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+ 156:sc= 0.187 (180deg=0.0194) USER MOD Single : A 1 SER OG : rot 180:sc= 0.107 USER MOD Single : A 7 SER OG : rot -47:sc= 0.0558 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 12 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-2!) USER MOD Single : A 14 HIS : no HD1:sc= -2 K(o=-2,f=-2.7!) USER MOD Single : A 15 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.25) USER MOD Single : A 16 ASN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) 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 96:sc= 1.34 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.16) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.423 -9.237 -11.843 1.00 0.00 N ATOM 2 CA SER A 1 -19.676 -8.443 -11.640 1.00 0.00 C ATOM 3 C SER A 1 -20.582 -9.144 -10.621 1.00 0.00 C ATOM 4 O SER A 1 -21.706 -9.506 -10.919 1.00 0.00 O ATOM 5 CB SER A 1 -20.347 -8.392 -13.016 1.00 0.00 C ATOM 6 OG SER A 1 -19.395 -7.982 -13.989 1.00 0.00 O ATOM 0 H1 SER A 1 -18.018 -9.014 -12.775 1.00 0.00 H new ATOM 0 H2 SER A 1 -17.736 -8.997 -11.100 1.00 0.00 H new ATOM 0 H3 SER A 1 -18.644 -10.252 -11.795 1.00 0.00 H new ATOM 0 HA SER A 1 -19.475 -7.444 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 1 -20.748 -9.372 -13.274 1.00 0.00 H new ATOM 0 HB3 SER A 1 -21.187 -7.698 -12.998 1.00 0.00 H new ATOM 0 HG SER A 1 -19.821 -7.950 -14.871 1.00 0.00 H new ATOM 11 N ASP A 2 -20.095 -9.347 -9.422 1.00 0.00 N ATOM 12 CA ASP A 2 -20.918 -10.038 -8.382 1.00 0.00 C ATOM 13 C ASP A 2 -20.870 -9.266 -7.054 1.00 0.00 C ATOM 14 O ASP A 2 -20.798 -9.852 -5.989 1.00 0.00 O ATOM 15 CB ASP A 2 -20.276 -11.420 -8.232 1.00 0.00 C ATOM 16 CG ASP A 2 -20.337 -12.167 -9.569 1.00 0.00 C ATOM 17 OD1 ASP A 2 -21.334 -12.825 -9.813 1.00 0.00 O ATOM 18 OD2 ASP A 2 -19.384 -12.066 -10.328 1.00 0.00 O ATOM 0 H ASP A 2 -19.163 -9.064 -9.118 1.00 0.00 H new ATOM 0 HA ASP A 2 -21.969 -10.103 -8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -19.240 -11.317 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.795 -11.991 -7.462 1.00 0.00 H new ATOM 23 N LEU A 3 -20.915 -7.955 -7.117 1.00 0.00 N ATOM 24 CA LEU A 3 -20.876 -7.116 -5.871 1.00 0.00 C ATOM 25 C LEU A 3 -19.707 -7.538 -4.959 1.00 0.00 C ATOM 26 O LEU A 3 -19.914 -7.943 -3.830 1.00 0.00 O ATOM 27 CB LEU A 3 -22.225 -7.369 -5.187 1.00 0.00 C ATOM 28 CG LEU A 3 -22.779 -6.065 -4.594 1.00 0.00 C ATOM 29 CD1 LEU A 3 -21.808 -5.512 -3.547 1.00 0.00 C ATOM 30 CD2 LEU A 3 -22.972 -5.030 -5.708 1.00 0.00 C ATOM 0 H LEU A 3 -20.978 -7.424 -7.986 1.00 0.00 H new ATOM 0 HA LEU A 3 -20.720 -6.060 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -22.934 -7.778 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -22.106 -8.113 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 3 -23.739 -6.272 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -22.209 -4.587 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -21.679 -6.243 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -20.844 -5.312 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -23.365 -4.107 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -22.014 -4.829 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -23.674 -5.417 -6.447 1.00 0.00 H new ATOM 42 N PRO A 4 -18.508 -7.422 -5.482 1.00 0.00 N ATOM 43 CA PRO A 4 -17.296 -7.792 -4.711 1.00 0.00 C ATOM 44 C PRO A 4 -16.823 -6.624 -3.825 1.00 0.00 C ATOM 45 O PRO A 4 -15.637 -6.402 -3.662 1.00 0.00 O ATOM 46 CB PRO A 4 -16.274 -8.094 -5.804 1.00 0.00 C ATOM 47 CG PRO A 4 -16.719 -7.314 -7.008 1.00 0.00 C ATOM 48 CD PRO A 4 -18.174 -6.947 -6.826 1.00 0.00 C ATOM 0 HA PRO A 4 -17.460 -8.627 -4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.272 -7.798 -5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.238 -9.162 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.113 -6.416 -7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.587 -7.906 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -18.326 -5.871 -6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -18.800 -7.422 -7.581 1.00 0.00 H new ATOM 56 N ALA A 5 -17.740 -5.881 -3.252 1.00 0.00 N ATOM 57 CA ALA A 5 -17.347 -4.732 -2.378 1.00 0.00 C ATOM 58 C ALA A 5 -18.524 -4.307 -1.488 1.00 0.00 C ATOM 59 O ALA A 5 -18.732 -3.132 -1.240 1.00 0.00 O ATOM 60 CB ALA A 5 -16.976 -3.610 -3.349 1.00 0.00 C ATOM 0 H ALA A 5 -18.745 -6.022 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 5 -16.524 -4.985 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.675 -2.727 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.151 -3.935 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -17.838 -3.367 -3.971 1.00 0.00 H new ATOM 66 N LEU A 6 -19.292 -5.253 -1.004 1.00 0.00 N ATOM 67 CA LEU A 6 -20.459 -4.906 -0.126 1.00 0.00 C ATOM 68 C LEU A 6 -19.982 -4.239 1.176 1.00 0.00 C ATOM 69 O LEU A 6 -20.670 -3.405 1.736 1.00 0.00 O ATOM 70 CB LEU A 6 -21.178 -6.237 0.162 1.00 0.00 C ATOM 71 CG LEU A 6 -20.249 -7.202 0.912 1.00 0.00 C ATOM 72 CD1 LEU A 6 -20.658 -7.270 2.386 1.00 0.00 C ATOM 73 CD2 LEU A 6 -20.357 -8.597 0.291 1.00 0.00 C ATOM 0 H LEU A 6 -19.163 -6.250 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 6 -21.127 -4.193 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.074 -6.052 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.503 -6.691 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 6 -19.222 -6.846 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.997 -7.956 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.583 -6.278 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -21.686 -7.625 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.698 -9.284 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -21.386 -8.950 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -20.064 -8.552 -0.758 1.00 0.00 H new ATOM 85 N SER A 7 -18.812 -4.591 1.656 1.00 0.00 N ATOM 86 CA SER A 7 -18.292 -3.968 2.914 1.00 0.00 C ATOM 87 C SER A 7 -16.826 -3.531 2.740 1.00 0.00 C ATOM 88 O SER A 7 -16.137 -3.253 3.704 1.00 0.00 O ATOM 89 CB SER A 7 -18.406 -5.064 3.976 1.00 0.00 C ATOM 90 OG SER A 7 -18.371 -4.475 5.270 1.00 0.00 O ATOM 0 H SER A 7 -18.195 -5.283 1.230 1.00 0.00 H new ATOM 0 HA SER A 7 -18.851 -3.073 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.334 -5.620 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.589 -5.777 3.867 1.00 0.00 H new ATOM 0 HG SER A 7 -17.634 -3.831 5.316 1.00 0.00 H new ATOM 96 N THR A 8 -16.345 -3.464 1.520 1.00 0.00 N ATOM 97 CA THR A 8 -14.929 -3.043 1.289 1.00 0.00 C ATOM 98 C THR A 8 -14.859 -2.046 0.126 1.00 0.00 C ATOM 99 O THR A 8 -14.098 -2.219 -0.809 1.00 0.00 O ATOM 100 CB THR A 8 -14.167 -4.333 0.952 1.00 0.00 C ATOM 101 OG1 THR A 8 -14.870 -5.061 -0.047 1.00 0.00 O ATOM 102 CG2 THR A 8 -14.026 -5.191 2.211 1.00 0.00 C ATOM 0 H THR A 8 -16.874 -3.683 0.676 1.00 0.00 H new ATOM 0 HA THR A 8 -14.501 -2.545 2.159 1.00 0.00 H new ATOM 0 HB THR A 8 -13.176 -4.076 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.379 -5.882 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.485 -6.106 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.477 -4.635 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.016 -5.445 2.591 1.00 0.00 H new ATOM 110 N GLY A 9 -15.644 -1.000 0.183 1.00 0.00 N ATOM 111 CA GLY A 9 -15.620 0.017 -0.907 1.00 0.00 C ATOM 112 C GLY A 9 -14.622 1.110 -0.528 1.00 0.00 C ATOM 113 O GLY A 9 -13.510 1.143 -1.018 1.00 0.00 O ATOM 0 H GLY A 9 -16.301 -0.808 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.334 -0.446 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.613 0.443 -1.049 1.00 0.00 H new ATOM 117 N LEU A 10 -15.010 1.994 0.356 1.00 0.00 N ATOM 118 CA LEU A 10 -14.084 3.085 0.793 1.00 0.00 C ATOM 119 C LEU A 10 -13.115 2.552 1.857 1.00 0.00 C ATOM 120 O LEU A 10 -11.962 2.938 1.901 1.00 0.00 O ATOM 121 CB LEU A 10 -14.986 4.173 1.383 1.00 0.00 C ATOM 122 CG LEU A 10 -15.465 5.105 0.266 1.00 0.00 C ATOM 123 CD1 LEU A 10 -16.785 5.760 0.676 1.00 0.00 C ATOM 124 CD2 LEU A 10 -14.413 6.191 0.021 1.00 0.00 C ATOM 0 H LEU A 10 -15.930 2.008 0.796 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.481 3.468 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.841 3.719 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.441 4.742 2.137 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.614 4.529 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -17.125 6.423 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.535 4.989 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -16.637 6.336 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.753 6.855 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.264 6.766 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.472 5.726 -0.273 1.00 0.00 H new ATOM 136 N LEU A 11 -13.578 1.662 2.709 1.00 0.00 N ATOM 137 CA LEU A 11 -12.690 1.087 3.769 1.00 0.00 C ATOM 138 C LEU A 11 -11.487 0.387 3.125 1.00 0.00 C ATOM 139 O LEU A 11 -10.363 0.531 3.570 1.00 0.00 O ATOM 140 CB LEU A 11 -13.564 0.075 4.520 1.00 0.00 C ATOM 141 CG LEU A 11 -12.788 -0.492 5.714 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.651 -0.405 6.975 1.00 0.00 C ATOM 143 CD2 LEU A 11 -12.431 -1.956 5.442 1.00 0.00 C ATOM 0 H LEU A 11 -14.535 1.310 2.713 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.294 1.853 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.480 0.556 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.860 -0.732 3.850 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.875 0.085 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.098 -0.809 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.906 0.637 7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.565 -0.981 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.879 -2.360 6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.345 -2.532 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.815 -2.020 4.545 1.00 0.00 H new ATOM 155 N HIS A 12 -11.717 -0.360 2.073 1.00 0.00 N ATOM 156 CA HIS A 12 -10.590 -1.063 1.385 1.00 0.00 C ATOM 157 C HIS A 12 -9.787 -0.068 0.537 1.00 0.00 C ATOM 158 O HIS A 12 -8.588 -0.201 0.394 1.00 0.00 O ATOM 159 CB HIS A 12 -11.253 -2.119 0.494 1.00 0.00 C ATOM 160 CG HIS A 12 -10.825 -3.495 0.930 1.00 0.00 C ATOM 161 ND1 HIS A 12 -10.677 -4.542 0.031 1.00 0.00 N ATOM 162 CD2 HIS A 12 -10.515 -4.016 2.163 1.00 0.00 C ATOM 163 CE1 HIS A 12 -10.296 -5.626 0.730 1.00 0.00 C ATOM 164 NE2 HIS A 12 -10.182 -5.361 2.034 1.00 0.00 N ATOM 0 H HIS A 12 -12.637 -0.513 1.661 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.894 -1.514 2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.338 -2.029 0.554 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.976 -1.955 -0.548 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.528 -3.465 3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.105 -6.594 0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.909 -6.006 2.776 1.00 0.00 H new ATOM 172 N LEU A 13 -10.438 0.929 -0.021 1.00 0.00 N ATOM 173 CA LEU A 13 -9.709 1.936 -0.860 1.00 0.00 C ATOM 174 C LEU A 13 -8.583 2.593 -0.052 1.00 0.00 C ATOM 175 O LEU A 13 -7.462 2.698 -0.512 1.00 0.00 O ATOM 176 CB LEU A 13 -10.763 2.981 -1.257 1.00 0.00 C ATOM 177 CG LEU A 13 -10.680 3.270 -2.761 1.00 0.00 C ATOM 178 CD1 LEU A 13 -9.273 3.759 -3.121 1.00 0.00 C ATOM 179 CD2 LEU A 13 -10.994 1.995 -3.550 1.00 0.00 C ATOM 0 H LEU A 13 -11.442 1.088 0.069 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.247 1.475 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.759 2.618 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.605 3.900 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.406 4.043 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.221 3.962 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.052 4.671 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.544 2.992 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.934 2.204 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.273 1.220 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.999 1.653 -3.303 1.00 0.00 H new ATOM 191 N HIS A 14 -8.872 3.031 1.152 1.00 0.00 N ATOM 192 CA HIS A 14 -7.815 3.675 1.996 1.00 0.00 C ATOM 193 C HIS A 14 -6.684 2.674 2.267 1.00 0.00 C ATOM 194 O HIS A 14 -5.526 2.960 2.029 1.00 0.00 O ATOM 195 CB HIS A 14 -8.519 4.065 3.303 1.00 0.00 C ATOM 196 CG HIS A 14 -7.503 4.555 4.301 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.003 5.848 4.276 1.00 0.00 N ATOM 198 CD2 HIS A 14 -6.882 3.933 5.356 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.122 5.962 5.288 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.012 4.824 5.979 1.00 0.00 N ATOM 0 H HIS A 14 -9.793 2.970 1.586 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.368 4.542 1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.258 4.842 3.111 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.056 3.207 3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.044 2.908 5.657 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.572 6.863 5.513 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.418 4.646 6.789 1.00 0.00 H new ATOM 208 N GLN A 15 -7.015 1.501 2.752 1.00 0.00 N ATOM 209 CA GLN A 15 -5.964 0.474 3.030 1.00 0.00 C ATOM 210 C GLN A 15 -5.212 0.123 1.741 1.00 0.00 C ATOM 211 O GLN A 15 -4.016 -0.087 1.752 1.00 0.00 O ATOM 212 CB GLN A 15 -6.725 -0.746 3.559 1.00 0.00 C ATOM 213 CG GLN A 15 -5.846 -1.509 4.555 1.00 0.00 C ATOM 214 CD GLN A 15 -5.592 -0.640 5.790 1.00 0.00 C ATOM 215 OE1 GLN A 15 -4.473 -0.248 6.050 1.00 0.00 O ATOM 216 NE2 GLN A 15 -6.590 -0.319 6.568 1.00 0.00 N ATOM 0 H GLN A 15 -7.969 1.211 2.967 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.221 0.829 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.649 -0.429 4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.006 -1.399 2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.334 -2.439 4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.899 -1.779 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.531 -0.647 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.428 0.260 7.392 1.00 0.00 H new ATOM 225 N ASN A 16 -5.909 0.065 0.632 1.00 0.00 N ATOM 226 CA ASN A 16 -5.247 -0.264 -0.668 1.00 0.00 C ATOM 227 C ASN A 16 -4.203 0.803 -1.030 1.00 0.00 C ATOM 228 O ASN A 16 -3.142 0.490 -1.531 1.00 0.00 O ATOM 229 CB ASN A 16 -6.382 -0.280 -1.697 1.00 0.00 C ATOM 230 CG ASN A 16 -5.850 -0.766 -3.047 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.865 -1.947 -3.329 1.00 0.00 O ATOM 232 ND2 ASN A 16 -5.374 0.101 -3.899 1.00 0.00 N ATOM 0 H ASN A 16 -6.913 0.232 0.572 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.717 -1.216 -0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.185 -0.933 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.805 0.719 -1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.015 -0.214 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.361 1.093 -3.663 1.00 0.00 H new ATOM 239 N ILE A 17 -4.493 2.058 -0.783 1.00 0.00 N ATOM 240 CA ILE A 17 -3.511 3.140 -1.118 1.00 0.00 C ATOM 241 C ILE A 17 -2.450 3.258 -0.012 1.00 0.00 C ATOM 242 O ILE A 17 -1.276 3.419 -0.287 1.00 0.00 O ATOM 243 CB ILE A 17 -4.343 4.428 -1.215 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.233 4.371 -2.463 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.412 5.642 -1.313 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.312 5.451 -2.374 1.00 0.00 C ATOM 0 H ILE A 17 -5.366 2.380 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.977 2.936 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.965 4.519 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.630 4.518 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.695 3.387 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.007 6.552 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.779 5.688 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.786 5.550 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.943 5.409 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.922 5.283 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.841 6.432 -2.310 1.00 0.00 H new ATOM 258 N VAL A 18 -2.855 3.180 1.231 1.00 0.00 N ATOM 259 CA VAL A 18 -1.876 3.289 2.359 1.00 0.00 C ATOM 260 C VAL A 18 -0.905 2.102 2.342 1.00 0.00 C ATOM 261 O VAL A 18 0.291 2.267 2.496 1.00 0.00 O ATOM 262 CB VAL A 18 -2.731 3.280 3.635 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.834 3.194 4.871 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.556 4.567 3.705 1.00 0.00 C ATOM 0 H VAL A 18 -3.825 3.045 1.515 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.266 4.190 2.289 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.393 2.414 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.452 3.188 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.245 2.278 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.165 4.054 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.163 4.561 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.887 5.427 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.206 4.630 2.833 1.00 0.00 H new ATOM 274 N ASP A 19 -1.417 0.913 2.152 1.00 0.00 N ATOM 275 CA ASP A 19 -0.540 -0.302 2.120 1.00 0.00 C ATOM 276 C ASP A 19 0.411 -0.278 0.911 1.00 0.00 C ATOM 277 O ASP A 19 1.383 -1.005 0.872 1.00 0.00 O ATOM 278 CB ASP A 19 -1.507 -1.486 2.016 1.00 0.00 C ATOM 279 CG ASP A 19 -0.746 -2.797 2.214 1.00 0.00 C ATOM 280 OD1 ASP A 19 -0.599 -3.206 3.354 1.00 0.00 O ATOM 281 OD2 ASP A 19 -0.324 -3.368 1.222 1.00 0.00 O ATOM 0 H ASP A 19 -2.411 0.728 2.017 1.00 0.00 H new ATOM 0 HA ASP A 19 0.095 -0.359 3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.291 -1.393 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.996 -1.483 1.042 1.00 0.00 H new ATOM 286 N VAL A 20 0.153 0.548 -0.072 1.00 0.00 N ATOM 287 CA VAL A 20 1.064 0.603 -1.255 1.00 0.00 C ATOM 288 C VAL A 20 1.964 1.840 -1.162 1.00 0.00 C ATOM 289 O VAL A 20 3.131 1.796 -1.503 1.00 0.00 O ATOM 290 CB VAL A 20 0.144 0.679 -2.479 1.00 0.00 C ATOM 291 CG1 VAL A 20 0.990 0.820 -3.747 1.00 0.00 C ATOM 292 CG2 VAL A 20 -0.689 -0.603 -2.573 1.00 0.00 C ATOM 0 H VAL A 20 -0.644 1.183 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 20 1.722 -0.264 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.516 1.541 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.335 0.874 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.588 1.729 -3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.650 -0.043 -3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.343 -0.549 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.025 -1.462 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.292 -0.712 -1.672 1.00 0.00 H new ATOM 302 N GLN A 21 1.428 2.940 -0.696 1.00 0.00 N ATOM 303 CA GLN A 21 2.243 4.189 -0.570 1.00 0.00 C ATOM 304 C GLN A 21 3.340 4.016 0.490 1.00 0.00 C ATOM 305 O GLN A 21 4.442 4.506 0.328 1.00 0.00 O ATOM 306 CB GLN A 21 1.251 5.278 -0.147 1.00 0.00 C ATOM 307 CG GLN A 21 1.707 6.633 -0.697 1.00 0.00 C ATOM 308 CD GLN A 21 0.507 7.373 -1.297 1.00 0.00 C ATOM 309 OE1 GLN A 21 0.322 7.382 -2.497 1.00 0.00 O ATOM 310 NE2 GLN A 21 -0.322 7.999 -0.507 1.00 0.00 N ATOM 0 H GLN A 21 0.457 3.028 -0.396 1.00 0.00 H new ATOM 0 HA GLN A 21 2.748 4.439 -1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.254 5.040 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.184 5.320 0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.154 7.229 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.475 6.489 -1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.169 7.993 0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.123 8.494 -0.898 1.00 0.00 H new ATOM 319 N TYR A 22 3.054 3.325 1.570 1.00 0.00 N ATOM 320 CA TYR A 22 4.093 3.127 2.633 1.00 0.00 C ATOM 321 C TYR A 22 5.276 2.314 2.078 1.00 0.00 C ATOM 322 O TYR A 22 6.416 2.540 2.443 1.00 0.00 O ATOM 323 CB TYR A 22 3.368 2.397 3.787 1.00 0.00 C ATOM 324 CG TYR A 22 3.667 0.913 3.778 1.00 0.00 C ATOM 325 CD1 TYR A 22 4.840 0.426 4.369 1.00 0.00 C ATOM 326 CD2 TYR A 22 2.767 0.026 3.183 1.00 0.00 C ATOM 327 CE1 TYR A 22 5.110 -0.948 4.362 1.00 0.00 C ATOM 328 CE2 TYR A 22 3.035 -1.348 3.176 1.00 0.00 C ATOM 329 CZ TYR A 22 4.206 -1.836 3.764 1.00 0.00 C ATOM 330 OH TYR A 22 4.471 -3.190 3.758 1.00 0.00 O ATOM 0 H TYR A 22 2.151 2.892 1.761 1.00 0.00 H new ATOM 0 HA TYR A 22 4.519 4.067 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.676 2.826 4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.293 2.553 3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.536 1.111 4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.862 0.401 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.015 -1.323 4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.337 -2.032 2.716 1.00 0.00 H new ATOM 0 HH TYR A 22 3.743 -3.664 3.305 1.00 0.00 H new ATOM 340 N MET A 23 5.014 1.381 1.190 1.00 0.00 N ATOM 341 CA MET A 23 6.123 0.565 0.604 1.00 0.00 C ATOM 342 C MET A 23 6.572 1.150 -0.747 1.00 0.00 C ATOM 343 O MET A 23 7.166 0.465 -1.559 1.00 0.00 O ATOM 344 CB MET A 23 5.528 -0.836 0.417 1.00 0.00 C ATOM 345 CG MET A 23 6.341 -1.852 1.222 1.00 0.00 C ATOM 346 SD MET A 23 7.724 -2.454 0.220 1.00 0.00 S ATOM 347 CE MET A 23 6.859 -3.842 -0.554 1.00 0.00 C ATOM 0 H MET A 23 4.081 1.151 0.848 1.00 0.00 H new ATOM 0 HA MET A 23 7.005 0.553 1.244 1.00 0.00 H new ATOM 0 HB2 MET A 23 4.488 -0.847 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.533 -1.106 -0.639 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.715 -1.391 2.136 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.706 -2.686 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.539 -4.365 -1.227 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.511 -4.530 0.217 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.005 -3.469 -1.119 1.00 0.00 H new ATOM 357 N TYR A 24 6.297 2.411 -0.993 1.00 0.00 N ATOM 358 CA TYR A 24 6.710 3.037 -2.286 1.00 0.00 C ATOM 359 C TYR A 24 7.847 4.046 -2.057 1.00 0.00 C ATOM 360 O TYR A 24 7.941 5.050 -2.739 1.00 0.00 O ATOM 361 CB TYR A 24 5.449 3.742 -2.802 1.00 0.00 C ATOM 362 CG TYR A 24 5.036 3.147 -4.129 1.00 0.00 C ATOM 363 CD1 TYR A 24 4.722 1.785 -4.220 1.00 0.00 C ATOM 364 CD2 TYR A 24 4.965 3.958 -5.268 1.00 0.00 C ATOM 365 CE1 TYR A 24 4.337 1.236 -5.449 1.00 0.00 C ATOM 366 CE2 TYR A 24 4.580 3.409 -6.497 1.00 0.00 C ATOM 367 CZ TYR A 24 4.266 2.048 -6.588 1.00 0.00 C ATOM 368 OH TYR A 24 3.886 1.507 -7.799 1.00 0.00 O ATOM 0 H TYR A 24 5.804 3.032 -0.352 1.00 0.00 H new ATOM 0 HA TYR A 24 7.087 2.304 -2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.641 3.637 -2.079 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.639 4.809 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.777 1.158 -3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.207 5.008 -5.199 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.095 0.186 -5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.525 4.036 -7.375 1.00 0.00 H new ATOM 0 HH TYR A 24 3.888 2.207 -8.485 1.00 0.00 H new ATOM 378 N GLY A 25 8.713 3.785 -1.106 1.00 0.00 N ATOM 379 CA GLY A 25 9.843 4.723 -0.835 1.00 0.00 C ATOM 380 C GLY A 25 11.170 3.979 -1.003 1.00 0.00 C ATOM 381 O GLY A 25 11.637 3.777 -2.108 1.00 0.00 O ATOM 0 H GLY A 25 8.684 2.961 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.799 5.571 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.763 5.124 0.175 1.00 0.00 H new ATOM 385 N LEU A 26 11.773 3.569 0.091 1.00 0.00 N ATOM 386 CA LEU A 26 13.079 2.828 0.028 1.00 0.00 C ATOM 387 C LEU A 26 14.088 3.560 -0.872 1.00 0.00 C ATOM 388 O LEU A 26 14.794 2.947 -1.654 1.00 0.00 O ATOM 389 CB LEU A 26 12.734 1.453 -0.557 1.00 0.00 C ATOM 390 CG LEU A 26 12.210 0.535 0.550 1.00 0.00 C ATOM 391 CD1 LEU A 26 11.312 -0.541 -0.063 1.00 0.00 C ATOM 392 CD2 LEU A 26 13.390 -0.133 1.261 1.00 0.00 C ATOM 0 H LEU A 26 11.413 3.717 1.034 1.00 0.00 H new ATOM 0 HA LEU A 26 13.544 2.751 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.983 1.559 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.617 1.012 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 26 11.638 1.123 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.938 -1.195 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.472 -0.068 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.885 -1.128 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.017 -0.787 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.962 -0.720 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.032 0.632 1.698 1.00 0.00 H new ATOM 404 N SER A 27 14.161 4.866 -0.768 1.00 0.00 N ATOM 405 CA SER A 27 15.121 5.637 -1.619 1.00 0.00 C ATOM 406 C SER A 27 16.565 5.171 -1.364 1.00 0.00 C ATOM 407 O SER A 27 17.241 4.766 -2.290 1.00 0.00 O ATOM 408 CB SER A 27 14.935 7.105 -1.225 1.00 0.00 C ATOM 409 OG SER A 27 13.913 7.680 -2.030 1.00 0.00 O ATOM 0 H SER A 27 13.598 5.430 -0.131 1.00 0.00 H new ATOM 0 HA SER A 27 14.933 5.486 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.669 7.180 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.869 7.651 -1.358 1.00 0.00 H new ATOM 0 HG SER A 27 13.789 8.619 -1.780 1.00 0.00 H new ATOM 415 N PRO A 28 16.998 5.226 -0.118 1.00 0.00 N ATOM 416 CA PRO A 28 18.374 4.782 0.222 1.00 0.00 C ATOM 417 C PRO A 28 18.430 3.249 0.340 1.00 0.00 C ATOM 418 O PRO A 28 18.868 2.707 1.340 1.00 0.00 O ATOM 419 CB PRO A 28 18.636 5.442 1.573 1.00 0.00 C ATOM 420 CG PRO A 28 17.285 5.656 2.184 1.00 0.00 C ATOM 421 CD PRO A 28 16.270 5.701 1.067 1.00 0.00 C ATOM 0 HA PRO A 28 19.113 5.055 -0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 28 19.257 4.807 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 28 19.166 6.387 1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.050 4.851 2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 28 17.267 6.585 2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 28 15.412 5.065 1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 28 15.889 6.711 0.919 1.00 0.00 H new ATOM 429 N ALA A 29 17.989 2.549 -0.676 1.00 0.00 N ATOM 430 CA ALA A 29 18.009 1.055 -0.638 1.00 0.00 C ATOM 431 C ALA A 29 18.042 0.494 -2.064 1.00 0.00 C ATOM 432 O ALA A 29 18.905 -0.291 -2.409 1.00 0.00 O ATOM 433 CB ALA A 29 16.711 0.655 0.069 1.00 0.00 C ATOM 0 H ALA A 29 17.614 2.952 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 29 18.886 0.666 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.653 -0.431 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.697 1.081 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.858 1.030 -0.497 1.00 0.00 H new ATOM 439 N ILE A 30 17.109 0.893 -2.895 1.00 0.00 N ATOM 440 CA ILE A 30 17.082 0.386 -4.306 1.00 0.00 C ATOM 441 C ILE A 30 18.107 1.139 -5.166 1.00 0.00 C ATOM 442 O ILE A 30 18.675 0.586 -6.091 1.00 0.00 O ATOM 443 CB ILE A 30 15.656 0.655 -4.803 1.00 0.00 C ATOM 444 CG1 ILE A 30 14.657 -0.153 -3.966 1.00 0.00 C ATOM 445 CG2 ILE A 30 15.535 0.240 -6.274 1.00 0.00 C ATOM 446 CD1 ILE A 30 13.380 0.665 -3.763 1.00 0.00 C ATOM 0 H ILE A 30 16.364 1.548 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 30 17.339 -0.672 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 30 15.438 1.719 -4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.424 -1.093 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 30 15.096 -0.406 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.521 0.432 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.241 0.815 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.757 -0.823 -6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.670 0.090 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.621 1.593 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.938 0.896 -4.732 1.00 0.00 H new ATOM 458 N THR A 31 18.345 2.392 -4.866 1.00 0.00 N ATOM 459 CA THR A 31 19.334 3.189 -5.661 1.00 0.00 C ATOM 460 C THR A 31 20.729 2.558 -5.563 1.00 0.00 C ATOM 461 O THR A 31 21.464 2.513 -6.532 1.00 0.00 O ATOM 462 CB THR A 31 19.329 4.590 -5.031 1.00 0.00 C ATOM 463 OG1 THR A 31 17.988 5.037 -4.872 1.00 0.00 O ATOM 464 CG2 THR A 31 20.086 5.564 -5.938 1.00 0.00 C ATOM 0 H THR A 31 17.897 2.900 -4.103 1.00 0.00 H new ATOM 0 HA THR A 31 19.075 3.222 -6.719 1.00 0.00 H new ATOM 0 HB THR A 31 19.816 4.548 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 31 17.686 4.848 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.081 6.557 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 31 21.115 5.225 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 31 19.601 5.604 -6.914 1.00 0.00 H new ATOM 472 N LYS A 32 21.091 2.060 -4.406 1.00 0.00 N ATOM 473 CA LYS A 32 22.434 1.418 -4.247 1.00 0.00 C ATOM 474 C LYS A 32 22.340 -0.101 -4.483 1.00 0.00 C ATOM 475 O LYS A 32 23.215 -0.850 -4.091 1.00 0.00 O ATOM 476 CB LYS A 32 22.861 1.727 -2.805 1.00 0.00 C ATOM 477 CG LYS A 32 21.990 0.945 -1.813 1.00 0.00 C ATOM 478 CD LYS A 32 21.675 1.824 -0.598 1.00 0.00 C ATOM 479 CE LYS A 32 21.783 0.989 0.682 1.00 0.00 C ATOM 480 NZ LYS A 32 21.466 1.934 1.794 1.00 0.00 N ATOM 0 H LYS A 32 20.515 2.070 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 32 23.157 1.797 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 32 23.909 1.464 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.772 2.796 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.065 0.630 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.507 0.040 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.367 2.665 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.672 2.241 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.085 0.152 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.782 0.569 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.668 1.477 2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.049 2.790 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.460 2.194 1.752 1.00 0.00 H new ATOM 494 N TYR A 33 21.287 -0.558 -5.122 1.00 0.00 N ATOM 495 CA TYR A 33 21.137 -2.020 -5.388 1.00 0.00 C ATOM 496 C TYR A 33 21.222 -2.289 -6.895 1.00 0.00 C ATOM 497 O TYR A 33 21.966 -3.141 -7.337 1.00 0.00 O ATOM 498 CB TYR A 33 19.750 -2.386 -4.851 1.00 0.00 C ATOM 499 CG TYR A 33 19.872 -3.529 -3.873 1.00 0.00 C ATOM 500 CD1 TYR A 33 20.161 -3.272 -2.527 1.00 0.00 C ATOM 501 CD2 TYR A 33 19.696 -4.847 -4.311 1.00 0.00 C ATOM 502 CE1 TYR A 33 20.275 -4.333 -1.620 1.00 0.00 C ATOM 503 CE2 TYR A 33 19.810 -5.907 -3.405 1.00 0.00 C ATOM 504 CZ TYR A 33 20.099 -5.650 -2.059 1.00 0.00 C ATOM 505 OH TYR A 33 20.211 -6.695 -1.166 1.00 0.00 O ATOM 0 H TYR A 33 20.525 0.023 -5.470 1.00 0.00 H new ATOM 0 HA TYR A 33 21.921 -2.610 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 33 19.298 -1.523 -4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.093 -2.667 -5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.296 -2.255 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 33 19.472 -5.046 -5.349 1.00 0.00 H new ATOM 0 HE1 TYR A 33 20.499 -4.135 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 33 19.675 -6.924 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 33 20.059 -7.543 -1.634 1.00 0.00 H new ATOM 515 N VAL A 34 20.469 -1.563 -7.683 1.00 0.00 N ATOM 516 CA VAL A 34 20.508 -1.770 -9.165 1.00 0.00 C ATOM 517 C VAL A 34 21.657 -0.956 -9.776 1.00 0.00 C ATOM 518 O VAL A 34 22.509 -1.491 -10.458 1.00 0.00 O ATOM 519 CB VAL A 34 19.152 -1.270 -9.681 1.00 0.00 C ATOM 520 CG1 VAL A 34 19.138 -1.296 -11.214 1.00 0.00 C ATOM 521 CG2 VAL A 34 18.036 -2.178 -9.152 1.00 0.00 C ATOM 0 H VAL A 34 19.829 -0.836 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 34 20.677 -2.813 -9.433 1.00 0.00 H new ATOM 0 HB VAL A 34 18.992 -0.249 -9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.173 -0.940 -11.575 1.00 0.00 H new ATOM 0 HG12 VAL A 34 19.929 -0.651 -11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 34 19.302 -2.316 -11.562 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.073 -1.822 -9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 34 18.202 -3.198 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 34 18.038 -2.160 -8.062 1.00 0.00 H new ATOM 531 N VAL A 35 21.680 0.336 -9.527 1.00 0.00 N ATOM 532 CA VAL A 35 22.766 1.213 -10.081 1.00 0.00 C ATOM 533 C VAL A 35 22.825 1.091 -11.616 1.00 0.00 C ATOM 534 O VAL A 35 23.891 1.031 -12.203 1.00 0.00 O ATOM 535 CB VAL A 35 24.074 0.721 -9.434 1.00 0.00 C ATOM 536 CG1 VAL A 35 25.158 1.791 -9.594 1.00 0.00 C ATOM 537 CG2 VAL A 35 23.854 0.455 -7.938 1.00 0.00 C ATOM 0 H VAL A 35 20.987 0.823 -8.959 1.00 0.00 H new ATOM 0 HA VAL A 35 22.590 2.266 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 35 24.385 -0.201 -9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 35 26.084 1.443 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.327 1.982 -10.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.836 2.711 -9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.785 0.107 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.536 1.375 -7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 35 23.085 -0.307 -7.813 1.00 0.00 H new ATOM 547 N ARG A 36 21.678 1.063 -12.262 1.00 0.00 N ATOM 548 CA ARG A 36 21.633 0.954 -13.760 1.00 0.00 C ATOM 549 C ARG A 36 22.331 -0.331 -14.249 1.00 0.00 C ATOM 550 O ARG A 36 22.764 -0.351 -15.391 1.00 0.00 O ATOM 551 CB ARG A 36 22.358 2.205 -14.275 1.00 0.00 C ATOM 552 CG ARG A 36 21.679 2.705 -15.552 1.00 0.00 C ATOM 553 CD ARG A 36 20.467 3.568 -15.184 1.00 0.00 C ATOM 554 NE ARG A 36 19.579 3.514 -16.380 1.00 0.00 N ATOM 555 CZ ARG A 36 19.365 4.592 -17.084 1.00 0.00 C ATOM 556 NH1 ARG A 36 18.372 5.385 -16.775 1.00 0.00 N ATOM 557 NH2 ARG A 36 20.143 4.878 -18.095 1.00 0.00 N ATOM 558 OXT ARG A 36 22.410 -1.277 -13.480 1.00 0.00 O ATOM 0 H ARG A 36 20.764 1.111 -11.811 1.00 0.00 H new ATOM 0 HA ARG A 36 20.609 0.896 -14.129 1.00 0.00 H new ATOM 0 HB2 ARG A 36 22.343 2.985 -13.514 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.405 1.975 -14.474 1.00 0.00 H new ATOM 0 HG2 ARG A 36 22.384 3.285 -16.148 1.00 0.00 H new ATOM 0 HG3 ARG A 36 21.364 1.860 -16.164 1.00 0.00 H new ATOM 0 HD2 ARG A 36 19.961 3.182 -14.299 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.765 4.592 -14.959 1.00 0.00 H new ATOM 0 HE ARG A 36 19.138 2.634 -16.648 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.767 5.160 -15.985 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.203 6.228 -17.324 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.917 4.259 -18.334 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.976 5.721 -18.645 1.00 0.00 H new TER 572 ARG A 36