1.00 0.00 C ATOM 158 O HIS A 12 -8.507 -0.022 0.271 1.00 0.00 O ATOM 159 CB HIS A 12 -11.219 -1.941 0.323 1.00 0.00 C ATOM 160 CG HIS A 12 -10.293 -3.093 0.028 1.00 0.00 C ATOM 161 ND1 HIS A 12 -10.418 -3.866 -1.116 1.00 0.00 N ATOM 162 CD2 HIS A 12 -9.224 -3.616 0.717 1.00 0.00 C ATOM 163 CE1 HIS A 12 -9.452 -4.802 -1.081 1.00 0.00 C ATOM 164 NE2 HIS A 12 -8.695 -4.694 0.014 1.00 0.00 N ATOM 0 H HIS A 12 -12.550 -0.499 1.704 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.806 -1.410 1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.123 -2.305 0.811 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.528 -1.464 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.851 -3.246 1.661 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.306 -5.550 -1.846 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.900 -5.276 0.278 1.00 0.00 H new ATOM 172 N LEU A 13 -10.379 1.057 -0.195 1.00 0.00 N ATOM 173 CA LEU A 13 -9.658 2.081 -1.016 1.00 0.00 C ATOM 174 C LEU A 13 -8.580 2.766 -0.166 1.00 0.00 C ATOM 175 O LEU A 13 -7.473 2.983 -0.618 1.00 0.00 O ATOM 176 CB LEU A 13 -10.732 3.089 -1.444 1.00 0.00 C ATOM 177 CG LEU A 13 -10.195 3.963 -2.582 1.00 0.00 C ATOM 178 CD1 LEU A 13 -11.266 4.113 -3.664 1.00 0.00 C ATOM 179 CD2 LEU A 13 -9.828 5.346 -2.036 1.00 0.00 C ATOM 0 H LEU A 13 -11.389 1.187 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.156 1.641 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.630 2.563 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.017 3.713 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.310 3.493 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.882 4.735 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.528 3.130 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.153 4.581 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.446 5.967 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.714 5.814 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.063 5.242 -1.267 1.00 0.00 H new ATOM 191 N HIS A 14 -8.896 3.090 1.068 1.00 0.00 N ATOM 192 CA HIS A 14 -7.889 3.742 1.963 1.00 0.00 C ATOM 193 C HIS A 14 -6.746 2.758 2.249 1.00 0.00 C ATOM 194 O HIS A 14 -5.589 3.062 2.034 1.00 0.00 O ATOM 195 CB HIS A 14 -8.654 4.087 3.252 1.00 0.00 C ATOM 196 CG HIS A 14 -7.684 4.329 4.382 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.863 3.780 5.644 1.00 0.00 N ATOM 198 CD2 HIS A 14 -6.515 5.048 4.452 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.828 4.173 6.409 1.00 0.00 C ATOM 200 NE2 HIS A 14 -5.978 4.948 5.731 1.00 0.00 N ATOM 0 H HIS A 14 -9.810 2.930 1.492 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.445 4.632 1.518 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.268 4.974 3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.331 3.273 3.511 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.638 3.186 5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.079 5.606 3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.700 3.895 7.445 1.00 0.00 H new ATOM 208 N GLN A 15 -7.070 1.578 2.722 1.00 0.00 N ATOM 209 CA GLN A 15 -6.011 0.563 3.016 1.00 0.00 C ATOM 210 C GLN A 15 -5.208 0.252 1.747 1.00 0.00 C ATOM 211 O GLN A 15 -4.008 0.076 1.794 1.00 0.00 O ATOM 212 CB GLN A 15 -6.773 -0.680 3.489 1.00 0.00 C ATOM 213 CG GLN A 15 -5.922 -1.453 4.501 1.00 0.00 C ATOM 214 CD GLN A 15 -5.728 -0.607 5.762 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.655 -0.410 6.524 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.554 -0.095 6.017 1.00 0.00 N ATOM 0 H GLN A 15 -8.024 1.274 2.917 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.299 0.913 3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.719 -0.387 3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.012 -1.318 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.407 -2.396 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.954 -1.700 4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.776 -0.260 5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.415 0.470 6.855 1.00 0.00 H new ATOM 225 N ASN A 16 -5.867 0.193 0.616 1.00 0.00 N ATOM 226 CA ASN A 16 -5.156 -0.100 -0.667 1.00 0.00 C ATOM 227 C ASN A 16 -4.080 0.961 -0.943 1.00 0.00 C ATOM 228 O ASN A 16 -2.982 0.645 -1.360 1.00 0.00 O ATOM 229 CB ASN A 16 -6.250 -0.053 -1.738 1.00 0.00 C ATOM 230 CG ASN A 16 -5.671 -0.470 -3.088 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.549 -1.643 -3.372 1.00 0.00 O ATOM 232 ND2 ASN A 16 -5.308 0.449 -3.941 1.00 0.00 N ATOM 0 H ASN A 16 -6.873 0.336 0.526 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.643 -1.062 -0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.070 -0.717 -1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.663 0.953 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.922 0.181 -4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.411 1.435 -3.702 1.00 0.00 H new ATOM 239 N ILE A 17 -4.384 2.214 -0.709 1.00 0.00 N ATOM 240 CA ILE A 17 -3.377 3.295 -0.954 1.00 0.00 C ATOM 241 C ILE A 17 -2.377 3.364 0.211 1.00 0.00 C ATOM 242 O ILE A 17 -1.225 3.711 0.029 1.00 0.00 O ATOM 243 CB ILE A 17 -4.194 4.591 -1.057 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.005 4.579 -2.359 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.255 5.802 -1.060 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.209 5.514 -2.226 1.00 0.00 C ATOM 0 H ILE A 17 -5.286 2.536 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.792 3.119 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.866 4.658 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.378 4.895 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.342 3.566 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.842 6.717 -1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.676 5.815 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.578 5.736 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.783 5.503 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.841 5.178 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.862 6.528 -2.026 1.00 0.00 H new ATOM 258 N VAL A 18 -2.805 3.028 1.403 1.00 0.00 N ATOM 259 CA VAL A 18 -1.876 3.067 2.575 1.00 0.00 C ATOM 260 C VAL A 18 -0.961 1.833 2.568 1.00 0.00 C ATOM 261 O VAL A 18 0.145 1.872 3.073 1.00 0.00 O ATOM 262 CB VAL A 18 -2.792 3.081 3.807 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.992 2.749 5.070 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.404 4.474 3.958 1.00 0.00 C ATOM 0 H VAL A 18 -3.757 2.729 1.615 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.217 3.935 2.560 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.575 2.334 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.655 2.763 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.548 1.759 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.203 3.489 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.056 4.492 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.609 5.209 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.984 4.715 3.067 1.00 0.00 H new ATOM 274 N ASP A 19 -1.409 0.747 1.990 1.00 0.00 N ATOM 275 CA ASP A 19 -0.564 -0.484 1.941 1.00 0.00 C ATOM 276 C ASP A 19 0.282 -0.520 0.656 1.00 0.00 C ATOM 277 O ASP A 19 0.799 -1.554 0.278 1.00 0.00 O ATOM 278 CB ASP A 19 -1.553 -1.654 1.977 1.00 0.00 C ATOM 279 CG ASP A 19 -1.879 -1.998 3.434 1.00 0.00 C ATOM 280 OD1 ASP A 19 -2.650 -1.268 4.038 1.00 0.00 O ATOM 281 OD2 ASP A 19 -1.349 -2.983 3.922 1.00 0.00 O ATOM 0 H ASP A 19 -2.325 0.660 1.549 1.00 0.00 H new ATOM 0 HA ASP A 19 0.141 -0.524 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.465 -1.391 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.126 -2.521 1.473 1.00 0.00 H new ATOM 286 N VAL A 20 0.441 0.599 -0.013 1.00 0.00 N ATOM 287 CA VAL A 20 1.267 0.617 -1.258 1.00 0.00 C ATOM 288 C VAL A 20 2.480 1.549 -1.085 1.00 0.00 C ATOM 289 O VAL A 20 3.533 1.317 -1.648 1.00 0.00 O ATOM 290 CB VAL A 20 0.323 1.113 -2.367 1.00 0.00 C ATOM 291 CG1 VAL A 20 0.324 2.644 -2.428 1.00 0.00 C ATOM 292 CG2 VAL A 20 0.787 0.551 -3.714 1.00 0.00 C ATOM 0 H VAL A 20 0.035 1.497 0.251 1.00 0.00 H new ATOM 0 HA VAL A 20 1.673 -0.365 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.689 0.771 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.349 2.977 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.011 3.046 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.333 2.999 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.121 0.900 -4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.802 0.891 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.769 -0.538 -3.679 1.00 0.00 H new ATOM 302 N GLN A 21 2.338 2.595 -0.307 1.00 0.00 N ATOM 303 CA GLN A 21 3.476 3.543 -0.090 1.00 0.00 C ATOM 304 C GLN A 21 4.320 3.101 1.111 1.00 0.00 C ATOM 305 O GLN A 21 5.515 3.328 1.148 1.00 0.00 O ATOM 306 CB GLN A 21 2.827 4.904 0.186 1.00 0.00 C ATOM 307 CG GLN A 21 2.196 5.451 -1.100 1.00 0.00 C ATOM 308 CD GLN A 21 3.293 5.770 -2.121 1.00 0.00 C ATOM 309 OE1 GLN A 21 3.378 5.134 -3.154 1.00 0.00 O ATOM 310 NE2 GLN A 21 4.138 6.734 -1.878 1.00 0.00 N ATOM 0 H GLN A 21 1.479 2.834 0.189 1.00 0.00 H new ATOM 0 HA GLN A 21 4.142 3.579 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.067 4.804 0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.574 5.604 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.502 4.720 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.619 6.349 -0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.067 7.268 -1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.869 6.954 -2.554 1.00 0.00 H new ATOM 319 N TYR A 22 3.713 2.468 2.091 1.00 0.00 N ATOM 320 CA TYR A 22 4.492 2.009 3.285 1.00 0.00 C ATOM 321 C TYR A 22 5.579 1.004 2.857 1.00 0.00 C ATOM 322 O TYR A 22 6.616 0.901 3.480 1.00 0.00 O ATOM 323 CB TYR A 22 3.455 1.368 4.230 1.00 0.00 C ATOM 324 CG TYR A 22 3.352 -0.125 3.995 1.00 0.00 C ATOM 325 CD1 TYR A 22 2.503 -0.620 3.001 1.00 0.00 C ATOM 326 CD2 TYR A 22 4.104 -1.009 4.777 1.00 0.00 C ATOM 327 CE1 TYR A 22 2.404 -2.000 2.787 1.00 0.00 C ATOM 328 CE2 TYR A 22 4.006 -2.389 4.562 1.00 0.00 C ATOM 329 CZ TYR A 22 3.156 -2.885 3.568 1.00 0.00 C ATOM 330 OH TYR A 22 3.058 -4.245 3.358 1.00 0.00 O ATOM 0 H TYR A 22 2.717 2.251 2.114 1.00 0.00 H new ATOM 0 HA TYR A 22 5.015 2.826 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.736 1.558 5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.481 1.832 4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.923 0.063 2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.759 -0.627 5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.747 -2.382 2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.587 -3.071 5.164 1.00 0.00 H new ATOM 0 HH TYR A 22 3.647 -4.716 3.984 1.00 0.00 H new ATOM 340 N MET A 23 5.349 0.277 1.787 1.00 0.00 N ATOM 341 CA MET A 23 6.367 -0.706 1.304 1.00 0.00 C ATOM 342 C MET A 23 7.521 0.025 0.598 1.00 0.00 C ATOM 343 O MET A 23 8.630 -0.470 0.534 1.00 0.00 O ATOM 344 CB MET A 23 5.613 -1.601 0.316 1.00 0.00 C ATOM 345 CG MET A 23 6.312 -2.958 0.209 1.00 0.00 C ATOM 346 SD MET A 23 5.797 -3.781 -1.318 1.00 0.00 S ATOM 347 CE MET A 23 7.134 -5.000 -1.386 1.00 0.00 C ATOM 0 H MET A 23 4.497 0.324 1.228 1.00 0.00 H new ATOM 0 HA MET A 23 6.808 -1.279 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 23 4.583 -1.737 0.647 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.573 -1.124 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.394 -2.824 0.216 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.062 -3.577 1.071 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.010 -5.627 -2.269 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.093 -4.485 -1.438 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.105 -5.623 -0.492 1.00 0.00 H new ATOM 357 N TYR A 24 7.263 1.200 0.073 1.00 0.00 N ATOM 358 CA TYR A 24 8.337 1.972 -0.626 1.00 0.00 C ATOM 359 C TYR A 24 8.734 3.207 0.200 1.00 0.00 C ATOM 360 O TYR A 24 9.113 4.230 -0.341 1.00 0.00 O ATOM 361 CB TYR A 24 7.710 2.391 -1.960 1.00 0.00 C ATOM 362 CG TYR A 24 7.822 1.257 -2.952 1.00 0.00 C ATOM 363 CD1 TYR A 24 8.953 1.152 -3.772 1.00 0.00 C ATOM 364 CD2 TYR A 24 6.795 0.309 -3.050 1.00 0.00 C ATOM 365 CE1 TYR A 24 9.056 0.099 -4.690 1.00 0.00 C ATOM 366 CE2 TYR A 24 6.899 -0.743 -3.967 1.00 0.00 C ATOM 367 CZ TYR A 24 8.029 -0.848 -4.787 1.00 0.00 C ATOM 368 OH TYR A 24 8.132 -1.885 -5.690 1.00 0.00 O ATOM 0 H TYR A 24 6.352 1.658 0.099 1.00 0.00 H new ATOM 0 HA TYR A 24 9.245 1.386 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.663 2.657 -1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.213 3.277 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.745 1.882 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.923 0.390 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.927 0.018 -5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.108 -1.474 -4.042 1.00 0.00 H new ATOM 0 HH TYR A 24 7.335 -2.452 -5.629 1.00 0.00 H new ATOM 378 N GLY A 25 8.648 3.117 1.505 1.00 0.00 N ATOM 379 CA GLY A 25 9.017 4.279 2.369 1.00 0.00 C ATOM 380 C GLY A 25 8.725 3.941 3.833 1.00 0.00 C ATOM 381 O GLY A 25 7.816 4.484 4.433 1.00 0.00 O ATOM 0 H GLY A 25 8.337 2.286 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.073 4.518 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.453 5.162 2.069 1.00 0.00 H new ATOM 385 N LEU A 26 9.487 3.044 4.409 1.00 0.00 N ATOM 386 CA LEU A 26 9.255 2.662 5.839 1.00 0.00 C ATOM 387 C LEU A 26 10.320 3.279 6.762 1.00 0.00 C ATOM 388 O LEU A 26 10.423 2.919 7.921 1.00 0.00 O ATOM 389 CB LEU A 26 9.331 1.129 5.862 1.00 0.00 C ATOM 390 CG LEU A 26 10.751 0.658 5.525 1.00 0.00 C ATOM 391 CD1 LEU A 26 11.253 -0.282 6.623 1.00 0.00 C ATOM 392 CD2 LEU A 26 10.738 -0.086 4.187 1.00 0.00 C ATOM 0 H LEU A 26 10.260 2.559 3.952 1.00 0.00 H new ATOM 0 HA LEU A 26 8.295 3.029 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.042 0.759 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.623 0.713 5.145 1.00 0.00 H new ATOM 0 HG LEU A 26 11.412 1.522 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.262 -0.616 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.263 0.245 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.592 -1.146 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.747 -0.421 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.076 -0.949 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.381 0.582 3.403 1.00 0.00 H new ATOM 404 N SER A 27 11.101 4.208 6.266 1.00 0.00 N ATOM 405 CA SER A 27 12.148 4.856 7.121 1.00 0.00 C ATOM 406 C SER A 27 11.510 5.484 8.371 1.00 0.00 C ATOM 407 O SER A 27 11.942 5.212 9.474 1.00 0.00 O ATOM 408 CB SER A 27 12.792 5.931 6.243 1.00 0.00 C ATOM 409 OG SER A 27 14.040 5.453 5.761 1.00 0.00 O ATOM 0 H SER A 27 11.059 4.547 5.305 1.00 0.00 H new ATOM 0 HA SER A 27 12.885 4.134 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.136 6.177 5.408 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.936 6.847 6.816 1.00 0.00 H new ATOM 0 HG SER A 27 14.456 6.137 5.196 1.00 0.00 H new ATOM 415 N PRO A 28 10.489 6.295 8.172 1.00 0.00 N ATOM 416 CA PRO A 28 9.801 6.935 9.324 1.00 0.00 C ATOM 417 C PRO A 28 9.004 5.887 10.111 1.00 0.00 C ATOM 418 O PRO A 28 8.810 6.013 11.305 1.00 0.00 O ATOM 419 CB PRO A 28 8.878 7.962 8.673 1.00 0.00 C ATOM 420 CG PRO A 28 8.646 7.450 7.288 1.00 0.00 C ATOM 421 CD PRO A 28 9.884 6.691 6.888 1.00 0.00 C ATOM 0 HA PRO A 28 10.487 7.392 10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.941 8.054 9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.337 8.951 8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.770 6.803 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.458 8.273 6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.640 5.822 6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.561 7.312 6.302 1.00 0.00 H new ATOM 429 N ALA A 29 8.556 4.850 9.449 1.00 0.00 N ATOM 430 CA ALA A 29 7.784 3.779 10.147 1.00 0.00 C ATOM 431 C ALA A 29 8.700 3.009 11.107 1.00 0.00 C ATOM 432 O ALA A 29 8.298 2.645 12.195 1.00 0.00 O ATOM 433 CB ALA A 29 7.276 2.857 9.034 1.00 0.00 C ATOM 0 H ALA A 29 8.693 4.699 8.450 1.00 0.00 H new ATOM 0 HA ALA A 29 6.965 4.184 10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.698 2.043 9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.644 3.425 8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.124 2.446 8.486 1.00 0.00 H new ATOM 439 N ILE A 30 9.929 2.765 10.714 1.00 0.00 N ATOM 440 CA ILE A 30 10.873 2.025 11.609 1.00 0.00 C ATOM 441 C ILE A 30 11.566 2.992 12.582 1.00 0.00 C ATOM 442 O ILE A 30 11.928 2.619 13.682 1.00 0.00 O ATOM 443 CB ILE A 30 11.886 1.345 10.668 1.00 0.00 C ATOM 444 CG1 ILE A 30 12.715 0.326 11.459 1.00 0.00 C ATOM 445 CG2 ILE A 30 12.827 2.383 10.046 1.00 0.00 C ATOM 446 CD1 ILE A 30 11.899 -0.952 11.664 1.00 0.00 C ATOM 0 H ILE A 30 10.317 3.046 9.814 1.00 0.00 H new ATOM 0 HA ILE A 30 10.359 1.290 12.229 1.00 0.00 H new ATOM 0 HB ILE A 30 11.337 0.843 9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.637 0.099 10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.001 0.745 12.424 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.535 1.883 9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.245 3.106 9.474 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.372 2.900 10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.490 -1.675 12.226 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.989 -0.718 12.217 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.635 -1.375 10.695 1.00 0.00 H new ATOM 458 N THR A 31 11.744 4.229 12.188 1.00 0.00 N ATOM 459 CA THR A 31 12.407 5.221 13.095 1.00 0.00 C ATOM 460 C THR A 31 11.436 5.656 14.202 1.00 0.00 C ATOM 461 O THR A 31 11.830 5.853 15.336 1.00 0.00 O ATOM 462 CB THR A 31 12.781 6.409 12.197 1.00 0.00 C ATOM 463 OG1 THR A 31 13.716 5.982 11.215 1.00 0.00 O ATOM 464 CG2 THR A 31 13.409 7.521 13.042 1.00 0.00 C ATOM 0 H THR A 31 11.460 4.596 11.280 1.00 0.00 H new ATOM 0 HA THR A 31 13.284 4.804 13.590 1.00 0.00 H new ATOM 0 HB THR A 31 11.882 6.788 11.711 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.235 5.636 10.434 1.00 0.00 H new ATOM 0 HG21 THR A 31 13.672 8.361 12.400 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.696 7.851 13.797 1.00 0.00 H new ATOM 0 HG23 THR A 31 14.307 7.143 13.531 1.00 0.00 H new ATOM 472 N LYS A 32 10.169 5.794 13.885 1.00 0.00 N ATOM 473 CA LYS A 32 9.173 6.205 14.925 1.00 0.00 C ATOM 474 C LYS A 32 8.585 4.970 15.628 1.00 0.00 C ATOM 475 O LYS A 32 7.511 5.028 16.198 1.00 0.00 O ATOM 476 CB LYS A 32 8.078 6.959 14.161 1.00 0.00 C ATOM 477 CG LYS A 32 8.626 8.294 13.650 1.00 0.00 C ATOM 478 CD LYS A 32 7.489 9.316 13.556 1.00 0.00 C ATOM 479 CE LYS A 32 6.708 9.101 12.253 1.00 0.00 C ATOM 480 NZ LYS A 32 5.499 9.965 12.376 1.00 0.00 N ATOM 0 H LYS A 32 9.783 5.640 12.953 1.00 0.00 H new ATOM 0 HA LYS A 32 9.627 6.822 15.700 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.725 6.356 13.324 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.221 7.133 14.812 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.403 8.660 14.321 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.088 8.158 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.822 9.213 14.412 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.893 10.328 13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.305 9.380 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.433 8.054 12.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.916 9.870 11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.946 9.672 13.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.791 10.957 12.487 1.00 0.00 H new ATOM 494 N TYR A 33 9.280 3.857 15.596 1.00 0.00 N ATOM 495 CA TYR A 33 8.768 2.623 16.264 1.00 0.00 C ATOM 496 C TYR A 33 9.658 2.271 17.460 1.00 0.00 C ATOM 497 O TYR A 33 9.178 2.016 18.547 1.00 0.00 O ATOM 498 CB TYR A 33 8.844 1.532 15.193 1.00 0.00 C ATOM 499 CG TYR A 33 7.762 0.509 15.436 1.00 0.00 C ATOM 500 CD1 TYR A 33 6.482 0.706 14.904 1.00 0.00 C ATOM 501 CD2 TYR A 33 8.037 -0.634 16.196 1.00 0.00 C ATOM 502 CE1 TYR A 33 5.478 -0.242 15.130 1.00 0.00 C ATOM 503 CE2 TYR A 33 7.033 -1.580 16.423 1.00 0.00 C ATOM 504 CZ TYR A 33 5.753 -1.385 15.890 1.00 0.00 C ATOM 505 OH TYR A 33 4.763 -2.318 16.114 1.00 0.00 O ATOM 0 H TYR A 33 10.183 3.753 15.133 1.00 0.00 H new ATOM 0 HA TYR A 33 7.754 2.744 16.645 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.727 1.972 14.202 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.823 1.053 15.216 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.270 1.589 14.320 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.024 -0.785 16.607 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.491 -0.092 14.718 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.245 -2.462 17.010 1.00 0.00 H new ATOM 0 HH TYR A 33 5.121 -3.050 16.659 1.00 0.00 H new ATOM 515 N VAL A 34 10.954 2.262 17.263 1.00 0.00 N ATOM 516 CA VAL A 34 11.885 1.934 18.384 1.00 0.00 C ATOM 517 C VAL A 34 12.154 3.192 19.219 1.00 0.00 C ATOM 518 O VAL A 34 12.009 3.182 20.426 1.00 0.00 O ATOM 519 CB VAL A 34 13.174 1.441 17.710 1.00 0.00 C ATOM 520 CG1 VAL A 34 14.223 1.117 18.778 1.00 0.00 C ATOM 521 CG2 VAL A 34 12.876 0.177 16.897 1.00 0.00 C ATOM 0 H VAL A 34 11.406 2.468 16.372 1.00 0.00 H new ATOM 0 HA VAL A 34 11.476 1.182 19.059 1.00 0.00 H new ATOM 0 HB VAL A 34 13.554 2.221 17.050 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.136 0.767 18.297 1.00 0.00 H new ATOM 0 HG12 VAL A 34 14.439 2.013 19.359 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.841 0.339 19.439 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.791 -0.172 16.419 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.493 -0.600 17.559 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.131 0.402 16.134 1.00 0.00 H new ATOM 531 N VAL A 35 12.544 4.275 18.578 1.00 0.00 N ATOM 532 CA VAL A 35 12.829 5.552 19.314 1.00 0.00 C ATOM 533 C VAL A 35 13.825 5.301 20.463 1.00 0.00 C ATOM 534 O VAL A 35 13.647 5.795 21.560 1.00 0.00 O ATOM 535 CB VAL A 35 11.468 6.030 19.853 1.00 0.00 C ATOM 536 CG1 VAL A 35 11.608 7.444 20.425 1.00 0.00 C ATOM 537 CG2 VAL A 35 10.436 6.051 18.719 1.00 0.00 C ATOM 0 H VAL A 35 12.677 4.327 17.568 1.00 0.00 H new ATOM 0 HA VAL A 35 13.285 6.302 18.668 1.00 0.00 H new ATOM 0 HB VAL A 35 11.138 5.346 20.635 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.643 7.780 20.806 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.336 7.438 21.236 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.944 8.122 19.641 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.476 6.390 19.107 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.771 6.730 17.935 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.327 5.048 18.307 1.00 0.00 H new ATOM 547 N ARG A 36 14.867 4.532 20.195 1.00 0.00 N ATOM 548 CA ARG A 36 15.918 4.207 21.230 1.00 0.00 C ATOM 549 C ARG A 36 15.324 4.084 22.652 1.00 0.00 C ATOM 550 O ARG A 36 14.315 3.412 22.793 1.00 0.00 O ATOM 551 CB ARG A 36 16.959 5.343 21.131 1.00 0.00 C ATOM 552 CG ARG A 36 16.350 6.687 21.551 1.00 0.00 C ATOM 553 CD ARG A 36 17.339 7.446 22.441 1.00 0.00 C ATOM 554 NE ARG A 36 16.489 8.249 23.368 1.00 0.00 N ATOM 555 CZ ARG A 36 15.900 7.673 24.384 1.00 0.00 C ATOM 556 NH1 ARG A 36 16.573 7.435 25.479 1.00 0.00 N ATOM 557 NH2 ARG A 36 14.639 7.337 24.302 1.00 0.00 N ATOM 558 OXT ARG A 36 15.897 4.641 23.578 1.00 0.00 O ATOM 0 H ARG A 36 15.036 4.108 19.283 1.00 0.00 H new ATOM 0 HA ARG A 36 16.371 3.234 21.040 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.814 5.113 21.766 1.00 0.00 H new ATOM 0 HB3 ARG A 36 17.331 5.412 20.109 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.111 7.280 20.669 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.416 6.522 22.087 1.00 0.00 H new ATOM 0 HD2 ARG A 36 17.982 6.759 22.991 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.991 8.088 21.848 1.00 0.00 H new ATOM 0 HE ARG A 36 16.367 9.249 23.209 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.556 7.698 25.541 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.115 6.986 26.272 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.116 7.524 23.447 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.178 6.888 25.093 1.00 0.00 H new TER 572 ARG A 36