USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 495 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 12 CYS SG : rot -155:sc= 0.964 USER MOD Set 1.2: A 15 CYS SG : rot 116:sc= -0.704 USER MOD Set 2.1: A 4 HIS :FLIP no HD1:sc= -6.42! C(o=-6.8!,f=-5.2!) USER MOD Set 2.2: A 44 SER OG : rot 126:sc= 1.12 USER MOD Set 2.3: A 47 SER OG : rot 134:sc= 0.0932 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.000166 X(o=-0.00017,f=0.36) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.087 (180deg=-0.583) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.13 F(o=-0.77,f=-0.13) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -6:sc= -0.248 USER MOD Single : A 46 HIS : no HD1:sc= -0.234 K(o=-0.23,f=-1.5) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -151:sc= -3.38 USER MOD Single : A 54 THR OG1 : rot -95:sc= -0.665 USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.053) USER MOD Single : A 57 LYS NZ :NH3+ -144:sc= -0.219 (180deg=-1.14) USER MOD Single : A 58 THR OG1 : rot 130:sc= -0.253 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0206 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -17.470 -16.916 -23.140 1.00 0.00 N ATOM 21 CA PRO A 2 -18.023 -15.761 -23.904 1.00 0.00 C ATOM 22 C PRO A 2 -17.291 -14.458 -23.583 1.00 0.00 C ATOM 23 O PRO A 2 -16.870 -14.238 -22.447 1.00 0.00 O ATOM 24 CB PRO A 2 -19.481 -15.695 -23.448 1.00 0.00 C ATOM 25 CG PRO A 2 -19.488 -16.282 -22.077 1.00 0.00 C ATOM 26 CD PRO A 2 -18.362 -17.316 -22.036 1.00 0.00 C ATOM 0 HA PRO A 2 -17.913 -15.889 -24.981 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.845 -14.667 -23.438 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.130 -16.256 -24.120 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.331 -15.509 -21.324 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.449 -16.748 -21.860 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.842 -17.302 -21.078 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.743 -18.327 -22.177 1.00 0.00 H new ATOM 34 N LYS A 3 -17.145 -13.599 -24.586 1.00 0.00 N ATOM 35 CA LYS A 3 -16.464 -12.322 -24.393 1.00 0.00 C ATOM 36 C LYS A 3 -17.476 -11.213 -24.120 1.00 0.00 C ATOM 37 O LYS A 3 -18.567 -11.205 -24.689 1.00 0.00 O ATOM 38 CB LYS A 3 -15.646 -11.968 -25.636 1.00 0.00 C ATOM 39 CG LYS A 3 -14.969 -13.225 -26.184 1.00 0.00 C ATOM 40 CD LYS A 3 -14.124 -12.857 -27.405 1.00 0.00 C ATOM 41 CE LYS A 3 -13.578 -14.130 -28.051 1.00 0.00 C ATOM 42 NZ LYS A 3 -13.412 -13.910 -29.516 1.00 0.00 N ATOM 0 H LYS A 3 -17.486 -13.761 -25.534 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.798 -12.416 -23.535 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.293 -11.531 -26.397 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.895 -11.218 -25.387 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.341 -13.677 -25.416 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.720 -13.966 -26.458 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.727 -12.302 -28.124 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.302 -12.206 -27.108 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.622 -14.398 -27.602 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.258 -14.963 -27.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.040 -14.775 -29.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.333 -13.674 -29.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.747 -13.127 -29.676 1.00 0.00 H new ATOM 56 N HIS A 4 -17.108 -10.275 -23.252 1.00 0.00 N ATOM 57 CA HIS A 4 -17.999 -9.167 -22.924 1.00 0.00 C ATOM 58 C HIS A 4 -17.440 -7.860 -23.476 1.00 0.00 C ATOM 59 O HIS A 4 -16.250 -7.576 -23.337 1.00 0.00 O ATOM 60 CB HIS A 4 -18.163 -9.057 -21.404 1.00 0.00 C ATOM 61 CG HIS A 4 -19.618 -9.183 -21.039 1.00 0.00 C ATOM 62 ND1 HIS A 4 -20.386 -10.268 -20.697 1.00 0.00 N flip ATOM 63 CD2 HIS A 4 -20.470 -8.091 -21.006 1.00 0.00 C flip ATOM 64 CE1 HIS A 4 -21.694 -9.859 -20.454 1.00 0.00 C flip ATOM 65 NE2 HIS A 4 -21.690 -8.539 -20.655 1.00 0.00 N flip ATOM 0 H HIS A 4 -16.210 -10.259 -22.768 1.00 0.00 H new ATOM 0 HA HIS A 4 -18.972 -9.357 -23.377 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.585 -9.838 -20.909 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.772 -8.101 -21.055 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -20.204 -7.067 -21.222 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -22.532 -10.476 -20.165 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -22.511 -7.943 -20.555 1.00 0.00 H new ATOM 73 N GLU A 5 -18.304 -7.069 -24.103 1.00 0.00 N ATOM 74 CA GLU A 5 -17.875 -5.796 -24.672 1.00 0.00 C ATOM 75 C GLU A 5 -18.624 -4.639 -24.022 1.00 0.00 C ATOM 76 O GLU A 5 -19.852 -4.642 -23.950 1.00 0.00 O ATOM 77 CB GLU A 5 -18.127 -5.786 -26.181 1.00 0.00 C ATOM 78 CG GLU A 5 -17.183 -6.779 -26.862 1.00 0.00 C ATOM 79 CD GLU A 5 -17.859 -7.394 -28.083 1.00 0.00 C ATOM 80 OE1 GLU A 5 -18.768 -6.773 -28.609 1.00 0.00 O ATOM 81 OE2 GLU A 5 -17.458 -8.478 -28.475 1.00 0.00 O ATOM 0 H GLU A 5 -19.293 -7.283 -24.229 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.808 -5.676 -24.481 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.163 -6.052 -26.389 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.968 -4.784 -26.580 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.265 -6.273 -27.161 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.900 -7.563 -26.160 1.00 0.00 H new ATOM 88 N PHE A 6 -17.871 -3.648 -23.559 1.00 0.00 N ATOM 89 CA PHE A 6 -18.463 -2.480 -22.919 1.00 0.00 C ATOM 90 C PHE A 6 -17.907 -1.202 -23.542 1.00 0.00 C ATOM 91 O PHE A 6 -16.714 -1.109 -23.829 1.00 0.00 O ATOM 92 CB PHE A 6 -18.151 -2.498 -21.418 1.00 0.00 C ATOM 93 CG PHE A 6 -19.401 -2.838 -20.638 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.134 -3.987 -20.955 1.00 0.00 C ATOM 95 CD2 PHE A 6 -19.824 -2.004 -19.597 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.290 -4.304 -20.231 1.00 0.00 C ATOM 97 CE2 PHE A 6 -20.980 -2.319 -18.872 1.00 0.00 C ATOM 98 CZ PHE A 6 -21.713 -3.469 -19.190 1.00 0.00 C ATOM 0 H PHE A 6 -16.853 -3.630 -23.615 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.543 -2.507 -23.065 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -17.371 -3.229 -21.208 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -17.769 -1.526 -21.105 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -19.808 -4.630 -21.759 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.259 -1.117 -19.353 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -21.855 -5.192 -20.475 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -21.306 -1.675 -18.068 1.00 0.00 H new ATOM 0 HZ PHE A 6 -22.605 -3.712 -18.632 1.00 0.00 H new ATOM 108 N SER A 7 -18.777 -0.218 -23.748 1.00 0.00 N ATOM 109 CA SER A 7 -18.356 1.050 -24.337 1.00 0.00 C ATOM 110 C SER A 7 -18.394 2.159 -23.294 1.00 0.00 C ATOM 111 O SER A 7 -19.466 2.560 -22.840 1.00 0.00 O ATOM 112 CB SER A 7 -19.267 1.415 -25.508 1.00 0.00 C ATOM 113 OG SER A 7 -19.187 2.814 -25.744 1.00 0.00 O ATOM 0 H SER A 7 -19.769 -0.272 -23.518 1.00 0.00 H new ATOM 0 HA SER A 7 -17.334 0.939 -24.699 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.969 0.866 -26.401 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.295 1.130 -25.287 1.00 0.00 H new ATOM 0 HG SER A 7 -19.769 3.053 -26.496 1.00 0.00 H new ATOM 119 N VAL A 8 -17.218 2.644 -22.909 1.00 0.00 N ATOM 120 CA VAL A 8 -17.133 3.700 -21.909 1.00 0.00 C ATOM 121 C VAL A 8 -16.232 4.835 -22.381 1.00 0.00 C ATOM 122 O VAL A 8 -15.093 4.607 -22.791 1.00 0.00 O ATOM 123 CB VAL A 8 -16.580 3.127 -20.604 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.119 2.720 -20.809 1.00 0.00 C ATOM 125 CG2 VAL A 8 -16.663 4.189 -19.505 1.00 0.00 C ATOM 0 H VAL A 8 -16.319 2.326 -23.271 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.135 4.098 -21.749 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.165 2.255 -20.311 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.721 2.311 -19.880 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.058 1.965 -21.593 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.535 3.593 -21.100 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.269 3.781 -18.574 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.077 5.061 -19.796 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.703 4.483 -19.361 1.00 0.00 H new ATOM 135 N ASP A 9 -16.739 6.059 -22.301 1.00 0.00 N ATOM 136 CA ASP A 9 -15.960 7.222 -22.702 1.00 0.00 C ATOM 137 C ASP A 9 -14.960 7.567 -21.605 1.00 0.00 C ATOM 138 O ASP A 9 -15.348 7.946 -20.500 1.00 0.00 O ATOM 139 CB ASP A 9 -16.885 8.415 -22.951 1.00 0.00 C ATOM 140 CG ASP A 9 -16.425 9.185 -24.184 1.00 0.00 C ATOM 141 OD1 ASP A 9 -16.678 8.715 -25.281 1.00 0.00 O ATOM 142 OD2 ASP A 9 -15.828 10.235 -24.014 1.00 0.00 O ATOM 0 H ASP A 9 -17.678 6.271 -21.965 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.425 6.992 -23.623 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.909 8.069 -23.090 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.886 9.072 -22.081 1.00 0.00 H new ATOM 147 N MET A 10 -13.675 7.416 -21.905 1.00 0.00 N ATOM 148 CA MET A 10 -12.641 7.698 -20.916 1.00 0.00 C ATOM 149 C MET A 10 -12.555 9.192 -20.617 1.00 0.00 C ATOM 150 O MET A 10 -12.209 9.992 -21.486 1.00 0.00 O ATOM 151 CB MET A 10 -11.287 7.208 -21.427 1.00 0.00 C ATOM 152 CG MET A 10 -11.166 7.513 -22.921 1.00 0.00 C ATOM 153 SD MET A 10 -9.551 8.259 -23.256 1.00 0.00 S ATOM 154 CE MET A 10 -9.940 8.918 -24.895 1.00 0.00 C ATOM 0 H MET A 10 -13.327 7.104 -22.812 1.00 0.00 H new ATOM 0 HA MET A 10 -12.904 7.175 -19.997 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.481 7.696 -20.879 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.187 6.136 -21.254 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.283 6.597 -23.501 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.962 8.190 -23.231 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.066 9.430 -25.298 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.220 8.100 -25.559 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.769 9.622 -24.817 1.00 0.00 H new ATOM 164 N THR A 11 -12.851 9.552 -19.372 1.00 0.00 N ATOM 165 CA THR A 11 -12.785 10.945 -18.949 1.00 0.00 C ATOM 166 C THR A 11 -11.622 11.139 -17.981 1.00 0.00 C ATOM 167 O THR A 11 -10.905 12.138 -18.042 1.00 0.00 O ATOM 168 CB THR A 11 -14.094 11.360 -18.274 1.00 0.00 C ATOM 169 OG1 THR A 11 -13.856 12.479 -17.432 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.635 10.199 -17.439 1.00 0.00 C ATOM 0 H THR A 11 -13.138 8.901 -18.641 1.00 0.00 H new ATOM 0 HA THR A 11 -12.630 11.569 -19.829 1.00 0.00 H new ATOM 0 HB THR A 11 -14.826 11.625 -19.037 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.694 12.747 -17.000 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.567 10.499 -16.960 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.819 9.341 -18.085 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.905 9.929 -16.676 1.00 0.00 H new ATOM 178 N CYS A 12 -11.441 10.168 -17.090 1.00 0.00 N ATOM 179 CA CYS A 12 -10.363 10.226 -16.110 1.00 0.00 C ATOM 180 C CYS A 12 -9.227 9.295 -16.515 1.00 0.00 C ATOM 181 O CYS A 12 -8.607 8.658 -15.667 1.00 0.00 O ATOM 182 CB CYS A 12 -10.889 9.836 -14.726 1.00 0.00 C ATOM 183 SG CYS A 12 -11.352 11.333 -13.817 1.00 0.00 S ATOM 0 H CYS A 12 -12.025 9.334 -17.027 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.983 11.247 -16.072 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.751 9.176 -14.825 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.126 9.285 -14.177 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.289 11.102 -12.539 1.00 0.00 H new ATOM 189 N GLY A 13 -8.960 9.228 -17.819 1.00 0.00 N ATOM 190 CA GLY A 13 -7.891 8.374 -18.334 1.00 0.00 C ATOM 191 C GLY A 13 -6.880 8.060 -17.239 1.00 0.00 C ATOM 192 O GLY A 13 -6.515 6.904 -17.029 1.00 0.00 O ATOM 0 H GLY A 13 -9.466 9.751 -18.534 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.314 7.447 -18.722 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.391 8.870 -19.166 1.00 0.00 H new ATOM 196 N GLY A 14 -6.441 9.097 -16.536 1.00 0.00 N ATOM 197 CA GLY A 14 -5.482 8.920 -15.453 1.00 0.00 C ATOM 198 C GLY A 14 -6.093 8.102 -14.319 1.00 0.00 C ATOM 199 O GLY A 14 -5.517 7.106 -13.879 1.00 0.00 O ATOM 0 H GLY A 14 -6.731 10.062 -16.695 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.590 8.420 -15.829 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.167 9.893 -15.077 1.00 0.00 H new ATOM 203 N CYS A 15 -7.265 8.527 -13.850 1.00 0.00 N ATOM 204 CA CYS A 15 -7.948 7.826 -12.765 1.00 0.00 C ATOM 205 C CYS A 15 -8.805 6.685 -13.310 1.00 0.00 C ATOM 206 O CYS A 15 -8.796 5.581 -12.767 1.00 0.00 O ATOM 207 CB CYS A 15 -8.828 8.799 -11.978 1.00 0.00 C ATOM 208 SG CYS A 15 -8.528 10.489 -12.551 1.00 0.00 S ATOM 0 H CYS A 15 -7.758 9.348 -14.202 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.190 7.408 -12.102 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.879 8.541 -12.108 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.611 8.722 -10.913 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.609 10.960 -13.097 1.00 0.00 H new ATOM 214 N ALA A 16 -9.548 6.958 -14.381 1.00 0.00 N ATOM 215 CA ALA A 16 -10.405 5.936 -14.976 1.00 0.00 C ATOM 216 C ALA A 16 -9.599 4.688 -15.325 1.00 0.00 C ATOM 217 O ALA A 16 -10.102 3.569 -15.232 1.00 0.00 O ATOM 218 CB ALA A 16 -11.072 6.480 -16.240 1.00 0.00 C ATOM 0 H ALA A 16 -9.574 7.864 -14.848 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.169 5.668 -14.246 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.709 5.710 -16.676 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.677 7.350 -15.986 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.306 6.768 -16.960 1.00 0.00 H new ATOM 224 N GLU A 17 -8.346 4.882 -15.725 1.00 0.00 N ATOM 225 CA GLU A 17 -7.491 3.753 -16.081 1.00 0.00 C ATOM 226 C GLU A 17 -7.086 2.977 -14.833 1.00 0.00 C ATOM 227 O GLU A 17 -7.046 1.747 -14.842 1.00 0.00 O ATOM 228 CB GLU A 17 -6.240 4.247 -16.811 1.00 0.00 C ATOM 229 CG GLU A 17 -5.387 3.048 -17.232 1.00 0.00 C ATOM 230 CD GLU A 17 -4.295 2.795 -16.198 1.00 0.00 C ATOM 231 OE1 GLU A 17 -3.533 3.711 -15.934 1.00 0.00 O ATOM 232 OE2 GLU A 17 -4.237 1.690 -15.686 1.00 0.00 O ATOM 0 H GLU A 17 -7.904 5.797 -15.810 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.052 3.091 -16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.524 4.830 -17.687 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.664 4.907 -16.162 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.015 2.163 -17.334 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.939 3.235 -18.208 1.00 0.00 H new ATOM 239 N ALA A 18 -6.792 3.702 -13.758 1.00 0.00 N ATOM 240 CA ALA A 18 -6.399 3.066 -12.505 1.00 0.00 C ATOM 241 C ALA A 18 -7.587 2.334 -11.891 1.00 0.00 C ATOM 242 O ALA A 18 -7.433 1.283 -11.270 1.00 0.00 O ATOM 243 CB ALA A 18 -5.883 4.121 -11.524 1.00 0.00 C ATOM 0 H ALA A 18 -6.818 4.721 -13.728 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.606 2.347 -12.711 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.592 3.639 -10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.020 4.628 -11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.670 4.849 -11.326 1.00 0.00 H new ATOM 249 N VAL A 19 -8.772 2.902 -12.077 1.00 0.00 N ATOM 250 CA VAL A 19 -9.995 2.308 -11.549 1.00 0.00 C ATOM 251 C VAL A 19 -10.203 0.908 -12.115 1.00 0.00 C ATOM 252 O VAL A 19 -10.695 0.018 -11.425 1.00 0.00 O ATOM 253 CB VAL A 19 -11.195 3.186 -11.904 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.485 2.395 -11.682 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.203 4.435 -11.016 1.00 0.00 C ATOM 0 H VAL A 19 -8.913 3.773 -12.589 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.902 2.237 -10.465 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.125 3.488 -12.949 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.342 3.019 -11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.482 1.509 -12.316 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.551 2.093 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.060 5.058 -11.272 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.271 4.137 -9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.284 4.999 -11.174 1.00 0.00 H new ATOM 265 N SER A 20 -9.843 0.725 -13.379 1.00 0.00 N ATOM 266 CA SER A 20 -10.011 -0.570 -14.036 1.00 0.00 C ATOM 267 C SER A 20 -9.292 -1.680 -13.270 1.00 0.00 C ATOM 268 O SER A 20 -9.754 -2.821 -13.245 1.00 0.00 O ATOM 269 CB SER A 20 -9.472 -0.502 -15.465 1.00 0.00 C ATOM 270 OG SER A 20 -9.558 -1.790 -16.060 1.00 0.00 O ATOM 0 H SER A 20 -9.435 1.450 -13.969 1.00 0.00 H new ATOM 0 HA SER A 20 -11.076 -0.802 -14.054 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.044 0.220 -16.048 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.437 -0.159 -15.460 1.00 0.00 H new ATOM 0 HG SER A 20 -9.215 -1.750 -16.977 1.00 0.00 H new ATOM 276 N ARG A 21 -8.163 -1.350 -12.651 1.00 0.00 N ATOM 277 CA ARG A 21 -7.403 -2.344 -11.896 1.00 0.00 C ATOM 278 C ARG A 21 -8.281 -2.997 -10.828 1.00 0.00 C ATOM 279 O ARG A 21 -8.235 -4.210 -10.631 1.00 0.00 O ATOM 280 CB ARG A 21 -6.190 -1.688 -11.233 1.00 0.00 C ATOM 281 CG ARG A 21 -4.992 -1.743 -12.184 1.00 0.00 C ATOM 282 CD ARG A 21 -3.766 -1.138 -11.495 1.00 0.00 C ATOM 283 NE ARG A 21 -2.592 -1.264 -12.350 1.00 0.00 N ATOM 284 CZ ARG A 21 -1.978 -2.431 -12.511 1.00 0.00 C ATOM 285 NH1 ARG A 21 -2.426 -3.494 -11.897 1.00 0.00 N ATOM 286 NH2 ARG A 21 -0.929 -2.517 -13.282 1.00 0.00 N ATOM 0 H ARG A 21 -7.757 -0.414 -12.655 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.063 -3.113 -12.590 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.418 -0.653 -10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.951 -2.200 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.789 -2.775 -12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.215 -1.195 -13.100 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.949 -0.087 -11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.588 -1.642 -10.545 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.235 -0.440 -12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.247 -3.427 -11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.955 -4.390 -12.020 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.579 -1.688 -13.762 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.458 -3.414 -13.405 1.00 0.00 H new ATOM 300 N VAL A 22 -9.085 -2.184 -10.148 1.00 0.00 N ATOM 301 CA VAL A 22 -9.977 -2.691 -9.107 1.00 0.00 C ATOM 302 C VAL A 22 -10.920 -3.748 -9.679 1.00 0.00 C ATOM 303 O VAL A 22 -11.524 -4.525 -8.939 1.00 0.00 O ATOM 304 CB VAL A 22 -10.787 -1.544 -8.492 1.00 0.00 C ATOM 305 CG1 VAL A 22 -9.879 -0.329 -8.289 1.00 0.00 C ATOM 306 CG2 VAL A 22 -11.940 -1.167 -9.427 1.00 0.00 C ATOM 0 H VAL A 22 -9.138 -1.176 -10.297 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.368 -3.149 -8.328 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.190 -1.863 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.455 0.487 -7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.060 -0.594 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.474 -0.013 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.514 -0.351 -8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.539 -0.850 -10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.589 -2.031 -9.571 1.00 0.00 H new ATOM 316 N LEU A 23 -11.051 -3.754 -11.003 1.00 0.00 N ATOM 317 CA LEU A 23 -11.935 -4.700 -11.681 1.00 0.00 C ATOM 318 C LEU A 23 -11.558 -6.142 -11.355 1.00 0.00 C ATOM 319 O LEU A 23 -12.423 -7.013 -11.304 1.00 0.00 O ATOM 320 CB LEU A 23 -11.862 -4.488 -13.196 1.00 0.00 C ATOM 321 CG LEU A 23 -12.908 -5.369 -13.884 1.00 0.00 C ATOM 322 CD1 LEU A 23 -13.582 -4.583 -15.012 1.00 0.00 C ATOM 323 CD2 LEU A 23 -12.226 -6.609 -14.467 1.00 0.00 C ATOM 0 H LEU A 23 -10.558 -3.116 -11.627 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.951 -4.520 -11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.039 -3.440 -13.436 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.865 -4.735 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.659 -5.673 -13.155 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.326 -5.213 -15.500 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.069 -3.699 -14.599 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.832 -4.277 -15.741 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.970 -7.237 -14.957 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.474 -6.303 -15.194 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.748 -7.172 -13.665 1.00 0.00 H new ATOM 335 N ASN A 24 -10.274 -6.396 -11.143 1.00 0.00 N ATOM 336 CA ASN A 24 -9.827 -7.749 -10.832 1.00 0.00 C ATOM 337 C ASN A 24 -10.622 -8.319 -9.659 1.00 0.00 C ATOM 338 O ASN A 24 -10.866 -9.525 -9.592 1.00 0.00 O ATOM 339 CB ASN A 24 -8.338 -7.739 -10.481 1.00 0.00 C ATOM 340 CG ASN A 24 -7.500 -7.554 -11.743 1.00 0.00 C ATOM 341 OD1 ASN A 24 -6.909 -6.493 -11.946 1.00 0.00 O ATOM 342 ND2 ASN A 24 -7.412 -8.529 -12.605 1.00 0.00 N ATOM 0 H ASN A 24 -9.533 -5.696 -11.179 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.991 -8.376 -11.708 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.129 -6.935 -9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.067 -8.673 -9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.852 -8.414 -13.450 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.903 -9.407 -12.434 1.00 0.00 H new ATOM 349 N LYS A 25 -11.029 -7.449 -8.738 1.00 0.00 N ATOM 350 CA LYS A 25 -11.802 -7.887 -7.578 1.00 0.00 C ATOM 351 C LYS A 25 -13.195 -8.352 -7.997 1.00 0.00 C ATOM 352 O LYS A 25 -13.676 -9.390 -7.544 1.00 0.00 O ATOM 353 CB LYS A 25 -11.927 -6.742 -6.569 1.00 0.00 C ATOM 354 CG LYS A 25 -10.555 -6.104 -6.346 1.00 0.00 C ATOM 355 CD LYS A 25 -10.600 -5.214 -5.101 1.00 0.00 C ATOM 356 CE LYS A 25 -9.293 -4.427 -4.990 1.00 0.00 C ATOM 357 NZ LYS A 25 -8.142 -5.373 -4.999 1.00 0.00 N ATOM 0 H LYS A 25 -10.839 -6.447 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.278 -8.724 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.631 -5.995 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.323 -7.117 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.798 -6.879 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.271 -5.514 -7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.446 -4.529 -5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.747 -5.824 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.207 -3.725 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.287 -3.839 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.301 -4.901 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.372 -6.205 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.948 -5.675 -5.975 1.00 0.00 H new ATOM 371 N LEU A 26 -13.842 -7.572 -8.859 1.00 0.00 N ATOM 372 CA LEU A 26 -15.182 -7.906 -9.326 1.00 0.00 C ATOM 373 C LEU A 26 -15.130 -8.941 -10.447 1.00 0.00 C ATOM 374 O LEU A 26 -15.943 -9.864 -10.493 1.00 0.00 O ATOM 375 CB LEU A 26 -15.866 -6.640 -9.840 1.00 0.00 C ATOM 376 CG LEU A 26 -17.326 -6.614 -9.389 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.999 -7.938 -9.750 1.00 0.00 C ATOM 378 CD2 LEU A 26 -17.390 -6.400 -7.874 1.00 0.00 C ATOM 0 H LEU A 26 -13.461 -6.709 -9.246 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.744 -8.328 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.346 -5.758 -9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.812 -6.604 -10.928 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.845 -5.798 -9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.040 -7.917 -9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.957 -8.085 -10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.481 -8.757 -9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.431 -6.382 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.869 -7.214 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.915 -5.452 -7.620 1.00 0.00 H new ATOM 390 N GLY A 27 -14.173 -8.777 -11.353 1.00 0.00 N ATOM 391 CA GLY A 27 -14.032 -9.698 -12.475 1.00 0.00 C ATOM 392 C GLY A 27 -12.929 -10.718 -12.225 1.00 0.00 C ATOM 393 O GLY A 27 -13.200 -11.906 -12.047 1.00 0.00 O ATOM 0 H GLY A 27 -13.488 -8.021 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.976 -10.216 -12.643 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.811 -9.136 -13.383 1.00 0.00 H new ATOM 397 N GLY A 28 -11.684 -10.253 -12.228 1.00 0.00 N ATOM 398 CA GLY A 28 -10.551 -11.145 -12.016 1.00 0.00 C ATOM 399 C GLY A 28 -10.379 -12.064 -13.218 1.00 0.00 C ATOM 400 O GLY A 28 -9.916 -13.197 -13.090 1.00 0.00 O ATOM 0 H GLY A 28 -11.436 -9.274 -12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.643 -10.562 -11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.708 -11.737 -11.115 1.00 0.00 H new ATOM 404 N VAL A 29 -10.769 -11.563 -14.386 1.00 0.00 N ATOM 405 CA VAL A 29 -10.672 -12.336 -15.617 1.00 0.00 C ATOM 406 C VAL A 29 -9.895 -11.569 -16.677 1.00 0.00 C ATOM 407 O VAL A 29 -9.379 -10.480 -16.425 1.00 0.00 O ATOM 408 CB VAL A 29 -12.074 -12.646 -16.140 1.00 0.00 C ATOM 409 CG1 VAL A 29 -12.156 -14.116 -16.555 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.097 -12.371 -15.038 1.00 0.00 C ATOM 0 H VAL A 29 -11.155 -10.626 -14.505 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.144 -13.264 -15.401 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.286 -12.015 -17.003 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.157 -14.334 -16.927 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.426 -14.314 -17.340 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.944 -14.750 -15.694 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.098 -12.591 -15.408 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.882 -13.002 -14.176 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.041 -11.323 -14.743 1.00 0.00 H new ATOM 420 N LYS A 30 -9.820 -12.152 -17.865 1.00 0.00 N ATOM 421 CA LYS A 30 -9.107 -11.532 -18.973 1.00 0.00 C ATOM 422 C LYS A 30 -9.741 -10.195 -19.338 1.00 0.00 C ATOM 423 O LYS A 30 -10.957 -10.094 -19.499 1.00 0.00 O ATOM 424 CB LYS A 30 -9.131 -12.459 -20.191 1.00 0.00 C ATOM 425 CG LYS A 30 -8.001 -12.075 -21.148 1.00 0.00 C ATOM 426 CD LYS A 30 -6.771 -12.937 -20.858 1.00 0.00 C ATOM 427 CE LYS A 30 -5.532 -12.280 -21.469 1.00 0.00 C ATOM 428 NZ LYS A 30 -4.972 -11.288 -20.509 1.00 0.00 N ATOM 0 H LYS A 30 -10.244 -13.053 -18.086 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.075 -11.360 -18.666 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.017 -13.496 -19.874 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.093 -12.385 -20.699 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.321 -12.215 -22.180 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.754 -11.020 -21.031 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.641 -13.053 -19.782 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.908 -13.936 -21.272 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.784 -13.037 -21.704 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.793 -11.788 -22.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.130 -10.841 -20.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.686 -10.560 -20.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.709 -11.770 -19.626 1.00 0.00 H new ATOM 442 N TYR A 31 -8.905 -9.172 -19.466 1.00 0.00 N ATOM 443 CA TYR A 31 -9.388 -7.841 -19.813 1.00 0.00 C ATOM 444 C TYR A 31 -8.401 -7.137 -20.740 1.00 0.00 C ATOM 445 O TYR A 31 -7.204 -7.423 -20.721 1.00 0.00 O ATOM 446 CB TYR A 31 -9.591 -7.008 -18.546 1.00 0.00 C ATOM 447 CG TYR A 31 -8.250 -6.591 -17.992 1.00 0.00 C ATOM 448 CD1 TYR A 31 -7.443 -7.523 -17.330 1.00 0.00 C ATOM 449 CD2 TYR A 31 -7.815 -5.268 -18.139 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.201 -7.134 -16.816 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.572 -4.879 -17.624 1.00 0.00 C ATOM 452 CZ TYR A 31 -5.766 -5.812 -16.962 1.00 0.00 C ATOM 453 OH TYR A 31 -4.541 -5.429 -16.454 1.00 0.00 O ATOM 0 H TYR A 31 -7.895 -9.237 -19.336 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.342 -7.946 -20.331 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.193 -6.127 -18.771 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.139 -7.587 -17.802 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.779 -8.543 -17.216 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.438 -4.548 -18.649 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.578 -7.854 -16.307 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.236 -3.859 -17.738 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.391 -4.479 -16.642 1.00 0.00 H new ATOM 463 N ASP A 32 -8.914 -6.216 -21.551 1.00 0.00 N ATOM 464 CA ASP A 32 -8.073 -5.475 -22.485 1.00 0.00 C ATOM 465 C ASP A 32 -8.596 -4.051 -22.660 1.00 0.00 C ATOM 466 O ASP A 32 -9.781 -3.845 -22.924 1.00 0.00 O ATOM 467 CB ASP A 32 -8.052 -6.184 -23.843 1.00 0.00 C ATOM 468 CG ASP A 32 -6.663 -6.752 -24.116 1.00 0.00 C ATOM 469 OD1 ASP A 32 -6.327 -7.759 -23.514 1.00 0.00 O ATOM 470 OD2 ASP A 32 -5.956 -6.173 -24.926 1.00 0.00 O ATOM 0 H ASP A 32 -9.902 -5.966 -21.580 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.061 -5.432 -22.082 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.790 -6.986 -23.855 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.329 -5.484 -24.632 1.00 0.00 H new ATOM 475 N ILE A 33 -7.710 -3.071 -22.508 1.00 0.00 N ATOM 476 CA ILE A 33 -8.101 -1.677 -22.647 1.00 0.00 C ATOM 477 C ILE A 33 -7.492 -1.065 -23.905 1.00 0.00 C ATOM 478 O ILE A 33 -6.271 -1.002 -24.046 1.00 0.00 O ATOM 479 CB ILE A 33 -7.637 -0.892 -21.423 1.00 0.00 C ATOM 480 CG1 ILE A 33 -6.230 -1.347 -21.027 1.00 0.00 C ATOM 481 CG2 ILE A 33 -8.597 -1.140 -20.258 1.00 0.00 C ATOM 482 CD1 ILE A 33 -5.685 -0.431 -19.929 1.00 0.00 C ATOM 0 H ILE A 33 -6.724 -3.217 -22.290 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.187 -1.629 -22.729 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.623 0.172 -21.661 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.256 -2.378 -20.675 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.571 -1.323 -21.895 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.263 -0.578 -19.386 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.599 -0.815 -20.537 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.613 -2.204 -20.020 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.683 -0.756 -19.648 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.644 0.594 -20.297 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.339 -0.478 -19.058 1.00 0.00 H new ATOM 494 N ASP A 34 -8.350 -0.607 -24.813 1.00 0.00 N ATOM 495 CA ASP A 34 -7.880 0.006 -26.051 1.00 0.00 C ATOM 496 C ASP A 34 -8.280 1.478 -26.101 1.00 0.00 C ATOM 497 O ASP A 34 -9.420 1.812 -26.425 1.00 0.00 O ATOM 498 CB ASP A 34 -8.474 -0.726 -27.257 1.00 0.00 C ATOM 499 CG ASP A 34 -8.029 -2.185 -27.251 1.00 0.00 C ATOM 500 OD1 ASP A 34 -7.865 -2.729 -26.171 1.00 0.00 O ATOM 501 OD2 ASP A 34 -7.858 -2.736 -28.325 1.00 0.00 O ATOM 0 H ASP A 34 -9.365 -0.648 -24.716 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.793 -0.068 -26.082 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.562 -0.669 -27.228 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.154 -0.243 -28.180 1.00 0.00 H new ATOM 506 N LEU A 35 -7.333 2.353 -25.775 1.00 0.00 N ATOM 507 CA LEU A 35 -7.593 3.789 -25.782 1.00 0.00 C ATOM 508 C LEU A 35 -7.977 4.273 -27.179 1.00 0.00 C ATOM 509 O LEU A 35 -8.906 5.065 -27.339 1.00 0.00 O ATOM 510 CB LEU A 35 -6.351 4.545 -25.303 1.00 0.00 C ATOM 511 CG LEU A 35 -6.764 5.623 -24.300 1.00 0.00 C ATOM 512 CD1 LEU A 35 -7.205 4.962 -22.992 1.00 0.00 C ATOM 513 CD2 LEU A 35 -5.573 6.545 -24.027 1.00 0.00 C ATOM 0 H LEU A 35 -6.384 2.095 -25.504 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.427 3.985 -25.108 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.647 3.853 -24.840 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.839 5.000 -26.151 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.590 6.204 -24.710 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.499 5.730 -22.277 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.051 4.303 -23.185 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.379 4.382 -22.581 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.865 7.314 -23.312 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.748 5.962 -23.616 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.256 7.016 -24.958 1.00 0.00 H new ATOM 525 N PRO A 36 -7.273 3.821 -28.182 1.00 0.00 N ATOM 526 CA PRO A 36 -7.529 4.222 -29.598 1.00 0.00 C ATOM 527 C PRO A 36 -8.985 4.025 -30.014 1.00 0.00 C ATOM 528 O PRO A 36 -9.486 4.723 -30.895 1.00 0.00 O ATOM 529 CB PRO A 36 -6.606 3.310 -30.411 1.00 0.00 C ATOM 530 CG PRO A 36 -5.530 2.882 -29.468 1.00 0.00 C ATOM 531 CD PRO A 36 -6.151 2.877 -28.072 1.00 0.00 C ATOM 0 HA PRO A 36 -7.337 5.284 -29.753 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.150 2.450 -30.801 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.188 3.839 -31.268 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.157 1.892 -29.730 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.682 3.565 -29.512 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.493 1.881 -27.790 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.434 3.194 -27.315 1.00 0.00 H new ATOM 539 N ASN A 37 -9.658 3.069 -29.383 1.00 0.00 N ATOM 540 CA ASN A 37 -11.051 2.790 -29.708 1.00 0.00 C ATOM 541 C ASN A 37 -11.980 3.333 -28.627 1.00 0.00 C ATOM 542 O ASN A 37 -13.202 3.258 -28.751 1.00 0.00 O ATOM 543 CB ASN A 37 -11.254 1.281 -29.841 1.00 0.00 C ATOM 544 CG ASN A 37 -10.912 0.827 -31.256 1.00 0.00 C ATOM 545 OD1 ASN A 37 -11.325 1.531 -32.275 1.00 0.00 O flip ATOM 546 ND2 ASN A 37 -10.253 -0.196 -31.438 1.00 0.00 N flip ATOM 0 H ASN A 37 -9.265 2.479 -28.650 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.290 3.281 -30.651 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.625 0.757 -29.121 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.287 1.024 -29.608 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.932 -0.744 -30.640 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.028 -0.496 -32.387 1.00 0.00 H new ATOM 553 N LYS A 38 -11.394 3.875 -27.566 1.00 0.00 N ATOM 554 CA LYS A 38 -12.182 4.419 -26.466 1.00 0.00 C ATOM 555 C LYS A 38 -13.183 3.381 -25.973 1.00 0.00 C ATOM 556 O LYS A 38 -14.317 3.713 -25.626 1.00 0.00 O ATOM 557 CB LYS A 38 -12.935 5.668 -26.925 1.00 0.00 C ATOM 558 CG LYS A 38 -12.128 6.392 -28.003 1.00 0.00 C ATOM 559 CD LYS A 38 -12.824 7.707 -28.352 1.00 0.00 C ATOM 560 CE LYS A 38 -11.905 8.560 -29.228 1.00 0.00 C ATOM 561 NZ LYS A 38 -12.407 9.963 -29.253 1.00 0.00 N ATOM 0 H LYS A 38 -10.384 3.950 -27.444 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.505 4.683 -25.653 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.914 5.391 -27.316 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.106 6.332 -26.078 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.116 6.585 -27.648 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.041 5.766 -28.891 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.759 7.507 -28.876 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.079 8.248 -27.441 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.887 8.533 -28.840 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.871 8.156 -30.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.783 10.544 -29.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.371 9.980 -29.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.417 10.345 -28.286 1.00 0.00 H new ATOM 575 N LYS A 39 -12.757 2.124 -25.946 1.00 0.00 N ATOM 576 CA LYS A 39 -13.624 1.045 -25.496 1.00 0.00 C ATOM 577 C LYS A 39 -12.856 0.076 -24.606 1.00 0.00 C ATOM 578 O LYS A 39 -11.631 0.139 -24.510 1.00 0.00 O ATOM 579 CB LYS A 39 -14.189 0.292 -26.700 1.00 0.00 C ATOM 580 CG LYS A 39 -15.387 1.058 -27.264 1.00 0.00 C ATOM 581 CD LYS A 39 -15.421 0.905 -28.785 1.00 0.00 C ATOM 582 CE LYS A 39 -15.666 -0.562 -29.147 1.00 0.00 C ATOM 583 NZ LYS A 39 -17.022 -0.706 -29.747 1.00 0.00 N ATOM 0 H LYS A 39 -11.822 1.829 -26.229 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.442 1.479 -24.921 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.421 0.181 -27.466 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.492 -0.712 -26.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.312 0.679 -26.829 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.317 2.112 -26.995 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.208 1.531 -29.206 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.479 1.244 -29.216 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.907 -0.906 -29.850 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.582 -1.186 -28.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.189 -1.703 -29.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.740 -0.394 -29.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.086 -0.122 -30.605 1.00 0.00 H new ATOM 597 N VAL A 40 -13.588 -0.826 -23.962 1.00 0.00 N ATOM 598 CA VAL A 40 -12.969 -1.813 -23.089 1.00 0.00 C ATOM 599 C VAL A 40 -13.585 -3.186 -23.332 1.00 0.00 C ATOM 600 O VAL A 40 -14.791 -3.371 -23.173 1.00 0.00 O ATOM 601 CB VAL A 40 -13.166 -1.411 -21.626 1.00 0.00 C ATOM 602 CG1 VAL A 40 -12.391 -2.371 -20.720 1.00 0.00 C ATOM 603 CG2 VAL A 40 -12.652 0.016 -21.420 1.00 0.00 C ATOM 0 H VAL A 40 -14.604 -0.893 -24.028 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.902 -1.858 -23.309 1.00 0.00 H new ATOM 0 HB VAL A 40 -14.226 -1.457 -21.375 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.533 -2.083 -19.678 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.757 -3.387 -20.868 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.330 -2.328 -20.967 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.791 0.306 -20.378 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.592 0.061 -21.671 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.206 0.699 -22.064 1.00 0.00 H new ATOM 613 N CYS A 41 -12.751 -4.145 -23.718 1.00 0.00 N ATOM 614 CA CYS A 41 -13.233 -5.496 -23.980 1.00 0.00 C ATOM 615 C CYS A 41 -12.774 -6.448 -22.883 1.00 0.00 C ATOM 616 O CYS A 41 -11.581 -6.708 -22.729 1.00 0.00 O ATOM 617 CB CYS A 41 -12.711 -5.980 -25.333 1.00 0.00 C ATOM 618 SG CYS A 41 -13.860 -7.195 -26.025 1.00 0.00 S ATOM 0 H CYS A 41 -11.749 -4.015 -23.855 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.323 -5.479 -23.997 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -12.602 -5.137 -26.015 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -11.723 -6.424 -25.215 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.786 -7.462 -25.153 1.00 0.00 H new ATOM 624 N ILE A 42 -13.732 -6.960 -22.120 1.00 0.00 N ATOM 625 CA ILE A 42 -13.422 -7.877 -21.034 1.00 0.00 C ATOM 626 C ILE A 42 -14.239 -9.160 -21.149 1.00 0.00 C ATOM 627 O ILE A 42 -15.439 -9.122 -21.420 1.00 0.00 O ATOM 628 CB ILE A 42 -13.705 -7.202 -19.686 1.00 0.00 C ATOM 629 CG1 ILE A 42 -14.353 -8.204 -18.717 1.00 0.00 C ATOM 630 CG2 ILE A 42 -14.647 -6.018 -19.895 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.477 -7.582 -17.325 1.00 0.00 C ATOM 0 H ILE A 42 -14.725 -6.756 -22.233 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.365 -8.137 -21.098 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.764 -6.853 -19.261 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.338 -8.492 -19.084 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.753 -9.113 -18.666 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -14.848 -5.539 -18.937 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.183 -5.299 -20.570 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.583 -6.370 -20.328 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.937 -8.299 -16.646 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.487 -7.316 -16.956 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -15.096 -6.686 -17.380 1.00 0.00 H new ATOM 643 N GLU A 43 -13.586 -10.289 -20.904 1.00 0.00 N ATOM 644 CA GLU A 43 -14.269 -11.572 -20.944 1.00 0.00 C ATOM 645 C GLU A 43 -14.417 -12.080 -19.517 1.00 0.00 C ATOM 646 O GLU A 43 -13.425 -12.340 -18.839 1.00 0.00 O ATOM 647 CB GLU A 43 -13.461 -12.573 -21.773 1.00 0.00 C ATOM 648 CG GLU A 43 -13.766 -13.995 -21.303 1.00 0.00 C ATOM 649 CD GLU A 43 -13.412 -14.995 -22.399 1.00 0.00 C ATOM 650 OE1 GLU A 43 -13.706 -14.712 -23.549 1.00 0.00 O ATOM 651 OE2 GLU A 43 -12.853 -16.029 -22.073 1.00 0.00 O ATOM 0 H GLU A 43 -12.593 -10.341 -20.678 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.250 -11.457 -21.405 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.708 -12.468 -22.830 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.395 -12.367 -21.672 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.198 -14.218 -20.399 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.822 -14.083 -21.046 1.00 0.00 H new ATOM 658 N SER A 44 -15.655 -12.193 -19.053 1.00 0.00 N ATOM 659 CA SER A 44 -15.897 -12.639 -17.688 1.00 0.00 C ATOM 660 C SER A 44 -16.899 -13.783 -17.642 1.00 0.00 C ATOM 661 O SER A 44 -17.610 -14.049 -18.611 1.00 0.00 O ATOM 662 CB SER A 44 -16.419 -11.472 -16.849 1.00 0.00 C ATOM 663 OG SER A 44 -16.398 -10.285 -17.631 1.00 0.00 O ATOM 0 H SER A 44 -16.495 -11.985 -19.593 1.00 0.00 H new ATOM 0 HA SER A 44 -14.952 -12.999 -17.282 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.434 -11.679 -16.509 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.804 -11.345 -15.958 1.00 0.00 H new ATOM 0 HG SER A 44 -17.288 -9.876 -17.628 1.00 0.00 H new ATOM 669 N GLU A 45 -16.941 -14.453 -16.499 1.00 0.00 N ATOM 670 CA GLU A 45 -17.845 -15.570 -16.301 1.00 0.00 C ATOM 671 C GLU A 45 -19.280 -15.080 -16.136 1.00 0.00 C ATOM 672 O GLU A 45 -20.224 -15.731 -16.584 1.00 0.00 O ATOM 673 CB GLU A 45 -17.426 -16.342 -15.052 1.00 0.00 C ATOM 674 CG GLU A 45 -15.932 -16.666 -15.122 1.00 0.00 C ATOM 675 CD GLU A 45 -15.730 -18.095 -15.613 1.00 0.00 C ATOM 676 OE1 GLU A 45 -16.117 -19.006 -14.899 1.00 0.00 O ATOM 677 OE2 GLU A 45 -15.192 -18.259 -16.696 1.00 0.00 O ATOM 0 H GLU A 45 -16.355 -14.238 -15.692 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.797 -16.219 -17.176 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.639 -15.752 -14.160 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.004 -17.263 -14.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.431 -15.968 -15.793 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.479 -16.543 -14.138 1.00 0.00 H new ATOM 684 N HIS A 46 -19.439 -13.931 -15.483 1.00 0.00 N ATOM 685 CA HIS A 46 -20.768 -13.373 -15.260 1.00 0.00 C ATOM 686 C HIS A 46 -20.935 -12.052 -16.000 1.00 0.00 C ATOM 687 O HIS A 46 -21.907 -11.854 -16.730 1.00 0.00 O ATOM 688 CB HIS A 46 -20.997 -13.154 -13.765 1.00 0.00 C ATOM 689 CG HIS A 46 -20.883 -14.468 -13.043 1.00 0.00 C ATOM 690 ND1 HIS A 46 -19.658 -15.026 -12.710 1.00 0.00 N ATOM 691 CD2 HIS A 46 -21.832 -15.349 -12.584 1.00 0.00 C ATOM 692 CE1 HIS A 46 -19.900 -16.189 -12.079 1.00 0.00 C ATOM 693 NE2 HIS A 46 -21.209 -16.434 -11.975 1.00 0.00 N ATOM 0 H HIS A 46 -18.673 -13.375 -15.103 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.503 -14.081 -15.643 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.265 -12.447 -13.374 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.982 -12.719 -13.597 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -22.900 -15.219 -12.681 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -19.129 -16.845 -11.702 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -21.656 -17.242 -11.542 1.00 0.00 H new ATOM 701 N SER A 47 -19.983 -11.151 -15.805 1.00 0.00 N ATOM 702 CA SER A 47 -20.036 -9.847 -16.454 1.00 0.00 C ATOM 703 C SER A 47 -21.324 -9.121 -16.083 1.00 0.00 C ATOM 704 O SER A 47 -22.146 -9.640 -15.326 1.00 0.00 O ATOM 705 CB SER A 47 -19.961 -10.014 -17.971 1.00 0.00 C ATOM 706 OG SER A 47 -18.665 -9.643 -18.421 1.00 0.00 O ATOM 0 H SER A 47 -19.169 -11.296 -15.207 1.00 0.00 H new ATOM 0 HA SER A 47 -19.186 -9.256 -16.113 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.172 -11.048 -18.245 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.717 -9.395 -18.454 1.00 0.00 H new ATOM 0 HG SER A 47 -18.331 -10.318 -19.048 1.00 0.00 H new ATOM 712 N MET A 48 -21.489 -7.916 -16.617 1.00 0.00 N ATOM 713 CA MET A 48 -22.678 -7.120 -16.334 1.00 0.00 C ATOM 714 C MET A 48 -22.688 -6.680 -14.875 1.00 0.00 C ATOM 715 O MET A 48 -23.744 -6.432 -14.294 1.00 0.00 O ATOM 716 CB MET A 48 -23.941 -7.929 -16.637 1.00 0.00 C ATOM 717 CG MET A 48 -24.867 -7.112 -17.539 1.00 0.00 C ATOM 718 SD MET A 48 -26.336 -8.090 -17.941 1.00 0.00 S ATOM 719 CE MET A 48 -27.509 -7.163 -16.922 1.00 0.00 C ATOM 0 H MET A 48 -20.819 -7.471 -17.244 1.00 0.00 H new ATOM 0 HA MET A 48 -22.659 -6.235 -16.971 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.676 -8.867 -17.124 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.453 -8.185 -15.709 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.158 -6.188 -17.038 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.345 -6.828 -18.453 1.00 0.00 H new ATOM 0 HE1 MET A 48 -28.502 -7.602 -17.020 1.00 0.00 H new ATOM 0 HE2 MET A 48 -27.195 -7.203 -15.879 1.00 0.00 H new ATOM 0 HE3 MET A 48 -27.537 -6.125 -17.253 1.00 0.00 H new ATOM 729 N ASP A 49 -21.500 -6.584 -14.298 1.00 0.00 N ATOM 730 CA ASP A 49 -21.356 -6.169 -12.908 1.00 0.00 C ATOM 731 C ASP A 49 -19.950 -5.633 -12.676 1.00 0.00 C ATOM 732 O ASP A 49 -19.751 -4.668 -11.939 1.00 0.00 O ATOM 733 CB ASP A 49 -21.618 -7.354 -11.978 1.00 0.00 C ATOM 734 CG ASP A 49 -22.959 -7.994 -12.321 1.00 0.00 C ATOM 735 OD1 ASP A 49 -23.038 -8.637 -13.356 1.00 0.00 O ATOM 736 OD2 ASP A 49 -23.887 -7.833 -11.547 1.00 0.00 O ATOM 0 H ASP A 49 -20.619 -6.788 -14.770 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.081 -5.384 -12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -20.819 -8.088 -12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -21.619 -7.020 -10.940 1.00 0.00 H new ATOM 741 N THR A 50 -18.980 -6.270 -13.319 1.00 0.00 N ATOM 742 CA THR A 50 -17.588 -5.861 -13.193 1.00 0.00 C ATOM 743 C THR A 50 -17.303 -4.643 -14.070 1.00 0.00 C ATOM 744 O THR A 50 -16.588 -3.727 -13.665 1.00 0.00 O ATOM 745 CB THR A 50 -16.670 -7.016 -13.613 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.455 -6.489 -14.123 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.354 -7.856 -14.696 1.00 0.00 C ATOM 0 H THR A 50 -19.132 -7.071 -13.932 1.00 0.00 H new ATOM 0 HA THR A 50 -17.398 -5.598 -12.153 1.00 0.00 H new ATOM 0 HB THR A 50 -16.464 -7.645 -12.747 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.081 -7.109 -14.783 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.697 -8.675 -14.990 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.288 -8.262 -14.306 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.564 -7.230 -15.563 1.00 0.00 H new ATOM 755 N LEU A 51 -17.856 -4.653 -15.278 1.00 0.00 N ATOM 756 CA LEU A 51 -17.651 -3.561 -16.222 1.00 0.00 C ATOM 757 C LEU A 51 -18.268 -2.250 -15.734 1.00 0.00 C ATOM 758 O LEU A 51 -17.607 -1.213 -15.718 1.00 0.00 O ATOM 759 CB LEU A 51 -18.258 -3.935 -17.575 1.00 0.00 C ATOM 760 CG LEU A 51 -18.068 -5.434 -17.819 1.00 0.00 C ATOM 761 CD1 LEU A 51 -19.362 -6.175 -17.472 1.00 0.00 C ATOM 762 CD2 LEU A 51 -17.723 -5.682 -19.292 1.00 0.00 C ATOM 0 H LEU A 51 -18.450 -5.406 -15.626 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.576 -3.406 -16.316 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.319 -3.684 -17.592 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.782 -3.362 -18.371 1.00 0.00 H new ATOM 0 HG LEU A 51 -17.255 -5.798 -17.191 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.228 -7.243 -17.646 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.608 -6.006 -16.424 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.173 -5.805 -18.099 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -17.589 -6.751 -19.459 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -18.533 -5.315 -19.922 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.801 -5.157 -19.543 1.00 0.00 H new ATOM 774 N LEU A 52 -19.545 -2.295 -15.367 1.00 0.00 N ATOM 775 CA LEU A 52 -20.249 -1.096 -14.918 1.00 0.00 C ATOM 776 C LEU A 52 -19.695 -0.560 -13.599 1.00 0.00 C ATOM 777 O LEU A 52 -19.451 0.639 -13.466 1.00 0.00 O ATOM 778 CB LEU A 52 -21.740 -1.401 -14.751 1.00 0.00 C ATOM 779 CG LEU A 52 -21.919 -2.847 -14.281 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.200 -2.957 -13.453 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.014 -3.783 -15.492 1.00 0.00 C ATOM 0 H LEU A 52 -20.112 -3.143 -15.371 1.00 0.00 H new ATOM 0 HA LEU A 52 -20.101 -0.330 -15.679 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.183 -0.716 -14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.261 -1.248 -15.696 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.061 -3.134 -13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.329 -3.986 -13.117 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.131 -2.299 -12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.054 -2.665 -14.064 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.141 -4.810 -15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -22.868 -3.497 -16.107 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.101 -3.708 -16.082 1.00 0.00 H new ATOM 793 N ALA A 53 -19.519 -1.439 -12.622 1.00 0.00 N ATOM 794 CA ALA A 53 -19.020 -1.020 -11.316 1.00 0.00 C ATOM 795 C ALA A 53 -17.678 -0.301 -11.439 1.00 0.00 C ATOM 796 O ALA A 53 -17.477 0.759 -10.848 1.00 0.00 O ATOM 797 CB ALA A 53 -18.860 -2.239 -10.408 1.00 0.00 C ATOM 0 H ALA A 53 -19.712 -2.437 -12.705 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.744 -0.327 -10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.487 -1.921 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.825 -2.730 -10.284 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.153 -2.937 -10.857 1.00 0.00 H new ATOM 803 N THR A 54 -16.765 -0.890 -12.199 1.00 0.00 N ATOM 804 CA THR A 54 -15.445 -0.307 -12.384 1.00 0.00 C ATOM 805 C THR A 54 -15.503 0.971 -13.217 1.00 0.00 C ATOM 806 O THR A 54 -14.932 1.994 -12.842 1.00 0.00 O ATOM 807 CB THR A 54 -14.537 -1.324 -13.069 1.00 0.00 C ATOM 808 OG1 THR A 54 -15.201 -1.858 -14.207 1.00 0.00 O ATOM 809 CG2 THR A 54 -14.208 -2.449 -12.087 1.00 0.00 C ATOM 0 H THR A 54 -16.914 -1.768 -12.696 1.00 0.00 H new ATOM 0 HA THR A 54 -15.049 -0.047 -11.403 1.00 0.00 H new ATOM 0 HB THR A 54 -13.614 -0.839 -13.386 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.652 -2.693 -13.961 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.559 -3.178 -12.573 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.700 -2.035 -11.216 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.130 -2.937 -11.771 1.00 0.00 H new ATOM 817 N LEU A 55 -16.176 0.899 -14.357 1.00 0.00 N ATOM 818 CA LEU A 55 -16.281 2.049 -15.247 1.00 0.00 C ATOM 819 C LEU A 55 -17.033 3.202 -14.585 1.00 0.00 C ATOM 820 O LEU A 55 -16.624 4.358 -14.691 1.00 0.00 O ATOM 821 CB LEU A 55 -17.001 1.641 -16.534 1.00 0.00 C ATOM 822 CG LEU A 55 -15.995 1.056 -17.533 1.00 0.00 C ATOM 823 CD1 LEU A 55 -15.036 0.104 -16.813 1.00 0.00 C ATOM 824 CD2 LEU A 55 -16.751 0.285 -18.618 1.00 0.00 C ATOM 0 H LEU A 55 -16.656 0.061 -14.687 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.271 2.390 -15.477 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.774 0.906 -16.311 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.500 2.506 -16.971 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.424 1.868 -17.983 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.325 -0.307 -17.530 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.496 0.648 -16.038 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.603 -0.708 -16.358 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.039 -0.133 -19.330 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.322 -0.523 -18.160 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.431 0.960 -19.138 1.00 0.00 H new ATOM 836 N LYS A 56 -18.139 2.888 -13.919 1.00 0.00 N ATOM 837 CA LYS A 56 -18.943 3.919 -13.265 1.00 0.00 C ATOM 838 C LYS A 56 -18.252 4.466 -12.014 1.00 0.00 C ATOM 839 O LYS A 56 -18.669 5.486 -11.468 1.00 0.00 O ATOM 840 CB LYS A 56 -20.318 3.354 -12.891 1.00 0.00 C ATOM 841 CG LYS A 56 -20.297 2.849 -11.446 1.00 0.00 C ATOM 842 CD LYS A 56 -21.436 1.847 -11.232 1.00 0.00 C ATOM 843 CE LYS A 56 -22.775 2.590 -11.170 1.00 0.00 C ATOM 844 NZ LYS A 56 -22.939 3.218 -9.828 1.00 0.00 N ATOM 0 H LYS A 56 -18.498 1.939 -13.817 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.063 4.742 -13.970 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -21.081 4.124 -13.005 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.583 2.540 -13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.339 2.377 -11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.402 3.687 -10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -21.450 1.120 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.275 1.291 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -22.815 3.354 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -23.595 1.898 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.916 3.559 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -22.735 2.516 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -22.281 4.018 -9.736 1.00 0.00 H new ATOM 858 N LYS A 57 -17.205 3.786 -11.556 1.00 0.00 N ATOM 859 CA LYS A 57 -16.494 4.232 -10.360 1.00 0.00 C ATOM 860 C LYS A 57 -15.903 5.625 -10.566 1.00 0.00 C ATOM 861 O LYS A 57 -15.980 6.475 -9.679 1.00 0.00 O ATOM 862 CB LYS A 57 -15.379 3.243 -10.005 1.00 0.00 C ATOM 863 CG LYS A 57 -15.645 2.649 -8.617 1.00 0.00 C ATOM 864 CD LYS A 57 -14.486 1.732 -8.221 1.00 0.00 C ATOM 865 CE LYS A 57 -14.166 1.928 -6.738 1.00 0.00 C ATOM 866 NZ LYS A 57 -13.725 3.332 -6.506 1.00 0.00 N ATOM 0 H LYS A 57 -16.834 2.938 -11.985 1.00 0.00 H new ATOM 0 HA LYS A 57 -17.209 4.276 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.333 2.448 -10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.413 3.748 -10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.757 3.448 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.580 2.089 -8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.749 0.692 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.608 1.956 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.045 1.707 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.384 1.234 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.983 3.347 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.349 3.729 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.534 3.902 -6.187 1.00 0.00 H new ATOM 880 N THR A 58 -15.315 5.857 -11.737 1.00 0.00 N ATOM 881 CA THR A 58 -14.721 7.155 -12.031 1.00 0.00 C ATOM 882 C THR A 58 -15.778 8.124 -12.552 1.00 0.00 C ATOM 883 O THR A 58 -15.479 9.280 -12.854 1.00 0.00 O ATOM 884 CB THR A 58 -13.615 6.998 -13.077 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.376 5.617 -13.308 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.335 7.665 -12.571 1.00 0.00 C ATOM 0 H THR A 58 -15.238 5.171 -12.488 1.00 0.00 H new ATOM 0 HA THR A 58 -14.298 7.556 -11.110 1.00 0.00 H new ATOM 0 HB THR A 58 -13.924 7.472 -14.009 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.389 5.439 -14.272 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.547 7.553 -13.316 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.521 8.725 -12.396 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.023 7.193 -11.639 1.00 0.00 H new ATOM 894 N GLY A 59 -17.013 7.648 -12.651 1.00 0.00 N ATOM 895 CA GLY A 59 -18.105 8.484 -13.134 1.00 0.00 C ATOM 896 C GLY A 59 -18.126 8.531 -14.658 1.00 0.00 C ATOM 897 O GLY A 59 -18.802 9.370 -15.253 1.00 0.00 O ATOM 0 H GLY A 59 -17.282 6.695 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.055 8.096 -12.766 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.998 9.493 -12.737 1.00 0.00 H new ATOM 901 N ALA A 60 -17.385 7.623 -15.284 1.00 0.00 N ATOM 902 CA ALA A 60 -17.330 7.571 -16.742 1.00 0.00 C ATOM 903 C ALA A 60 -18.601 6.941 -17.301 1.00 0.00 C ATOM 904 O ALA A 60 -19.119 5.972 -16.746 1.00 0.00 O ATOM 905 CB ALA A 60 -16.115 6.756 -17.191 1.00 0.00 C ATOM 0 H ALA A 60 -16.819 6.919 -14.811 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.243 8.589 -17.121 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.082 6.722 -18.280 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.205 7.222 -16.814 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.192 5.742 -16.799 1.00 0.00 H new ATOM 911 N THR A 61 -19.099 7.495 -18.401 1.00 0.00 N ATOM 912 CA THR A 61 -20.310 6.975 -19.024 1.00 0.00 C ATOM 913 C THR A 61 -20.102 5.530 -19.467 1.00 0.00 C ATOM 914 O THR A 61 -19.105 5.207 -20.111 1.00 0.00 O ATOM 915 CB THR A 61 -20.686 7.830 -20.236 1.00 0.00 C ATOM 916 OG1 THR A 61 -20.883 9.175 -19.824 1.00 0.00 O ATOM 917 CG2 THR A 61 -21.975 7.292 -20.861 1.00 0.00 C ATOM 0 H THR A 61 -18.687 8.298 -18.876 1.00 0.00 H new ATOM 0 HA THR A 61 -21.116 7.010 -18.292 1.00 0.00 H new ATOM 0 HB THR A 61 -19.883 7.790 -20.972 1.00 0.00 H new ATOM 0 HG1 THR A 61 -21.122 9.723 -20.600 1.00 0.00 H new ATOM 0 HG21 THR A 61 -22.243 7.901 -21.724 1.00 0.00 H new ATOM 0 HG22 THR A 61 -21.823 6.260 -21.178 1.00 0.00 H new ATOM 0 HG23 THR A 61 -22.779 7.331 -20.126 1.00 0.00 H new ATOM 925 N VAL A 62 -21.047 4.666 -19.117 1.00 0.00 N ATOM 926 CA VAL A 62 -20.953 3.258 -19.487 1.00 0.00 C ATOM 927 C VAL A 62 -22.136 2.852 -20.360 1.00 0.00 C ATOM 928 O VAL A 62 -23.286 3.164 -20.049 1.00 0.00 O ATOM 929 CB VAL A 62 -20.919 2.389 -18.230 1.00 0.00 C ATOM 930 CG1 VAL A 62 -22.296 2.401 -17.564 1.00 0.00 C ATOM 931 CG2 VAL A 62 -20.554 0.955 -18.617 1.00 0.00 C ATOM 0 H VAL A 62 -21.880 4.912 -18.582 1.00 0.00 H new ATOM 0 HA VAL A 62 -20.033 3.111 -20.053 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.176 2.781 -17.535 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.272 1.781 -16.668 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.560 3.423 -17.292 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.039 2.007 -18.257 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -20.529 0.332 -17.723 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -21.299 0.564 -19.310 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.574 0.945 -19.094 1.00 0.00 H new ATOM 941 N SER A 63 -21.846 2.157 -21.455 1.00 0.00 N ATOM 942 CA SER A 63 -22.894 1.715 -22.371 1.00 0.00 C ATOM 943 C SER A 63 -22.835 0.203 -22.571 1.00 0.00 C ATOM 944 O SER A 63 -21.836 -0.329 -23.056 1.00 0.00 O ATOM 945 CB SER A 63 -22.730 2.414 -23.721 1.00 0.00 C ATOM 946 OG SER A 63 -23.033 3.796 -23.576 1.00 0.00 O ATOM 0 H SER A 63 -20.901 1.889 -21.729 1.00 0.00 H new ATOM 0 HA SER A 63 -23.860 1.973 -21.938 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.710 2.290 -24.086 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.390 1.961 -24.460 1.00 0.00 H new ATOM 0 HG SER A 63 -22.927 4.247 -24.440 1.00 0.00 H new ATOM 952 N TYR A 64 -23.913 -0.481 -22.201 1.00 0.00 N ATOM 953 CA TYR A 64 -23.975 -1.932 -22.349 1.00 0.00 C ATOM 954 C TYR A 64 -24.395 -2.301 -23.770 1.00 0.00 C ATOM 955 O TYR A 64 -25.540 -2.086 -24.164 1.00 0.00 O ATOM 956 CB TYR A 64 -24.971 -2.514 -21.341 1.00 0.00 C ATOM 957 CG TYR A 64 -25.554 -3.801 -21.875 1.00 0.00 C ATOM 958 CD1 TYR A 64 -24.892 -5.015 -21.655 1.00 0.00 C ATOM 959 CD2 TYR A 64 -26.760 -3.780 -22.587 1.00 0.00 C ATOM 960 CE1 TYR A 64 -25.436 -6.207 -22.147 1.00 0.00 C ATOM 961 CE2 TYR A 64 -27.303 -4.972 -23.080 1.00 0.00 C ATOM 962 CZ TYR A 64 -26.641 -6.186 -22.860 1.00 0.00 C ATOM 963 OH TYR A 64 -27.177 -7.362 -23.345 1.00 0.00 O ATOM 0 H TYR A 64 -24.750 -0.058 -21.799 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.986 -2.349 -22.157 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -24.472 -2.698 -20.389 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -25.768 -1.796 -21.149 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -23.962 -5.032 -21.106 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -27.271 -2.844 -22.756 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -24.926 -7.144 -21.977 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -28.232 -4.955 -23.630 1.00 0.00 H new ATOM 0 HH TYR A 64 -28.015 -7.170 -23.815 1.00 0.00 H new ATOM 973 N LEU A 65 -23.457 -2.853 -24.533 1.00 0.00 N ATOM 974 CA LEU A 65 -23.740 -3.244 -25.910 1.00 0.00 C ATOM 975 C LEU A 65 -24.327 -4.650 -25.962 1.00 0.00 C ATOM 976 O LEU A 65 -25.301 -4.900 -26.672 1.00 0.00 O ATOM 977 CB LEU A 65 -22.457 -3.195 -26.742 1.00 0.00 C ATOM 978 CG LEU A 65 -21.790 -1.826 -26.574 1.00 0.00 C ATOM 979 CD1 LEU A 65 -20.317 -1.910 -26.986 1.00 0.00 C ATOM 980 CD2 LEU A 65 -22.502 -0.802 -27.460 1.00 0.00 C ATOM 0 H LEU A 65 -22.502 -3.039 -24.225 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.468 -2.545 -26.321 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.775 -3.985 -26.425 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.685 -3.373 -27.793 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.856 -1.522 -25.529 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.849 -0.933 -26.864 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.805 -2.639 -26.358 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.248 -2.218 -28.029 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -22.029 0.173 -27.342 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.435 -1.114 -28.502 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.550 -0.734 -27.168 1.00 0.00 H new ATOM 992 N GLY A 66 -23.728 -5.565 -25.208 1.00 0.00 N ATOM 993 CA GLY A 66 -24.204 -6.943 -25.182 1.00 0.00 C ATOM 994 C GLY A 66 -23.049 -7.916 -24.972 1.00 0.00 C ATOM 995 O GLY A 66 -21.924 -7.508 -24.684 1.00 0.00 O ATOM 0 H GLY A 66 -22.921 -5.381 -24.613 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -24.936 -7.064 -24.383 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -24.713 -7.174 -26.118 1.00 0.00 H new