USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ 141:sc= 0.919 (180deg=0) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.695) USER MOD Set 1.3: A 54 GLN : amide:sc= 0.817 K(o=1.7,f=-2.5) USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= 0.0538 USER MOD Set 2.2: A 50 THR OG1 : rot 105:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 89:sc= 0.171 USER MOD Single : A 18 GLN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -24:sc= -1.16! USER MOD Single : A 23 MET CE :methyl 180:sc=-0.00899 (180deg=-0.00899) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.08) USER MOD Single : A 39 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.027) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 47:sc= 0.924 USER MOD Single : A 61 CYS SG : rot 17:sc= 0.352 USER MOD Single : A 62 SER OG : rot 51:sc= 0.348 USER MOD Single : A 65 MET CE :methyl 165:sc= -0.0393 (180deg=-0.467) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=-0.00522 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.778 -9.840 -4.003 1.00 0.00 N ATOM 2 CA GLY A 1 28.815 -9.446 -3.067 1.00 0.00 C ATOM 3 C GLY A 1 28.275 -8.618 -1.919 1.00 0.00 C ATOM 4 O GLY A 1 28.747 -7.508 -1.669 1.00 0.00 O ATOM 0 H1 GLY A 1 28.198 -10.404 -4.769 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.061 -10.408 -3.508 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.331 -8.991 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.300 -10.338 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.579 -8.875 -3.595 1.00 0.00 H new ATOM 8 N SER A 2 27.281 -9.156 -1.219 1.00 0.00 N ATOM 9 CA SER A 2 26.673 -8.456 -0.094 1.00 0.00 C ATOM 10 C SER A 2 26.798 -9.274 1.188 1.00 0.00 C ATOM 11 O SER A 2 26.747 -10.504 1.159 1.00 0.00 O ATOM 12 CB SER A 2 25.199 -8.165 -0.384 1.00 0.00 C ATOM 13 OG SER A 2 24.519 -7.755 0.790 1.00 0.00 O ATOM 0 H SER A 2 26.880 -10.074 -1.411 1.00 0.00 H new ATOM 0 HA SER A 2 27.203 -7.513 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.121 -7.387 -1.143 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.722 -9.057 -0.791 1.00 0.00 H new ATOM 0 HG SER A 2 23.580 -7.574 0.577 1.00 0.00 H new ATOM 19 N SER A 3 26.963 -8.583 2.311 1.00 0.00 N ATOM 20 CA SER A 3 27.100 -9.244 3.603 1.00 0.00 C ATOM 21 C SER A 3 25.839 -10.029 3.948 1.00 0.00 C ATOM 22 O SER A 3 25.903 -11.208 4.296 1.00 0.00 O ATOM 23 CB SER A 3 27.390 -8.216 4.698 1.00 0.00 C ATOM 24 OG SER A 3 28.539 -7.447 4.385 1.00 0.00 O ATOM 0 H SER A 3 27.005 -7.565 2.352 1.00 0.00 H new ATOM 0 HA SER A 3 27.935 -9.941 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.530 -7.557 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.538 -8.726 5.650 1.00 0.00 H new ATOM 0 HG SER A 3 28.702 -6.796 5.100 1.00 0.00 H new ATOM 30 N GLY A 4 24.690 -9.366 3.849 1.00 0.00 N ATOM 31 CA GLY A 4 23.429 -10.016 4.154 1.00 0.00 C ATOM 32 C GLY A 4 22.251 -9.067 4.062 1.00 0.00 C ATOM 33 O GLY A 4 22.406 -7.856 4.220 1.00 0.00 O ATOM 0 H GLY A 4 24.611 -8.390 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.276 -10.847 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.475 -10.438 5.158 1.00 0.00 H new ATOM 37 N SER A 5 21.068 -9.617 3.804 1.00 0.00 N ATOM 38 CA SER A 5 19.859 -8.811 3.686 1.00 0.00 C ATOM 39 C SER A 5 19.472 -8.212 5.035 1.00 0.00 C ATOM 40 O SER A 5 18.600 -8.734 5.730 1.00 0.00 O ATOM 41 CB SER A 5 18.708 -9.657 3.141 1.00 0.00 C ATOM 42 OG SER A 5 18.724 -9.688 1.724 1.00 0.00 O ATOM 0 H SER A 5 20.922 -10.618 3.673 1.00 0.00 H new ATOM 0 HA SER A 5 20.061 -7.996 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.782 -10.672 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.758 -9.251 3.488 1.00 0.00 H new ATOM 0 HG SER A 5 17.979 -10.237 1.400 1.00 0.00 H new ATOM 48 N SER A 6 20.126 -7.114 5.398 1.00 0.00 N ATOM 49 CA SER A 6 19.854 -6.446 6.665 1.00 0.00 C ATOM 50 C SER A 6 18.353 -6.364 6.924 1.00 0.00 C ATOM 51 O SER A 6 17.893 -6.573 8.046 1.00 0.00 O ATOM 52 CB SER A 6 20.460 -5.041 6.665 1.00 0.00 C ATOM 53 OG SER A 6 20.088 -4.325 5.500 1.00 0.00 O ATOM 0 H SER A 6 20.848 -6.668 4.833 1.00 0.00 H new ATOM 0 HA SER A 6 20.312 -7.032 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.128 -4.499 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.546 -5.110 6.722 1.00 0.00 H new ATOM 0 HG SER A 6 20.486 -3.430 5.525 1.00 0.00 H new ATOM 59 N GLY A 7 17.593 -6.058 5.877 1.00 0.00 N ATOM 60 CA GLY A 7 16.152 -5.953 6.011 1.00 0.00 C ATOM 61 C GLY A 7 15.493 -5.395 4.765 1.00 0.00 C ATOM 62 O GLY A 7 15.191 -6.135 3.830 1.00 0.00 O ATOM 0 H GLY A 7 17.950 -5.881 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.738 -6.938 6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.915 -5.313 6.861 1.00 0.00 H new ATOM 66 N ALA A 8 15.267 -4.085 4.753 1.00 0.00 N ATOM 67 CA ALA A 8 14.640 -3.428 3.613 1.00 0.00 C ATOM 68 C ALA A 8 14.708 -1.911 3.748 1.00 0.00 C ATOM 69 O ALA A 8 14.624 -1.357 4.844 1.00 0.00 O ATOM 70 CB ALA A 8 13.195 -3.883 3.472 1.00 0.00 C ATOM 0 H ALA A 8 15.509 -3.458 5.520 1.00 0.00 H new ATOM 0 HA ALA A 8 15.188 -3.711 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.738 -3.385 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.166 -4.962 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 8 12.643 -3.629 4.377 1.00 0.00 H new ATOM 76 N PRO A 9 14.865 -1.221 2.609 1.00 0.00 N ATOM 77 CA PRO A 9 14.948 0.242 2.574 1.00 0.00 C ATOM 78 C PRO A 9 13.617 0.906 2.908 1.00 0.00 C ATOM 79 O PRO A 9 12.634 0.230 3.209 1.00 0.00 O ATOM 80 CB PRO A 9 15.347 0.540 1.127 1.00 0.00 C ATOM 81 CG PRO A 9 14.854 -0.631 0.349 1.00 0.00 C ATOM 82 CD PRO A 9 14.973 -1.817 1.266 1.00 0.00 C ATOM 0 HA PRO A 9 15.651 0.628 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.896 1.468 0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 9 16.427 0.654 1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.821 -0.483 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.445 -0.776 -0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.183 -2.546 1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.922 -2.336 1.131 1.00 0.00 H new ATOM 90 N GLU A 10 13.593 2.234 2.852 1.00 0.00 N ATOM 91 CA GLU A 10 12.381 2.989 3.149 1.00 0.00 C ATOM 92 C GLU A 10 11.486 3.088 1.917 1.00 0.00 C ATOM 93 O GLU A 10 11.800 2.534 0.863 1.00 0.00 O ATOM 94 CB GLU A 10 12.736 4.391 3.648 1.00 0.00 C ATOM 95 CG GLU A 10 13.292 5.300 2.565 1.00 0.00 C ATOM 96 CD GLU A 10 13.464 6.731 3.037 1.00 0.00 C ATOM 97 OE1 GLU A 10 12.487 7.302 3.566 1.00 0.00 O ATOM 98 OE2 GLU A 10 14.573 7.281 2.876 1.00 0.00 O ATOM 0 H GLU A 10 14.398 2.809 2.604 1.00 0.00 H new ATOM 0 HA GLU A 10 11.837 2.460 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.845 4.852 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.468 4.307 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.255 4.913 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.625 5.283 1.703 1.00 0.00 H new ATOM 105 N TRP A 11 10.372 3.796 2.058 1.00 0.00 N ATOM 106 CA TRP A 11 9.430 3.967 0.957 1.00 0.00 C ATOM 107 C TRP A 11 9.663 5.294 0.243 1.00 0.00 C ATOM 108 O TRP A 11 9.843 6.332 0.882 1.00 0.00 O ATOM 109 CB TRP A 11 7.992 3.897 1.473 1.00 0.00 C ATOM 110 CG TRP A 11 7.532 2.500 1.762 1.00 0.00 C ATOM 111 CD1 TRP A 11 7.682 1.814 2.933 1.00 0.00 C ATOM 112 CD2 TRP A 11 6.850 1.620 0.863 1.00 0.00 C ATOM 113 NE1 TRP A 11 7.133 0.559 2.816 1.00 0.00 N ATOM 114 CE2 TRP A 11 6.616 0.416 1.556 1.00 0.00 C ATOM 115 CE3 TRP A 11 6.412 1.731 -0.460 1.00 0.00 C ATOM 116 CZ2 TRP A 11 5.965 -0.666 0.969 1.00 0.00 C ATOM 117 CZ3 TRP A 11 5.766 0.657 -1.041 1.00 0.00 C ATOM 118 CH2 TRP A 11 5.547 -0.529 -0.327 1.00 0.00 C ATOM 0 H TRP A 11 10.098 4.261 2.923 1.00 0.00 H new ATOM 0 HA TRP A 11 9.592 3.159 0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.910 4.494 2.381 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.327 4.346 0.735 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.161 2.200 3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.114 -0.150 3.549 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.576 2.641 -1.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.796 -1.581 1.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.424 0.733 -2.063 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.038 -1.351 -0.809 1.00 0.00 H new ATOM 129 N THR A 12 9.659 5.255 -1.086 1.00 0.00 N ATOM 130 CA THR A 12 9.871 6.454 -1.886 1.00 0.00 C ATOM 131 C THR A 12 8.709 6.688 -2.845 1.00 0.00 C ATOM 132 O THR A 12 8.063 5.741 -3.292 1.00 0.00 O ATOM 133 CB THR A 12 11.179 6.366 -2.695 1.00 0.00 C ATOM 134 OG1 THR A 12 11.124 5.255 -3.595 1.00 0.00 O ATOM 135 CG2 THR A 12 12.378 6.218 -1.770 1.00 0.00 C ATOM 0 H THR A 12 9.511 4.405 -1.631 1.00 0.00 H new ATOM 0 HA THR A 12 9.938 7.290 -1.190 1.00 0.00 H new ATOM 0 HB THR A 12 11.291 7.289 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.958 5.207 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.290 6.158 -2.364 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.434 7.080 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.270 5.310 -1.177 1.00 0.00 H new ATOM 143 N GLU A 13 8.450 7.954 -3.156 1.00 0.00 N ATOM 144 CA GLU A 13 7.365 8.310 -4.063 1.00 0.00 C ATOM 145 C GLU A 13 7.182 7.244 -5.139 1.00 0.00 C ATOM 146 O GLU A 13 6.060 6.937 -5.539 1.00 0.00 O ATOM 147 CB GLU A 13 7.640 9.667 -4.716 1.00 0.00 C ATOM 148 CG GLU A 13 7.070 10.842 -3.940 1.00 0.00 C ATOM 149 CD GLU A 13 7.783 12.145 -4.247 1.00 0.00 C ATOM 150 OE1 GLU A 13 9.031 12.139 -4.306 1.00 0.00 O ATOM 151 OE2 GLU A 13 7.094 13.170 -4.427 1.00 0.00 O ATOM 0 H GLU A 13 8.976 8.749 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 13 6.446 8.374 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.717 9.799 -4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.220 9.669 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.011 10.948 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.141 10.636 -2.872 1.00 0.00 H new ATOM 158 N GLU A 14 8.295 6.683 -5.603 1.00 0.00 N ATOM 159 CA GLU A 14 8.257 5.652 -6.633 1.00 0.00 C ATOM 160 C GLU A 14 7.566 4.393 -6.118 1.00 0.00 C ATOM 161 O GLU A 14 6.682 3.844 -6.776 1.00 0.00 O ATOM 162 CB GLU A 14 9.675 5.314 -7.100 1.00 0.00 C ATOM 163 CG GLU A 14 9.715 4.483 -8.371 1.00 0.00 C ATOM 164 CD GLU A 14 10.990 3.671 -8.497 1.00 0.00 C ATOM 165 OE1 GLU A 14 11.105 2.638 -7.804 1.00 0.00 O ATOM 166 OE2 GLU A 14 11.871 4.067 -9.288 1.00 0.00 O ATOM 0 H GLU A 14 9.232 6.925 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 14 7.686 6.039 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.225 6.241 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.191 4.774 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.857 3.811 -8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.621 5.142 -9.234 1.00 0.00 H new ATOM 173 N ASP A 15 7.975 3.941 -4.938 1.00 0.00 N ATOM 174 CA ASP A 15 7.396 2.747 -4.333 1.00 0.00 C ATOM 175 C ASP A 15 5.998 3.035 -3.794 1.00 0.00 C ATOM 176 O ASP A 15 5.154 2.141 -3.717 1.00 0.00 O ATOM 177 CB ASP A 15 8.294 2.232 -3.208 1.00 0.00 C ATOM 178 CG ASP A 15 9.298 1.205 -3.693 1.00 0.00 C ATOM 179 OD1 ASP A 15 10.391 1.608 -4.142 1.00 0.00 O ATOM 180 OD2 ASP A 15 8.990 -0.004 -3.622 1.00 0.00 O ATOM 0 H ASP A 15 8.706 4.384 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 15 7.318 1.980 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.825 3.071 -2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.676 1.790 -2.427 1.00 0.00 H new ATOM 185 N LEU A 16 5.760 4.288 -3.420 1.00 0.00 N ATOM 186 CA LEU A 16 4.465 4.694 -2.886 1.00 0.00 C ATOM 187 C LEU A 16 3.466 4.943 -4.012 1.00 0.00 C ATOM 188 O LEU A 16 2.259 4.782 -3.831 1.00 0.00 O ATOM 189 CB LEU A 16 4.615 5.956 -2.034 1.00 0.00 C ATOM 190 CG LEU A 16 5.033 5.737 -0.580 1.00 0.00 C ATOM 191 CD1 LEU A 16 5.431 7.056 0.065 1.00 0.00 C ATOM 192 CD2 LEU A 16 3.909 5.076 0.205 1.00 0.00 C ATOM 0 H LEU A 16 6.447 5.040 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 16 4.087 3.884 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.350 6.606 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.665 6.491 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 16 5.898 5.073 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.726 6.881 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.268 7.491 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.585 7.743 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.225 4.928 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.026 5.714 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.670 4.111 -0.243 1.00 0.00 H new ATOM 204 N SER A 17 3.977 5.334 -5.174 1.00 0.00 N ATOM 205 CA SER A 17 3.130 5.607 -6.329 1.00 0.00 C ATOM 206 C SER A 17 2.824 4.322 -7.094 1.00 0.00 C ATOM 207 O SER A 17 1.755 4.181 -7.686 1.00 0.00 O ATOM 208 CB SER A 17 3.806 6.617 -7.258 1.00 0.00 C ATOM 209 OG SER A 17 3.642 7.940 -6.778 1.00 0.00 O ATOM 0 H SER A 17 4.974 5.469 -5.341 1.00 0.00 H new ATOM 0 HA SER A 17 2.192 6.028 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.868 6.386 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.383 6.535 -8.259 1.00 0.00 H new ATOM 0 HG SER A 17 4.375 8.159 -6.165 1.00 0.00 H new ATOM 215 N GLN A 18 3.771 3.390 -7.075 1.00 0.00 N ATOM 216 CA GLN A 18 3.603 2.117 -7.766 1.00 0.00 C ATOM 217 C GLN A 18 2.600 1.230 -7.037 1.00 0.00 C ATOM 218 O GLN A 18 1.792 0.543 -7.664 1.00 0.00 O ATOM 219 CB GLN A 18 4.947 1.397 -7.886 1.00 0.00 C ATOM 220 CG GLN A 18 5.801 1.890 -9.042 1.00 0.00 C ATOM 221 CD GLN A 18 5.533 1.136 -10.330 1.00 0.00 C ATOM 222 OE1 GLN A 18 6.321 0.282 -10.738 1.00 0.00 O ATOM 223 NE2 GLN A 18 4.417 1.447 -10.977 1.00 0.00 N ATOM 0 H GLN A 18 4.662 3.492 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 18 3.219 2.322 -8.765 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.501 1.523 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.768 0.329 -8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.612 2.952 -9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.854 1.790 -8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.793 2.161 -10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.184 0.972 -11.849 1.00 0.00 H new ATOM 232 N LEU A 19 2.657 1.248 -5.710 1.00 0.00 N ATOM 233 CA LEU A 19 1.753 0.444 -4.895 1.00 0.00 C ATOM 234 C LEU A 19 0.318 0.558 -5.399 1.00 0.00 C ATOM 235 O LEU A 19 -0.359 -0.449 -5.612 1.00 0.00 O ATOM 236 CB LEU A 19 1.827 0.883 -3.431 1.00 0.00 C ATOM 237 CG LEU A 19 0.957 0.098 -2.450 1.00 0.00 C ATOM 238 CD1 LEU A 19 1.355 -1.369 -2.439 1.00 0.00 C ATOM 239 CD2 LEU A 19 1.061 0.692 -1.052 1.00 0.00 C ATOM 0 H LEU A 19 3.319 1.810 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 19 2.064 -0.598 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.864 0.812 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.546 1.935 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.080 0.169 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.725 -1.912 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.228 -1.788 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.398 -1.461 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.435 0.121 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.097 0.652 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.725 1.729 -1.071 1.00 0.00 H new ATOM 251 N THR A 20 -0.141 1.791 -5.591 1.00 0.00 N ATOM 252 CA THR A 20 -1.495 2.037 -6.071 1.00 0.00 C ATOM 253 C THR A 20 -1.765 1.279 -7.366 1.00 0.00 C ATOM 254 O THR A 20 -2.868 0.780 -7.586 1.00 0.00 O ATOM 255 CB THR A 20 -1.743 3.538 -6.307 1.00 0.00 C ATOM 256 OG1 THR A 20 -1.441 4.277 -5.118 1.00 0.00 O ATOM 257 CG2 THR A 20 -3.187 3.791 -6.714 1.00 0.00 C ATOM 0 H THR A 20 0.406 2.635 -5.421 1.00 0.00 H new ATOM 0 HA THR A 20 -2.175 1.682 -5.296 1.00 0.00 H new ATOM 0 HB THR A 20 -1.091 3.869 -7.116 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.600 5.231 -5.277 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.338 4.858 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.405 3.251 -7.635 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.854 3.446 -5.924 1.00 0.00 H new ATOM 265 N ARG A 21 -0.750 1.197 -8.221 1.00 0.00 N ATOM 266 CA ARG A 21 -0.879 0.500 -9.495 1.00 0.00 C ATOM 267 C ARG A 21 -1.020 -1.004 -9.280 1.00 0.00 C ATOM 268 O ARG A 21 -1.857 -1.654 -9.906 1.00 0.00 O ATOM 269 CB ARG A 21 0.333 0.788 -10.383 1.00 0.00 C ATOM 270 CG ARG A 21 0.623 2.270 -10.556 1.00 0.00 C ATOM 271 CD ARG A 21 -0.109 2.844 -11.759 1.00 0.00 C ATOM 272 NE ARG A 21 -1.559 2.754 -11.612 1.00 0.00 N ATOM 273 CZ ARG A 21 -2.402 2.746 -12.638 1.00 0.00 C ATOM 274 NH1 ARG A 21 -1.943 2.823 -13.879 1.00 0.00 N ATOM 275 NH2 ARG A 21 -3.709 2.662 -12.424 1.00 0.00 N ATOM 0 H ARG A 21 0.170 1.605 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.779 0.865 -9.991 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.210 0.302 -9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.168 0.342 -11.364 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.324 2.808 -9.656 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.696 2.420 -10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.178 3.887 -11.894 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.198 2.310 -12.658 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.945 2.694 -10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.939 2.889 -14.048 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.593 2.817 -14.665 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.067 2.604 -11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.356 2.656 -13.213 1.00 0.00 H new ATOM 289 N SER A 22 -0.195 -1.549 -8.392 1.00 0.00 N ATOM 290 CA SER A 22 -0.224 -2.977 -8.098 1.00 0.00 C ATOM 291 C SER A 22 -1.536 -3.366 -7.423 1.00 0.00 C ATOM 292 O SER A 22 -2.162 -4.362 -7.786 1.00 0.00 O ATOM 293 CB SER A 22 0.956 -3.359 -7.203 1.00 0.00 C ATOM 294 OG SER A 22 0.957 -2.598 -6.008 1.00 0.00 O ATOM 0 H SER A 22 0.502 -1.024 -7.864 1.00 0.00 H new ATOM 0 HA SER A 22 -0.146 -3.519 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.905 -4.421 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.891 -3.199 -7.740 1.00 0.00 H new ATOM 0 HG SER A 22 0.476 -1.757 -6.155 1.00 0.00 H new ATOM 300 N MET A 23 -1.946 -2.572 -6.439 1.00 0.00 N ATOM 301 CA MET A 23 -3.184 -2.832 -5.714 1.00 0.00 C ATOM 302 C MET A 23 -4.323 -3.150 -6.678 1.00 0.00 C ATOM 303 O MET A 23 -5.207 -3.948 -6.367 1.00 0.00 O ATOM 304 CB MET A 23 -3.556 -1.626 -4.848 1.00 0.00 C ATOM 305 CG MET A 23 -2.658 -1.450 -3.634 1.00 0.00 C ATOM 306 SD MET A 23 -3.238 -0.154 -2.524 1.00 0.00 S ATOM 307 CE MET A 23 -3.619 -1.109 -1.058 1.00 0.00 C ATOM 0 H MET A 23 -1.439 -1.744 -6.126 1.00 0.00 H new ATOM 0 HA MET A 23 -3.024 -3.697 -5.071 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.510 -0.723 -5.457 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.588 -1.733 -4.514 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.602 -2.392 -3.089 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.647 -1.213 -3.966 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.991 -0.445 -0.278 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.380 -1.852 -1.296 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.718 -1.612 -0.707 1.00 0.00 H new ATOM 317 N VAL A 24 -4.294 -2.522 -7.849 1.00 0.00 N ATOM 318 CA VAL A 24 -5.323 -2.739 -8.859 1.00 0.00 C ATOM 319 C VAL A 24 -5.172 -4.109 -9.512 1.00 0.00 C ATOM 320 O VAL A 24 -6.154 -4.818 -9.727 1.00 0.00 O ATOM 321 CB VAL A 24 -5.277 -1.654 -9.950 1.00 0.00 C ATOM 322 CG1 VAL A 24 -6.318 -1.931 -11.024 1.00 0.00 C ATOM 323 CG2 VAL A 24 -5.481 -0.276 -9.340 1.00 0.00 C ATOM 0 H VAL A 24 -3.569 -1.859 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.284 -2.688 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.293 -1.676 -10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.270 -1.153 -11.786 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.120 -2.900 -11.481 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.311 -1.938 -10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.445 0.479 -10.126 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.451 -0.238 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.693 -0.080 -8.613 1.00 0.00 H new ATOM 333 N LYS A 25 -3.933 -4.475 -9.825 1.00 0.00 N ATOM 334 CA LYS A 25 -3.651 -5.760 -10.452 1.00 0.00 C ATOM 335 C LYS A 25 -3.970 -6.911 -9.503 1.00 0.00 C ATOM 336 O LYS A 25 -4.255 -8.027 -9.938 1.00 0.00 O ATOM 337 CB LYS A 25 -2.183 -5.830 -10.881 1.00 0.00 C ATOM 338 CG LYS A 25 -1.926 -6.809 -12.013 1.00 0.00 C ATOM 339 CD LYS A 25 -0.506 -6.691 -12.540 1.00 0.00 C ATOM 340 CE LYS A 25 -0.275 -7.609 -13.731 1.00 0.00 C ATOM 341 NZ LYS A 25 1.150 -7.611 -14.162 1.00 0.00 N ATOM 0 H LYS A 25 -3.109 -3.899 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.286 -5.853 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.856 -4.837 -11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.575 -6.114 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.102 -7.826 -11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.632 -6.624 -12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.309 -5.659 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.199 -6.938 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.577 -8.624 -13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.905 -7.291 -14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.266 -8.248 -14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.432 -6.648 -14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.749 -7.938 -13.378 1.00 0.00 H new ATOM 355 N PHE A 26 -3.921 -6.632 -8.205 1.00 0.00 N ATOM 356 CA PHE A 26 -4.205 -7.643 -7.194 1.00 0.00 C ATOM 357 C PHE A 26 -5.122 -7.086 -6.109 1.00 0.00 C ATOM 358 O PHE A 26 -4.676 -6.648 -5.049 1.00 0.00 O ATOM 359 CB PHE A 26 -2.904 -8.149 -6.568 1.00 0.00 C ATOM 360 CG PHE A 26 -1.798 -8.349 -7.564 1.00 0.00 C ATOM 361 CD1 PHE A 26 -1.856 -9.382 -8.486 1.00 0.00 C ATOM 362 CD2 PHE A 26 -0.700 -7.504 -7.579 1.00 0.00 C ATOM 363 CE1 PHE A 26 -0.839 -9.568 -9.403 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.320 -7.685 -8.494 1.00 0.00 C ATOM 365 CZ PHE A 26 0.250 -8.718 -9.408 1.00 0.00 C ATOM 0 H PHE A 26 -3.687 -5.713 -7.828 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.713 -8.475 -7.682 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.575 -7.439 -5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.098 -9.093 -6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.705 -10.049 -8.488 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.640 -6.694 -6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.896 -10.378 -10.116 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.171 -7.020 -8.494 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.045 -8.861 -10.125 1.00 0.00 H new ATOM 375 N PRO A 27 -6.436 -7.101 -6.380 1.00 0.00 N ATOM 376 CA PRO A 27 -7.443 -6.601 -5.440 1.00 0.00 C ATOM 377 C PRO A 27 -7.586 -7.495 -4.213 1.00 0.00 C ATOM 378 O PRO A 27 -6.829 -8.448 -4.036 1.00 0.00 O ATOM 379 CB PRO A 27 -8.733 -6.613 -6.263 1.00 0.00 C ATOM 380 CG PRO A 27 -8.508 -7.653 -7.306 1.00 0.00 C ATOM 381 CD PRO A 27 -7.038 -7.608 -7.624 1.00 0.00 C ATOM 0 HA PRO A 27 -7.181 -5.619 -5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.596 -6.855 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.926 -5.638 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.799 -8.639 -6.943 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.106 -7.451 -8.195 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.653 -8.594 -7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.829 -6.951 -8.468 1.00 0.00 H new ATOM 389 N GLY A 28 -8.563 -7.180 -3.367 1.00 0.00 N ATOM 390 CA GLY A 28 -8.787 -7.966 -2.168 1.00 0.00 C ATOM 391 C GLY A 28 -9.390 -9.324 -2.468 1.00 0.00 C ATOM 392 O GLY A 28 -10.100 -9.490 -3.458 1.00 0.00 O ATOM 0 H GLY A 28 -9.203 -6.395 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.841 -8.100 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.449 -7.418 -1.497 1.00 0.00 H new ATOM 396 N GLY A 29 -9.104 -10.299 -1.611 1.00 0.00 N ATOM 397 CA GLY A 29 -9.629 -11.638 -1.808 1.00 0.00 C ATOM 398 C GLY A 29 -8.790 -12.454 -2.770 1.00 0.00 C ATOM 399 O GLY A 29 -8.893 -13.681 -2.810 1.00 0.00 O ATOM 0 H GLY A 29 -8.518 -10.186 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.677 -12.151 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.649 -11.573 -2.186 1.00 0.00 H new ATOM 403 N THR A 30 -7.956 -11.773 -3.550 1.00 0.00 N ATOM 404 CA THR A 30 -7.098 -12.442 -4.520 1.00 0.00 C ATOM 405 C THR A 30 -6.017 -13.261 -3.823 1.00 0.00 C ATOM 406 O THR A 30 -5.414 -12.830 -2.841 1.00 0.00 O ATOM 407 CB THR A 30 -6.428 -11.431 -5.469 1.00 0.00 C ATOM 408 OG1 THR A 30 -7.241 -11.238 -6.632 1.00 0.00 O ATOM 409 CG2 THR A 30 -5.046 -11.913 -5.885 1.00 0.00 C ATOM 0 H THR A 30 -7.857 -10.758 -3.529 1.00 0.00 H new ATOM 0 HA THR A 30 -7.736 -13.107 -5.102 1.00 0.00 H new ATOM 0 HB THR A 30 -6.321 -10.484 -4.939 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.741 -10.722 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.592 -11.183 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.420 -12.031 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.134 -12.871 -6.398 1.00 0.00 H new ATOM 417 N PRO A 31 -5.764 -14.472 -4.343 1.00 0.00 N ATOM 418 CA PRO A 31 -4.754 -15.377 -3.787 1.00 0.00 C ATOM 419 C PRO A 31 -3.333 -14.872 -4.019 1.00 0.00 C ATOM 420 O PRO A 31 -2.885 -14.752 -5.158 1.00 0.00 O ATOM 421 CB PRO A 31 -4.988 -16.683 -4.550 1.00 0.00 C ATOM 422 CG PRO A 31 -5.616 -16.263 -5.835 1.00 0.00 C ATOM 423 CD PRO A 31 -6.445 -15.050 -5.514 1.00 0.00 C ATOM 0 HA PRO A 31 -4.848 -15.477 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.052 -17.214 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.639 -17.356 -3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.857 -16.031 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.235 -17.061 -6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.473 -14.350 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.477 -15.317 -5.287 1.00 0.00 H new ATOM 431 N GLY A 32 -2.629 -14.578 -2.930 1.00 0.00 N ATOM 432 CA GLY A 32 -1.267 -14.090 -3.037 1.00 0.00 C ATOM 433 C GLY A 32 -1.204 -12.604 -3.328 1.00 0.00 C ATOM 434 O GLY A 32 -0.207 -12.108 -3.853 1.00 0.00 O ATOM 0 H GLY A 32 -2.978 -14.669 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.736 -14.298 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.751 -14.634 -3.828 1.00 0.00 H new ATOM 438 N ARG A 33 -2.273 -11.890 -2.987 1.00 0.00 N ATOM 439 CA ARG A 33 -2.336 -10.452 -3.217 1.00 0.00 C ATOM 440 C ARG A 33 -1.037 -9.775 -2.791 1.00 0.00 C ATOM 441 O ARG A 33 -0.244 -9.347 -3.630 1.00 0.00 O ATOM 442 CB ARG A 33 -3.515 -9.844 -2.455 1.00 0.00 C ATOM 443 CG ARG A 33 -3.570 -8.327 -2.529 1.00 0.00 C ATOM 444 CD ARG A 33 -4.489 -7.750 -1.464 1.00 0.00 C ATOM 445 NE ARG A 33 -4.897 -6.382 -1.774 1.00 0.00 N ATOM 446 CZ ARG A 33 -5.665 -5.646 -0.979 1.00 0.00 C ATOM 447 NH1 ARG A 33 -6.107 -6.143 0.168 1.00 0.00 N ATOM 448 NH2 ARG A 33 -5.993 -4.409 -1.331 1.00 0.00 N ATOM 0 H ARG A 33 -3.106 -12.284 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.478 -10.286 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.444 -10.253 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.456 -10.147 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.567 -7.919 -2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.919 -8.022 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.374 -8.379 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.981 -7.767 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.574 -5.969 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.857 -7.093 0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.697 -5.575 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.655 -4.023 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.583 -3.844 -0.720 1.00 0.00 H new ATOM 462 N TRP A 34 -0.827 -9.682 -1.483 1.00 0.00 N ATOM 463 CA TRP A 34 0.376 -9.057 -0.945 1.00 0.00 C ATOM 464 C TRP A 34 1.630 -9.740 -1.479 1.00 0.00 C ATOM 465 O TRP A 34 2.672 -9.105 -1.641 1.00 0.00 O ATOM 466 CB TRP A 34 0.363 -9.110 0.584 1.00 0.00 C ATOM 467 CG TRP A 34 -0.782 -8.360 1.194 1.00 0.00 C ATOM 468 CD1 TRP A 34 -1.718 -8.854 2.057 1.00 0.00 C ATOM 469 CD2 TRP A 34 -1.112 -6.982 0.987 1.00 0.00 C ATOM 470 NE1 TRP A 34 -2.610 -7.867 2.399 1.00 0.00 N ATOM 471 CE2 TRP A 34 -2.260 -6.709 1.756 1.00 0.00 C ATOM 472 CE3 TRP A 34 -0.549 -5.953 0.228 1.00 0.00 C ATOM 473 CZ2 TRP A 34 -2.853 -5.450 1.785 1.00 0.00 C ATOM 474 CZ3 TRP A 34 -1.139 -4.704 0.258 1.00 0.00 C ATOM 475 CH2 TRP A 34 -2.281 -4.460 1.032 1.00 0.00 C ATOM 0 H TRP A 34 -1.474 -10.031 -0.776 1.00 0.00 H new ATOM 0 HA TRP A 34 0.388 -8.015 -1.265 1.00 0.00 H new ATOM 0 HB2 TRP A 34 0.318 -10.151 0.904 1.00 0.00 H new ATOM 0 HB3 TRP A 34 1.299 -8.700 0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -1.752 -9.871 2.418 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -3.404 -7.978 3.029 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.332 -6.131 -0.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -3.734 -5.261 2.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.712 -3.902 -0.326 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -2.718 -3.472 1.035 1.00 0.00 H new ATOM 486 N GLU A 35 1.522 -11.037 -1.752 1.00 0.00 N ATOM 487 CA GLU A 35 2.650 -11.804 -2.267 1.00 0.00 C ATOM 488 C GLU A 35 3.015 -11.354 -3.679 1.00 0.00 C ATOM 489 O GLU A 35 4.179 -11.400 -4.076 1.00 0.00 O ATOM 490 CB GLU A 35 2.320 -13.299 -2.266 1.00 0.00 C ATOM 491 CG GLU A 35 2.730 -14.011 -0.988 1.00 0.00 C ATOM 492 CD GLU A 35 2.490 -15.507 -1.052 1.00 0.00 C ATOM 493 OE1 GLU A 35 3.399 -16.234 -1.508 1.00 0.00 O ATOM 494 OE2 GLU A 35 1.396 -15.952 -0.648 1.00 0.00 O ATOM 0 H GLU A 35 0.666 -11.577 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 35 3.506 -11.627 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.248 -13.426 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.818 -13.773 -3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.786 -13.824 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.174 -13.593 -0.149 1.00 0.00 H new ATOM 501 N LYS A 36 2.011 -10.918 -4.433 1.00 0.00 N ATOM 502 CA LYS A 36 2.224 -10.458 -5.800 1.00 0.00 C ATOM 503 C LYS A 36 2.656 -8.995 -5.820 1.00 0.00 C ATOM 504 O LYS A 36 3.609 -8.630 -6.509 1.00 0.00 O ATOM 505 CB LYS A 36 0.947 -10.636 -6.624 1.00 0.00 C ATOM 506 CG LYS A 36 0.485 -12.079 -6.728 1.00 0.00 C ATOM 507 CD LYS A 36 -1.030 -12.180 -6.742 1.00 0.00 C ATOM 508 CE LYS A 36 -1.501 -13.387 -7.540 1.00 0.00 C ATOM 509 NZ LYS A 36 -2.829 -13.151 -8.172 1.00 0.00 N ATOM 0 H LYS A 36 1.041 -10.874 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 36 3.019 -11.059 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.151 -10.040 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.115 -10.244 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.889 -12.527 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.881 -12.650 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.400 -12.252 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.452 -11.271 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.768 -13.620 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.560 -14.255 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.483 -13.913 -7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.209 -12.238 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.724 -13.138 -9.207 1.00 0.00 H new ATOM 523 N ILE A 37 1.950 -8.164 -5.061 1.00 0.00 N ATOM 524 CA ILE A 37 2.263 -6.742 -4.991 1.00 0.00 C ATOM 525 C ILE A 37 3.697 -6.517 -4.523 1.00 0.00 C ATOM 526 O ILE A 37 4.376 -5.602 -4.988 1.00 0.00 O ATOM 527 CB ILE A 37 1.303 -6.000 -4.043 1.00 0.00 C ATOM 528 CG1 ILE A 37 -0.121 -6.022 -4.603 1.00 0.00 C ATOM 529 CG2 ILE A 37 1.771 -4.569 -3.828 1.00 0.00 C ATOM 530 CD1 ILE A 37 -1.170 -5.583 -3.606 1.00 0.00 C ATOM 0 H ILE A 37 1.158 -8.451 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 37 2.145 -6.343 -5.999 1.00 0.00 H new ATOM 0 HB ILE A 37 1.302 -6.510 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.169 -5.373 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.354 -7.031 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.082 -4.058 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.769 -4.575 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.798 -4.047 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.155 -5.624 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.150 -6.246 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.962 -4.562 -3.285 1.00 0.00 H new ATOM 542 N ALA A 38 4.151 -7.360 -3.602 1.00 0.00 N ATOM 543 CA ALA A 38 5.506 -7.256 -3.073 1.00 0.00 C ATOM 544 C ALA A 38 6.540 -7.567 -4.149 1.00 0.00 C ATOM 545 O ALA A 38 7.493 -6.811 -4.346 1.00 0.00 O ATOM 546 CB ALA A 38 5.682 -8.188 -1.884 1.00 0.00 C ATOM 0 H ALA A 38 3.601 -8.123 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 38 5.662 -6.229 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.698 -8.100 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.973 -7.917 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.501 -9.216 -2.198 1.00 0.00 H new ATOM 552 N HIS A 39 6.348 -8.684 -4.844 1.00 0.00 N ATOM 553 CA HIS A 39 7.265 -9.095 -5.901 1.00 0.00 C ATOM 554 C HIS A 39 7.323 -8.046 -7.007 1.00 0.00 C ATOM 555 O HIS A 39 8.333 -7.917 -7.699 1.00 0.00 O ATOM 556 CB HIS A 39 6.836 -10.443 -6.481 1.00 0.00 C ATOM 557 CG HIS A 39 7.389 -10.710 -7.847 1.00 0.00 C ATOM 558 ND1 HIS A 39 8.601 -11.331 -8.061 1.00 0.00 N ATOM 559 CD2 HIS A 39 6.887 -10.436 -9.074 1.00 0.00 C ATOM 560 CE1 HIS A 39 8.821 -11.428 -9.360 1.00 0.00 C ATOM 561 NE2 HIS A 39 7.796 -10.892 -9.997 1.00 0.00 N ATOM 0 H HIS A 39 5.565 -9.321 -4.694 1.00 0.00 H new ATOM 0 HA HIS A 39 8.260 -9.195 -5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.156 -11.238 -5.807 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.748 -10.481 -6.525 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.947 -9.949 -9.287 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.691 -11.870 -9.822 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.696 -10.827 -11.010 1.00 0.00 H new ATOM 569 N GLU A 40 6.234 -7.302 -7.169 1.00 0.00 N ATOM 570 CA GLU A 40 6.162 -6.266 -8.193 1.00 0.00 C ATOM 571 C GLU A 40 6.867 -4.994 -7.731 1.00 0.00 C ATOM 572 O GLU A 40 7.666 -4.412 -8.465 1.00 0.00 O ATOM 573 CB GLU A 40 4.703 -5.958 -8.536 1.00 0.00 C ATOM 574 CG GLU A 40 4.015 -7.065 -9.318 1.00 0.00 C ATOM 575 CD GLU A 40 4.552 -7.203 -10.729 1.00 0.00 C ATOM 576 OE1 GLU A 40 5.659 -7.757 -10.890 1.00 0.00 O ATOM 577 OE2 GLU A 40 3.865 -6.757 -11.672 1.00 0.00 O ATOM 0 H GLU A 40 5.390 -7.397 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 40 6.667 -6.637 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.151 -5.780 -7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.662 -5.036 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.142 -8.010 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.944 -6.865 -9.359 1.00 0.00 H new ATOM 584 N LEU A 41 6.565 -4.568 -6.509 1.00 0.00 N ATOM 585 CA LEU A 41 7.169 -3.365 -5.948 1.00 0.00 C ATOM 586 C LEU A 41 8.623 -3.614 -5.563 1.00 0.00 C ATOM 587 O LEU A 41 9.397 -2.675 -5.378 1.00 0.00 O ATOM 588 CB LEU A 41 6.378 -2.897 -4.725 1.00 0.00 C ATOM 589 CG LEU A 41 4.939 -2.452 -4.986 1.00 0.00 C ATOM 590 CD1 LEU A 41 4.311 -1.902 -3.714 1.00 0.00 C ATOM 591 CD2 LEU A 41 4.895 -1.413 -6.097 1.00 0.00 C ATOM 0 H LEU A 41 5.906 -5.038 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 41 7.143 -2.586 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.360 -3.708 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.916 -2.068 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 41 4.363 -3.321 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.287 -1.590 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.308 -2.675 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.888 -1.046 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.863 -1.108 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.487 -0.545 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.304 -1.841 -7.012 1.00 0.00 H new ATOM 603 N GLY A 42 8.989 -4.887 -5.445 1.00 0.00 N ATOM 604 CA GLY A 42 10.351 -5.237 -5.084 1.00 0.00 C ATOM 605 C GLY A 42 10.552 -5.315 -3.584 1.00 0.00 C ATOM 606 O GLY A 42 11.685 -5.328 -3.102 1.00 0.00 O ATOM 0 H GLY A 42 8.367 -5.682 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.607 -6.197 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.035 -4.498 -5.501 1.00 0.00 H new ATOM 610 N ARG A 43 9.450 -5.367 -2.843 1.00 0.00 N ATOM 611 CA ARG A 43 9.510 -5.441 -1.388 1.00 0.00 C ATOM 612 C ARG A 43 8.903 -6.747 -0.885 1.00 0.00 C ATOM 613 O ARG A 43 8.528 -7.614 -1.675 1.00 0.00 O ATOM 614 CB ARG A 43 8.777 -4.252 -0.765 1.00 0.00 C ATOM 615 CG ARG A 43 9.440 -2.913 -1.043 1.00 0.00 C ATOM 616 CD ARG A 43 8.600 -1.757 -0.525 1.00 0.00 C ATOM 617 NE ARG A 43 9.113 -0.464 -0.971 1.00 0.00 N ATOM 618 CZ ARG A 43 10.254 0.062 -0.541 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.997 -0.590 0.343 1.00 0.00 N ATOM 620 NH2 ARG A 43 10.654 1.243 -0.994 1.00 0.00 N ATOM 0 H ARG A 43 8.505 -5.359 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 43 10.558 -5.409 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.755 -4.227 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.714 -4.400 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.423 -2.888 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.596 -2.799 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.571 -1.876 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.580 -1.783 0.565 1.00 0.00 H new ATOM 0 HE ARG A 43 8.565 0.064 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.693 -1.498 0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.873 -0.184 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.085 1.748 -1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.531 1.646 -0.663 1.00 0.00 H new ATOM 634 N SER A 44 8.809 -6.881 0.434 1.00 0.00 N ATOM 635 CA SER A 44 8.251 -8.083 1.043 1.00 0.00 C ATOM 636 C SER A 44 6.770 -7.896 1.357 1.00 0.00 C ATOM 637 O SER A 44 6.287 -6.771 1.478 1.00 0.00 O ATOM 638 CB SER A 44 9.015 -8.434 2.321 1.00 0.00 C ATOM 639 OG SER A 44 10.280 -8.998 2.021 1.00 0.00 O ATOM 0 H SER A 44 9.112 -6.172 1.102 1.00 0.00 H new ATOM 0 HA SER A 44 8.352 -8.902 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.148 -7.538 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.432 -9.137 2.916 1.00 0.00 H new ATOM 0 HG SER A 44 10.749 -9.212 2.855 1.00 0.00 H new ATOM 645 N VAL A 45 6.054 -9.009 1.486 1.00 0.00 N ATOM 646 CA VAL A 45 4.628 -8.969 1.787 1.00 0.00 C ATOM 647 C VAL A 45 4.331 -7.989 2.917 1.00 0.00 C ATOM 648 O VAL A 45 3.811 -6.897 2.686 1.00 0.00 O ATOM 649 CB VAL A 45 4.098 -10.362 2.178 1.00 0.00 C ATOM 650 CG1 VAL A 45 2.652 -10.272 2.641 1.00 0.00 C ATOM 651 CG2 VAL A 45 4.235 -11.330 1.013 1.00 0.00 C ATOM 0 H VAL A 45 6.438 -9.949 1.387 1.00 0.00 H new ATOM 0 HA VAL A 45 4.123 -8.637 0.880 1.00 0.00 H new ATOM 0 HB VAL A 45 4.696 -10.740 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.295 -11.265 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.588 -9.613 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.036 -9.873 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.856 -12.309 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.662 -10.959 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.285 -11.417 0.733 1.00 0.00 H new ATOM 661 N THR A 46 4.666 -8.386 4.141 1.00 0.00 N ATOM 662 CA THR A 46 4.436 -7.543 5.307 1.00 0.00 C ATOM 663 C THR A 46 4.895 -6.113 5.051 1.00 0.00 C ATOM 664 O THR A 46 4.236 -5.156 5.460 1.00 0.00 O ATOM 665 CB THR A 46 5.165 -8.091 6.549 1.00 0.00 C ATOM 666 OG1 THR A 46 4.816 -7.318 7.702 1.00 0.00 O ATOM 667 CG2 THR A 46 6.673 -8.060 6.348 1.00 0.00 C ATOM 0 H THR A 46 5.098 -9.286 4.350 1.00 0.00 H new ATOM 0 HA THR A 46 3.362 -7.548 5.494 1.00 0.00 H new ATOM 0 HB THR A 46 4.856 -9.125 6.699 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.282 -7.673 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.167 -8.451 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.938 -8.673 5.486 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.996 -7.033 6.176 1.00 0.00 H new ATOM 675 N ASP A 47 6.029 -5.973 4.373 1.00 0.00 N ATOM 676 CA ASP A 47 6.576 -4.658 4.062 1.00 0.00 C ATOM 677 C ASP A 47 5.558 -3.811 3.304 1.00 0.00 C ATOM 678 O ASP A 47 5.449 -2.605 3.526 1.00 0.00 O ATOM 679 CB ASP A 47 7.857 -4.797 3.237 1.00 0.00 C ATOM 680 CG ASP A 47 9.101 -4.847 4.103 1.00 0.00 C ATOM 681 OD1 ASP A 47 9.323 -5.884 4.762 1.00 0.00 O ATOM 682 OD2 ASP A 47 9.851 -3.848 4.123 1.00 0.00 O ATOM 0 H ASP A 47 6.587 -6.754 4.028 1.00 0.00 H new ATOM 0 HA ASP A 47 6.810 -4.158 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.801 -5.703 2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.933 -3.958 2.545 1.00 0.00 H new ATOM 687 N VAL A 48 4.815 -4.451 2.406 1.00 0.00 N ATOM 688 CA VAL A 48 3.806 -3.757 1.615 1.00 0.00 C ATOM 689 C VAL A 48 2.531 -3.539 2.421 1.00 0.00 C ATOM 690 O VAL A 48 2.164 -2.404 2.730 1.00 0.00 O ATOM 691 CB VAL A 48 3.463 -4.539 0.333 1.00 0.00 C ATOM 692 CG1 VAL A 48 3.056 -3.587 -0.781 1.00 0.00 C ATOM 693 CG2 VAL A 48 4.640 -5.402 -0.096 1.00 0.00 C ATOM 0 H VAL A 48 4.893 -5.449 2.209 1.00 0.00 H new ATOM 0 HA VAL A 48 4.228 -2.790 1.340 1.00 0.00 H new ATOM 0 HB VAL A 48 2.619 -5.195 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.817 -4.158 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.181 -3.017 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.878 -2.903 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.380 -5.947 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.505 -4.768 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.880 -6.110 0.697 1.00 0.00 H new ATOM 703 N THR A 49 1.857 -4.633 2.760 1.00 0.00 N ATOM 704 CA THR A 49 0.621 -4.562 3.530 1.00 0.00 C ATOM 705 C THR A 49 0.770 -3.625 4.724 1.00 0.00 C ATOM 706 O THR A 49 -0.064 -2.747 4.945 1.00 0.00 O ATOM 707 CB THR A 49 0.192 -5.953 4.034 1.00 0.00 C ATOM 708 OG1 THR A 49 -0.557 -5.825 5.248 1.00 0.00 O ATOM 709 CG2 THR A 49 1.405 -6.840 4.272 1.00 0.00 C ATOM 0 H THR A 49 2.146 -5.580 2.513 1.00 0.00 H new ATOM 0 HA THR A 49 -0.146 -4.174 2.860 1.00 0.00 H new ATOM 0 HB THR A 49 -0.432 -6.415 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.827 -6.714 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.077 -7.817 4.627 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.957 -6.960 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.051 -6.380 5.020 1.00 0.00 H new ATOM 717 N THR A 50 1.839 -3.817 5.491 1.00 0.00 N ATOM 718 CA THR A 50 2.097 -2.989 6.662 1.00 0.00 C ATOM 719 C THR A 50 2.177 -1.514 6.286 1.00 0.00 C ATOM 720 O THR A 50 1.953 -0.637 7.121 1.00 0.00 O ATOM 721 CB THR A 50 3.406 -3.401 7.363 1.00 0.00 C ATOM 722 OG1 THR A 50 3.329 -4.768 7.780 1.00 0.00 O ATOM 723 CG2 THR A 50 3.676 -2.512 8.568 1.00 0.00 C ATOM 0 H THR A 50 2.540 -4.539 5.322 1.00 0.00 H new ATOM 0 HA THR A 50 1.263 -3.141 7.347 1.00 0.00 H new ATOM 0 HB THR A 50 4.225 -3.284 6.654 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.863 -5.325 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.605 -2.821 9.047 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.763 -1.475 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.854 -2.602 9.278 1.00 0.00 H new ATOM 731 N LYS A 51 2.497 -1.246 5.025 1.00 0.00 N ATOM 732 CA LYS A 51 2.605 0.123 4.537 1.00 0.00 C ATOM 733 C LYS A 51 1.256 0.631 4.039 1.00 0.00 C ATOM 734 O LYS A 51 0.826 1.729 4.391 1.00 0.00 O ATOM 735 CB LYS A 51 3.640 0.206 3.413 1.00 0.00 C ATOM 736 CG LYS A 51 3.595 1.513 2.640 1.00 0.00 C ATOM 737 CD LYS A 51 3.664 2.713 3.569 1.00 0.00 C ATOM 738 CE LYS A 51 5.090 2.981 4.028 1.00 0.00 C ATOM 739 NZ LYS A 51 5.127 3.661 5.352 1.00 0.00 N ATOM 0 H LYS A 51 2.686 -1.960 4.322 1.00 0.00 H new ATOM 0 HA LYS A 51 2.927 0.753 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.636 0.079 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.480 -0.621 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.426 1.549 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.678 1.558 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.274 3.593 3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.028 2.540 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.635 2.039 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.600 3.598 3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.910 3.276 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.269 4.682 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.228 3.501 5.850 1.00 0.00 H new ATOM 753 N ALA A 52 0.591 -0.176 3.218 1.00 0.00 N ATOM 754 CA ALA A 52 -0.711 0.191 2.674 1.00 0.00 C ATOM 755 C ALA A 52 -1.714 0.462 3.790 1.00 0.00 C ATOM 756 O ALA A 52 -2.466 1.436 3.740 1.00 0.00 O ATOM 757 CB ALA A 52 -1.225 -0.905 1.753 1.00 0.00 C ATOM 0 H ALA A 52 0.933 -1.088 2.915 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.592 1.108 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.198 -0.618 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.523 -1.048 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.323 -1.835 2.313 1.00 0.00 H new ATOM 763 N LYS A 53 -1.722 -0.406 4.796 1.00 0.00 N ATOM 764 CA LYS A 53 -2.633 -0.260 5.925 1.00 0.00 C ATOM 765 C LYS A 53 -2.622 1.171 6.452 1.00 0.00 C ATOM 766 O LYS A 53 -3.643 1.679 6.916 1.00 0.00 O ATOM 767 CB LYS A 53 -2.249 -1.230 7.045 1.00 0.00 C ATOM 768 CG LYS A 53 -0.845 -1.015 7.582 1.00 0.00 C ATOM 769 CD LYS A 53 -0.836 -0.033 8.742 1.00 0.00 C ATOM 770 CE LYS A 53 0.296 -0.329 9.714 1.00 0.00 C ATOM 771 NZ LYS A 53 0.340 0.655 10.830 1.00 0.00 N ATOM 0 H LYS A 53 -1.108 -1.218 4.852 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.640 -0.493 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.962 -1.127 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.335 -2.252 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.429 -1.968 7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.202 -0.643 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.732 0.982 8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.790 -0.080 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.173 -1.333 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.246 -0.315 9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.318 0.983 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.269 1.466 10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.003 0.204 11.704 1.00 0.00 H new ATOM 785 N GLN A 54 -1.462 1.816 6.377 1.00 0.00 N ATOM 786 CA GLN A 54 -1.320 3.189 6.846 1.00 0.00 C ATOM 787 C GLN A 54 -2.022 4.162 5.904 1.00 0.00 C ATOM 788 O GLN A 54 -2.608 5.153 6.341 1.00 0.00 O ATOM 789 CB GLN A 54 0.159 3.558 6.970 1.00 0.00 C ATOM 790 CG GLN A 54 0.930 2.667 7.930 1.00 0.00 C ATOM 791 CD GLN A 54 2.342 3.159 8.177 1.00 0.00 C ATOM 792 OE1 GLN A 54 3.017 3.629 7.260 1.00 0.00 O ATOM 793 NE2 GLN A 54 2.797 3.054 9.420 1.00 0.00 N ATOM 0 H GLN A 54 -0.607 1.410 5.996 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.788 3.261 7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.622 3.503 5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.240 4.593 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.396 2.615 8.879 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.967 1.654 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.203 2.658 10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.740 3.369 9.646 1.00 0.00 H new ATOM 802 N LEU A 55 -1.958 3.873 4.609 1.00 0.00 N ATOM 803 CA LEU A 55 -2.588 4.722 3.603 1.00 0.00 C ATOM 804 C LEU A 55 -4.106 4.580 3.643 1.00 0.00 C ATOM 805 O LEU A 55 -4.837 5.558 3.484 1.00 0.00 O ATOM 806 CB LEU A 55 -2.067 4.367 2.209 1.00 0.00 C ATOM 807 CG LEU A 55 -0.547 4.311 2.055 1.00 0.00 C ATOM 808 CD1 LEU A 55 -0.164 3.482 0.839 1.00 0.00 C ATOM 809 CD2 LEU A 55 0.031 5.714 1.949 1.00 0.00 C ATOM 0 H LEU A 55 -1.476 3.057 4.231 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.333 5.758 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.477 3.397 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.457 5.097 1.500 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.129 3.834 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.922 3.453 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.545 2.467 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.594 3.930 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.114 5.654 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.394 6.218 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.212 6.277 2.850 1.00 0.00 H new ATOM 821 N LYS A 56 -4.575 3.355 3.859 1.00 0.00 N ATOM 822 CA LYS A 56 -6.006 3.084 3.924 1.00 0.00 C ATOM 823 C LYS A 56 -6.648 3.824 5.093 1.00 0.00 C ATOM 824 O LYS A 56 -7.769 4.320 4.986 1.00 0.00 O ATOM 825 CB LYS A 56 -6.255 1.580 4.060 1.00 0.00 C ATOM 826 CG LYS A 56 -6.176 0.829 2.743 1.00 0.00 C ATOM 827 CD LYS A 56 -6.919 -0.495 2.811 1.00 0.00 C ATOM 828 CE LYS A 56 -8.387 -0.330 2.447 1.00 0.00 C ATOM 829 NZ LYS A 56 -9.140 -1.606 2.590 1.00 0.00 N ATOM 0 H LYS A 56 -3.984 2.534 3.992 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.460 3.440 2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.525 1.161 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.239 1.422 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.597 1.443 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.132 0.649 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.453 -1.210 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.837 -0.908 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.836 0.430 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.469 0.027 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.136 -1.452 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.727 -2.325 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.084 -1.934 3.575 1.00 0.00 H new ATOM 843 N ASP A 57 -5.929 3.896 6.208 1.00 0.00 N ATOM 844 CA ASP A 57 -6.427 4.578 7.396 1.00 0.00 C ATOM 845 C ASP A 57 -6.416 6.091 7.200 1.00 0.00 C ATOM 846 O ASP A 57 -7.460 6.741 7.243 1.00 0.00 O ATOM 847 CB ASP A 57 -5.585 4.204 8.617 1.00 0.00 C ATOM 848 CG ASP A 57 -6.382 4.245 9.906 1.00 0.00 C ATOM 849 OD1 ASP A 57 -7.195 3.324 10.131 1.00 0.00 O ATOM 850 OD2 ASP A 57 -6.192 5.198 10.690 1.00 0.00 O ATOM 0 H ASP A 57 -4.999 3.490 6.313 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.456 4.259 7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.175 3.204 8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.739 4.887 8.694 1.00 0.00 H new ATOM 855 N SER A 58 -5.227 6.646 6.985 1.00 0.00 N ATOM 856 CA SER A 58 -5.078 8.083 6.787 1.00 0.00 C ATOM 857 C SER A 58 -5.577 8.495 5.405 1.00 0.00 C ATOM 858 O SER A 58 -4.856 8.382 4.413 1.00 0.00 O ATOM 859 CB SER A 58 -3.614 8.494 6.957 1.00 0.00 C ATOM 860 OG SER A 58 -3.460 9.896 6.822 1.00 0.00 O ATOM 0 H SER A 58 -4.353 6.122 6.944 1.00 0.00 H new ATOM 0 HA SER A 58 -5.680 8.593 7.539 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.256 8.178 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.001 7.984 6.214 1.00 0.00 H new ATOM 0 HG SER A 58 -2.516 10.134 6.936 1.00 0.00 H new ATOM 866 N VAL A 59 -6.816 8.973 5.348 1.00 0.00 N ATOM 867 CA VAL A 59 -7.412 9.404 4.089 1.00 0.00 C ATOM 868 C VAL A 59 -8.660 10.245 4.331 1.00 0.00 C ATOM 869 O VAL A 59 -9.316 10.120 5.366 1.00 0.00 O ATOM 870 CB VAL A 59 -7.783 8.199 3.203 1.00 0.00 C ATOM 871 CG1 VAL A 59 -9.006 7.485 3.757 1.00 0.00 C ATOM 872 CG2 VAL A 59 -8.020 8.647 1.769 1.00 0.00 C ATOM 0 H VAL A 59 -7.427 9.072 6.159 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.664 10.008 3.575 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.950 7.496 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.253 6.637 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.794 7.130 4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.849 8.176 3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.281 7.784 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.835 9.370 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.114 9.109 1.378 1.00 0.00 H new ATOM 882 N THR A 60 -8.983 11.105 3.370 1.00 0.00 N ATOM 883 CA THR A 60 -10.152 11.969 3.478 1.00 0.00 C ATOM 884 C THR A 60 -11.228 11.565 2.477 1.00 0.00 C ATOM 885 O THR A 60 -11.280 12.086 1.363 1.00 0.00 O ATOM 886 CB THR A 60 -9.782 13.446 3.249 1.00 0.00 C ATOM 887 OG1 THR A 60 -9.203 13.610 1.949 1.00 0.00 O ATOM 888 CG2 THR A 60 -8.804 13.930 4.309 1.00 0.00 C ATOM 0 H THR A 60 -8.451 11.222 2.508 1.00 0.00 H new ATOM 0 HA THR A 60 -10.539 11.852 4.490 1.00 0.00 H new ATOM 0 HB THR A 60 -10.693 14.041 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.748 13.137 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.558 14.976 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.258 13.831 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.895 13.330 4.266 1.00 0.00 H new ATOM 896 N CYS A 61 -12.086 10.635 2.881 1.00 0.00 N ATOM 897 CA CYS A 61 -13.163 10.161 2.019 1.00 0.00 C ATOM 898 C CYS A 61 -14.398 9.803 2.838 1.00 0.00 C ATOM 899 O CYS A 61 -14.360 8.901 3.676 1.00 0.00 O ATOM 900 CB CYS A 61 -12.701 8.947 1.212 1.00 0.00 C ATOM 901 SG CYS A 61 -11.604 9.351 -0.167 1.00 0.00 S ATOM 0 H CYS A 61 -12.057 10.194 3.800 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.426 10.966 1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.188 8.254 1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.577 8.427 0.825 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.130 10.551 -0.007 1.00 0.00 H new ATOM 907 N SER A 62 -15.493 10.516 2.592 1.00 0.00 N ATOM 908 CA SER A 62 -16.739 10.277 3.311 1.00 0.00 C ATOM 909 C SER A 62 -17.813 9.738 2.372 1.00 0.00 C ATOM 910 O SER A 62 -18.681 10.470 1.895 1.00 0.00 O ATOM 911 CB SER A 62 -17.225 11.566 3.975 1.00 0.00 C ATOM 912 OG SER A 62 -17.312 12.622 3.034 1.00 0.00 O ATOM 0 H SER A 62 -15.542 11.264 1.900 1.00 0.00 H new ATOM 0 HA SER A 62 -16.547 9.530 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.201 11.399 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.543 11.845 4.778 1.00 0.00 H new ATOM 0 HG SER A 62 -17.831 12.326 2.257 1.00 0.00 H new ATOM 918 N PRO A 63 -17.756 8.426 2.098 1.00 0.00 N ATOM 919 CA PRO A 63 -18.716 7.759 1.214 1.00 0.00 C ATOM 920 C PRO A 63 -20.107 7.669 1.832 1.00 0.00 C ATOM 921 O PRO A 63 -21.105 7.548 1.123 1.00 0.00 O ATOM 922 CB PRO A 63 -18.120 6.361 1.033 1.00 0.00 C ATOM 923 CG PRO A 63 -17.290 6.143 2.251 1.00 0.00 C ATOM 924 CD PRO A 63 -16.749 7.493 2.631 1.00 0.00 C ATOM 0 HA PRO A 63 -18.855 8.302 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -18.901 5.606 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.517 6.302 0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.887 5.720 3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.481 5.441 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.640 7.593 3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.766 7.670 2.194 1.00 0.00 H new ATOM 932 N GLY A 64 -20.165 7.730 3.159 1.00 0.00 N ATOM 933 CA GLY A 64 -21.439 7.654 3.850 1.00 0.00 C ATOM 934 C GLY A 64 -21.588 8.725 4.912 1.00 0.00 C ATOM 935 O GLY A 64 -20.821 8.766 5.874 1.00 0.00 O ATOM 0 H GLY A 64 -19.353 7.831 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -22.248 7.750 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -21.540 6.672 4.312 1.00 0.00 H new ATOM 939 N MET A 65 -22.577 9.596 4.738 1.00 0.00 N ATOM 940 CA MET A 65 -22.822 10.673 5.690 1.00 0.00 C ATOM 941 C MET A 65 -23.438 10.132 6.977 1.00 0.00 C ATOM 942 O MET A 65 -24.605 9.741 7.002 1.00 0.00 O ATOM 943 CB MET A 65 -23.745 11.726 5.074 1.00 0.00 C ATOM 944 CG MET A 65 -23.677 13.076 5.770 1.00 0.00 C ATOM 945 SD MET A 65 -24.317 13.020 7.455 1.00 0.00 S ATOM 946 CE MET A 65 -25.168 14.594 7.546 1.00 0.00 C ATOM 0 H MET A 65 -23.221 9.577 3.947 1.00 0.00 H new ATOM 0 HA MET A 65 -21.865 11.135 5.932 1.00 0.00 H new ATOM 0 HB2 MET A 65 -23.485 11.855 4.023 1.00 0.00 H new ATOM 0 HB3 MET A 65 -24.772 11.361 5.106 1.00 0.00 H new ATOM 0 HG2 MET A 65 -22.643 13.419 5.789 1.00 0.00 H new ATOM 0 HG3 MET A 65 -24.244 13.807 5.194 1.00 0.00 H new ATOM 0 HE1 MET A 65 -25.832 14.599 8.411 1.00 0.00 H new ATOM 0 HE2 MET A 65 -24.438 15.397 7.644 1.00 0.00 H new ATOM 0 HE3 MET A 65 -25.753 14.744 6.639 1.00 0.00 H new ATOM 956 N VAL A 66 -22.646 10.111 8.044 1.00 0.00 N ATOM 957 CA VAL A 66 -23.113 9.619 9.334 1.00 0.00 C ATOM 958 C VAL A 66 -23.029 10.705 10.400 1.00 0.00 C ATOM 959 O VAL A 66 -23.934 10.854 11.222 1.00 0.00 O ATOM 960 CB VAL A 66 -22.298 8.396 9.797 1.00 0.00 C ATOM 961 CG1 VAL A 66 -22.498 7.229 8.842 1.00 0.00 C ATOM 962 CG2 VAL A 66 -20.824 8.753 9.915 1.00 0.00 C ATOM 0 H VAL A 66 -21.677 10.429 8.040 1.00 0.00 H new ATOM 0 HA VAL A 66 -24.154 9.324 9.202 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.655 8.094 10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -21.915 6.374 9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -23.554 6.960 8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -22.169 7.516 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -20.263 7.878 10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -20.450 9.081 8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -20.701 9.556 10.642 1.00 0.00 H new ATOM 972 N SER A 67 -21.937 11.463 10.381 1.00 0.00 N ATOM 973 CA SER A 67 -21.733 12.534 11.348 1.00 0.00 C ATOM 974 C SER A 67 -22.735 13.664 11.127 1.00 0.00 C ATOM 975 O SER A 67 -22.466 14.611 10.389 1.00 0.00 O ATOM 976 CB SER A 67 -20.306 13.076 11.247 1.00 0.00 C ATOM 977 OG SER A 67 -19.976 13.858 12.382 1.00 0.00 O ATOM 0 H SER A 67 -21.180 11.355 9.706 1.00 0.00 H new ATOM 0 HA SER A 67 -21.889 12.124 12.346 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.604 12.247 11.156 1.00 0.00 H new ATOM 0 HB3 SER A 67 -20.206 13.679 10.344 1.00 0.00 H new ATOM 0 HG SER A 67 -19.059 14.191 12.294 1.00 0.00 H new ATOM 983 N GLY A 68 -23.892 13.556 11.772 1.00 0.00 N ATOM 984 CA GLY A 68 -24.917 14.573 11.634 1.00 0.00 C ATOM 985 C GLY A 68 -24.500 15.902 12.233 1.00 0.00 C ATOM 986 O GLY A 68 -23.314 16.183 12.408 1.00 0.00 O ATOM 0 H GLY A 68 -24.138 12.781 12.388 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -25.148 14.711 10.578 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.832 14.231 12.118 1.00 0.00 H new ATOM 990 N PRO A 69 -25.490 16.746 12.558 1.00 0.00 N ATOM 991 CA PRO A 69 -25.244 18.067 13.145 1.00 0.00 C ATOM 992 C PRO A 69 -24.720 17.977 14.574 1.00 0.00 C ATOM 993 O PRO A 69 -24.441 18.995 15.208 1.00 0.00 O ATOM 994 CB PRO A 69 -26.624 18.728 13.122 1.00 0.00 C ATOM 995 CG PRO A 69 -27.588 17.593 13.137 1.00 0.00 C ATOM 996 CD PRO A 69 -26.926 16.477 12.377 1.00 0.00 C ATOM 0 HA PRO A 69 -24.482 18.621 12.597 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -26.766 19.379 13.985 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -26.753 19.345 12.233 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -27.816 17.288 14.158 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -28.532 17.876 12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -27.205 15.500 12.773 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -27.207 16.486 11.324 1.00 0.00 H new ATOM 1004 N SER A 70 -24.588 16.753 15.075 1.00 0.00 N ATOM 1005 CA SER A 70 -24.100 16.531 16.432 1.00 0.00 C ATOM 1006 C SER A 70 -22.582 16.666 16.492 1.00 0.00 C ATOM 1007 O SER A 70 -21.923 16.854 15.469 1.00 0.00 O ATOM 1008 CB SER A 70 -24.521 15.146 16.927 1.00 0.00 C ATOM 1009 OG SER A 70 -24.567 15.103 18.343 1.00 0.00 O ATOM 0 H SER A 70 -24.812 15.900 14.562 1.00 0.00 H new ATOM 0 HA SER A 70 -24.540 17.290 17.079 1.00 0.00 H new ATOM 0 HB2 SER A 70 -25.500 14.893 16.520 1.00 0.00 H new ATOM 0 HB3 SER A 70 -23.820 14.396 16.560 1.00 0.00 H new ATOM 0 HG SER A 70 -24.840 14.208 18.634 1.00 0.00 H new ATOM 1015 N SER A 71 -22.033 16.569 17.698 1.00 0.00 N ATOM 1016 CA SER A 71 -20.592 16.684 17.894 1.00 0.00 C ATOM 1017 C SER A 71 -20.099 15.661 18.913 1.00 0.00 C ATOM 1018 O SER A 71 -20.859 15.199 19.764 1.00 0.00 O ATOM 1019 CB SER A 71 -20.230 18.097 18.356 1.00 0.00 C ATOM 1020 OG SER A 71 -18.835 18.221 18.569 1.00 0.00 O ATOM 0 H SER A 71 -22.564 16.411 18.555 1.00 0.00 H new ATOM 0 HA SER A 71 -20.103 16.485 16.940 1.00 0.00 H new ATOM 0 HB2 SER A 71 -20.553 18.822 17.608 1.00 0.00 H new ATOM 0 HB3 SER A 71 -20.764 18.330 19.277 1.00 0.00 H new ATOM 0 HG SER A 71 -18.629 19.133 18.862 1.00 0.00 H new ATOM 1026 N GLY A 72 -18.820 15.312 18.821 1.00 0.00 N ATOM 1027 CA GLY A 72 -18.246 14.346 19.740 1.00 0.00 C ATOM 1028 C GLY A 72 -17.360 14.995 20.784 1.00 0.00 C ATOM 1029 O GLY A 72 -16.576 14.319 21.450 1.00 0.00 O ATOM 0 H GLY A 72 -18.170 15.681 18.126 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -19.048 13.801 20.237 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.665 13.615 19.178 1.00 0.00 H new TER 1033 GLY A 72