USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 878 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 92 GLN : amide:sc= 1.66 K(o=1.6,f=-3.7!) USER MOD Set 1.2: A 104 HIS :FLIP no HD1:sc= -0.052 F(o=1.1,f=1.6) USER MOD Set 2.1: A 87 HIS : no HD1:sc= -0.886 X(o=0.3,f=0.46) USER MOD Set 2.2: A 91 THR OG1 : rot -74:sc= 1.18 USER MOD Set 3.1: A 52 SER OG : rot -101:sc= 1.28 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 1.02 K(o=2.3,f=-5.7!) USER MOD Set 4.1: A 20 HIS : no HD1:sc= -0.944 X(o=-0.22,f=-0.46) USER MOD Set 4.2: A 109 SER OG : rot 67:sc= 0.728 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.139 (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 -71:sc= 0.137 USER MOD Single : A 10 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.6) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.405 X(o=-0.41,f=-0.77) USER MOD Single : A 16 GLN : amide:sc= 1.21 K(o=1.2,f=-0.48) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0713 X(o=-0.071,f=-0.0053) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.139 USER MOD Single : A 44 GLN : amide:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 40:sc= 0.352 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.117 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 170:sc= -0.259 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0219 (180deg=-0.216) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 4:sc= 0.2 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.041 3.661 9.470 1.00 0.00 N ATOM 2 CA GLY A 1 27.018 3.656 10.524 1.00 0.00 C ATOM 3 C GLY A 1 26.868 5.035 11.139 1.00 0.00 C ATOM 4 O GLY A 1 27.656 5.930 10.849 1.00 0.00 O ATOM 0 H1 GLY A 1 27.618 3.344 8.574 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.416 4.624 9.355 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.815 3.018 9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.064 3.333 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.289 2.936 11.296 1.00 0.00 H new ATOM 8 N SER A 2 25.868 5.206 12.009 1.00 0.00 N ATOM 9 CA SER A 2 25.543 6.453 12.704 1.00 0.00 C ATOM 10 C SER A 2 25.142 7.600 11.759 1.00 0.00 C ATOM 11 O SER A 2 25.060 8.762 12.165 1.00 0.00 O ATOM 12 CB SER A 2 26.660 6.801 13.703 1.00 0.00 C ATOM 13 OG SER A 2 26.140 7.474 14.831 1.00 0.00 O ATOM 0 H SER A 2 25.236 4.445 12.258 1.00 0.00 H new ATOM 0 HA SER A 2 24.634 6.295 13.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.166 5.889 14.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.407 7.426 13.215 1.00 0.00 H new ATOM 0 HG SER A 2 26.869 7.683 15.452 1.00 0.00 H new ATOM 19 N SER A 3 24.864 7.271 10.501 1.00 0.00 N ATOM 20 CA SER A 3 24.457 8.158 9.439 1.00 0.00 C ATOM 21 C SER A 3 23.244 7.449 8.843 1.00 0.00 C ATOM 22 O SER A 3 23.397 6.411 8.192 1.00 0.00 O ATOM 23 CB SER A 3 25.637 8.343 8.474 1.00 0.00 C ATOM 24 OG SER A 3 25.337 9.260 7.442 1.00 0.00 O ATOM 0 H SER A 3 24.925 6.304 10.184 1.00 0.00 H new ATOM 0 HA SER A 3 24.187 9.171 9.738 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.508 8.693 9.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.903 7.380 8.038 1.00 0.00 H new ATOM 0 HG SER A 3 26.113 9.352 6.850 1.00 0.00 H new ATOM 30 N GLY A 4 22.042 7.974 9.077 1.00 0.00 N ATOM 31 CA GLY A 4 20.809 7.388 8.572 1.00 0.00 C ATOM 32 C GLY A 4 19.521 8.004 9.125 1.00 0.00 C ATOM 33 O GLY A 4 18.448 7.512 8.771 1.00 0.00 O ATOM 0 H GLY A 4 21.899 8.822 9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.800 7.480 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.811 6.322 8.802 1.00 0.00 H new ATOM 37 N SER A 5 19.586 9.044 9.965 1.00 0.00 N ATOM 38 CA SER A 5 18.424 9.713 10.549 1.00 0.00 C ATOM 39 C SER A 5 17.487 10.240 9.453 1.00 0.00 C ATOM 40 O SER A 5 17.810 11.227 8.793 1.00 0.00 O ATOM 41 CB SER A 5 18.881 10.877 11.443 1.00 0.00 C ATOM 42 OG SER A 5 19.787 10.471 12.460 1.00 0.00 O ATOM 0 H SER A 5 20.472 9.452 10.263 1.00 0.00 H new ATOM 0 HA SER A 5 17.879 8.985 11.151 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.355 11.639 10.824 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.008 11.339 11.904 1.00 0.00 H new ATOM 0 HG SER A 5 20.046 11.249 12.997 1.00 0.00 H new ATOM 48 N SER A 6 16.347 9.588 9.228 1.00 0.00 N ATOM 49 CA SER A 6 15.345 9.956 8.238 1.00 0.00 C ATOM 50 C SER A 6 14.129 9.069 8.442 1.00 0.00 C ATOM 51 O SER A 6 14.235 7.987 9.027 1.00 0.00 O ATOM 52 CB SER A 6 15.890 9.690 6.819 1.00 0.00 C ATOM 53 OG SER A 6 15.003 10.080 5.775 1.00 0.00 O ATOM 0 H SER A 6 16.089 8.754 9.755 1.00 0.00 H new ATOM 0 HA SER A 6 15.093 11.011 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.834 10.222 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.108 8.627 6.718 1.00 0.00 H new ATOM 0 HG SER A 6 14.239 9.466 5.748 1.00 0.00 H new ATOM 59 N GLY A 7 12.978 9.528 7.958 1.00 0.00 N ATOM 60 CA GLY A 7 11.747 8.767 8.020 1.00 0.00 C ATOM 61 C GLY A 7 11.667 8.006 6.700 1.00 0.00 C ATOM 62 O GLY A 7 12.342 8.346 5.716 1.00 0.00 O ATOM 0 H GLY A 7 12.879 10.440 7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.752 8.082 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.886 9.424 8.146 1.00 0.00 H new ATOM 66 N GLU A 8 10.849 6.964 6.682 1.00 0.00 N ATOM 67 CA GLU A 8 10.644 6.132 5.508 1.00 0.00 C ATOM 68 C GLU A 8 9.698 6.864 4.565 1.00 0.00 C ATOM 69 O GLU A 8 9.876 6.839 3.354 1.00 0.00 O ATOM 70 CB GLU A 8 10.050 4.768 5.894 1.00 0.00 C ATOM 71 CG GLU A 8 10.760 4.057 7.056 1.00 0.00 C ATOM 72 CD GLU A 8 12.247 3.766 6.800 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.069 4.709 6.810 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.615 2.576 6.634 1.00 0.00 O ATOM 0 H GLU A 8 10.303 6.670 7.492 1.00 0.00 H new ATOM 0 HA GLU A 8 11.602 5.949 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.002 4.907 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.075 4.117 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.670 4.671 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.247 3.117 7.260 1.00 0.00 H new ATOM 81 N VAL A 9 8.719 7.562 5.134 1.00 0.00 N ATOM 82 CA VAL A 9 7.693 8.319 4.435 1.00 0.00 C ATOM 83 C VAL A 9 8.276 9.344 3.463 1.00 0.00 C ATOM 84 O VAL A 9 7.736 9.559 2.377 1.00 0.00 O ATOM 85 CB VAL A 9 6.819 9.023 5.489 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.718 9.890 4.872 1.00 0.00 C ATOM 87 CG2 VAL A 9 6.206 7.998 6.436 1.00 0.00 C ATOM 0 H VAL A 9 8.618 7.615 6.148 1.00 0.00 H new ATOM 0 HA VAL A 9 7.102 7.628 3.833 1.00 0.00 H new ATOM 0 HB VAL A 9 7.477 9.693 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.137 10.359 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.169 10.662 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.063 9.267 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.590 8.509 7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.588 7.302 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.000 7.449 6.941 1.00 0.00 H new ATOM 97 N GLN A 10 9.385 9.968 3.848 1.00 0.00 N ATOM 98 CA GLN A 10 10.060 10.992 3.068 1.00 0.00 C ATOM 99 C GLN A 10 10.750 10.424 1.824 1.00 0.00 C ATOM 100 O GLN A 10 11.219 11.197 0.984 1.00 0.00 O ATOM 101 CB GLN A 10 11.023 11.760 3.987 1.00 0.00 C ATOM 102 CG GLN A 10 10.266 12.659 4.981 1.00 0.00 C ATOM 103 CD GLN A 10 9.384 11.906 5.974 1.00 0.00 C ATOM 104 OE1 GLN A 10 9.832 10.988 6.649 1.00 0.00 O ATOM 105 NE2 GLN A 10 8.097 12.211 6.024 1.00 0.00 N ATOM 0 H GLN A 10 9.849 9.768 4.734 1.00 0.00 H new ATOM 0 HA GLN A 10 9.318 11.689 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.644 11.052 4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.694 12.370 3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.990 13.254 5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.645 13.357 4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.732 12.977 5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.470 11.680 6.628 1.00 0.00 H new ATOM 114 N LYS A 11 10.872 9.102 1.714 1.00 0.00 N ATOM 115 CA LYS A 11 11.476 8.437 0.568 1.00 0.00 C ATOM 116 C LYS A 11 10.329 8.155 -0.412 1.00 0.00 C ATOM 117 O LYS A 11 9.204 7.907 0.034 1.00 0.00 O ATOM 118 CB LYS A 11 12.109 7.101 0.991 1.00 0.00 C ATOM 119 CG LYS A 11 13.015 7.135 2.231 1.00 0.00 C ATOM 120 CD LYS A 11 13.285 5.692 2.680 1.00 0.00 C ATOM 121 CE LYS A 11 14.014 5.648 4.025 1.00 0.00 C ATOM 122 NZ LYS A 11 15.461 5.899 3.915 1.00 0.00 N ATOM 0 H LYS A 11 10.547 8.455 2.433 1.00 0.00 H new ATOM 0 HA LYS A 11 12.257 9.057 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.307 6.386 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.692 6.719 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.952 7.641 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.537 7.698 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.341 5.152 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.882 5.181 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.574 6.389 4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.856 4.672 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.894 5.855 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.893 5.178 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.620 6.842 3.505 1.00 0.00 H new ATOM 136 N PRO A 12 10.528 8.195 -1.735 1.00 0.00 N ATOM 137 CA PRO A 12 9.460 7.911 -2.677 1.00 0.00 C ATOM 138 C PRO A 12 9.148 6.414 -2.618 1.00 0.00 C ATOM 139 O PRO A 12 9.905 5.632 -2.044 1.00 0.00 O ATOM 140 CB PRO A 12 10.023 8.336 -4.027 1.00 0.00 C ATOM 141 CG PRO A 12 11.511 8.033 -3.886 1.00 0.00 C ATOM 142 CD PRO A 12 11.766 8.455 -2.435 1.00 0.00 C ATOM 0 HA PRO A 12 8.526 8.433 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.573 7.776 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.843 9.393 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.734 6.979 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.115 8.602 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.589 7.888 -2.000 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.037 9.509 -2.375 1.00 0.00 H new ATOM 150 N LEU A 13 8.057 5.998 -3.260 1.00 0.00 N ATOM 151 CA LEU A 13 7.633 4.598 -3.293 1.00 0.00 C ATOM 152 C LEU A 13 8.746 3.662 -3.785 1.00 0.00 C ATOM 153 O LEU A 13 8.859 2.537 -3.309 1.00 0.00 O ATOM 154 CB LEU A 13 6.349 4.505 -4.139 1.00 0.00 C ATOM 155 CG LEU A 13 5.951 3.101 -4.641 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.448 3.058 -4.929 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.651 2.749 -5.962 1.00 0.00 C ATOM 0 H LEU A 13 7.439 6.626 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 13 7.417 4.255 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.523 4.902 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.464 5.156 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 13 6.240 2.397 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.174 2.064 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.896 3.283 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.203 3.796 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.345 1.753 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.375 3.476 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.731 2.767 -5.817 1.00 0.00 H new ATOM 169 N HIS A 14 9.595 4.125 -4.707 1.00 0.00 N ATOM 170 CA HIS A 14 10.698 3.362 -5.297 1.00 0.00 C ATOM 171 C HIS A 14 11.803 3.017 -4.278 1.00 0.00 C ATOM 172 O HIS A 14 12.691 2.218 -4.576 1.00 0.00 O ATOM 173 CB HIS A 14 11.293 4.161 -6.478 1.00 0.00 C ATOM 174 CG HIS A 14 10.303 5.082 -7.159 1.00 0.00 C ATOM 175 ND1 HIS A 14 10.305 6.455 -7.067 1.00 0.00 N ATOM 176 CD2 HIS A 14 9.151 4.714 -7.805 1.00 0.00 C ATOM 177 CE1 HIS A 14 9.178 6.910 -7.635 1.00 0.00 C ATOM 178 NE2 HIS A 14 8.434 5.886 -8.092 1.00 0.00 N ATOM 0 H HIS A 14 9.531 5.074 -5.076 1.00 0.00 H new ATOM 0 HA HIS A 14 10.291 2.413 -5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.134 4.752 -6.116 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.688 3.461 -7.214 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.850 3.706 -8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.906 7.952 -7.714 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.528 5.949 -8.556 1.00 0.00 H new ATOM 186 N GLU A 15 11.776 3.619 -3.089 1.00 0.00 N ATOM 187 CA GLU A 15 12.736 3.424 -2.006 1.00 0.00 C ATOM 188 C GLU A 15 12.050 2.778 -0.783 1.00 0.00 C ATOM 189 O GLU A 15 12.609 2.797 0.315 1.00 0.00 O ATOM 190 CB GLU A 15 13.412 4.783 -1.704 1.00 0.00 C ATOM 191 CG GLU A 15 14.367 5.217 -2.834 1.00 0.00 C ATOM 192 CD GLU A 15 15.209 6.484 -2.585 1.00 0.00 C ATOM 193 OE1 GLU A 15 14.779 7.455 -1.917 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.330 6.567 -3.134 1.00 0.00 O ATOM 0 H GLU A 15 11.047 4.289 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 15 13.520 2.724 -2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.646 5.546 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.966 4.712 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.048 4.391 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.776 5.374 -3.736 1.00 0.00 H new ATOM 201 N GLN A 16 10.838 2.221 -0.954 1.00 0.00 N ATOM 202 CA GLN A 16 10.066 1.584 0.112 1.00 0.00 C ATOM 203 C GLN A 16 10.244 0.072 0.143 1.00 0.00 C ATOM 204 O GLN A 16 10.233 -0.606 -0.884 1.00 0.00 O ATOM 205 CB GLN A 16 8.565 1.858 -0.061 1.00 0.00 C ATOM 206 CG GLN A 16 8.230 3.345 0.015 1.00 0.00 C ATOM 207 CD GLN A 16 8.515 3.972 1.369 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.524 3.313 2.404 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.762 5.266 1.356 1.00 0.00 N ATOM 0 H GLN A 16 10.364 2.204 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 16 10.442 2.013 1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.235 1.463 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.010 1.324 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.801 3.875 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.175 3.482 -0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.745 5.780 0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.970 5.754 2.227 1.00 0.00 H new ATOM 218 N LEU A 17 10.295 -0.463 1.361 1.00 0.00 N ATOM 219 CA LEU A 17 10.451 -1.882 1.650 1.00 0.00 C ATOM 220 C LEU A 17 9.250 -2.728 1.227 1.00 0.00 C ATOM 221 O LEU A 17 9.418 -3.926 1.016 1.00 0.00 O ATOM 222 CB LEU A 17 10.788 -2.106 3.144 1.00 0.00 C ATOM 223 CG LEU A 17 9.788 -1.750 4.278 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.462 -0.253 4.361 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.484 -2.551 4.284 1.00 0.00 C ATOM 0 H LEU A 17 10.226 0.105 2.205 1.00 0.00 H new ATOM 0 HA LEU A 17 11.288 -2.225 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.027 -3.164 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.703 -1.549 3.346 1.00 0.00 H new ATOM 0 HG LEU A 17 10.345 -2.045 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.758 -0.078 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.377 0.309 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.018 0.075 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.859 -2.223 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.953 -2.389 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.709 -3.612 4.396 1.00 0.00 H new ATOM 237 N TRP A 18 8.069 -2.129 1.069 1.00 0.00 N ATOM 238 CA TRP A 18 6.836 -2.821 0.701 1.00 0.00 C ATOM 239 C TRP A 18 6.524 -2.760 -0.789 1.00 0.00 C ATOM 240 O TRP A 18 5.488 -3.277 -1.225 1.00 0.00 O ATOM 241 CB TRP A 18 5.693 -2.252 1.555 1.00 0.00 C ATOM 242 CG TRP A 18 5.650 -0.756 1.749 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.945 -0.103 2.900 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.279 0.289 0.795 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.775 1.254 2.729 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.299 1.541 1.475 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.933 0.328 -0.572 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.930 2.737 0.857 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.615 1.540 -1.220 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.588 2.745 -0.499 1.00 0.00 C ATOM 0 H TRP A 18 7.942 -1.125 1.197 1.00 0.00 H new ATOM 0 HA TRP A 18 6.962 -3.884 0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.750 -2.561 1.104 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.743 -2.718 2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.266 -0.577 3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.977 1.954 3.443 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.911 -0.593 -1.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.909 3.655 1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.391 1.541 -2.277 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.306 3.667 -0.986 1.00 0.00 H new ATOM 261 N TYR A 19 7.376 -2.109 -1.578 1.00 0.00 N ATOM 262 CA TYR A 19 7.179 -1.989 -3.003 1.00 0.00 C ATOM 263 C TYR A 19 7.919 -3.133 -3.694 1.00 0.00 C ATOM 264 O TYR A 19 9.111 -3.042 -3.981 1.00 0.00 O ATOM 265 CB TYR A 19 7.607 -0.596 -3.477 1.00 0.00 C ATOM 266 CG TYR A 19 7.459 -0.466 -4.979 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.229 -0.792 -5.583 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.561 -0.112 -5.778 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.113 -0.819 -6.980 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.441 -0.089 -7.177 1.00 0.00 C ATOM 271 CZ TYR A 19 7.225 -0.489 -7.784 1.00 0.00 C ATOM 272 OH TYR A 19 7.097 -0.592 -9.133 1.00 0.00 O ATOM 0 H TYR A 19 8.222 -1.652 -1.237 1.00 0.00 H new ATOM 0 HA TYR A 19 6.125 -2.079 -3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.002 0.163 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.643 -0.413 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.372 -1.022 -4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.502 0.143 -5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.175 -1.092 -7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.272 0.232 -7.787 1.00 0.00 H new ATOM 0 HH TYR A 19 7.939 -0.333 -9.562 1.00 0.00 H new ATOM 282 N HIS A 20 7.212 -4.243 -3.928 1.00 0.00 N ATOM 283 CA HIS A 20 7.805 -5.408 -4.575 1.00 0.00 C ATOM 284 C HIS A 20 8.187 -5.110 -6.026 1.00 0.00 C ATOM 285 O HIS A 20 9.339 -5.326 -6.400 1.00 0.00 O ATOM 286 CB HIS A 20 6.883 -6.629 -4.480 1.00 0.00 C ATOM 287 CG HIS A 20 6.858 -7.257 -3.102 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.497 -8.433 -2.779 1.00 0.00 N ATOM 289 CD2 HIS A 20 6.258 -6.788 -1.956 1.00 0.00 C ATOM 290 CE1 HIS A 20 7.295 -8.669 -1.471 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.573 -7.681 -0.930 1.00 0.00 N ATOM 0 H HIS A 20 6.230 -4.355 -3.678 1.00 0.00 H new ATOM 0 HA HIS A 20 8.723 -5.647 -4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.871 -6.333 -4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.205 -7.376 -5.206 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.656 -5.896 -1.867 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.662 -9.531 -0.935 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.303 -7.596 0.050 1.00 0.00 H new ATOM 299 N GLY A 21 7.258 -4.593 -6.838 1.00 0.00 N ATOM 300 CA GLY A 21 7.502 -4.273 -8.242 1.00 0.00 C ATOM 301 C GLY A 21 6.292 -4.640 -9.093 1.00 0.00 C ATOM 302 O GLY A 21 5.173 -4.727 -8.582 1.00 0.00 O ATOM 0 H GLY A 21 6.308 -4.384 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.718 -3.210 -8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.380 -4.813 -8.597 1.00 0.00 H new ATOM 306 N ALA A 22 6.502 -4.857 -10.392 1.00 0.00 N ATOM 307 CA ALA A 22 5.473 -5.232 -11.366 1.00 0.00 C ATOM 308 C ALA A 22 5.018 -6.702 -11.231 1.00 0.00 C ATOM 309 O ALA A 22 4.474 -7.280 -12.180 1.00 0.00 O ATOM 310 CB ALA A 22 6.013 -4.944 -12.772 1.00 0.00 C ATOM 0 H ALA A 22 7.428 -4.774 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 22 4.581 -4.636 -11.172 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.262 -5.216 -13.513 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.244 -3.883 -12.863 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.918 -5.528 -12.941 1.00 0.00 H new ATOM 316 N ILE A 23 5.267 -7.344 -10.085 1.00 0.00 N ATOM 317 CA ILE A 23 4.913 -8.733 -9.812 1.00 0.00 C ATOM 318 C ILE A 23 3.392 -8.961 -9.948 1.00 0.00 C ATOM 319 O ILE A 23 2.607 -8.073 -9.598 1.00 0.00 O ATOM 320 CB ILE A 23 5.468 -9.164 -8.436 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.815 -8.433 -7.246 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.994 -8.938 -8.385 1.00 0.00 C ATOM 323 CD1 ILE A 23 5.061 -9.165 -5.927 1.00 0.00 C ATOM 0 H ILE A 23 5.736 -6.893 -9.299 1.00 0.00 H new ATOM 0 HA ILE A 23 5.380 -9.373 -10.561 1.00 0.00 H new ATOM 0 HB ILE A 23 5.226 -10.222 -8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.212 -7.420 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.742 -8.344 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.375 -9.245 -7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.475 -9.528 -9.165 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.211 -7.882 -8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.585 -8.618 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.641 -10.169 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.133 -9.231 -5.742 1.00 0.00 H new ATOM 335 N PRO A 24 2.939 -10.129 -10.430 1.00 0.00 N ATOM 336 CA PRO A 24 1.522 -10.435 -10.610 1.00 0.00 C ATOM 337 C PRO A 24 0.837 -10.943 -9.336 1.00 0.00 C ATOM 338 O PRO A 24 1.462 -11.217 -8.309 1.00 0.00 O ATOM 339 CB PRO A 24 1.520 -11.540 -11.668 1.00 0.00 C ATOM 340 CG PRO A 24 2.770 -12.334 -11.310 1.00 0.00 C ATOM 341 CD PRO A 24 3.753 -11.243 -10.887 1.00 0.00 C ATOM 0 HA PRO A 24 0.968 -9.539 -10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.620 -12.153 -11.615 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.571 -11.135 -12.679 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.582 -13.044 -10.504 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.142 -12.907 -12.159 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.412 -11.597 -10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.389 -10.946 -11.721 1.00 0.00 H new ATOM 349 N ARG A 25 -0.488 -11.116 -9.411 1.00 0.00 N ATOM 350 CA ARG A 25 -1.317 -11.618 -8.316 1.00 0.00 C ATOM 351 C ARG A 25 -0.821 -13.004 -7.889 1.00 0.00 C ATOM 352 O ARG A 25 -0.930 -13.323 -6.707 1.00 0.00 O ATOM 353 CB ARG A 25 -2.789 -11.620 -8.763 1.00 0.00 C ATOM 354 CG ARG A 25 -3.785 -12.097 -7.696 1.00 0.00 C ATOM 355 CD ARG A 25 -5.209 -12.092 -8.267 1.00 0.00 C ATOM 356 NE ARG A 25 -6.150 -12.817 -7.396 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.619 -14.057 -7.588 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.186 -14.819 -8.585 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.540 -14.543 -6.767 1.00 0.00 N ATOM 0 H ARG A 25 -1.022 -10.905 -10.254 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.241 -10.972 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.062 -10.610 -9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.886 -12.257 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.521 -13.101 -7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.733 -11.448 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.547 -11.063 -8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.205 -12.548 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.477 -12.326 -6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.479 -14.464 -9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.561 -15.760 -8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.887 -13.973 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.902 -15.486 -6.907 1.00 0.00 H new ATOM 373 N ALA A 26 -0.235 -13.776 -8.814 1.00 0.00 N ATOM 374 CA ALA A 26 0.325 -15.112 -8.607 1.00 0.00 C ATOM 375 C ALA A 26 1.515 -15.123 -7.632 1.00 0.00 C ATOM 376 O ALA A 26 2.051 -16.188 -7.335 1.00 0.00 O ATOM 377 CB ALA A 26 0.739 -15.695 -9.961 1.00 0.00 C ATOM 0 H ALA A 26 -0.135 -13.464 -9.780 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.449 -15.727 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.158 -16.691 -9.816 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.133 -15.759 -10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.488 -15.050 -10.421 1.00 0.00 H new ATOM 383 N GLU A 27 1.958 -13.955 -7.167 1.00 0.00 N ATOM 384 CA GLU A 27 3.053 -13.771 -6.218 1.00 0.00 C ATOM 385 C GLU A 27 2.503 -12.963 -5.052 1.00 0.00 C ATOM 386 O GLU A 27 2.708 -13.314 -3.893 1.00 0.00 O ATOM 387 CB GLU A 27 4.240 -13.061 -6.876 1.00 0.00 C ATOM 388 CG GLU A 27 4.891 -13.976 -7.911 1.00 0.00 C ATOM 389 CD GLU A 27 6.027 -13.307 -8.679 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.731 -12.450 -8.115 1.00 0.00 O ATOM 391 OE2 GLU A 27 6.203 -13.676 -9.866 1.00 0.00 O ATOM 0 H GLU A 27 1.542 -13.070 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 27 3.426 -14.735 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.904 -12.140 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.971 -12.779 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.275 -14.865 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.132 -14.311 -8.618 1.00 0.00 H new ATOM 398 N VAL A 28 1.740 -11.904 -5.347 1.00 0.00 N ATOM 399 CA VAL A 28 1.132 -11.048 -4.335 1.00 0.00 C ATOM 400 C VAL A 28 0.324 -11.908 -3.364 1.00 0.00 C ATOM 401 O VAL A 28 0.528 -11.808 -2.160 1.00 0.00 O ATOM 402 CB VAL A 28 0.254 -9.975 -5.002 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.506 -9.126 -3.974 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.997 -9.035 -5.964 1.00 0.00 C ATOM 0 H VAL A 28 1.529 -11.619 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 28 1.911 -10.532 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.445 -10.560 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.112 -8.383 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.153 -9.769 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.206 -8.622 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.295 -8.315 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.780 -8.505 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.444 -9.618 -6.770 1.00 0.00 H new ATOM 414 N ALA A 29 -0.574 -12.765 -3.865 1.00 0.00 N ATOM 415 CA ALA A 29 -1.408 -13.617 -3.023 1.00 0.00 C ATOM 416 C ALA A 29 -0.630 -14.538 -2.080 1.00 0.00 C ATOM 417 O ALA A 29 -1.232 -15.071 -1.151 1.00 0.00 O ATOM 418 CB ALA A 29 -2.305 -14.476 -3.918 1.00 0.00 C ATOM 0 H ALA A 29 -0.739 -12.884 -4.864 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.983 -12.943 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.932 -15.116 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.937 -13.830 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.686 -15.095 -4.567 1.00 0.00 H new ATOM 424 N GLU A 30 0.660 -14.758 -2.316 1.00 0.00 N ATOM 425 CA GLU A 30 1.483 -15.619 -1.490 1.00 0.00 C ATOM 426 C GLU A 30 2.128 -14.806 -0.358 1.00 0.00 C ATOM 427 O GLU A 30 2.375 -15.348 0.719 1.00 0.00 O ATOM 428 CB GLU A 30 2.568 -16.288 -2.360 1.00 0.00 C ATOM 429 CG GLU A 30 2.104 -16.796 -3.742 1.00 0.00 C ATOM 430 CD GLU A 30 1.004 -17.859 -3.668 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.199 -17.512 -3.593 1.00 0.00 O ATOM 432 OE2 GLU A 30 1.335 -19.065 -3.716 1.00 0.00 O ATOM 0 H GLU A 30 1.164 -14.336 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 30 0.859 -16.394 -1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.378 -15.574 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.983 -17.129 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.742 -15.951 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.961 -17.209 -4.274 1.00 0.00 H new ATOM 439 N LEU A 31 2.388 -13.508 -0.572 1.00 0.00 N ATOM 440 CA LEU A 31 3.011 -12.605 0.366 1.00 0.00 C ATOM 441 C LEU A 31 2.084 -12.218 1.514 1.00 0.00 C ATOM 442 O LEU A 31 2.535 -12.204 2.662 1.00 0.00 O ATOM 443 CB LEU A 31 3.473 -11.381 -0.432 1.00 0.00 C ATOM 444 CG LEU A 31 4.604 -11.703 -1.433 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.708 -10.614 -2.501 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.922 -11.890 -0.689 1.00 0.00 C ATOM 0 H LEU A 31 2.152 -13.051 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 31 3.858 -13.095 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.623 -10.966 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.816 -10.612 0.260 1.00 0.00 H new ATOM 0 HG LEU A 31 4.370 -12.637 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.511 -10.861 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.766 -10.547 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.922 -9.657 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.714 -12.117 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.169 -10.975 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.826 -12.712 0.020 1.00 0.00 H new ATOM 458 N LEU A 32 0.831 -11.837 1.238 1.00 0.00 N ATOM 459 CA LEU A 32 -0.101 -11.469 2.304 1.00 0.00 C ATOM 460 C LEU A 32 -0.553 -12.758 2.991 1.00 0.00 C ATOM 461 O LEU A 32 -1.021 -13.666 2.302 1.00 0.00 O ATOM 462 CB LEU A 32 -1.344 -10.708 1.809 1.00 0.00 C ATOM 463 CG LEU A 32 -1.116 -9.515 0.856 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.133 -9.917 -0.618 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.219 -8.478 1.052 1.00 0.00 C ATOM 0 H LEU A 32 0.445 -11.777 0.296 1.00 0.00 H new ATOM 0 HA LEU A 32 0.423 -10.794 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.997 -11.421 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.885 -10.343 2.682 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.131 -9.117 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.967 -9.036 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.344 -10.646 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.099 -10.357 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.053 -7.638 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.187 -8.931 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.206 -8.123 2.083 1.00 0.00 H new ATOM 477 N VAL A 33 -0.470 -12.834 4.320 1.00 0.00 N ATOM 478 CA VAL A 33 -0.868 -14.026 5.078 1.00 0.00 C ATOM 479 C VAL A 33 -1.811 -13.667 6.228 1.00 0.00 C ATOM 480 O VAL A 33 -2.662 -14.491 6.587 1.00 0.00 O ATOM 481 CB VAL A 33 0.387 -14.778 5.586 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.053 -16.119 6.259 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.367 -15.092 4.448 1.00 0.00 C ATOM 0 H VAL A 33 -0.125 -12.072 4.903 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.418 -14.690 4.412 1.00 0.00 H new ATOM 0 HB VAL A 33 0.834 -14.099 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.974 -16.598 6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.597 -15.944 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.455 -16.768 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.233 -15.620 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.873 -15.717 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.693 -14.162 3.981 1.00 0.00 H new ATOM 493 N HIS A 34 -1.745 -12.440 6.758 1.00 0.00 N ATOM 494 CA HIS A 34 -2.577 -12.014 7.874 1.00 0.00 C ATOM 495 C HIS A 34 -3.378 -10.757 7.555 1.00 0.00 C ATOM 496 O HIS A 34 -2.950 -9.915 6.766 1.00 0.00 O ATOM 497 CB HIS A 34 -1.648 -11.824 9.081 1.00 0.00 C ATOM 498 CG HIS A 34 -0.945 -13.112 9.441 1.00 0.00 C ATOM 499 ND1 HIS A 34 -1.571 -14.305 9.715 1.00 0.00 N ATOM 500 CD2 HIS A 34 0.401 -13.351 9.386 1.00 0.00 C ATOM 501 CE1 HIS A 34 -0.624 -15.253 9.817 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.598 -14.707 9.677 1.00 0.00 N ATOM 0 H HIS A 34 -1.109 -11.718 6.419 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.329 -12.772 8.093 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.909 -11.055 8.856 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.226 -11.472 9.935 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.170 -12.627 9.160 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.816 -16.302 9.987 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.494 -15.187 9.766 1.00 0.00 H new ATOM 510 N SER A 35 -4.555 -10.616 8.168 1.00 0.00 N ATOM 511 CA SER A 35 -5.405 -9.456 7.953 1.00 0.00 C ATOM 512 C SER A 35 -4.637 -8.215 8.401 1.00 0.00 C ATOM 513 O SER A 35 -4.080 -8.210 9.500 1.00 0.00 O ATOM 514 CB SER A 35 -6.706 -9.583 8.740 1.00 0.00 C ATOM 515 OG SER A 35 -7.483 -10.679 8.287 1.00 0.00 O ATOM 0 H SER A 35 -4.938 -11.299 8.821 1.00 0.00 H new ATOM 0 HA SER A 35 -5.664 -9.381 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.481 -9.708 9.799 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.282 -8.663 8.643 1.00 0.00 H new ATOM 0 HG SER A 35 -8.309 -10.734 8.812 1.00 0.00 H new ATOM 521 N GLY A 36 -4.613 -7.152 7.597 1.00 0.00 N ATOM 522 CA GLY A 36 -3.899 -5.935 7.925 1.00 0.00 C ATOM 523 C GLY A 36 -2.610 -5.838 7.126 1.00 0.00 C ATOM 524 O GLY A 36 -2.054 -4.736 7.046 1.00 0.00 O ATOM 0 H GLY A 36 -5.093 -7.119 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.529 -5.070 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.674 -5.915 8.991 1.00 0.00 H new ATOM 528 N ASP A 37 -2.152 -6.953 6.548 1.00 0.00 N ATOM 529 CA ASP A 37 -0.953 -7.026 5.730 1.00 0.00 C ATOM 530 C ASP A 37 -1.263 -6.257 4.452 1.00 0.00 C ATOM 531 O ASP A 37 -2.274 -6.546 3.814 1.00 0.00 O ATOM 532 CB ASP A 37 -0.626 -8.471 5.278 1.00 0.00 C ATOM 533 CG ASP A 37 0.079 -9.384 6.287 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.426 -8.937 7.408 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.357 -10.551 5.906 1.00 0.00 O ATOM 0 H ASP A 37 -2.624 -7.852 6.644 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.116 -6.639 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.559 -8.951 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.003 -8.412 4.385 1.00 0.00 H new ATOM 540 N PHE A 38 -0.418 -5.311 4.056 1.00 0.00 N ATOM 541 CA PHE A 38 -0.536 -4.529 2.836 1.00 0.00 C ATOM 542 C PHE A 38 0.811 -4.514 2.110 1.00 0.00 C ATOM 543 O PHE A 38 1.863 -4.730 2.709 1.00 0.00 O ATOM 544 CB PHE A 38 -1.025 -3.099 3.119 1.00 0.00 C ATOM 545 CG PHE A 38 0.003 -2.130 3.666 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.232 -2.039 5.050 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.729 -1.306 2.783 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.190 -1.132 5.539 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.662 -0.381 3.282 1.00 0.00 C ATOM 550 CZ PHE A 38 1.889 -0.293 4.660 1.00 0.00 C ATOM 0 H PHE A 38 0.405 -5.059 4.604 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.285 -4.997 2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.425 -2.686 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.852 -3.155 3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.325 -2.662 5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.568 -1.386 1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.388 -1.082 6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.203 0.261 2.603 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.602 0.421 5.046 1.00 0.00 H new ATOM 560 N LEU A 39 0.790 -4.253 0.805 1.00 0.00 N ATOM 561 CA LEU A 39 1.953 -4.159 -0.074 1.00 0.00 C ATOM 562 C LEU A 39 1.543 -3.340 -1.290 1.00 0.00 C ATOM 563 O LEU A 39 0.344 -3.118 -1.518 1.00 0.00 O ATOM 564 CB LEU A 39 2.525 -5.545 -0.488 1.00 0.00 C ATOM 565 CG LEU A 39 1.771 -6.463 -1.490 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.342 -6.685 -1.030 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.730 -5.933 -2.934 1.00 0.00 C ATOM 0 H LEU A 39 -0.085 -4.093 0.306 1.00 0.00 H new ATOM 0 HA LEU A 39 2.766 -3.673 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.517 -5.368 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.661 -6.119 0.428 1.00 0.00 H new ATOM 0 HG LEU A 39 2.340 -7.392 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.173 -7.330 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.345 -7.158 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.174 -5.727 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.185 -6.636 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.229 -4.965 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.747 -5.822 -3.310 1.00 0.00 H new ATOM 579 N VAL A 40 2.514 -2.924 -2.101 1.00 0.00 N ATOM 580 CA VAL A 40 2.243 -2.169 -3.315 1.00 0.00 C ATOM 581 C VAL A 40 2.985 -2.850 -4.457 1.00 0.00 C ATOM 582 O VAL A 40 4.132 -3.278 -4.311 1.00 0.00 O ATOM 583 CB VAL A 40 2.565 -0.671 -3.162 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.235 0.109 -4.444 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.750 -0.053 -2.012 1.00 0.00 C ATOM 0 H VAL A 40 3.504 -3.101 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 40 1.176 -2.177 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 40 3.632 -0.600 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.475 1.163 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.822 -0.287 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.174 0.006 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.993 1.006 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.686 -0.164 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.993 -0.562 -1.079 1.00 0.00 H new ATOM 595 N ARG A 41 2.282 -3.016 -5.576 1.00 0.00 N ATOM 596 CA ARG A 41 2.795 -3.615 -6.800 1.00 0.00 C ATOM 597 C ARG A 41 2.248 -2.778 -7.944 1.00 0.00 C ATOM 598 O ARG A 41 1.268 -2.048 -7.744 1.00 0.00 O ATOM 599 CB ARG A 41 2.391 -5.099 -6.927 1.00 0.00 C ATOM 600 CG ARG A 41 0.877 -5.347 -6.811 1.00 0.00 C ATOM 601 CD ARG A 41 0.237 -6.019 -8.022 1.00 0.00 C ATOM 602 NE ARG A 41 -1.211 -6.253 -7.815 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.023 -6.826 -8.717 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.529 -7.285 -9.854 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.333 -6.946 -8.504 1.00 0.00 N ATOM 0 H ARG A 41 1.307 -2.726 -5.655 1.00 0.00 H new ATOM 0 HA ARG A 41 3.885 -3.616 -6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.738 -5.479 -7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.903 -5.672 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.692 -5.965 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.380 -4.392 -6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.383 -5.395 -8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.735 -6.969 -8.217 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.618 -5.959 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.531 -7.204 -10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.146 -7.720 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.743 -6.598 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.926 -7.386 -9.208 1.00 0.00 H new ATOM 619 N GLU A 42 2.884 -2.848 -9.102 1.00 0.00 N ATOM 620 CA GLU A 42 2.458 -2.116 -10.285 1.00 0.00 C ATOM 621 C GLU A 42 1.766 -3.140 -11.198 1.00 0.00 C ATOM 622 O GLU A 42 2.099 -4.331 -11.147 1.00 0.00 O ATOM 623 CB GLU A 42 3.662 -1.363 -10.879 1.00 0.00 C ATOM 624 CG GLU A 42 3.240 -0.194 -11.784 1.00 0.00 C ATOM 625 CD GLU A 42 4.275 0.941 -11.873 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.491 0.684 -11.968 1.00 0.00 O ATOM 627 OE2 GLU A 42 3.874 2.130 -11.866 1.00 0.00 O ATOM 0 H GLU A 42 3.717 -3.418 -9.249 1.00 0.00 H new ATOM 0 HA GLU A 42 1.733 -1.326 -10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.285 -0.984 -10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.274 -2.059 -11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.050 -0.576 -12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.300 0.215 -11.415 1.00 0.00 H new ATOM 634 N SER A 43 0.761 -2.715 -11.964 1.00 0.00 N ATOM 635 CA SER A 43 -0.010 -3.560 -12.877 1.00 0.00 C ATOM 636 C SER A 43 0.833 -4.034 -14.078 1.00 0.00 C ATOM 637 O SER A 43 2.063 -3.977 -14.066 1.00 0.00 O ATOM 638 CB SER A 43 -1.310 -2.834 -13.284 1.00 0.00 C ATOM 639 OG SER A 43 -2.272 -3.799 -13.694 1.00 0.00 O ATOM 0 H SER A 43 0.451 -1.743 -11.966 1.00 0.00 H new ATOM 0 HA SER A 43 -0.296 -4.475 -12.359 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.694 -2.252 -12.446 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.111 -2.133 -14.095 1.00 0.00 H new ATOM 0 HG SER A 43 -3.101 -3.345 -13.952 1.00 0.00 H new ATOM 645 N GLN A 44 0.169 -4.636 -15.066 1.00 0.00 N ATOM 646 CA GLN A 44 0.760 -5.142 -16.294 1.00 0.00 C ATOM 647 C GLN A 44 0.285 -4.198 -17.391 1.00 0.00 C ATOM 648 O GLN A 44 -0.893 -3.818 -17.415 1.00 0.00 O ATOM 649 CB GLN A 44 0.332 -6.601 -16.532 1.00 0.00 C ATOM 650 CG GLN A 44 1.122 -7.256 -17.672 1.00 0.00 C ATOM 651 CD GLN A 44 1.072 -8.789 -17.635 1.00 0.00 C ATOM 652 OE1 GLN A 44 2.063 -9.448 -17.944 1.00 0.00 O ATOM 653 NE2 GLN A 44 -0.071 -9.413 -17.377 1.00 0.00 N ATOM 0 H GLN A 44 -0.839 -4.788 -15.025 1.00 0.00 H new ATOM 0 HA GLN A 44 1.849 -5.164 -16.261 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.476 -7.174 -15.616 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.732 -6.633 -16.764 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.727 -6.908 -18.627 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.161 -6.931 -17.620 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.899 -8.875 -17.120 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.121 -10.430 -17.436 1.00 0.00 H new ATOM 662 N GLY A 45 1.183 -3.828 -18.301 1.00 0.00 N ATOM 663 CA GLY A 45 0.900 -2.929 -19.404 1.00 0.00 C ATOM 664 C GLY A 45 0.876 -1.490 -18.893 1.00 0.00 C ATOM 665 O GLY A 45 1.777 -0.705 -19.197 1.00 0.00 O ATOM 0 H GLY A 45 2.149 -4.156 -18.287 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.658 -3.038 -20.180 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.059 -3.182 -19.857 1.00 0.00 H new ATOM 669 N LYS A 46 -0.196 -1.094 -18.204 1.00 0.00 N ATOM 670 CA LYS A 46 -0.316 0.245 -17.647 1.00 0.00 C ATOM 671 C LYS A 46 0.470 0.262 -16.341 1.00 0.00 C ATOM 672 O LYS A 46 0.358 -0.673 -15.543 1.00 0.00 O ATOM 673 CB LYS A 46 -1.792 0.576 -17.377 1.00 0.00 C ATOM 674 CG LYS A 46 -1.927 1.954 -16.710 1.00 0.00 C ATOM 675 CD LYS A 46 -3.360 2.294 -16.314 1.00 0.00 C ATOM 676 CE LYS A 46 -4.222 2.696 -17.510 1.00 0.00 C ATOM 677 NZ LYS A 46 -5.541 3.179 -17.062 1.00 0.00 N ATOM 0 H LYS A 46 -1.000 -1.694 -18.020 1.00 0.00 H new ATOM 0 HA LYS A 46 0.072 0.988 -18.343 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.350 0.564 -18.313 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.230 -0.189 -16.735 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.295 1.984 -15.822 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.555 2.718 -17.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.810 1.433 -15.820 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.349 3.108 -15.589 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.719 3.476 -18.082 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.349 1.843 -18.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.112 3.447 -17.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.027 2.425 -16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.416 4.006 -16.444 1.00 0.00 H new ATOM 691 N GLN A 47 1.248 1.318 -16.116 1.00 0.00 N ATOM 692 CA GLN A 47 2.023 1.481 -14.897 1.00 0.00 C ATOM 693 C GLN A 47 1.054 2.065 -13.862 1.00 0.00 C ATOM 694 O GLN A 47 1.044 3.268 -13.613 1.00 0.00 O ATOM 695 CB GLN A 47 3.226 2.394 -15.170 1.00 0.00 C ATOM 696 CG GLN A 47 4.253 1.773 -16.124 1.00 0.00 C ATOM 697 CD GLN A 47 5.132 2.861 -16.724 1.00 0.00 C ATOM 698 OE1 GLN A 47 4.735 3.504 -17.695 1.00 0.00 O ATOM 699 NE2 GLN A 47 6.306 3.103 -16.166 1.00 0.00 N ATOM 0 H GLN A 47 1.356 2.086 -16.779 1.00 0.00 H new ATOM 0 HA GLN A 47 2.437 0.543 -14.526 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.871 3.335 -15.591 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.715 2.632 -14.225 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.869 1.051 -15.588 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.741 1.229 -16.918 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.611 2.555 -15.362 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.907 3.838 -16.540 1.00 0.00 H new ATOM 708 N GLU A 48 0.185 1.232 -13.298 1.00 0.00 N ATOM 709 CA GLU A 48 -0.820 1.608 -12.309 1.00 0.00 C ATOM 710 C GLU A 48 -0.477 0.919 -10.993 1.00 0.00 C ATOM 711 O GLU A 48 -0.299 -0.303 -10.991 1.00 0.00 O ATOM 712 CB GLU A 48 -2.183 1.159 -12.849 1.00 0.00 C ATOM 713 CG GLU A 48 -3.363 1.436 -11.917 1.00 0.00 C ATOM 714 CD GLU A 48 -4.641 0.861 -12.523 1.00 0.00 C ATOM 715 OE1 GLU A 48 -5.298 1.528 -13.356 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.998 -0.299 -12.220 1.00 0.00 O ATOM 0 H GLU A 48 0.160 0.238 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.847 2.683 -12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.364 1.659 -13.800 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.143 0.089 -13.054 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.180 0.990 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.473 2.509 -11.762 1.00 0.00 H new ATOM 723 N TYR A 49 -0.293 1.679 -9.910 1.00 0.00 N ATOM 724 CA TYR A 49 0.017 1.085 -8.621 1.00 0.00 C ATOM 725 C TYR A 49 -1.270 0.552 -8.005 1.00 0.00 C ATOM 726 O TYR A 49 -2.358 1.105 -8.183 1.00 0.00 O ATOM 727 CB TYR A 49 0.717 2.066 -7.676 1.00 0.00 C ATOM 728 CG TYR A 49 2.128 2.446 -8.078 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.101 1.454 -8.309 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.475 3.801 -8.210 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.391 1.817 -8.730 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.762 4.169 -8.636 1.00 0.00 C ATOM 733 CZ TYR A 49 4.723 3.175 -8.928 1.00 0.00 C ATOM 734 OH TYR A 49 5.965 3.516 -9.375 1.00 0.00 O ATOM 0 H TYR A 49 -0.354 2.697 -9.906 1.00 0.00 H new ATOM 0 HA TYR A 49 0.720 0.267 -8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.117 2.974 -7.610 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.745 1.629 -6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.855 0.413 -8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.747 4.565 -7.982 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.134 1.052 -8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.017 5.213 -8.741 1.00 0.00 H new ATOM 0 HH TYR A 49 6.027 4.491 -9.458 1.00 0.00 H new ATOM 744 N VAL A 50 -1.123 -0.490 -7.198 1.00 0.00 N ATOM 745 CA VAL A 50 -2.218 -1.157 -6.529 1.00 0.00 C ATOM 746 C VAL A 50 -1.840 -1.361 -5.073 1.00 0.00 C ATOM 747 O VAL A 50 -0.731 -1.824 -4.798 1.00 0.00 O ATOM 748 CB VAL A 50 -2.443 -2.526 -7.214 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.690 -3.217 -6.646 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.534 -2.443 -8.745 1.00 0.00 C ATOM 0 H VAL A 50 -0.213 -0.901 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.131 -0.565 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.558 -3.121 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.831 -4.178 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.562 -3.375 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.564 -2.589 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.692 -3.441 -9.155 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.368 -1.799 -9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.607 -2.030 -9.143 1.00 0.00 H new ATOM 760 N LEU A 51 -2.737 -1.028 -4.148 1.00 0.00 N ATOM 761 CA LEU A 51 -2.557 -1.218 -2.719 1.00 0.00 C ATOM 762 C LEU A 51 -3.361 -2.480 -2.446 1.00 0.00 C ATOM 763 O LEU A 51 -4.593 -2.452 -2.455 1.00 0.00 O ATOM 764 CB LEU A 51 -3.125 -0.058 -1.893 1.00 0.00 C ATOM 765 CG LEU A 51 -2.842 -0.180 -0.383 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.348 -0.126 -0.049 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.568 0.943 0.357 1.00 0.00 C ATOM 0 H LEU A 51 -3.635 -0.606 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.503 -1.277 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.703 0.878 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.202 -0.005 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.206 -1.157 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.213 -0.217 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.833 -0.946 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.933 0.823 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.371 0.861 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.211 1.907 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.640 0.863 0.179 1.00 0.00 H new ATOM 779 N SER A 52 -2.703 -3.624 -2.371 1.00 0.00 N ATOM 780 CA SER A 52 -3.408 -4.858 -2.095 1.00 0.00 C ATOM 781 C SER A 52 -3.231 -5.104 -0.615 1.00 0.00 C ATOM 782 O SER A 52 -2.110 -5.053 -0.117 1.00 0.00 O ATOM 783 CB SER A 52 -2.878 -6.041 -2.908 1.00 0.00 C ATOM 784 OG SER A 52 -3.013 -5.789 -4.294 1.00 0.00 O ATOM 0 H SER A 52 -1.695 -3.722 -2.496 1.00 0.00 H new ATOM 0 HA SER A 52 -4.456 -4.766 -2.379 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.830 -6.217 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.424 -6.946 -2.642 1.00 0.00 H new ATOM 0 HG SER A 52 -3.799 -6.263 -4.638 1.00 0.00 H new ATOM 790 N VAL A 53 -4.322 -5.297 0.104 1.00 0.00 N ATOM 791 CA VAL A 53 -4.231 -5.604 1.525 1.00 0.00 C ATOM 792 C VAL A 53 -5.095 -6.827 1.793 1.00 0.00 C ATOM 793 O VAL A 53 -5.976 -7.139 0.995 1.00 0.00 O ATOM 794 CB VAL A 53 -4.489 -4.404 2.443 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.170 -3.035 1.846 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.882 -4.346 2.989 1.00 0.00 C ATOM 0 H VAL A 53 -5.272 -5.248 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.201 -5.849 1.784 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.778 -4.600 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.389 -2.258 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.115 -2.993 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.779 -2.875 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.986 -3.470 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.593 -4.280 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.083 -5.246 3.571 1.00 0.00 H new ATOM 806 N LEU A 54 -4.864 -7.532 2.890 1.00 0.00 N ATOM 807 CA LEU A 54 -5.621 -8.722 3.236 1.00 0.00 C ATOM 808 C LEU A 54 -6.517 -8.429 4.421 1.00 0.00 C ATOM 809 O LEU A 54 -6.138 -7.694 5.330 1.00 0.00 O ATOM 810 CB LEU A 54 -4.618 -9.846 3.508 1.00 0.00 C ATOM 811 CG LEU A 54 -5.215 -11.190 3.946 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.212 -11.762 2.934 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.059 -12.175 4.082 1.00 0.00 C ATOM 0 H LEU A 54 -4.141 -7.292 3.568 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.278 -9.035 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.032 -10.009 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.926 -9.510 4.280 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.755 -11.034 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.598 -12.713 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.037 -11.062 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.711 -11.919 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.443 -13.146 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.552 -12.276 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.354 -11.808 4.828 1.00 0.00 H new ATOM 825 N TRP A 55 -7.715 -8.999 4.408 1.00 0.00 N ATOM 826 CA TRP A 55 -8.710 -8.878 5.452 1.00 0.00 C ATOM 827 C TRP A 55 -9.744 -9.954 5.184 1.00 0.00 C ATOM 828 O TRP A 55 -9.995 -10.247 4.015 1.00 0.00 O ATOM 829 CB TRP A 55 -9.415 -7.529 5.376 1.00 0.00 C ATOM 830 CG TRP A 55 -9.984 -7.073 6.682 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.258 -7.219 7.113 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.286 -6.342 7.727 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.388 -6.634 8.360 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.213 -6.033 8.763 1.00 0.00 C ATOM 835 CE3 TRP A 55 -7.965 -5.881 7.874 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -9.851 -5.262 9.877 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.598 -5.086 8.973 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.544 -4.756 9.958 1.00 0.00 C ATOM 0 H TRP A 55 -8.028 -9.583 3.633 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.238 -8.973 6.430 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.709 -6.780 5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.218 -7.590 4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.049 -7.714 6.569 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.245 -6.646 8.912 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.224 -6.141 7.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.567 -5.061 10.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.583 -4.727 9.061 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.265 -4.112 10.779 1.00 0.00 H new ATOM 849 N ASP A 56 -10.360 -10.524 6.217 1.00 0.00 N ATOM 850 CA ASP A 56 -11.401 -11.545 6.066 1.00 0.00 C ATOM 851 C ASP A 56 -10.990 -12.702 5.134 1.00 0.00 C ATOM 852 O ASP A 56 -11.831 -13.334 4.488 1.00 0.00 O ATOM 853 CB ASP A 56 -12.681 -10.801 5.619 1.00 0.00 C ATOM 854 CG ASP A 56 -13.997 -11.506 5.915 1.00 0.00 C ATOM 855 OD1 ASP A 56 -14.071 -12.341 6.846 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.015 -11.113 5.298 1.00 0.00 O ATOM 0 H ASP A 56 -10.152 -10.291 7.188 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.579 -12.056 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.698 -9.824 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.619 -10.624 4.545 1.00 0.00 H new ATOM 861 N GLY A 57 -9.683 -12.980 5.038 1.00 0.00 N ATOM 862 CA GLY A 57 -9.112 -14.026 4.199 1.00 0.00 C ATOM 863 C GLY A 57 -9.232 -13.734 2.698 1.00 0.00 C ATOM 864 O GLY A 57 -9.037 -14.647 1.895 1.00 0.00 O ATOM 0 H GLY A 57 -8.977 -12.463 5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.060 -14.153 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.610 -14.971 4.419 1.00 0.00 H new ATOM 868 N LEU A 58 -9.534 -12.492 2.300 1.00 0.00 N ATOM 869 CA LEU A 58 -9.692 -12.040 0.922 1.00 0.00 C ATOM 870 C LEU A 58 -8.714 -10.889 0.645 1.00 0.00 C ATOM 871 O LEU A 58 -8.918 -9.806 1.193 1.00 0.00 O ATOM 872 CB LEU A 58 -11.153 -11.583 0.720 1.00 0.00 C ATOM 873 CG LEU A 58 -11.431 -10.795 -0.579 1.00 0.00 C ATOM 874 CD1 LEU A 58 -11.102 -11.596 -1.841 1.00 0.00 C ATOM 875 CD2 LEU A 58 -12.909 -10.384 -0.618 1.00 0.00 C ATOM 0 H LEU A 58 -9.682 -11.738 2.971 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.471 -12.849 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.796 -12.463 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.442 -10.963 1.569 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.781 -9.920 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.317 -10.992 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.046 -11.866 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.708 -12.502 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.108 -9.828 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.535 -11.276 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.135 -9.756 0.244 1.00 0.00 H new ATOM 887 N PRO A 59 -7.663 -11.065 -0.178 1.00 0.00 N ATOM 888 CA PRO A 59 -6.724 -9.994 -0.496 1.00 0.00 C ATOM 889 C PRO A 59 -7.434 -8.924 -1.347 1.00 0.00 C ATOM 890 O PRO A 59 -7.609 -9.075 -2.559 1.00 0.00 O ATOM 891 CB PRO A 59 -5.529 -10.660 -1.184 1.00 0.00 C ATOM 892 CG PRO A 59 -6.131 -11.921 -1.800 1.00 0.00 C ATOM 893 CD PRO A 59 -7.285 -12.289 -0.869 1.00 0.00 C ATOM 0 HA PRO A 59 -6.361 -9.462 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.090 -10.012 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.738 -10.899 -0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.483 -11.737 -2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.396 -12.724 -1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.126 -12.692 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.981 -13.058 -0.159 1.00 0.00 H new ATOM 901 N ARG A 60 -7.954 -7.883 -0.702 1.00 0.00 N ATOM 902 CA ARG A 60 -8.663 -6.760 -1.294 1.00 0.00 C ATOM 903 C ARG A 60 -7.698 -5.893 -2.099 1.00 0.00 C ATOM 904 O ARG A 60 -6.741 -5.349 -1.549 1.00 0.00 O ATOM 905 CB ARG A 60 -9.314 -5.932 -0.174 1.00 0.00 C ATOM 906 CG ARG A 60 -10.472 -6.627 0.567 1.00 0.00 C ATOM 907 CD ARG A 60 -11.737 -6.853 -0.281 1.00 0.00 C ATOM 908 NE ARG A 60 -12.438 -5.590 -0.591 1.00 0.00 N ATOM 909 CZ ARG A 60 -12.246 -4.784 -1.646 1.00 0.00 C ATOM 910 NH1 ARG A 60 -11.460 -5.142 -2.651 1.00 0.00 N ATOM 911 NH2 ARG A 60 -12.865 -3.615 -1.695 1.00 0.00 N ATOM 0 H ARG A 60 -7.885 -7.799 0.312 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.435 -7.130 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.546 -5.666 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.685 -5.000 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.122 -7.591 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.738 -6.029 1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.464 -7.352 -1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.414 -7.520 0.252 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.152 -5.296 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.987 -6.046 -2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.328 -4.514 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.483 -3.333 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.724 -2.996 -2.494 1.00 0.00 H new ATOM 925 N HIS A 61 -7.921 -5.785 -3.409 1.00 0.00 N ATOM 926 CA HIS A 61 -7.095 -4.972 -4.290 1.00 0.00 C ATOM 927 C HIS A 61 -7.732 -3.584 -4.387 1.00 0.00 C ATOM 928 O HIS A 61 -8.891 -3.492 -4.802 1.00 0.00 O ATOM 929 CB HIS A 61 -7.020 -5.599 -5.692 1.00 0.00 C ATOM 930 CG HIS A 61 -6.422 -6.982 -5.750 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.163 -7.351 -5.327 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.016 -8.083 -6.299 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.003 -8.653 -5.616 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.101 -9.140 -6.223 1.00 0.00 N ATOM 0 H HIS A 61 -8.685 -6.263 -3.887 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.083 -4.908 -3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.027 -5.639 -6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.435 -4.941 -6.335 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.011 -8.130 -6.716 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.117 -9.229 -5.392 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.239 -10.092 -6.561 1.00 0.00 H new ATOM 942 N PHE A 62 -6.999 -2.526 -4.043 1.00 0.00 N ATOM 943 CA PHE A 62 -7.465 -1.145 -4.107 1.00 0.00 C ATOM 944 C PHE A 62 -6.557 -0.424 -5.106 1.00 0.00 C ATOM 945 O PHE A 62 -5.366 -0.241 -4.857 1.00 0.00 O ATOM 946 CB PHE A 62 -7.451 -0.505 -2.712 1.00 0.00 C ATOM 947 CG PHE A 62 -8.348 -1.181 -1.685 1.00 0.00 C ATOM 948 CD1 PHE A 62 -9.716 -0.855 -1.614 1.00 0.00 C ATOM 949 CD2 PHE A 62 -7.809 -2.108 -0.771 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.530 -1.426 -0.617 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.619 -2.654 0.241 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.977 -2.305 0.333 1.00 0.00 C ATOM 0 H PHE A 62 -6.041 -2.610 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.500 -1.079 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.428 -0.509 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.752 0.538 -2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.142 -0.165 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.772 -2.400 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.583 -1.189 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.194 -3.347 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.591 -2.708 1.125 1.00 0.00 H new ATOM 962 N ILE A 63 -7.089 -0.100 -6.284 1.00 0.00 N ATOM 963 CA ILE A 63 -6.385 0.586 -7.360 1.00 0.00 C ATOM 964 C ILE A 63 -6.058 1.997 -6.875 1.00 0.00 C ATOM 965 O ILE A 63 -6.965 2.693 -6.413 1.00 0.00 O ATOM 966 CB ILE A 63 -7.280 0.609 -8.623 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.483 -0.798 -9.235 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.650 1.494 -9.713 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.277 -1.805 -8.394 1.00 0.00 C ATOM 0 H ILE A 63 -8.057 -0.317 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.459 0.074 -7.622 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.244 1.002 -8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.988 -0.683 -10.194 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.501 -1.225 -9.441 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.292 1.499 -10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.541 2.512 -9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.670 1.099 -9.981 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.350 -2.751 -8.931 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.769 -1.966 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.278 -1.415 -8.209 1.00 0.00 H new ATOM 981 N ILE A 64 -4.786 2.400 -6.932 1.00 0.00 N ATOM 982 CA ILE A 64 -4.387 3.734 -6.508 1.00 0.00 C ATOM 983 C ILE A 64 -4.817 4.667 -7.641 1.00 0.00 C ATOM 984 O ILE A 64 -4.363 4.524 -8.779 1.00 0.00 O ATOM 985 CB ILE A 64 -2.890 3.827 -6.146 1.00 0.00 C ATOM 986 CG1 ILE A 64 -2.551 2.730 -5.104 1.00 0.00 C ATOM 987 CG2 ILE A 64 -2.582 5.240 -5.608 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.156 2.821 -4.480 1.00 0.00 C ATOM 0 H ILE A 64 -4.019 1.818 -7.268 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.872 4.022 -5.575 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.271 3.661 -7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.291 2.772 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.653 1.756 -5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.525 5.309 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.819 5.980 -6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.184 5.430 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.023 2.008 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.401 2.744 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.049 3.776 -3.966 1.00 0.00 H new ATOM 1000 N GLN A 65 -5.746 5.565 -7.335 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.318 6.536 -8.260 1.00 0.00 C ATOM 1002 C GLN A 65 -5.426 7.778 -8.286 1.00 0.00 C ATOM 1003 O GLN A 65 -4.914 8.172 -7.241 1.00 0.00 O ATOM 1004 CB GLN A 65 -7.762 6.858 -7.823 1.00 0.00 C ATOM 1005 CG GLN A 65 -8.536 5.591 -7.401 1.00 0.00 C ATOM 1006 CD GLN A 65 -10.034 5.815 -7.238 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -10.479 6.706 -6.524 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -10.855 4.992 -7.872 1.00 0.00 N ATOM 0 H GLN A 65 -6.138 5.639 -6.396 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.362 6.137 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.740 7.563 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.288 7.348 -8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.373 4.812 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.128 5.223 -6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.478 4.252 -8.465 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.864 5.098 -7.768 1.00 0.00 H new ATOM 1017 N SER A 66 -5.278 8.426 -9.444 1.00 0.00 N ATOM 1018 CA SER A 66 -4.459 9.615 -9.667 1.00 0.00 C ATOM 1019 C SER A 66 -5.339 10.679 -10.319 1.00 0.00 C ATOM 1020 O SER A 66 -5.668 10.559 -11.503 1.00 0.00 O ATOM 1021 CB SER A 66 -3.257 9.229 -10.547 1.00 0.00 C ATOM 1022 OG SER A 66 -3.670 8.538 -11.714 1.00 0.00 O ATOM 0 H SER A 66 -5.751 8.118 -10.293 1.00 0.00 H new ATOM 0 HA SER A 66 -4.067 10.020 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.708 10.127 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.572 8.603 -9.975 1.00 0.00 H new ATOM 0 HG SER A 66 -4.483 8.953 -12.070 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.725 11.726 -9.585 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.599 12.763 -10.123 1.00 0.00 C ATOM 1030 C LEU A 67 -6.091 14.174 -9.859 1.00 0.00 C ATOM 1031 O LEU A 67 -5.539 14.794 -10.768 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.060 12.538 -9.681 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.296 12.135 -8.206 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.669 12.644 -7.777 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -8.263 10.613 -7.989 1.00 0.00 C ATOM 0 H LEU A 67 -5.444 11.875 -8.616 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.580 12.671 -11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.617 13.455 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.490 11.764 -10.316 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.491 12.574 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.851 12.368 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.702 13.729 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.436 12.199 -8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.435 10.392 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.041 10.143 -8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.290 10.224 -8.287 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.263 14.726 -8.661 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.838 16.082 -8.302 1.00 0.00 C ATOM 1049 C ASP A 68 -4.356 16.177 -7.943 1.00 0.00 C ATOM 1050 O ASP A 68 -3.974 16.991 -7.108 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.766 16.685 -7.236 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.863 15.928 -5.910 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -7.313 14.758 -5.938 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -6.703 16.561 -4.845 1.00 0.00 O ATOM 0 H ASP A 68 -6.713 14.232 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.938 16.697 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.430 17.700 -7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.768 16.762 -7.659 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.505 15.397 -8.621 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.052 15.331 -8.389 1.00 0.00 C ATOM 1061 C ASN A 69 -1.752 14.873 -6.949 1.00 0.00 C ATOM 1062 O ASN A 69 -0.704 15.159 -6.358 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.350 16.627 -8.816 1.00 0.00 C ATOM 1064 CG ASN A 69 0.067 16.384 -9.344 1.00 0.00 C ATOM 1065 OD1 ASN A 69 0.899 15.721 -8.736 1.00 0.00 O ATOM 1066 ND2 ASN A 69 0.391 16.948 -10.497 1.00 0.00 N ATOM 0 H ASN A 69 -3.815 14.776 -9.368 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.620 14.566 -9.034 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.942 17.119 -9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.305 17.308 -7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.330 16.830 -10.876 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.299 17.501 -11.006 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.736 14.175 -6.377 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.782 13.565 -5.067 1.00 0.00 C ATOM 1075 C LEU A 70 -3.464 12.226 -5.321 1.00 0.00 C ATOM 1076 O LEU A 70 -4.375 12.149 -6.157 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.637 14.360 -4.059 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.921 15.526 -3.356 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.959 16.826 -4.153 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.586 15.812 -2.015 1.00 0.00 C ATOM 0 H LEU A 70 -3.607 14.012 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.783 13.505 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.509 14.754 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.005 13.671 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.884 15.210 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.436 17.607 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.473 16.676 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.995 17.125 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.073 16.639 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.631 16.077 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.530 14.925 -1.385 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.019 11.169 -4.646 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.629 9.856 -4.800 1.00 0.00 C ATOM 1094 C TYR A 71 -4.543 9.654 -3.601 1.00 0.00 C ATOM 1095 O TYR A 71 -4.162 10.018 -2.487 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.575 8.758 -4.799 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.408 8.925 -5.753 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.583 8.865 -7.148 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.125 9.146 -5.223 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.484 9.034 -8.012 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.975 9.297 -6.077 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.804 9.233 -7.473 1.00 0.00 C ATOM 1103 OH TYR A 71 1.885 9.310 -8.290 1.00 0.00 O ATOM 0 H TYR A 71 -2.239 11.198 -3.989 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.169 9.806 -5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.177 8.671 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.069 7.814 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.566 8.688 -7.558 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.013 9.200 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.627 9.011 -9.082 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.958 9.463 -5.663 1.00 0.00 H new ATOM 0 HH TYR A 71 2.692 9.450 -7.752 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.726 9.072 -3.790 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.704 8.827 -2.725 1.00 0.00 C ATOM 1115 C ARG A 72 -7.666 7.708 -3.111 1.00 0.00 C ATOM 1116 O ARG A 72 -7.688 7.327 -4.282 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.453 10.120 -2.405 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.417 10.581 -3.497 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.700 12.072 -3.330 1.00 0.00 C ATOM 1120 NE ARG A 72 -9.885 12.442 -4.101 1.00 0.00 N ATOM 1121 CZ ARG A 72 -11.138 12.535 -3.633 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -11.415 12.260 -2.363 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -12.133 12.916 -4.427 1.00 0.00 N ATOM 0 H ARG A 72 -6.040 8.750 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.176 8.502 -1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.012 9.982 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.725 10.911 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.988 10.389 -4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.347 10.015 -3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.853 12.306 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.841 12.654 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.746 12.649 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.669 11.973 -1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.373 12.335 -2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.948 13.142 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.082 12.983 -4.059 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.474 7.224 -2.164 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.433 6.139 -2.397 1.00 0.00 C ATOM 1139 C LEU A 73 -10.874 6.553 -2.088 1.00 0.00 C ATOM 1140 O LEU A 73 -11.705 6.671 -2.992 1.00 0.00 O ATOM 1141 CB LEU A 73 -9.016 4.875 -1.603 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.820 3.596 -2.435 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -10.058 3.231 -3.256 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -7.600 3.690 -3.353 1.00 0.00 C ATOM 0 H LEU A 73 -8.482 7.576 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.411 5.902 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.086 5.090 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.773 4.680 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.651 2.800 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.863 2.321 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.903 3.068 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.291 4.044 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.500 2.765 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.725 4.527 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.704 3.845 -2.752 1.00 0.00 H new ATOM 1156 N GLU A 74 -11.178 6.810 -0.814 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.500 7.196 -0.305 1.00 0.00 C ATOM 1158 C GLU A 74 -12.365 8.306 0.760 1.00 0.00 C ATOM 1159 O GLU A 74 -13.102 8.357 1.751 1.00 0.00 O ATOM 1160 CB GLU A 74 -13.213 5.937 0.238 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.960 5.081 -0.795 1.00 0.00 C ATOM 1162 CD GLU A 74 -15.350 5.623 -1.140 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -15.643 6.811 -0.896 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -16.189 4.848 -1.660 1.00 0.00 O ATOM 0 H GLU A 74 -10.479 6.753 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.109 7.611 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.471 5.309 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.924 6.249 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.365 5.022 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.059 4.065 -0.412 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.380 9.186 0.596 1.00 0.00 N ATOM 1172 CA GLY A 75 -11.091 10.291 1.497 1.00 0.00 C ATOM 1173 C GLY A 75 -9.997 11.156 0.896 1.00 0.00 C ATOM 1174 O GLY A 75 -9.849 11.178 -0.328 1.00 0.00 O ATOM 0 H GLY A 75 -10.740 9.145 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.990 10.885 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.777 9.910 2.469 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.271 11.871 1.750 1.00 0.00 N ATOM 1179 CA GLU A 76 -8.166 12.752 1.388 1.00 0.00 C ATOM 1180 C GLU A 76 -7.054 11.959 0.701 1.00 0.00 C ATOM 1181 O GLU A 76 -7.025 10.722 0.725 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.602 13.395 2.667 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.497 14.520 3.190 1.00 0.00 C ATOM 1184 CD GLU A 76 -8.287 14.710 4.689 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -7.354 15.442 5.083 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -9.097 14.153 5.476 1.00 0.00 O ATOM 0 H GLU A 76 -9.444 11.851 2.755 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.532 13.518 0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.492 12.632 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.606 13.789 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.272 15.448 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.542 14.285 2.989 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.121 12.684 0.089 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.995 12.105 -0.594 1.00 0.00 C ATOM 1195 C GLY A 77 -3.715 12.783 -0.174 1.00 0.00 C ATOM 1196 O GLY A 77 -3.691 13.644 0.711 1.00 0.00 O ATOM 0 H GLY A 77 -6.137 13.703 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.938 11.039 -0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.127 12.201 -1.672 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.635 12.393 -0.839 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.309 12.930 -0.611 1.00 0.00 C ATOM 1202 C PHE A 78 -0.525 12.911 -1.922 1.00 0.00 C ATOM 1203 O PHE A 78 -0.848 12.116 -2.808 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.584 12.066 0.422 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.969 12.313 1.866 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.074 11.650 2.423 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.196 13.170 2.674 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.378 11.789 3.786 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.483 13.294 4.043 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.563 12.593 4.600 1.00 0.00 C ATOM 0 H PHE A 78 -2.662 11.679 -1.567 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.387 13.953 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.771 11.018 0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.489 12.229 0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.696 11.027 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.618 13.732 2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.233 11.281 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.128 13.929 4.667 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.768 12.672 5.657 1.00 0.00 H new ATOM 1220 N PRO A 79 0.563 13.694 -2.029 1.00 0.00 N ATOM 1221 CA PRO A 79 1.396 13.758 -3.225 1.00 0.00 C ATOM 1222 C PRO A 79 2.171 12.465 -3.514 1.00 0.00 C ATOM 1223 O PRO A 79 2.838 12.395 -4.548 1.00 0.00 O ATOM 1224 CB PRO A 79 2.373 14.914 -2.974 1.00 0.00 C ATOM 1225 CG PRO A 79 2.454 14.996 -1.454 1.00 0.00 C ATOM 1226 CD PRO A 79 1.026 14.668 -1.048 1.00 0.00 C ATOM 0 HA PRO A 79 0.766 13.905 -4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.349 14.716 -3.417 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.010 15.846 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.170 14.283 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.759 15.986 -1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.988 14.259 -0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.400 15.560 -1.054 1.00 0.00 H new ATOM 1234 N SER A 80 2.200 11.486 -2.606 1.00 0.00 N ATOM 1235 CA SER A 80 2.909 10.232 -2.842 1.00 0.00 C ATOM 1236 C SER A 80 2.212 9.099 -2.106 1.00 0.00 C ATOM 1237 O SER A 80 1.463 9.323 -1.150 1.00 0.00 O ATOM 1238 CB SER A 80 4.390 10.318 -2.450 1.00 0.00 C ATOM 1239 OG SER A 80 5.155 9.447 -3.267 1.00 0.00 O ATOM 0 H SER A 80 1.738 11.541 -1.698 1.00 0.00 H new ATOM 0 HA SER A 80 2.884 10.030 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.746 11.342 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.514 10.050 -1.401 1.00 0.00 H new ATOM 0 HG SER A 80 6.100 9.507 -3.014 1.00 0.00 H new ATOM 1245 N ILE A 81 2.453 7.874 -2.564 1.00 0.00 N ATOM 1246 CA ILE A 81 1.889 6.667 -1.997 1.00 0.00 C ATOM 1247 C ILE A 81 2.332 6.516 -0.528 1.00 0.00 C ATOM 1248 O ILE A 81 1.447 6.369 0.314 1.00 0.00 O ATOM 1249 CB ILE A 81 2.177 5.426 -2.882 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.537 5.532 -4.291 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.617 4.149 -2.227 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.338 6.348 -5.306 1.00 0.00 C ATOM 0 H ILE A 81 3.063 7.696 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 81 0.802 6.748 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 81 3.262 5.382 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.397 4.526 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.547 5.976 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.830 3.290 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.086 4.004 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.539 4.248 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.809 6.363 -6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.457 7.368 -4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.320 5.895 -5.443 1.00 0.00 H new ATOM 1264 N PRO A 82 3.633 6.603 -0.172 1.00 0.00 N ATOM 1265 CA PRO A 82 4.054 6.435 1.218 1.00 0.00 C ATOM 1266 C PRO A 82 3.428 7.459 2.168 1.00 0.00 C ATOM 1267 O PRO A 82 3.111 7.127 3.310 1.00 0.00 O ATOM 1268 CB PRO A 82 5.584 6.495 1.229 1.00 0.00 C ATOM 1269 CG PRO A 82 5.966 7.118 -0.105 1.00 0.00 C ATOM 1270 CD PRO A 82 4.800 6.787 -1.027 1.00 0.00 C ATOM 0 HA PRO A 82 3.701 5.475 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.949 7.095 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.017 5.501 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.107 8.195 -0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.901 6.705 -0.483 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.632 7.591 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.005 5.884 -1.602 1.00 0.00 H new ATOM 1278 N LEU A 83 3.218 8.691 1.688 1.00 0.00 N ATOM 1279 CA LEU A 83 2.623 9.778 2.460 1.00 0.00 C ATOM 1280 C LEU A 83 1.202 9.409 2.917 1.00 0.00 C ATOM 1281 O LEU A 83 0.828 9.714 4.048 1.00 0.00 O ATOM 1282 CB LEU A 83 2.611 11.066 1.615 1.00 0.00 C ATOM 1283 CG LEU A 83 3.797 12.037 1.742 1.00 0.00 C ATOM 1284 CD1 LEU A 83 3.824 12.691 3.123 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.142 11.390 1.415 1.00 0.00 C ATOM 0 H LEU A 83 3.463 8.960 0.735 1.00 0.00 H new ATOM 0 HA LEU A 83 3.224 9.948 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.531 10.775 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.703 11.617 1.863 1.00 0.00 H new ATOM 0 HG LEU A 83 3.640 12.812 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.672 13.373 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.899 13.246 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.920 11.921 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.937 12.128 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.322 10.560 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.128 11.020 0.390 1.00 0.00 H new ATOM 1297 N LEU A 84 0.406 8.788 2.041 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.965 8.370 2.353 1.00 0.00 C ATOM 1299 C LEU A 84 -0.927 7.140 3.238 1.00 0.00 C ATOM 1300 O LEU A 84 -1.641 7.090 4.232 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.738 8.124 1.045 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.205 7.635 1.056 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.310 6.125 1.311 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -4.103 8.432 2.006 1.00 0.00 C ATOM 0 H LEU A 84 0.696 8.560 1.090 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.488 9.154 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.719 9.059 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.165 7.396 0.470 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.584 7.824 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.359 5.828 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.779 5.586 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.867 5.888 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.118 8.037 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.722 8.347 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.109 9.480 1.707 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.094 6.149 2.902 1.00 0.00 N ATOM 1317 CA ILE A 85 0.020 4.914 3.671 1.00 0.00 C ATOM 1318 C ILE A 85 0.274 5.250 5.149 1.00 0.00 C ATOM 1319 O ILE A 85 -0.351 4.642 6.016 1.00 0.00 O ATOM 1320 CB ILE A 85 1.073 3.987 3.004 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.457 3.002 1.978 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.884 3.137 3.995 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.564 3.598 1.001 1.00 0.00 C ATOM 0 H ILE A 85 0.519 6.185 2.088 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.910 4.345 3.664 1.00 0.00 H new ATOM 0 HB ILE A 85 1.732 4.699 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.267 2.558 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.025 2.192 2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.596 2.519 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.423 3.792 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.209 2.496 4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.926 2.817 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.402 4.015 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.090 4.386 0.416 1.00 0.00 H new ATOM 1335 N ASP A 86 1.150 6.221 5.426 1.00 0.00 N ATOM 1336 CA ASP A 86 1.483 6.684 6.773 1.00 0.00 C ATOM 1337 C ASP A 86 0.230 7.184 7.486 1.00 0.00 C ATOM 1338 O ASP A 86 -0.007 6.827 8.639 1.00 0.00 O ATOM 1339 CB ASP A 86 2.530 7.802 6.687 1.00 0.00 C ATOM 1340 CG ASP A 86 2.510 8.755 7.891 1.00 0.00 C ATOM 1341 OD1 ASP A 86 2.912 8.367 9.010 1.00 0.00 O ATOM 1342 OD2 ASP A 86 2.141 9.941 7.695 1.00 0.00 O ATOM 0 H ASP A 86 1.660 6.719 4.697 1.00 0.00 H new ATOM 0 HA ASP A 86 1.895 5.853 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.521 7.355 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.362 8.377 5.776 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.589 7.992 6.807 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.809 8.523 7.395 1.00 0.00 C ATOM 1349 C HIS A 87 -2.750 7.377 7.785 1.00 0.00 C ATOM 1350 O HIS A 87 -3.313 7.411 8.878 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.474 9.512 6.420 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.761 10.145 6.905 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.995 11.491 7.101 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.943 9.496 7.143 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -5.279 11.639 7.463 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.896 10.450 7.514 1.00 0.00 N ATOM 0 H HIS A 87 -0.423 8.290 5.846 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.568 9.070 8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.762 10.306 6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.677 8.991 5.484 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.110 8.432 7.059 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.750 12.586 7.683 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.867 10.276 7.772 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.939 6.375 6.920 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.833 5.238 7.182 1.00 0.00 C ATOM 1366 C LEU A 88 -3.353 4.428 8.363 1.00 0.00 C ATOM 1367 O LEU A 88 -4.138 4.106 9.248 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.979 4.334 5.949 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.127 4.799 5.047 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.903 6.232 4.589 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.267 3.891 3.825 1.00 0.00 C ATOM 0 H LEU A 88 -2.474 6.328 6.013 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.813 5.653 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.047 4.334 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.158 3.307 6.268 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.046 4.748 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.729 6.543 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.850 6.888 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.969 6.294 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.089 4.244 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.341 3.910 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.471 2.871 4.151 1.00 0.00 H new ATOM 1383 N LEU A 89 -2.077 4.070 8.350 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.428 3.309 9.405 1.00 0.00 C ATOM 1385 C LEU A 89 -1.572 4.066 10.732 1.00 0.00 C ATOM 1386 O LEU A 89 -1.933 3.479 11.746 1.00 0.00 O ATOM 1387 CB LEU A 89 0.050 3.180 9.025 1.00 0.00 C ATOM 1388 CG LEU A 89 0.446 1.929 8.227 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.875 2.116 7.704 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.407 0.652 9.071 1.00 0.00 C ATOM 0 H LEU A 89 -1.448 4.308 7.583 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.877 2.323 9.520 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.331 4.058 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.641 3.202 9.941 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.274 1.815 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.172 1.235 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.915 2.995 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.555 2.251 8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.696 -0.200 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.100 0.747 9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.603 0.498 9.452 1.00 0.00 H new ATOM 1402 N SER A 90 -1.342 5.376 10.735 1.00 0.00 N ATOM 1403 CA SER A 90 -1.444 6.190 11.930 1.00 0.00 C ATOM 1404 C SER A 90 -2.894 6.273 12.440 1.00 0.00 C ATOM 1405 O SER A 90 -3.184 5.808 13.543 1.00 0.00 O ATOM 1406 CB SER A 90 -0.826 7.560 11.622 1.00 0.00 C ATOM 1407 OG SER A 90 -0.733 8.348 12.786 1.00 0.00 O ATOM 0 H SER A 90 -1.078 5.900 9.901 1.00 0.00 H new ATOM 0 HA SER A 90 -0.890 5.734 12.750 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.166 7.426 11.190 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.431 8.076 10.877 1.00 0.00 H new ATOM 0 HG SER A 90 -0.334 9.215 12.563 1.00 0.00 H new ATOM 1413 N THR A 91 -3.808 6.835 11.645 1.00 0.00 N ATOM 1414 CA THR A 91 -5.217 7.030 11.997 1.00 0.00 C ATOM 1415 C THR A 91 -6.055 5.761 12.134 1.00 0.00 C ATOM 1416 O THR A 91 -7.100 5.803 12.781 1.00 0.00 O ATOM 1417 CB THR A 91 -5.890 7.922 10.944 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.836 7.340 9.656 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.245 9.299 10.845 1.00 0.00 C ATOM 0 H THR A 91 -3.582 7.177 10.711 1.00 0.00 H new ATOM 0 HA THR A 91 -5.187 7.484 12.988 1.00 0.00 H new ATOM 0 HB THR A 91 -6.923 8.024 11.277 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.923 7.407 9.305 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.760 9.888 10.086 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.318 9.805 11.808 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.196 9.190 10.570 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.599 4.639 11.568 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.297 3.356 11.582 1.00 0.00 C ATOM 1429 C GLN A 92 -7.655 3.460 10.859 1.00 0.00 C ATOM 1430 O GLN A 92 -8.585 2.689 11.124 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.353 2.755 13.002 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.981 2.267 13.492 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.482 1.064 12.696 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -5.111 0.011 12.703 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.359 1.180 12.003 1.00 0.00 N ATOM 0 H GLN A 92 -4.708 4.601 11.074 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.724 2.630 11.005 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.737 3.504 13.695 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.056 1.922 13.012 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.258 3.079 13.412 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.047 2.001 14.547 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.846 2.062 12.006 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.007 0.388 11.466 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.785 4.421 9.935 1.00 0.00 N ATOM 1445 CA GLN A 93 -9.010 4.604 9.178 1.00 0.00 C ATOM 1446 C GLN A 93 -9.249 3.396 8.257 1.00 0.00 C ATOM 1447 O GLN A 93 -8.288 2.776 7.784 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.967 5.908 8.357 1.00 0.00 C ATOM 1449 CG GLN A 93 -7.927 5.958 7.225 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.343 6.893 6.095 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.563 6.470 4.967 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -8.480 8.178 6.359 1.00 0.00 N ATOM 0 H GLN A 93 -7.046 5.083 9.700 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.838 4.680 9.883 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.954 6.074 7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.774 6.737 9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.969 6.285 7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.779 4.954 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.296 8.528 7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.770 8.822 5.623 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.510 3.049 7.960 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.796 1.945 7.072 1.00 0.00 C ATOM 1463 C PRO A 94 -10.619 2.467 5.649 1.00 0.00 C ATOM 1464 O PRO A 94 -11.158 3.520 5.291 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.217 1.504 7.393 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.878 2.782 7.904 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.740 3.661 8.430 1.00 0.00 C ATOM 0 HA PRO A 94 -10.140 1.082 7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.725 1.114 6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.233 0.715 8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.424 3.286 7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.598 2.561 8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.833 4.682 8.061 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.759 3.713 9.519 1.00 0.00 H new ATOM 1475 N LEU A 95 -9.916 1.679 4.837 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.571 1.944 3.444 1.00 0.00 C ATOM 1477 C LEU A 95 -10.718 2.452 2.579 1.00 0.00 C ATOM 1478 O LEU A 95 -10.480 3.258 1.681 1.00 0.00 O ATOM 1479 CB LEU A 95 -8.941 0.683 2.817 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.409 0.780 2.791 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -6.786 -0.591 2.543 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.957 1.741 1.687 1.00 0.00 C ATOM 0 H LEU A 95 -9.550 0.782 5.156 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.855 2.765 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.242 -0.197 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.317 0.552 1.802 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.079 1.154 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.700 -0.500 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.082 -1.275 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.130 -0.979 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.869 1.801 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.307 1.376 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.373 2.731 1.873 1.00 0.00 H new ATOM 1494 N THR A 96 -11.927 1.920 2.758 1.00 0.00 N ATOM 1495 CA THR A 96 -13.098 2.338 2.000 1.00 0.00 C ATOM 1496 C THR A 96 -14.278 2.253 2.968 1.00 0.00 C ATOM 1497 O THR A 96 -14.410 1.236 3.645 1.00 0.00 O ATOM 1498 CB THR A 96 -13.266 1.488 0.717 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.132 0.106 0.985 1.00 0.00 O ATOM 1500 CG2 THR A 96 -12.217 1.795 -0.360 1.00 0.00 C ATOM 0 H THR A 96 -12.119 1.184 3.437 1.00 0.00 H new ATOM 0 HA THR A 96 -13.011 3.359 1.628 1.00 0.00 H new ATOM 0 HB THR A 96 -14.264 1.745 0.361 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.401 -0.408 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.394 1.164 -1.231 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.290 2.843 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.221 1.596 0.035 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.158 3.260 2.985 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.336 3.386 3.850 1.00 0.00 C ATOM 1510 C LYS A 97 -17.103 2.088 4.087 1.00 0.00 C ATOM 1511 O LYS A 97 -17.386 1.771 5.238 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.246 4.495 3.283 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.600 4.690 3.992 1.00 0.00 C ATOM 1514 CD LYS A 97 -18.496 5.210 5.434 1.00 0.00 C ATOM 1515 CE LYS A 97 -18.236 6.721 5.498 1.00 0.00 C ATOM 1516 NZ LYS A 97 -19.463 7.522 5.321 1.00 0.00 N ATOM 0 H LYS A 97 -15.061 4.058 2.357 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.977 3.655 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.701 5.438 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.437 4.278 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.203 5.387 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.132 3.739 4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.419 4.981 5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.692 4.684 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.783 6.966 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.515 6.994 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.228 8.534 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.884 7.312 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.143 7.286 6.071 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.476 1.366 3.029 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.230 0.119 3.162 1.00 0.00 C ATOM 1532 C LYS A 98 -17.427 -0.984 3.865 1.00 0.00 C ATOM 1533 O LYS A 98 -18.015 -1.889 4.454 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.756 -0.265 1.766 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.753 -1.435 1.792 1.00 0.00 C ATOM 1536 CD LYS A 98 -19.069 -2.789 1.548 1.00 0.00 C ATOM 1537 CE LYS A 98 -18.697 -3.045 0.083 1.00 0.00 C ATOM 1538 NZ LYS A 98 -19.877 -3.071 -0.806 1.00 0.00 N ATOM 0 H LYS A 98 -17.266 1.626 2.065 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.085 0.261 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.237 0.603 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.913 -0.529 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -20.261 -1.455 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -20.518 -1.275 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.166 -2.843 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.731 -3.585 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.009 -2.269 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.168 -3.995 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.610 -3.476 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.623 -3.653 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.230 -2.102 -0.943 1.00 0.00 H new ATOM 1552 N SER A 99 -16.105 -0.997 3.722 1.00 0.00 N ATOM 1553 CA SER A 99 -15.217 -1.977 4.326 1.00 0.00 C ATOM 1554 C SER A 99 -14.819 -1.585 5.750 1.00 0.00 C ATOM 1555 O SER A 99 -15.037 -0.477 6.236 1.00 0.00 O ATOM 1556 CB SER A 99 -13.935 -2.065 3.477 1.00 0.00 C ATOM 1557 OG SER A 99 -13.958 -3.149 2.569 1.00 0.00 O ATOM 0 H SER A 99 -15.609 -0.302 3.164 1.00 0.00 H new ATOM 0 HA SER A 99 -15.743 -2.931 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.805 -1.135 2.924 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.073 -2.166 4.136 1.00 0.00 H new ATOM 0 HG SER A 99 -13.125 -3.161 2.053 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.119 -2.528 6.372 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.567 -2.454 7.710 1.00 0.00 C ATOM 1565 C GLY A 100 -12.072 -2.768 7.685 1.00 0.00 C ATOM 1566 O GLY A 100 -11.488 -2.999 8.734 1.00 0.00 O ATOM 0 H GLY A 100 -13.912 -3.419 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.730 -1.459 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.083 -3.158 8.363 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.476 -2.828 6.492 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.078 -3.119 6.242 1.00 0.00 C ATOM 1572 C VAL A 101 -9.207 -1.935 6.658 1.00 0.00 C ATOM 1573 O VAL A 101 -9.426 -0.829 6.163 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.921 -3.434 4.742 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.507 -3.922 4.460 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.933 -4.481 4.250 1.00 0.00 C ATOM 0 H VAL A 101 -11.994 -2.664 5.629 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.753 -3.977 6.830 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.117 -2.509 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.403 -4.143 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.792 -3.149 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.311 -4.825 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.778 -4.665 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.794 -5.410 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.946 -4.111 4.410 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.206 -2.164 7.509 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.279 -1.152 8.013 1.00 0.00 C ATOM 1588 C VAL A 102 -5.841 -1.646 7.792 1.00 0.00 C ATOM 1589 O VAL A 102 -5.618 -2.851 7.658 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.570 -0.900 9.511 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.760 0.289 10.025 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.058 -0.626 9.807 1.00 0.00 C ATOM 0 H VAL A 102 -8.012 -3.094 7.879 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.405 -0.209 7.481 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.284 -1.820 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.979 0.449 11.081 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.696 0.085 9.902 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.026 1.182 9.459 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.191 -0.458 10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.382 0.258 9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.655 -1.484 9.497 1.00 0.00 H new ATOM 1602 N LEU A 103 -4.863 -0.739 7.691 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.457 -1.097 7.495 1.00 0.00 C ATOM 1604 C LEU A 103 -2.846 -1.334 8.863 1.00 0.00 C ATOM 1605 O LEU A 103 -2.933 -0.467 9.732 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.634 -0.019 6.767 1.00 0.00 C ATOM 1607 CG LEU A 103 -2.847 0.045 5.240 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.289 0.391 4.858 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -1.908 1.083 4.618 1.00 0.00 C ATOM 0 H LEU A 103 -5.027 0.266 7.743 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.431 -1.984 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.879 0.954 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.577 -0.196 6.964 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.627 -0.950 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.380 0.422 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.963 -0.367 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.552 1.364 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.068 1.119 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.113 2.063 5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.874 0.807 4.822 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.203 -2.488 9.024 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.538 -2.869 10.261 1.00 0.00 C ATOM 1623 C HIS A 104 -0.053 -3.129 10.014 1.00 0.00 C ATOM 1624 O HIS A 104 0.763 -2.777 10.865 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.213 -4.094 10.894 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.583 -3.815 11.461 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.754 -4.482 11.203 1.00 0.00 N flip ATOM 1628 CD2 HIS A 104 -3.858 -2.858 12.408 1.00 0.00 C flip ATOM 1629 CE1 HIS A 104 -5.752 -3.926 12.011 1.00 0.00 C flip ATOM 1630 NE2 HIS A 104 -5.158 -2.951 12.718 1.00 0.00 N flip ATOM 0 H HIS A 104 -2.130 -3.191 8.289 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.626 -2.041 10.964 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.295 -4.880 10.143 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.574 -4.478 11.689 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -3.152 -2.156 12.827 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.790 -4.221 12.057 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -5.633 -2.360 13.400 1.00 0.00 H new ATOM 1638 N ARG A 105 0.333 -3.702 8.865 1.00 0.00 N ATOM 1639 CA ARG A 105 1.744 -3.987 8.596 1.00 0.00 C ATOM 1640 C ARG A 105 2.033 -4.079 7.105 1.00 0.00 C ATOM 1641 O ARG A 105 1.290 -4.721 6.366 1.00 0.00 O ATOM 1642 CB ARG A 105 2.132 -5.318 9.281 1.00 0.00 C ATOM 1643 CG ARG A 105 3.554 -5.765 8.907 1.00 0.00 C ATOM 1644 CD ARG A 105 4.025 -7.021 9.644 1.00 0.00 C ATOM 1645 NE ARG A 105 4.437 -6.781 11.033 1.00 0.00 N ATOM 1646 CZ ARG A 105 5.603 -6.260 11.428 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.439 -5.696 10.566 1.00 0.00 N ATOM 1648 NH2 ARG A 105 5.968 -6.319 12.700 1.00 0.00 N ATOM 0 H ARG A 105 -0.305 -3.973 8.117 1.00 0.00 H new ATOM 0 HA ARG A 105 2.336 -3.164 8.996 1.00 0.00 H new ATOM 0 HB2 ARG A 105 2.061 -5.203 10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.421 -6.093 8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.596 -5.949 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.247 -4.951 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.221 -7.757 9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.861 -7.458 9.098 1.00 0.00 H new ATOM 0 HE ARG A 105 3.772 -7.035 11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.198 -5.653 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.323 -5.306 10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.358 -6.764 13.386 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.859 -5.919 12.994 1.00 0.00 H new ATOM 1662 N ALA A 106 3.132 -3.469 6.676 1.00 0.00 N ATOM 1663 CA ALA A 106 3.582 -3.494 5.294 1.00 0.00 C ATOM 1664 C ALA A 106 4.404 -4.780 5.131 1.00 0.00 C ATOM 1665 O ALA A 106 5.243 -5.046 5.998 1.00 0.00 O ATOM 1666 CB ALA A 106 4.446 -2.261 5.031 1.00 0.00 C ATOM 0 H ALA A 106 3.744 -2.934 7.292 1.00 0.00 H new ATOM 0 HA ALA A 106 2.751 -3.479 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.789 -2.271 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.859 -1.360 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.308 -2.271 5.699 1.00 0.00 H new ATOM 1672 N VAL A 107 4.196 -5.590 4.090 1.00 0.00 N ATOM 1673 CA VAL A 107 4.941 -6.819 3.896 1.00 0.00 C ATOM 1674 C VAL A 107 6.302 -6.433 3.293 1.00 0.00 C ATOM 1675 O VAL A 107 6.315 -5.830 2.219 1.00 0.00 O ATOM 1676 CB VAL A 107 4.127 -7.739 2.972 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.923 -8.995 2.627 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.773 -8.181 3.552 1.00 0.00 C ATOM 0 H VAL A 107 3.505 -5.405 3.363 1.00 0.00 H new ATOM 0 HA VAL A 107 5.112 -7.360 4.826 1.00 0.00 H new ATOM 0 HB VAL A 107 3.926 -7.136 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.330 -9.633 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.846 -8.713 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.163 -9.537 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.264 -8.827 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.936 -8.727 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.158 -7.303 3.750 1.00 0.00 H new ATOM 1688 N PRO A 108 7.437 -6.710 3.959 1.00 0.00 N ATOM 1689 CA PRO A 108 8.748 -6.371 3.432 1.00 0.00 C ATOM 1690 C PRO A 108 9.160 -7.310 2.290 1.00 0.00 C ATOM 1691 O PRO A 108 9.032 -8.533 2.383 1.00 0.00 O ATOM 1692 CB PRO A 108 9.687 -6.461 4.634 1.00 0.00 C ATOM 1693 CG PRO A 108 9.042 -7.513 5.537 1.00 0.00 C ATOM 1694 CD PRO A 108 7.549 -7.398 5.238 1.00 0.00 C ATOM 0 HA PRO A 108 8.769 -5.377 2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.692 -6.757 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.776 -5.501 5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.417 -8.512 5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.254 -7.319 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.085 -8.383 5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.037 -6.842 6.024 1.00 0.00 H new ATOM 1702 N SER A 109 9.714 -6.731 1.223 1.00 0.00 N ATOM 1703 CA SER A 109 10.177 -7.448 0.044 1.00 0.00 C ATOM 1704 C SER A 109 11.504 -8.186 0.289 1.00 0.00 C ATOM 1705 O SER A 109 11.857 -9.077 -0.488 1.00 0.00 O ATOM 1706 CB SER A 109 10.273 -6.453 -1.123 1.00 0.00 C ATOM 1707 OG SER A 109 10.218 -7.107 -2.373 1.00 0.00 O ATOM 0 H SER A 109 9.855 -5.723 1.158 1.00 0.00 H new ATOM 0 HA SER A 109 9.459 -8.229 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.459 -5.731 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.204 -5.891 -1.047 1.00 0.00 H new ATOM 0 HG SER A 109 9.329 -7.500 -2.498 1.00 0.00 H new ATOM 1713 N GLY A 110 12.233 -7.865 1.363 1.00 0.00 N ATOM 1714 CA GLY A 110 13.499 -8.513 1.688 1.00 0.00 C ATOM 1715 C GLY A 110 14.562 -8.219 0.629 1.00 0.00 C ATOM 1716 O GLY A 110 14.451 -7.222 -0.094 1.00 0.00 O ATOM 0 H GLY A 110 11.957 -7.145 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.847 -8.168 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.349 -9.590 1.767 1.00 0.00 H new ATOM 1720 N PRO A 111 15.658 -8.992 0.579 1.00 0.00 N ATOM 1721 CA PRO A 111 16.720 -8.813 -0.396 1.00 0.00 C ATOM 1722 C PRO A 111 16.213 -9.261 -1.769 1.00 0.00 C ATOM 1723 O PRO A 111 16.413 -10.409 -2.171 1.00 0.00 O ATOM 1724 CB PRO A 111 17.882 -9.669 0.110 1.00 0.00 C ATOM 1725 CG PRO A 111 17.188 -10.814 0.846 1.00 0.00 C ATOM 1726 CD PRO A 111 15.916 -10.174 1.391 1.00 0.00 C ATOM 0 HA PRO A 111 17.041 -7.777 -0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 111 18.498 -10.035 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 111 18.537 -9.104 0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 111 16.963 -11.643 0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 111 17.811 -11.211 1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.079 -10.870 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 111 16.038 -9.903 2.440 1.00 0.00 H new ATOM 1734 N SER A 112 15.531 -8.369 -2.479 1.00 0.00 N ATOM 1735 CA SER A 112 15.002 -8.652 -3.791 1.00 0.00 C ATOM 1736 C SER A 112 14.963 -7.396 -4.643 1.00 0.00 C ATOM 1737 O SER A 112 14.707 -6.299 -4.148 1.00 0.00 O ATOM 1738 CB SER A 112 13.579 -9.210 -3.694 1.00 0.00 C ATOM 1739 OG SER A 112 13.570 -10.513 -3.147 1.00 0.00 O ATOM 0 H SER A 112 15.333 -7.424 -2.150 1.00 0.00 H new ATOM 0 HA SER A 112 15.660 -9.389 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 112 12.970 -8.551 -3.076 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.125 -9.227 -4.685 1.00 0.00 H new ATOM 0 HG SER A 112 14.480 -10.763 -2.882 1.00 0.00 H new ATOM 1745 N SER A 113 15.172 -7.610 -5.936 1.00 0.00 N ATOM 1746 CA SER A 113 15.160 -6.616 -6.998 1.00 0.00 C ATOM 1747 C SER A 113 14.443 -7.185 -8.236 1.00 0.00 C ATOM 1748 O SER A 113 14.064 -6.440 -9.144 1.00 0.00 O ATOM 1749 CB SER A 113 16.596 -6.156 -7.290 1.00 0.00 C ATOM 1750 OG SER A 113 17.470 -7.250 -7.533 1.00 0.00 O ATOM 0 H SER A 113 15.367 -8.546 -6.293 1.00 0.00 H new ATOM 0 HA SER A 113 14.600 -5.733 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.595 -5.494 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.969 -5.576 -6.446 1.00 0.00 H new ATOM 0 HG SER A 113 18.372 -6.914 -7.716 1.00 0.00 H new ATOM 1756 N GLY A 114 14.244 -8.504 -8.279 1.00 0.00 N ATOM 1757 CA GLY A 114 13.606 -9.265 -9.331 1.00 0.00 C ATOM 1758 C GLY A 114 13.835 -10.717 -8.982 1.00 0.00 C ATOM 1759 O GLY A 114 13.494 -11.126 -7.852 1.00 0.00 O ATOM 0 H GLY A 114 14.552 -9.105 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.541 -9.039 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 114 14.035 -9.024 -10.304 1.00 0.00 H new TER 1763 GLY A 114