USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 506 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 41 THR OG1 : rot 180:sc= -0.21 USER MOD Set 1.2: A 44 GLN : amide:sc=-0.000977 X(o=-0.21,f=-0.36) USER MOD Set 2.1: A 29 THR OG1 : rot 74:sc= 0.0577 USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= -0.781 F(o=-1.4,f=-0.72) 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 18:sc= 1.18 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= -0.0822 (180deg=-0.792) USER MOD Single : A 10 THR OG1 : rot 30:sc= 0.112 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -5.43! C(o=-6.3!,f=-5.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -154:sc= -0.0998 (180deg=-0.641) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 73:sc= 0.155 USER MOD Single : A 48 HIS : no HE2:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= -0.0977 (180deg=-1.12) USER MOD Single : A 58 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.48) USER MOD Single : A 61 SER OG : rot -150:sc= 0 USER MOD Single : A 64 SER OG : rot 49:sc= 0.461 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.608 -1.507 -24.537 1.00 0.00 N ATOM 2 CA GLY A 1 -17.534 -0.313 -23.716 1.00 0.00 C ATOM 3 C GLY A 1 -17.013 -0.598 -22.322 1.00 0.00 C ATOM 4 O GLY A 1 -17.743 -0.464 -21.340 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.970 -1.258 -25.480 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.660 -1.924 -24.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.247 -2.196 -24.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.886 0.417 -24.200 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.524 0.137 -23.645 1.00 0.00 H new ATOM 8 N SER A 2 -15.748 -0.995 -22.235 1.00 0.00 N ATOM 9 CA SER A 2 -15.131 -1.306 -20.950 1.00 0.00 C ATOM 10 C SER A 2 -15.133 -0.085 -20.037 1.00 0.00 C ATOM 11 O SER A 2 -15.009 1.050 -20.498 1.00 0.00 O ATOM 12 CB SER A 2 -13.698 -1.801 -21.155 1.00 0.00 C ATOM 13 OG SER A 2 -12.820 -0.723 -21.426 1.00 0.00 O ATOM 0 H SER A 2 -15.130 -1.109 -23.038 1.00 0.00 H new ATOM 0 HA SER A 2 -15.716 -2.094 -20.475 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.363 -2.332 -20.264 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.670 -2.513 -21.980 1.00 0.00 H new ATOM 0 HG SER A 2 -11.910 -1.066 -21.551 1.00 0.00 H new ATOM 19 N SER A 3 -15.275 -0.326 -18.737 1.00 0.00 N ATOM 20 CA SER A 3 -15.298 0.754 -17.758 1.00 0.00 C ATOM 21 C SER A 3 -14.255 1.816 -18.095 1.00 0.00 C ATOM 22 O SER A 3 -14.586 2.979 -18.320 1.00 0.00 O ATOM 23 CB SER A 3 -15.045 0.203 -16.353 1.00 0.00 C ATOM 24 OG SER A 3 -16.004 -0.783 -16.012 1.00 0.00 O ATOM 0 H SER A 3 -15.376 -1.259 -18.338 1.00 0.00 H new ATOM 0 HA SER A 3 -16.285 1.216 -17.787 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.044 -0.226 -16.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.081 1.016 -15.628 1.00 0.00 H new ATOM 0 HG SER A 3 -15.820 -1.121 -15.111 1.00 0.00 H new ATOM 30 N GLY A 4 -12.990 1.405 -18.127 1.00 0.00 N ATOM 31 CA GLY A 4 -11.917 2.331 -18.437 1.00 0.00 C ATOM 32 C GLY A 4 -10.815 2.311 -17.396 1.00 0.00 C ATOM 33 O GLY A 4 -9.758 1.720 -17.612 1.00 0.00 O ATOM 0 H GLY A 4 -12.690 0.447 -17.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.497 2.082 -19.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.323 3.340 -18.513 1.00 0.00 H new ATOM 37 N SER A 5 -11.062 2.961 -16.263 1.00 0.00 N ATOM 38 CA SER A 5 -10.081 3.021 -15.186 1.00 0.00 C ATOM 39 C SER A 5 -10.728 3.489 -13.887 1.00 0.00 C ATOM 40 O SER A 5 -11.715 4.225 -13.901 1.00 0.00 O ATOM 41 CB SER A 5 -8.933 3.959 -15.565 1.00 0.00 C ATOM 42 OG SER A 5 -7.978 3.296 -16.375 1.00 0.00 O ATOM 0 H SER A 5 -11.933 3.454 -16.067 1.00 0.00 H new ATOM 0 HA SER A 5 -9.685 2.017 -15.032 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.327 4.825 -16.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.451 4.333 -14.661 1.00 0.00 H new ATOM 0 HG SER A 5 -8.378 2.488 -16.758 1.00 0.00 H new ATOM 48 N SER A 6 -10.165 3.057 -12.763 1.00 0.00 N ATOM 49 CA SER A 6 -10.688 3.428 -11.454 1.00 0.00 C ATOM 50 C SER A 6 -9.929 4.622 -10.884 1.00 0.00 C ATOM 51 O SER A 6 -8.702 4.610 -10.801 1.00 0.00 O ATOM 52 CB SER A 6 -10.595 2.243 -10.490 1.00 0.00 C ATOM 53 OG SER A 6 -11.302 1.121 -10.990 1.00 0.00 O ATOM 0 H SER A 6 -9.346 2.449 -12.733 1.00 0.00 H new ATOM 0 HA SER A 6 -11.734 3.709 -11.574 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.549 1.978 -10.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.999 2.528 -9.519 1.00 0.00 H new ATOM 0 HG SER A 6 -11.225 0.377 -10.356 1.00 0.00 H new ATOM 59 N GLY A 7 -10.670 5.654 -10.492 1.00 0.00 N ATOM 60 CA GLY A 7 -10.052 6.843 -9.936 1.00 0.00 C ATOM 61 C GLY A 7 -8.728 7.171 -10.596 1.00 0.00 C ATOM 62 O GLY A 7 -8.605 7.115 -11.820 1.00 0.00 O ATOM 0 H GLY A 7 -11.688 5.688 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.730 7.688 -10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.896 6.701 -8.867 1.00 0.00 H new ATOM 66 N LYS A 8 -7.733 7.517 -9.786 1.00 0.00 N ATOM 67 CA LYS A 8 -6.411 7.857 -10.298 1.00 0.00 C ATOM 68 C LYS A 8 -5.627 6.598 -10.656 1.00 0.00 C ATOM 69 O LYS A 8 -6.020 5.487 -10.301 1.00 0.00 O ATOM 70 CB LYS A 8 -5.636 8.676 -9.264 1.00 0.00 C ATOM 71 CG LYS A 8 -6.109 10.116 -9.150 1.00 0.00 C ATOM 72 CD LYS A 8 -5.138 10.959 -8.340 1.00 0.00 C ATOM 73 CE LYS A 8 -5.678 12.362 -8.110 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.639 13.182 -9.353 1.00 0.00 N ATOM 0 H LYS A 8 -7.818 7.569 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.541 8.453 -11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.726 8.195 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.578 8.670 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.220 10.544 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.093 10.141 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.950 10.478 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.182 11.016 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.704 12.301 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.093 12.853 -7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.015 14.131 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.657 13.261 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.218 12.727 -10.088 1.00 0.00 H new ATOM 88 N LYS A 9 -4.514 6.780 -11.360 1.00 0.00 N ATOM 89 CA LYS A 9 -3.672 5.661 -11.764 1.00 0.00 C ATOM 90 C LYS A 9 -2.250 5.832 -11.240 1.00 0.00 C ATOM 91 O LYS A 9 -1.638 6.888 -11.409 1.00 0.00 O ATOM 92 CB LYS A 9 -3.654 5.534 -13.289 1.00 0.00 C ATOM 93 CG LYS A 9 -4.748 4.635 -13.838 1.00 0.00 C ATOM 94 CD LYS A 9 -4.323 3.969 -15.136 1.00 0.00 C ATOM 95 CE LYS A 9 -3.595 2.659 -14.878 1.00 0.00 C ATOM 96 NZ LYS A 9 -2.124 2.855 -14.761 1.00 0.00 N ATOM 0 H LYS A 9 -4.175 7.693 -11.662 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.091 4.751 -11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.756 6.526 -13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.685 5.145 -13.601 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.997 3.872 -13.101 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.651 5.221 -14.007 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.201 3.783 -15.755 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.675 4.643 -15.696 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.975 2.207 -13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.805 1.961 -15.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.631 2.042 -15.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.849 3.724 -15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.863 2.937 -13.757 1.00 0.00 H new ATOM 110 N THR A 10 -1.728 4.788 -10.603 1.00 0.00 N ATOM 111 CA THR A 10 -0.378 4.824 -10.055 1.00 0.00 C ATOM 112 C THR A 10 0.167 3.416 -9.845 1.00 0.00 C ATOM 113 O THR A 10 -0.543 2.531 -9.368 1.00 0.00 O ATOM 114 CB THR A 10 -0.336 5.584 -8.716 1.00 0.00 C ATOM 115 OG1 THR A 10 1.016 5.685 -8.253 1.00 0.00 O ATOM 116 CG2 THR A 10 -1.185 4.881 -7.668 1.00 0.00 C ATOM 0 H THR A 10 -2.220 3.907 -10.454 1.00 0.00 H new ATOM 0 HA THR A 10 0.245 5.347 -10.781 1.00 0.00 H new ATOM 0 HB THR A 10 -0.740 6.583 -8.877 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.624 5.706 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.140 5.436 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.219 4.831 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.806 3.871 -7.510 1.00 0.00 H new ATOM 124 N GLU A 11 1.431 3.216 -10.203 1.00 0.00 N ATOM 125 CA GLU A 11 2.071 1.914 -10.053 1.00 0.00 C ATOM 126 C GLU A 11 3.008 1.904 -8.849 1.00 0.00 C ATOM 127 O GLU A 11 3.858 2.783 -8.703 1.00 0.00 O ATOM 128 CB GLU A 11 2.847 1.553 -11.321 1.00 0.00 C ATOM 129 CG GLU A 11 1.977 1.465 -12.563 1.00 0.00 C ATOM 130 CD GLU A 11 2.790 1.399 -13.842 1.00 0.00 C ATOM 131 OE1 GLU A 11 3.385 0.336 -14.113 1.00 0.00 O ATOM 132 OE2 GLU A 11 2.831 2.413 -14.571 1.00 0.00 O ATOM 0 H GLU A 11 2.032 3.939 -10.599 1.00 0.00 H new ATOM 0 HA GLU A 11 1.291 1.171 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.625 2.298 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.348 0.597 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.342 0.582 -12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.316 2.331 -12.601 1.00 0.00 H new ATOM 139 N TRP A 12 2.846 0.905 -7.989 1.00 0.00 N ATOM 140 CA TRP A 12 3.677 0.781 -6.797 1.00 0.00 C ATOM 141 C TRP A 12 4.893 -0.098 -7.070 1.00 0.00 C ATOM 142 O TRP A 12 4.853 -0.979 -7.930 1.00 0.00 O ATOM 143 CB TRP A 12 2.862 0.200 -5.640 1.00 0.00 C ATOM 144 CG TRP A 12 1.794 1.125 -5.143 1.00 0.00 C ATOM 145 CD1 TRP A 12 0.676 1.525 -5.818 1.00 0.00 C ATOM 146 CD2 TRP A 12 1.744 1.769 -3.865 1.00 0.00 C ATOM 147 NE1 TRP A 12 -0.066 2.377 -5.037 1.00 0.00 N ATOM 148 CE2 TRP A 12 0.568 2.543 -3.833 1.00 0.00 C ATOM 149 CE3 TRP A 12 2.578 1.766 -2.744 1.00 0.00 C ATOM 150 CZ2 TRP A 12 0.208 3.305 -2.725 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.220 2.522 -1.645 1.00 0.00 C ATOM 152 CH2 TRP A 12 1.043 3.283 -1.641 1.00 0.00 C ATOM 0 H TRP A 12 2.147 0.169 -8.095 1.00 0.00 H new ATOM 0 HA TRP A 12 4.026 1.777 -6.523 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.402 -0.734 -5.962 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.534 -0.043 -4.817 1.00 0.00 H new ATOM 0 HD1 TRP A 12 0.414 1.217 -6.819 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.946 2.815 -5.309 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.487 1.183 -2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.698 3.893 -2.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.858 2.527 -0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.790 3.863 -0.766 1.00 0.00 H new ATOM 163 N SER A 13 5.972 0.146 -6.334 1.00 0.00 N ATOM 164 CA SER A 13 7.201 -0.622 -6.500 1.00 0.00 C ATOM 165 C SER A 13 7.512 -1.428 -5.243 1.00 0.00 C ATOM 166 O SER A 13 7.189 -1.013 -4.130 1.00 0.00 O ATOM 167 CB SER A 13 8.370 0.311 -6.824 1.00 0.00 C ATOM 168 OG SER A 13 9.414 -0.389 -7.479 1.00 0.00 O ATOM 0 H SER A 13 6.021 0.870 -5.617 1.00 0.00 H new ATOM 0 HA SER A 13 7.058 -1.315 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.023 1.128 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.748 0.758 -5.905 1.00 0.00 H new ATOM 0 HG SER A 13 10.148 0.229 -7.677 1.00 0.00 H new ATOM 174 N ARG A 14 8.140 -2.584 -5.430 1.00 0.00 N ATOM 175 CA ARG A 14 8.494 -3.451 -4.312 1.00 0.00 C ATOM 176 C ARG A 14 8.836 -2.628 -3.073 1.00 0.00 C ATOM 177 O ARG A 14 8.402 -2.946 -1.966 1.00 0.00 O ATOM 178 CB ARG A 14 9.679 -4.344 -4.686 1.00 0.00 C ATOM 179 CG ARG A 14 9.997 -5.402 -3.643 1.00 0.00 C ATOM 180 CD ARG A 14 9.174 -6.662 -3.858 1.00 0.00 C ATOM 181 NE ARG A 14 7.748 -6.427 -3.649 1.00 0.00 N ATOM 182 CZ ARG A 14 6.792 -7.170 -4.196 1.00 0.00 C ATOM 183 NH1 ARG A 14 7.109 -8.191 -4.981 1.00 0.00 N ATOM 184 NH2 ARG A 14 5.517 -6.894 -3.958 1.00 0.00 N ATOM 0 H ARG A 14 8.414 -2.942 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 14 7.632 -4.078 -4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.468 -4.835 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.560 -3.720 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.058 -5.648 -3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.801 -5.004 -2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.336 -7.032 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.517 -7.440 -3.176 1.00 0.00 H new ATOM 0 HE ARG A 14 7.471 -5.649 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.089 -8.407 -5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.373 -8.760 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.269 -6.110 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.784 -7.465 -4.379 1.00 0.00 H new ATOM 198 N GLU A 15 9.616 -1.569 -3.268 1.00 0.00 N ATOM 199 CA GLU A 15 10.016 -0.702 -2.166 1.00 0.00 C ATOM 200 C GLU A 15 8.803 -0.015 -1.546 1.00 0.00 C ATOM 201 O GLU A 15 8.512 -0.195 -0.364 1.00 0.00 O ATOM 202 CB GLU A 15 11.018 0.348 -2.652 1.00 0.00 C ATOM 203 CG GLU A 15 12.445 -0.166 -2.736 1.00 0.00 C ATOM 204 CD GLU A 15 12.929 -0.763 -1.429 1.00 0.00 C ATOM 205 OE1 GLU A 15 12.674 -0.153 -0.369 1.00 0.00 O ATOM 206 OE2 GLU A 15 13.561 -1.839 -1.465 1.00 0.00 O ATOM 0 H GLU A 15 9.983 -1.291 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 15 10.490 -1.321 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.710 0.704 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.988 1.205 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.510 -0.919 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.105 0.652 -3.024 1.00 0.00 H new ATOM 213 N GLU A 16 8.100 0.773 -2.354 1.00 0.00 N ATOM 214 CA GLU A 16 6.919 1.488 -1.884 1.00 0.00 C ATOM 215 C GLU A 16 6.040 0.582 -1.026 1.00 0.00 C ATOM 216 O GLU A 16 5.464 1.021 -0.032 1.00 0.00 O ATOM 217 CB GLU A 16 6.115 2.024 -3.069 1.00 0.00 C ATOM 218 CG GLU A 16 6.754 3.226 -3.745 1.00 0.00 C ATOM 219 CD GLU A 16 7.519 4.103 -2.773 1.00 0.00 C ATOM 220 OE1 GLU A 16 8.623 3.701 -2.352 1.00 0.00 O ATOM 221 OE2 GLU A 16 7.012 5.193 -2.434 1.00 0.00 O ATOM 0 H GLU A 16 8.327 0.932 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 16 7.253 2.326 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.992 1.228 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.117 2.299 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.430 2.881 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.980 3.819 -4.232 1.00 0.00 H new ATOM 228 N GLU A 17 5.942 -0.684 -1.421 1.00 0.00 N ATOM 229 CA GLU A 17 5.132 -1.651 -0.690 1.00 0.00 C ATOM 230 C GLU A 17 5.725 -1.926 0.688 1.00 0.00 C ATOM 231 O GLU A 17 5.096 -1.657 1.711 1.00 0.00 O ATOM 232 CB GLU A 17 5.020 -2.957 -1.480 1.00 0.00 C ATOM 233 CG GLU A 17 4.221 -2.824 -2.765 1.00 0.00 C ATOM 234 CD GLU A 17 4.186 -4.112 -3.566 1.00 0.00 C ATOM 235 OE1 GLU A 17 3.370 -4.996 -3.234 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.977 -4.234 -4.525 1.00 0.00 O ATOM 0 H GLU A 17 6.413 -1.063 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 17 4.136 -1.228 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.022 -3.314 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.555 -3.715 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.202 -2.522 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.653 -2.032 -3.377 1.00 0.00 H new ATOM 243 N GLU A 18 6.940 -2.465 0.706 1.00 0.00 N ATOM 244 CA GLU A 18 7.618 -2.779 1.959 1.00 0.00 C ATOM 245 C GLU A 18 7.330 -1.714 3.014 1.00 0.00 C ATOM 246 O GLU A 18 6.812 -2.014 4.090 1.00 0.00 O ATOM 247 CB GLU A 18 9.127 -2.894 1.733 1.00 0.00 C ATOM 248 CG GLU A 18 9.516 -4.008 0.775 1.00 0.00 C ATOM 249 CD GLU A 18 10.948 -3.888 0.291 1.00 0.00 C ATOM 250 OE1 GLU A 18 11.383 -2.754 0.001 1.00 0.00 O ATOM 251 OE2 GLU A 18 11.633 -4.928 0.203 1.00 0.00 O ATOM 0 H GLU A 18 7.475 -2.693 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 18 7.238 -3.735 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.501 -1.946 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.618 -3.063 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.383 -4.970 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.844 -3.995 -0.083 1.00 0.00 H new ATOM 258 N LYS A 19 7.671 -0.470 2.698 1.00 0.00 N ATOM 259 CA LYS A 19 7.450 0.641 3.617 1.00 0.00 C ATOM 260 C LYS A 19 5.973 0.765 3.975 1.00 0.00 C ATOM 261 O LYS A 19 5.624 1.108 5.105 1.00 0.00 O ATOM 262 CB LYS A 19 7.947 1.949 2.997 1.00 0.00 C ATOM 263 CG LYS A 19 6.871 2.714 2.246 1.00 0.00 C ATOM 264 CD LYS A 19 7.469 3.614 1.178 1.00 0.00 C ATOM 265 CE LYS A 19 8.170 4.817 1.791 1.00 0.00 C ATOM 266 NZ LYS A 19 8.875 5.631 0.763 1.00 0.00 N ATOM 0 H LYS A 19 8.102 -0.205 1.812 1.00 0.00 H new ATOM 0 HA LYS A 19 8.012 0.442 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.350 2.585 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.768 1.729 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.178 2.010 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.294 3.315 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.179 3.045 0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.682 3.954 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.439 5.439 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.886 4.478 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.340 6.441 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.590 5.045 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.188 5.976 0.063 1.00 0.00 H new ATOM 280 N LEU A 20 5.108 0.483 3.006 1.00 0.00 N ATOM 281 CA LEU A 20 3.667 0.562 3.220 1.00 0.00 C ATOM 282 C LEU A 20 3.224 -0.411 4.309 1.00 0.00 C ATOM 283 O LEU A 20 2.567 -0.021 5.274 1.00 0.00 O ATOM 284 CB LEU A 20 2.922 0.262 1.918 1.00 0.00 C ATOM 285 CG LEU A 20 1.409 0.484 1.945 1.00 0.00 C ATOM 286 CD1 LEU A 20 1.087 1.915 2.345 1.00 0.00 C ATOM 287 CD2 LEU A 20 0.798 0.157 0.590 1.00 0.00 C ATOM 0 H LEU A 20 5.380 0.198 2.065 1.00 0.00 H new ATOM 0 HA LEU A 20 3.427 1.575 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.346 0.882 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.112 -0.776 1.645 1.00 0.00 H new ATOM 0 HG LEU A 20 0.976 -0.186 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.006 2.054 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.491 2.115 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.532 2.603 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.279 0.321 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.237 0.801 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.998 -0.886 0.343 1.00 0.00 H new ATOM 299 N LEU A 21 3.591 -1.678 4.148 1.00 0.00 N ATOM 300 CA LEU A 21 3.234 -2.706 5.118 1.00 0.00 C ATOM 301 C LEU A 21 3.719 -2.330 6.514 1.00 0.00 C ATOM 302 O LEU A 21 3.059 -2.621 7.512 1.00 0.00 O ATOM 303 CB LEU A 21 3.828 -4.054 4.705 1.00 0.00 C ATOM 304 CG LEU A 21 3.203 -4.715 3.476 1.00 0.00 C ATOM 305 CD1 LEU A 21 2.072 -5.645 3.887 1.00 0.00 C ATOM 306 CD2 LEU A 21 2.700 -3.660 2.501 1.00 0.00 C ATOM 0 H LEU A 21 4.135 -2.017 3.355 1.00 0.00 H new ATOM 0 HA LEU A 21 2.147 -2.787 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.893 -3.917 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.739 -4.741 5.547 1.00 0.00 H new ATOM 0 HG LEU A 21 3.970 -5.307 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.639 -6.106 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.461 -6.421 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.304 -5.075 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.258 -4.148 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.948 -3.041 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.533 -3.034 2.181 1.00 0.00 H new ATOM 318 N HIS A 22 4.877 -1.681 6.577 1.00 0.00 N ATOM 319 CA HIS A 22 5.451 -1.262 7.852 1.00 0.00 C ATOM 320 C HIS A 22 4.629 -0.137 8.474 1.00 0.00 C ATOM 321 O HIS A 22 4.065 -0.292 9.558 1.00 0.00 O ATOM 322 CB HIS A 22 6.897 -0.806 7.659 1.00 0.00 C ATOM 323 CG HIS A 22 7.624 -0.560 8.945 1.00 0.00 C ATOM 324 ND1 HIS A 22 8.003 0.595 9.541 1.00 0.00 N flip ATOM 325 CD2 HIS A 22 8.048 -1.575 9.776 1.00 0.00 C flip ATOM 326 CE1 HIS A 22 8.642 0.260 10.709 1.00 0.00 C flip ATOM 327 NE2 HIS A 22 8.655 -1.056 10.828 1.00 0.00 N flip ATOM 0 H HIS A 22 5.437 -1.434 5.761 1.00 0.00 H new ATOM 0 HA HIS A 22 5.435 -2.117 8.528 1.00 0.00 H new ATOM 0 HB2 HIS A 22 7.434 -1.562 7.086 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.905 0.109 7.066 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.906 -2.630 9.595 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.065 0.958 11.416 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.064 -1.581 11.601 1.00 0.00 H new ATOM 336 N LEU A 23 4.565 0.995 7.781 1.00 0.00 N ATOM 337 CA LEU A 23 3.812 2.147 8.266 1.00 0.00 C ATOM 338 C LEU A 23 2.347 1.786 8.487 1.00 0.00 C ATOM 339 O LEU A 23 1.806 1.983 9.575 1.00 0.00 O ATOM 340 CB LEU A 23 3.919 3.305 7.273 1.00 0.00 C ATOM 341 CG LEU A 23 5.102 4.253 7.472 1.00 0.00 C ATOM 342 CD1 LEU A 23 5.528 4.862 6.145 1.00 0.00 C ATOM 343 CD2 LEU A 23 4.750 5.343 8.473 1.00 0.00 C ATOM 0 H LEU A 23 5.025 1.140 6.882 1.00 0.00 H new ATOM 0 HA LEU A 23 4.239 2.454 9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.977 2.890 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.999 3.888 7.325 1.00 0.00 H new ATOM 0 HG LEU A 23 5.939 3.679 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.371 5.534 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.823 4.068 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.696 5.421 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.604 6.008 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.898 5.914 8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.496 4.889 9.431 1.00 0.00 H new ATOM 355 N ALA A 24 1.710 1.253 7.449 1.00 0.00 N ATOM 356 CA ALA A 24 0.309 0.860 7.531 1.00 0.00 C ATOM 357 C ALA A 24 0.019 0.132 8.839 1.00 0.00 C ATOM 358 O ALA A 24 -0.964 0.424 9.520 1.00 0.00 O ATOM 359 CB ALA A 24 -0.065 -0.014 6.344 1.00 0.00 C ATOM 0 H ALA A 24 2.143 1.084 6.541 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.298 1.765 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.114 -0.300 6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.095 0.540 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.556 -0.910 6.342 1.00 0.00 H new ATOM 365 N LYS A 25 0.881 -0.818 9.185 1.00 0.00 N ATOM 366 CA LYS A 25 0.718 -1.589 10.412 1.00 0.00 C ATOM 367 C LYS A 25 0.986 -0.723 11.639 1.00 0.00 C ATOM 368 O LYS A 25 0.252 -0.783 12.626 1.00 0.00 O ATOM 369 CB LYS A 25 1.661 -2.795 10.410 1.00 0.00 C ATOM 370 CG LYS A 25 1.780 -3.476 11.762 1.00 0.00 C ATOM 371 CD LYS A 25 2.903 -2.877 12.592 1.00 0.00 C ATOM 372 CE LYS A 25 4.227 -3.578 12.327 1.00 0.00 C ATOM 373 NZ LYS A 25 5.345 -2.957 13.090 1.00 0.00 N ATOM 0 H LYS A 25 1.700 -1.073 8.633 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.313 -1.941 10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.308 -3.520 9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.651 -2.471 10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.838 -3.382 12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.961 -4.541 11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.000 -1.816 12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.655 -2.953 13.651 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.142 -4.630 12.599 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.450 -3.541 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.230 -3.463 12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.443 -1.960 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.144 -3.014 14.109 1.00 0.00 H new ATOM 387 N LEU A 26 2.040 0.083 11.569 1.00 0.00 N ATOM 388 CA LEU A 26 2.404 0.963 12.674 1.00 0.00 C ATOM 389 C LEU A 26 1.237 1.867 13.057 1.00 0.00 C ATOM 390 O LEU A 26 0.806 1.886 14.210 1.00 0.00 O ATOM 391 CB LEU A 26 3.619 1.813 12.296 1.00 0.00 C ATOM 392 CG LEU A 26 4.946 1.064 12.163 1.00 0.00 C ATOM 393 CD1 LEU A 26 5.847 1.752 11.149 1.00 0.00 C ATOM 394 CD2 LEU A 26 5.639 0.964 13.514 1.00 0.00 C ATOM 0 H LEU A 26 2.657 0.145 10.759 1.00 0.00 H new ATOM 0 HA LEU A 26 2.656 0.341 13.533 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.409 2.311 11.349 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.739 2.594 13.047 1.00 0.00 H new ATOM 0 HG LEU A 26 4.738 0.055 11.808 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.787 1.206 11.067 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.353 1.772 10.178 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.048 2.773 11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.581 0.428 13.401 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.835 1.965 13.898 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.998 0.427 14.213 1.00 0.00 H new ATOM 406 N MET A 27 0.728 2.613 12.082 1.00 0.00 N ATOM 407 CA MET A 27 -0.392 3.517 12.317 1.00 0.00 C ATOM 408 C MET A 27 -1.431 3.395 11.207 1.00 0.00 C ATOM 409 O MET A 27 -1.383 4.099 10.198 1.00 0.00 O ATOM 410 CB MET A 27 0.102 4.962 12.412 1.00 0.00 C ATOM 411 CG MET A 27 1.414 5.107 13.166 1.00 0.00 C ATOM 412 SD MET A 27 2.150 6.742 12.970 1.00 0.00 S ATOM 413 CE MET A 27 2.636 6.690 11.247 1.00 0.00 C ATOM 0 H MET A 27 1.073 2.609 11.122 1.00 0.00 H new ATOM 0 HA MET A 27 -0.860 3.238 13.261 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.225 5.362 11.406 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.660 5.566 12.905 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.243 4.914 14.225 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.117 4.352 12.814 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.472 7.370 11.084 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.937 5.676 10.984 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.795 6.992 10.623 1.00 0.00 H new ATOM 423 N PRO A 28 -2.394 2.480 11.395 1.00 0.00 N ATOM 424 CA PRO A 28 -3.463 2.244 10.420 1.00 0.00 C ATOM 425 C PRO A 28 -4.446 3.407 10.346 1.00 0.00 C ATOM 426 O PRO A 28 -4.860 3.817 9.260 1.00 0.00 O ATOM 427 CB PRO A 28 -4.159 0.989 10.953 1.00 0.00 C ATOM 428 CG PRO A 28 -3.877 0.992 12.416 1.00 0.00 C ATOM 429 CD PRO A 28 -2.514 1.605 12.574 1.00 0.00 C ATOM 0 HA PRO A 28 -3.074 2.135 9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.231 1.017 10.756 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.771 0.089 10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.628 1.567 12.957 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.899 -0.020 12.820 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.433 2.169 13.503 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.732 0.846 12.592 1.00 0.00 H new ATOM 437 N THR A 29 -4.818 3.937 11.507 1.00 0.00 N ATOM 438 CA THR A 29 -5.753 5.053 11.573 1.00 0.00 C ATOM 439 C THR A 29 -5.027 6.388 11.455 1.00 0.00 C ATOM 440 O THR A 29 -5.531 7.420 11.895 1.00 0.00 O ATOM 441 CB THR A 29 -6.558 5.034 12.887 1.00 0.00 C ATOM 442 OG1 THR A 29 -5.667 5.081 14.007 1.00 0.00 O ATOM 443 CG2 THR A 29 -7.424 3.787 12.973 1.00 0.00 C ATOM 0 H THR A 29 -4.486 3.611 12.415 1.00 0.00 H new ATOM 0 HA THR A 29 -6.438 4.940 10.733 1.00 0.00 H new ATOM 0 HB THR A 29 -7.208 5.909 12.903 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.305 5.987 14.099 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.983 3.796 13.909 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.120 3.769 12.135 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.790 2.901 12.937 1.00 0.00 H new ATOM 451 N GLN A 30 -3.840 6.359 10.857 1.00 0.00 N ATOM 452 CA GLN A 30 -3.044 7.568 10.681 1.00 0.00 C ATOM 453 C GLN A 30 -2.571 7.703 9.237 1.00 0.00 C ATOM 454 O GLN A 30 -1.444 8.126 8.981 1.00 0.00 O ATOM 455 CB GLN A 30 -1.841 7.554 11.625 1.00 0.00 C ATOM 456 CG GLN A 30 -2.222 7.491 13.095 1.00 0.00 C ATOM 457 CD GLN A 30 -3.294 8.497 13.464 1.00 0.00 C ATOM 458 OE1 GLN A 30 -4.326 8.035 14.162 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 -3.197 9.677 13.126 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.409 5.512 10.487 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.674 8.425 10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.211 6.698 11.385 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.243 8.449 11.451 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.574 6.487 13.332 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.336 7.670 13.704 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.387 9.989 12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.927 10.342 13.382 1.00 0.00 H new ATOM 468 N TRP A 31 -3.439 7.341 8.299 1.00 0.00 N ATOM 469 CA TRP A 31 -3.109 7.422 6.881 1.00 0.00 C ATOM 470 C TRP A 31 -2.648 8.826 6.508 1.00 0.00 C ATOM 471 O TRP A 31 -1.787 8.998 5.645 1.00 0.00 O ATOM 472 CB TRP A 31 -4.318 7.027 6.032 1.00 0.00 C ATOM 473 CG TRP A 31 -4.862 5.671 6.367 1.00 0.00 C ATOM 474 CD1 TRP A 31 -6.026 5.395 7.026 1.00 0.00 C ATOM 475 CD2 TRP A 31 -4.263 4.407 6.061 1.00 0.00 C ATOM 476 NE1 TRP A 31 -6.186 4.036 7.149 1.00 0.00 N ATOM 477 CE2 TRP A 31 -5.118 3.408 6.564 1.00 0.00 C ATOM 478 CE3 TRP A 31 -3.088 4.023 5.410 1.00 0.00 C ATOM 479 CZ2 TRP A 31 -4.834 2.051 6.436 1.00 0.00 C ATOM 480 CZ3 TRP A 31 -2.806 2.676 5.284 1.00 0.00 C ATOM 481 CH2 TRP A 31 -3.676 1.703 5.794 1.00 0.00 C ATOM 0 H TRP A 31 -4.376 6.989 8.495 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.292 6.728 6.684 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.105 7.769 6.166 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.036 7.047 4.979 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.719 6.136 7.396 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.972 3.570 7.602 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.412 4.766 5.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.503 1.300 6.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.900 2.368 4.784 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.428 0.658 5.678 1.00 0.00 H new ATOM 492 N ARG A 32 -3.225 9.828 7.164 1.00 0.00 N ATOM 493 CA ARG A 32 -2.873 11.218 6.900 1.00 0.00 C ATOM 494 C ARG A 32 -1.392 11.465 7.175 1.00 0.00 C ATOM 495 O ARG A 32 -0.813 12.438 6.691 1.00 0.00 O ATOM 496 CB ARG A 32 -3.725 12.154 7.758 1.00 0.00 C ATOM 497 CG ARG A 32 -5.102 12.430 7.175 1.00 0.00 C ATOM 498 CD ARG A 32 -6.118 11.394 7.632 1.00 0.00 C ATOM 499 NE ARG A 32 -7.489 11.879 7.503 1.00 0.00 N ATOM 500 CZ ARG A 32 -8.085 12.097 6.336 1.00 0.00 C ATOM 501 NH1 ARG A 32 -7.434 11.873 5.203 1.00 0.00 N ATOM 502 NH2 ARG A 32 -9.336 12.538 6.300 1.00 0.00 N ATOM 0 H ARG A 32 -3.938 9.703 7.882 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.069 11.423 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.841 11.719 8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.197 13.099 7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.433 13.424 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.044 12.429 6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.998 10.484 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.923 11.129 8.671 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.018 12.060 8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.473 11.532 5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.894 12.041 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.841 12.710 7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.792 12.705 5.403 1.00 0.00 H new ATOM 516 N THR A 33 -0.785 10.578 7.957 1.00 0.00 N ATOM 517 CA THR A 33 0.627 10.700 8.298 1.00 0.00 C ATOM 518 C THR A 33 1.489 9.823 7.397 1.00 0.00 C ATOM 519 O THR A 33 2.582 10.219 6.992 1.00 0.00 O ATOM 520 CB THR A 33 0.885 10.317 9.767 1.00 0.00 C ATOM 521 OG1 THR A 33 0.223 11.241 10.638 1.00 0.00 O ATOM 522 CG2 THR A 33 2.376 10.306 10.070 1.00 0.00 C ATOM 0 H THR A 33 -1.249 9.767 8.366 1.00 0.00 H new ATOM 0 HA THR A 33 0.898 11.745 8.149 1.00 0.00 H new ATOM 0 HB THR A 33 0.489 9.315 9.933 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.391 10.989 11.570 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.533 10.033 11.113 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.873 9.580 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.792 11.297 9.888 1.00 0.00 H new ATOM 530 N ILE A 34 0.989 8.632 7.086 1.00 0.00 N ATOM 531 CA ILE A 34 1.714 7.700 6.231 1.00 0.00 C ATOM 532 C ILE A 34 1.705 8.165 4.779 1.00 0.00 C ATOM 533 O ILE A 34 2.541 7.748 3.978 1.00 0.00 O ATOM 534 CB ILE A 34 1.114 6.283 6.308 1.00 0.00 C ATOM 535 CG1 ILE A 34 1.200 5.746 7.738 1.00 0.00 C ATOM 536 CG2 ILE A 34 1.832 5.352 5.342 1.00 0.00 C ATOM 537 CD1 ILE A 34 0.489 4.425 7.930 1.00 0.00 C ATOM 0 H ILE A 34 0.085 8.290 7.413 1.00 0.00 H new ATOM 0 HA ILE A 34 2.741 7.672 6.594 1.00 0.00 H new ATOM 0 HB ILE A 34 0.063 6.332 6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.249 5.628 8.011 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.774 6.482 8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.398 4.354 5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.724 5.729 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.890 5.305 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.591 4.104 8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.567 4.542 7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.930 3.675 7.273 1.00 0.00 H new ATOM 549 N ALA A 35 0.756 9.035 4.448 1.00 0.00 N ATOM 550 CA ALA A 35 0.641 9.561 3.094 1.00 0.00 C ATOM 551 C ALA A 35 1.857 10.404 2.727 1.00 0.00 C ATOM 552 O ALA A 35 2.560 10.133 1.753 1.00 0.00 O ATOM 553 CB ALA A 35 -0.634 10.380 2.952 1.00 0.00 C ATOM 0 H ALA A 35 0.056 9.390 5.099 1.00 0.00 H new ATOM 0 HA ALA A 35 0.596 8.717 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.707 10.767 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.497 9.749 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.612 11.212 3.656 1.00 0.00 H new ATOM 559 N PRO A 36 2.114 11.452 3.524 1.00 0.00 N ATOM 560 CA PRO A 36 3.246 12.357 3.302 1.00 0.00 C ATOM 561 C PRO A 36 4.586 11.688 3.587 1.00 0.00 C ATOM 562 O PRO A 36 5.639 12.197 3.200 1.00 0.00 O ATOM 563 CB PRO A 36 2.993 13.492 4.297 1.00 0.00 C ATOM 564 CG PRO A 36 2.171 12.875 5.376 1.00 0.00 C ATOM 565 CD PRO A 36 1.318 11.835 4.702 1.00 0.00 C ATOM 0 HA PRO A 36 3.307 12.687 2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.929 13.889 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.468 14.322 3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.804 12.425 6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.554 13.623 5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.132 10.983 5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.346 12.236 4.417 1.00 0.00 H new ATOM 573 N ILE A 37 4.540 10.546 4.265 1.00 0.00 N ATOM 574 CA ILE A 37 5.752 9.808 4.599 1.00 0.00 C ATOM 575 C ILE A 37 6.161 8.879 3.461 1.00 0.00 C ATOM 576 O ILE A 37 7.330 8.513 3.335 1.00 0.00 O ATOM 577 CB ILE A 37 5.569 8.977 5.883 1.00 0.00 C ATOM 578 CG1 ILE A 37 5.408 9.899 7.094 1.00 0.00 C ATOM 579 CG2 ILE A 37 6.749 8.037 6.079 1.00 0.00 C ATOM 580 CD1 ILE A 37 4.850 9.202 8.314 1.00 0.00 C ATOM 0 H ILE A 37 3.677 10.112 4.594 1.00 0.00 H new ATOM 0 HA ILE A 37 6.536 10.547 4.762 1.00 0.00 H new ATOM 0 HB ILE A 37 4.665 8.377 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.377 10.330 7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.751 10.726 6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.605 7.457 6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.822 7.362 5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.668 8.618 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.763 9.916 9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.866 8.794 8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.518 8.392 8.608 1.00 0.00 H new ATOM 592 N ILE A 38 5.192 8.504 2.633 1.00 0.00 N ATOM 593 CA ILE A 38 5.453 7.621 1.503 1.00 0.00 C ATOM 594 C ILE A 38 5.510 8.403 0.195 1.00 0.00 C ATOM 595 O ILE A 38 6.346 8.133 -0.666 1.00 0.00 O ATOM 596 CB ILE A 38 4.378 6.524 1.386 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.460 5.569 2.578 1.00 0.00 C ATOM 598 CG2 ILE A 38 4.538 5.763 0.078 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.678 4.289 2.383 1.00 0.00 C ATOM 0 H ILE A 38 4.219 8.798 2.723 1.00 0.00 H new ATOM 0 HA ILE A 38 6.420 7.153 1.686 1.00 0.00 H new ATOM 0 HB ILE A 38 3.396 6.997 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.505 5.322 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.090 6.079 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.771 4.991 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.434 6.453 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.524 5.299 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.782 3.661 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.625 4.526 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.062 3.757 1.513 1.00 0.00 H new ATOM 611 N GLY A 39 4.615 9.376 0.055 1.00 0.00 N ATOM 612 CA GLY A 39 4.581 10.185 -1.150 1.00 0.00 C ATOM 613 C GLY A 39 3.196 10.253 -1.763 1.00 0.00 C ATOM 614 O GLY A 39 2.867 11.211 -2.464 1.00 0.00 O ATOM 0 H GLY A 39 3.913 9.619 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.922 11.194 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.278 9.774 -1.880 1.00 0.00 H new ATOM 618 N ARG A 40 2.384 9.235 -1.502 1.00 0.00 N ATOM 619 CA ARG A 40 1.028 9.182 -2.036 1.00 0.00 C ATOM 620 C ARG A 40 0.016 9.658 -0.997 1.00 0.00 C ATOM 621 O ARG A 40 0.378 9.992 0.131 1.00 0.00 O ATOM 622 CB ARG A 40 0.688 7.759 -2.481 1.00 0.00 C ATOM 623 CG ARG A 40 1.274 7.387 -3.833 1.00 0.00 C ATOM 624 CD ARG A 40 1.444 5.883 -3.972 1.00 0.00 C ATOM 625 NE ARG A 40 1.836 5.499 -5.326 1.00 0.00 N ATOM 626 CZ ARG A 40 3.059 5.672 -5.814 1.00 0.00 C ATOM 627 NH1 ARG A 40 4.004 6.219 -5.063 1.00 0.00 N ATOM 628 NH2 ARG A 40 3.338 5.296 -7.056 1.00 0.00 N ATOM 0 H ARG A 40 2.641 8.435 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 40 0.977 9.847 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.052 7.056 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.396 7.649 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.624 7.755 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.240 7.877 -3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.197 5.536 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.509 5.387 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 40 1.132 5.075 -5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.793 6.508 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.943 6.351 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.613 4.874 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.277 5.429 -7.430 1.00 0.00 H new ATOM 642 N THR A 41 -1.255 9.687 -1.387 1.00 0.00 N ATOM 643 CA THR A 41 -2.319 10.123 -0.492 1.00 0.00 C ATOM 644 C THR A 41 -2.770 8.987 0.420 1.00 0.00 C ATOM 645 O THR A 41 -2.566 7.813 0.113 1.00 0.00 O ATOM 646 CB THR A 41 -3.535 10.647 -1.279 1.00 0.00 C ATOM 647 OG1 THR A 41 -3.964 9.667 -2.229 1.00 0.00 O ATOM 648 CG2 THR A 41 -3.196 11.944 -1.998 1.00 0.00 C ATOM 0 H THR A 41 -1.572 9.414 -2.317 1.00 0.00 H new ATOM 0 HA THR A 41 -1.911 10.932 0.114 1.00 0.00 H new ATOM 0 HB THR A 41 -4.341 10.842 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.738 10.008 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.070 12.295 -2.547 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.899 12.698 -1.269 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.376 11.770 -2.695 1.00 0.00 H new ATOM 656 N ALA A 42 -3.384 9.345 1.543 1.00 0.00 N ATOM 657 CA ALA A 42 -3.866 8.356 2.499 1.00 0.00 C ATOM 658 C ALA A 42 -4.775 7.336 1.821 1.00 0.00 C ATOM 659 O ALA A 42 -4.592 6.129 1.976 1.00 0.00 O ATOM 660 CB ALA A 42 -4.598 9.040 3.643 1.00 0.00 C ATOM 0 H ALA A 42 -3.559 10.313 1.813 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.003 7.825 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.952 8.289 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.919 9.725 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.448 9.597 3.249 1.00 0.00 H new ATOM 666 N ALA A 43 -5.754 7.829 1.071 1.00 0.00 N ATOM 667 CA ALA A 43 -6.691 6.960 0.369 1.00 0.00 C ATOM 668 C ALA A 43 -5.954 5.964 -0.520 1.00 0.00 C ATOM 669 O ALA A 43 -6.275 4.776 -0.535 1.00 0.00 O ATOM 670 CB ALA A 43 -7.663 7.789 -0.456 1.00 0.00 C ATOM 0 H ALA A 43 -5.919 8.826 0.933 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.253 6.396 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.357 7.127 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.221 8.456 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.109 8.379 -1.187 1.00 0.00 H new ATOM 676 N GLN A 44 -4.967 6.457 -1.261 1.00 0.00 N ATOM 677 CA GLN A 44 -4.187 5.609 -2.155 1.00 0.00 C ATOM 678 C GLN A 44 -3.416 4.554 -1.369 1.00 0.00 C ATOM 679 O GLN A 44 -3.525 3.358 -1.644 1.00 0.00 O ATOM 680 CB GLN A 44 -3.217 6.458 -2.979 1.00 0.00 C ATOM 681 CG GLN A 44 -3.886 7.217 -4.113 1.00 0.00 C ATOM 682 CD GLN A 44 -2.901 8.029 -4.932 1.00 0.00 C ATOM 683 OE1 GLN A 44 -1.935 7.491 -5.474 1.00 0.00 O ATOM 684 NE2 GLN A 44 -3.142 9.331 -5.028 1.00 0.00 N ATOM 0 H GLN A 44 -4.689 7.438 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.878 5.101 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.720 7.170 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.443 5.812 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.399 6.510 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.646 7.882 -3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.955 9.735 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.514 9.927 -5.567 1.00 0.00 H new ATOM 693 N CYS A 45 -2.638 5.003 -0.391 1.00 0.00 N ATOM 694 CA CYS A 45 -1.847 4.097 0.435 1.00 0.00 C ATOM 695 C CYS A 45 -2.723 3.000 1.030 1.00 0.00 C ATOM 696 O CYS A 45 -2.363 1.822 1.008 1.00 0.00 O ATOM 697 CB CYS A 45 -1.149 4.872 1.554 1.00 0.00 C ATOM 698 SG CYS A 45 0.077 6.066 0.971 1.00 0.00 S ATOM 0 H CYS A 45 -2.538 5.989 -0.150 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.093 3.631 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.902 5.398 2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.661 4.163 2.223 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.529 7.088 0.444 1.00 0.00 H new ATOM 704 N LEU A 46 -3.875 3.394 1.564 1.00 0.00 N ATOM 705 CA LEU A 46 -4.803 2.444 2.167 1.00 0.00 C ATOM 706 C LEU A 46 -5.329 1.461 1.126 1.00 0.00 C ATOM 707 O LEU A 46 -5.316 0.249 1.341 1.00 0.00 O ATOM 708 CB LEU A 46 -5.970 3.186 2.821 1.00 0.00 C ATOM 709 CG LEU A 46 -7.201 2.342 3.153 1.00 0.00 C ATOM 710 CD1 LEU A 46 -6.924 1.441 4.346 1.00 0.00 C ATOM 711 CD2 LEU A 46 -8.403 3.235 3.423 1.00 0.00 C ATOM 0 H LEU A 46 -4.188 4.364 1.591 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.265 1.882 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.611 3.647 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.277 3.995 2.158 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.429 1.712 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.811 0.848 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.092 0.776 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.670 2.052 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.270 2.617 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.187 3.891 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.615 3.837 2.539 1.00 0.00 H new ATOM 723 N GLU A 47 -5.791 1.992 -0.002 1.00 0.00 N ATOM 724 CA GLU A 47 -6.320 1.160 -1.076 1.00 0.00 C ATOM 725 C GLU A 47 -5.305 0.102 -1.495 1.00 0.00 C ATOM 726 O GLU A 47 -5.575 -1.098 -1.422 1.00 0.00 O ATOM 727 CB GLU A 47 -6.699 2.025 -2.281 1.00 0.00 C ATOM 728 CG GLU A 47 -7.153 1.221 -3.487 1.00 0.00 C ATOM 729 CD GLU A 47 -5.995 0.766 -4.354 1.00 0.00 C ATOM 730 OE1 GLU A 47 -5.128 1.605 -4.673 1.00 0.00 O ATOM 731 OE2 GLU A 47 -5.957 -0.430 -4.714 1.00 0.00 O ATOM 0 H GLU A 47 -5.810 2.993 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.212 0.655 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.496 2.710 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.841 2.636 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.713 0.349 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.835 1.825 -4.086 1.00 0.00 H new ATOM 738 N HIS A 48 -4.135 0.553 -1.935 1.00 0.00 N ATOM 739 CA HIS A 48 -3.078 -0.354 -2.367 1.00 0.00 C ATOM 740 C HIS A 48 -2.694 -1.314 -1.244 1.00 0.00 C ATOM 741 O HIS A 48 -2.586 -2.522 -1.457 1.00 0.00 O ATOM 742 CB HIS A 48 -1.850 0.437 -2.819 1.00 0.00 C ATOM 743 CG HIS A 48 -0.880 -0.371 -3.626 1.00 0.00 C ATOM 744 ND1 HIS A 48 -1.195 -0.921 -4.851 1.00 0.00 N ATOM 745 CD2 HIS A 48 0.404 -0.720 -3.377 1.00 0.00 C ATOM 746 CE1 HIS A 48 -0.147 -1.574 -5.320 1.00 0.00 C ATOM 747 NE2 HIS A 48 0.837 -1.467 -4.445 1.00 0.00 N ATOM 0 H HIS A 48 -3.895 1.542 -2.002 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.455 -0.937 -3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.177 1.293 -3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.339 0.832 -1.941 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -2.096 -0.837 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.980 -0.460 -2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.102 -2.105 -6.259 1.00 0.00 H new ATOM 756 N TYR A 49 -2.488 -0.768 -0.051 1.00 0.00 N ATOM 757 CA TYR A 49 -2.113 -1.575 1.104 1.00 0.00 C ATOM 758 C TYR A 49 -3.013 -2.802 1.227 1.00 0.00 C ATOM 759 O TYR A 49 -2.583 -3.927 0.976 1.00 0.00 O ATOM 760 CB TYR A 49 -2.193 -0.741 2.383 1.00 0.00 C ATOM 761 CG TYR A 49 -2.029 -1.553 3.648 1.00 0.00 C ATOM 762 CD1 TYR A 49 -0.885 -2.310 3.867 1.00 0.00 C ATOM 763 CD2 TYR A 49 -3.019 -1.565 4.623 1.00 0.00 C ATOM 764 CE1 TYR A 49 -0.730 -3.055 5.020 1.00 0.00 C ATOM 765 CE2 TYR A 49 -2.872 -2.306 5.780 1.00 0.00 C ATOM 766 CZ TYR A 49 -1.727 -3.049 5.974 1.00 0.00 C ATOM 767 OH TYR A 49 -1.578 -3.789 7.124 1.00 0.00 O ATOM 0 H TYR A 49 -2.574 0.230 0.142 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.086 -1.912 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.422 0.029 2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.154 -0.228 2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.103 -2.316 3.122 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.918 -0.986 4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.166 -3.638 5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.650 -2.303 6.529 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.369 -3.675 7.691 1.00 0.00 H new ATOM 777 N GLU A 50 -4.264 -2.574 1.614 1.00 0.00 N ATOM 778 CA GLU A 50 -5.224 -3.660 1.771 1.00 0.00 C ATOM 779 C GLU A 50 -5.129 -4.642 0.606 1.00 0.00 C ATOM 780 O GLU A 50 -5.183 -5.857 0.798 1.00 0.00 O ATOM 781 CB GLU A 50 -6.646 -3.103 1.868 1.00 0.00 C ATOM 782 CG GLU A 50 -6.900 -2.298 3.131 1.00 0.00 C ATOM 783 CD GLU A 50 -8.372 -2.218 3.486 1.00 0.00 C ATOM 784 OE1 GLU A 50 -9.202 -2.147 2.556 1.00 0.00 O ATOM 785 OE2 GLU A 50 -8.693 -2.226 4.693 1.00 0.00 O ATOM 0 H GLU A 50 -4.636 -1.648 1.824 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.986 -4.191 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.840 -2.472 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.355 -3.930 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.354 -2.748 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.506 -1.290 3.000 1.00 0.00 H new ATOM 792 N PHE A 51 -4.987 -4.106 -0.602 1.00 0.00 N ATOM 793 CA PHE A 51 -4.886 -4.934 -1.798 1.00 0.00 C ATOM 794 C PHE A 51 -3.698 -5.887 -1.701 1.00 0.00 C ATOM 795 O PHE A 51 -3.776 -7.041 -2.124 1.00 0.00 O ATOM 796 CB PHE A 51 -4.750 -4.055 -3.042 1.00 0.00 C ATOM 797 CG PHE A 51 -4.000 -4.715 -4.164 1.00 0.00 C ATOM 798 CD1 PHE A 51 -2.616 -4.785 -4.143 1.00 0.00 C ATOM 799 CD2 PHE A 51 -4.678 -5.267 -5.239 1.00 0.00 C ATOM 800 CE1 PHE A 51 -1.924 -5.391 -5.174 1.00 0.00 C ATOM 801 CE2 PHE A 51 -3.991 -5.875 -6.272 1.00 0.00 C ATOM 802 CZ PHE A 51 -2.612 -5.938 -6.239 1.00 0.00 C ATOM 0 H PHE A 51 -4.939 -3.102 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.798 -5.526 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.745 -3.780 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.241 -3.130 -2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.072 -4.361 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.757 -5.221 -5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.845 -5.437 -5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.532 -6.301 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.073 -6.414 -7.044 1.00 0.00 H new ATOM 812 N LEU A 52 -2.597 -5.395 -1.143 1.00 0.00 N ATOM 813 CA LEU A 52 -1.391 -6.201 -0.991 1.00 0.00 C ATOM 814 C LEU A 52 -1.653 -7.410 -0.098 1.00 0.00 C ATOM 815 O LEU A 52 -1.204 -8.519 -0.390 1.00 0.00 O ATOM 816 CB LEU A 52 -0.260 -5.355 -0.404 1.00 0.00 C ATOM 817 CG LEU A 52 0.214 -4.180 -1.261 1.00 0.00 C ATOM 818 CD1 LEU A 52 1.305 -3.401 -0.542 1.00 0.00 C ATOM 819 CD2 LEU A 52 0.709 -4.672 -2.613 1.00 0.00 C ATOM 0 H LEU A 52 -2.515 -4.442 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.095 -6.558 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.587 -4.967 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.593 -6.007 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.631 -3.512 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.630 -2.569 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.916 -3.017 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.152 -4.059 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.042 -3.823 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.540 -5.362 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.101 -5.185 -3.132 1.00 0.00 H new ATOM 831 N LEU A 53 -2.382 -7.189 0.990 1.00 0.00 N ATOM 832 CA LEU A 53 -2.707 -8.261 1.924 1.00 0.00 C ATOM 833 C LEU A 53 -3.426 -9.403 1.215 1.00 0.00 C ATOM 834 O LEU A 53 -3.015 -10.560 1.305 1.00 0.00 O ATOM 835 CB LEU A 53 -3.576 -7.725 3.064 1.00 0.00 C ATOM 836 CG LEU A 53 -2.863 -6.856 4.101 1.00 0.00 C ATOM 837 CD1 LEU A 53 -1.895 -7.693 4.923 1.00 0.00 C ATOM 838 CD2 LEU A 53 -2.133 -5.706 3.422 1.00 0.00 C ATOM 0 H LEU A 53 -2.759 -6.277 1.247 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.774 -8.645 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.390 -7.144 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.028 -8.573 3.579 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.612 -6.438 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.397 -7.058 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.443 -8.481 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.151 -8.140 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.631 -5.098 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.394 -6.104 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.850 -5.091 2.878 1.00 0.00 H new ATOM 850 N ASP A 54 -4.500 -9.070 0.508 1.00 0.00 N ATOM 851 CA ASP A 54 -5.275 -10.068 -0.221 1.00 0.00 C ATOM 852 C ASP A 54 -4.473 -10.631 -1.390 1.00 0.00 C ATOM 853 O ASP A 54 -4.510 -11.832 -1.660 1.00 0.00 O ATOM 854 CB ASP A 54 -6.582 -9.457 -0.730 1.00 0.00 C ATOM 855 CG ASP A 54 -7.702 -10.476 -0.815 1.00 0.00 C ATOM 856 OD1 ASP A 54 -7.418 -11.644 -1.155 1.00 0.00 O ATOM 857 OD2 ASP A 54 -8.862 -10.105 -0.542 1.00 0.00 O ATOM 0 H ASP A 54 -4.854 -8.117 0.424 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.507 -10.884 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.883 -8.645 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.416 -9.020 -1.715 1.00 0.00 H new ATOM 862 N LYS A 55 -3.750 -9.757 -2.081 1.00 0.00 N ATOM 863 CA LYS A 55 -2.939 -10.166 -3.221 1.00 0.00 C ATOM 864 C LYS A 55 -2.043 -11.345 -2.857 1.00 0.00 C ATOM 865 O LYS A 55 -1.921 -12.303 -3.620 1.00 0.00 O ATOM 866 CB LYS A 55 -2.084 -8.995 -3.711 1.00 0.00 C ATOM 867 CG LYS A 55 -1.251 -9.321 -4.939 1.00 0.00 C ATOM 868 CD LYS A 55 -0.083 -8.362 -5.092 1.00 0.00 C ATOM 869 CE LYS A 55 1.145 -8.854 -4.340 1.00 0.00 C ATOM 870 NZ LYS A 55 1.176 -8.352 -2.939 1.00 0.00 N ATOM 0 H LYS A 55 -3.709 -8.760 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.612 -10.477 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.735 -8.151 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.421 -8.679 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.877 -10.342 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.879 -9.275 -5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.158 -8.247 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.368 -7.378 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.155 -9.944 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.045 -8.529 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.162 -8.298 -2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.746 -7.406 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.642 -9.001 -2.326 1.00 0.00 H new ATOM 884 N ALA A 56 -1.420 -11.269 -1.686 1.00 0.00 N ATOM 885 CA ALA A 56 -0.538 -12.332 -1.219 1.00 0.00 C ATOM 886 C ALA A 56 -1.331 -13.583 -0.858 1.00 0.00 C ATOM 887 O ALA A 56 -0.909 -14.702 -1.148 1.00 0.00 O ATOM 888 CB ALA A 56 0.275 -11.856 -0.024 1.00 0.00 C ATOM 0 H ALA A 56 -1.510 -10.482 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 56 0.144 -12.588 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.929 -12.660 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.878 -10.995 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.399 -11.572 0.784 1.00 0.00 H new ATOM 894 N ALA A 57 -2.481 -13.387 -0.222 1.00 0.00 N ATOM 895 CA ALA A 57 -3.333 -14.500 0.178 1.00 0.00 C ATOM 896 C ALA A 57 -3.814 -15.287 -1.037 1.00 0.00 C ATOM 897 O ALA A 57 -3.757 -16.516 -1.052 1.00 0.00 O ATOM 898 CB ALA A 57 -4.520 -13.993 0.984 1.00 0.00 C ATOM 0 H ALA A 57 -2.844 -12.467 0.027 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.743 -15.171 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.148 -14.835 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.161 -13.481 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.102 -13.300 0.377 1.00 0.00 H new ATOM 904 N GLN A 58 -4.287 -14.570 -2.051 1.00 0.00 N ATOM 905 CA GLN A 58 -4.778 -15.203 -3.269 1.00 0.00 C ATOM 906 C GLN A 58 -3.656 -15.946 -3.988 1.00 0.00 C ATOM 907 O GLN A 58 -3.830 -17.086 -4.419 1.00 0.00 O ATOM 908 CB GLN A 58 -5.392 -14.157 -4.201 1.00 0.00 C ATOM 909 CG GLN A 58 -4.421 -13.060 -4.607 1.00 0.00 C ATOM 910 CD GLN A 58 -5.029 -12.077 -5.589 1.00 0.00 C ATOM 911 OE1 GLN A 58 -4.617 -12.004 -6.747 1.00 0.00 O ATOM 912 NE2 GLN A 58 -6.014 -11.314 -5.130 1.00 0.00 N ATOM 0 H GLN A 58 -4.341 -13.551 -2.053 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.545 -15.925 -2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.762 -14.654 -5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.253 -13.705 -3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.093 -12.523 -3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.534 -13.511 -5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.324 -11.408 -4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.461 -10.634 -5.745 1.00 0.00 H new ATOM 921 N ARG A 59 -2.506 -15.292 -4.113 1.00 0.00 N ATOM 922 CA ARG A 59 -1.356 -15.889 -4.781 1.00 0.00 C ATOM 923 C ARG A 59 -0.771 -17.024 -3.945 1.00 0.00 C ATOM 924 O ARG A 59 -0.203 -16.792 -2.877 1.00 0.00 O ATOM 925 CB ARG A 59 -0.285 -14.830 -5.044 1.00 0.00 C ATOM 926 CG ARG A 59 0.889 -15.341 -5.864 1.00 0.00 C ATOM 927 CD ARG A 59 2.102 -14.434 -5.725 1.00 0.00 C ATOM 928 NE ARG A 59 3.142 -14.759 -6.698 1.00 0.00 N ATOM 929 CZ ARG A 59 4.427 -14.474 -6.522 1.00 0.00 C ATOM 930 NH1 ARG A 59 4.829 -13.862 -5.416 1.00 0.00 N ATOM 931 NH2 ARG A 59 5.314 -14.801 -7.453 1.00 0.00 N ATOM 0 H ARG A 59 -2.346 -14.348 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.693 -16.298 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.740 -13.986 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.085 -14.455 -4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.148 -16.349 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.600 -15.406 -6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.795 -13.396 -5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.508 -14.523 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 59 2.866 -15.230 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.150 -13.609 -4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.817 -13.644 -5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.009 -15.272 -8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.301 -14.582 -7.317 1.00 0.00 H new ATOM 945 N ASP A 60 -0.913 -18.249 -4.437 1.00 0.00 N ATOM 946 CA ASP A 60 -0.398 -19.419 -3.736 1.00 0.00 C ATOM 947 C ASP A 60 1.084 -19.624 -4.036 1.00 0.00 C ATOM 948 O ASP A 60 1.533 -20.749 -4.258 1.00 0.00 O ATOM 949 CB ASP A 60 -1.189 -20.667 -4.133 1.00 0.00 C ATOM 950 CG ASP A 60 -2.584 -20.681 -3.539 1.00 0.00 C ATOM 951 OD1 ASP A 60 -2.736 -20.265 -2.372 1.00 0.00 O ATOM 952 OD2 ASP A 60 -3.523 -21.109 -4.242 1.00 0.00 O ATOM 0 H ASP A 60 -1.381 -18.458 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.513 -19.250 -2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.259 -20.719 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.649 -21.555 -3.806 1.00 0.00 H new ATOM 957 N SER A 61 1.838 -18.530 -4.043 1.00 0.00 N ATOM 958 CA SER A 61 3.268 -18.589 -4.321 1.00 0.00 C ATOM 959 C SER A 61 4.029 -19.169 -3.132 1.00 0.00 C ATOM 960 O SER A 61 3.725 -18.867 -1.979 1.00 0.00 O ATOM 961 CB SER A 61 3.803 -17.194 -4.651 1.00 0.00 C ATOM 962 OG SER A 61 5.064 -17.270 -5.293 1.00 0.00 O ATOM 0 H SER A 61 1.482 -17.592 -3.859 1.00 0.00 H new ATOM 0 HA SER A 61 3.419 -19.241 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.095 -16.672 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.892 -16.609 -3.735 1.00 0.00 H new ATOM 0 HG SER A 61 5.590 -16.472 -5.077 1.00 0.00 H new ATOM 968 N GLY A 62 5.022 -20.004 -3.424 1.00 0.00 N ATOM 969 CA GLY A 62 5.812 -20.614 -2.370 1.00 0.00 C ATOM 970 C GLY A 62 6.791 -19.641 -1.742 1.00 0.00 C ATOM 971 O GLY A 62 7.443 -18.854 -2.429 1.00 0.00 O ATOM 0 H GLY A 62 5.293 -20.269 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.146 -21.003 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.360 -21.464 -2.776 1.00 0.00 H new ATOM 975 N PRO A 63 6.903 -19.688 -0.407 1.00 0.00 N ATOM 976 CA PRO A 63 7.807 -18.810 0.343 1.00 0.00 C ATOM 977 C PRO A 63 9.274 -19.153 0.109 1.00 0.00 C ATOM 978 O PRO A 63 9.822 -20.048 0.754 1.00 0.00 O ATOM 979 CB PRO A 63 7.423 -19.068 1.802 1.00 0.00 C ATOM 980 CG PRO A 63 6.842 -20.439 1.804 1.00 0.00 C ATOM 981 CD PRO A 63 6.157 -20.601 0.475 1.00 0.00 C ATOM 0 HA PRO A 63 7.707 -17.768 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.292 -19.005 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.702 -18.332 2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.619 -21.192 1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.135 -20.562 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.205 -21.631 0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.102 -20.333 0.531 1.00 0.00 H new ATOM 989 N SER A 64 9.905 -18.437 -0.815 1.00 0.00 N ATOM 990 CA SER A 64 11.309 -18.669 -1.136 1.00 0.00 C ATOM 991 C SER A 64 12.071 -17.350 -1.222 1.00 0.00 C ATOM 992 O SER A 64 12.266 -16.802 -2.306 1.00 0.00 O ATOM 993 CB SER A 64 11.433 -19.430 -2.457 1.00 0.00 C ATOM 994 OG SER A 64 10.750 -18.755 -3.500 1.00 0.00 O ATOM 0 H SER A 64 9.467 -17.691 -1.355 1.00 0.00 H new ATOM 0 HA SER A 64 11.745 -19.269 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.485 -19.541 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.026 -20.434 -2.341 1.00 0.00 H new ATOM 0 HG SER A 64 11.004 -17.808 -3.498 1.00 0.00 H new ATOM 1000 N SER A 65 12.500 -16.846 -0.069 1.00 0.00 N ATOM 1001 CA SER A 65 13.238 -15.589 -0.011 1.00 0.00 C ATOM 1002 C SER A 65 14.632 -15.804 0.570 1.00 0.00 C ATOM 1003 O SER A 65 14.828 -16.644 1.448 1.00 0.00 O ATOM 1004 CB SER A 65 12.475 -14.564 0.829 1.00 0.00 C ATOM 1005 OG SER A 65 11.146 -14.409 0.363 1.00 0.00 O ATOM 0 H SER A 65 12.349 -17.289 0.837 1.00 0.00 H new ATOM 0 HA SER A 65 13.342 -15.210 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.463 -14.881 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.990 -13.604 0.793 1.00 0.00 H new ATOM 0 HG SER A 65 10.680 -13.750 0.918 1.00 0.00 H new ATOM 1011 N GLY A 66 15.599 -15.039 0.072 1.00 0.00 N ATOM 1012 CA GLY A 66 16.963 -15.160 0.552 1.00 0.00 C ATOM 1013 C GLY A 66 17.914 -15.652 -0.521 1.00 0.00 C ATOM 1014 O GLY A 66 18.692 -16.577 -0.292 1.00 0.00 O ATOM 0 H GLY A 66 15.462 -14.337 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.303 -14.191 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.988 -15.847 1.398 1.00 0.00 H new TER 1018 GLY A 66