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 180:sc= 0.861 USER MOD Set 1.2: A 58 THR OG1 : rot 79:sc= 0.12 USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= -0.255 (180deg=-1.02) USER MOD Single : A 4 HIS : no HD1:sc= -2.05 K(o=-2,f=-2.9!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 159:sc= -0.117 (180deg=-1.08) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -83:sc= 0.00709 USER MOD Single : A 24 ASN : amide:sc= -2.22! K(o=-2.2!,f=1.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 : amide:sc= -0.701 K(o=-0.7,f=-0.16) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -0.0152 (180deg=-0.575) USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= -1.54 (180deg=-4.15!) USER MOD Single : A 41 CYS SG : rot 180:sc=-0.00228 USER MOD Single : A 44 SER OG : rot 180:sc= -0.409 USER MOD Single : A 46 HIS : no HD1:sc= -2.11! X(o=-2.1!,f=-1.7) USER MOD Single : A 47 SER OG : rot 180:sc= -0.171 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -170:sc= -0.399 USER MOD Single : A 54 THR OG1 : rot 88:sc= -0.236 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= -2.87! (180deg=-3.97!) USER MOD Single : A 61 THR OG1 : rot 43:sc= 0.0896 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -18.254 -16.881 -22.742 1.00 0.00 N ATOM 21 CA PRO A 2 -18.520 -15.815 -23.745 1.00 0.00 C ATOM 22 C PRO A 2 -17.838 -14.499 -23.384 1.00 0.00 C ATOM 23 O PRO A 2 -17.737 -14.143 -22.211 1.00 0.00 O ATOM 24 CB PRO A 2 -20.040 -15.669 -23.707 1.00 0.00 C ATOM 25 CG PRO A 2 -20.444 -16.068 -22.323 1.00 0.00 C ATOM 26 CD PRO A 2 -19.376 -17.038 -21.804 1.00 0.00 C ATOM 0 HA PRO A 2 -18.131 -16.070 -24.731 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -20.342 -14.644 -23.924 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.514 -16.306 -24.454 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -20.518 -15.194 -21.676 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -21.425 -16.543 -22.330 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -19.079 -16.794 -20.784 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -19.743 -18.064 -21.792 1.00 0.00 H new ATOM 34 N LYS A 3 -17.376 -13.778 -24.401 1.00 0.00 N ATOM 35 CA LYS A 3 -16.709 -12.500 -24.175 1.00 0.00 C ATOM 36 C LYS A 3 -17.737 -11.381 -24.063 1.00 0.00 C ATOM 37 O LYS A 3 -18.807 -11.448 -24.669 1.00 0.00 O ATOM 38 CB LYS A 3 -15.746 -12.202 -25.327 1.00 0.00 C ATOM 39 CG LYS A 3 -14.989 -13.477 -25.701 1.00 0.00 C ATOM 40 CD LYS A 3 -14.054 -13.190 -26.878 1.00 0.00 C ATOM 41 CE LYS A 3 -13.355 -14.481 -27.302 1.00 0.00 C ATOM 42 NZ LYS A 3 -12.956 -15.251 -26.089 1.00 0.00 N ATOM 0 H LYS A 3 -17.450 -14.053 -25.380 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.147 -12.560 -23.243 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.298 -11.828 -26.189 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.043 -11.421 -25.035 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.415 -13.836 -24.846 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.693 -14.266 -25.966 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.620 -12.779 -27.714 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.315 -12.440 -26.595 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.020 -15.080 -27.924 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.477 -14.251 -27.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.257 -15.975 -26.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.539 -14.605 -25.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.794 -15.711 -25.679 1.00 0.00 H new ATOM 56 N HIS A 4 -17.415 -10.353 -23.280 1.00 0.00 N ATOM 57 CA HIS A 4 -18.334 -9.238 -23.103 1.00 0.00 C ATOM 58 C HIS A 4 -17.771 -7.965 -23.724 1.00 0.00 C ATOM 59 O HIS A 4 -16.599 -7.636 -23.540 1.00 0.00 O ATOM 60 CB HIS A 4 -18.596 -9.004 -21.614 1.00 0.00 C ATOM 61 CG HIS A 4 -19.902 -8.278 -21.446 1.00 0.00 C ATOM 62 ND1 HIS A 4 -20.827 -8.175 -22.473 1.00 0.00 N ATOM 63 CD2 HIS A 4 -20.451 -7.612 -20.378 1.00 0.00 C ATOM 64 CE1 HIS A 4 -21.875 -7.470 -22.006 1.00 0.00 C ATOM 65 NE2 HIS A 4 -21.697 -7.103 -20.734 1.00 0.00 N ATOM 0 H HIS A 4 -16.538 -10.272 -22.766 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.269 -9.489 -23.604 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.626 -9.956 -21.084 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.785 -8.422 -21.178 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -19.987 -7.500 -19.409 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -22.752 -7.231 -22.589 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -22.337 -6.565 -20.149 1.00 0.00 H new ATOM 73 N GLU A 5 -18.621 -7.251 -24.455 1.00 0.00 N ATOM 74 CA GLU A 5 -18.208 -6.009 -25.095 1.00 0.00 C ATOM 75 C GLU A 5 -18.847 -4.820 -24.387 1.00 0.00 C ATOM 76 O GLU A 5 -20.058 -4.793 -24.172 1.00 0.00 O ATOM 77 CB GLU A 5 -18.622 -6.016 -26.567 1.00 0.00 C ATOM 78 CG GLU A 5 -17.925 -7.169 -27.291 1.00 0.00 C ATOM 79 CD GLU A 5 -18.063 -6.996 -28.799 1.00 0.00 C ATOM 80 OE1 GLU A 5 -17.493 -6.052 -29.321 1.00 0.00 O ATOM 81 OE2 GLU A 5 -18.738 -7.809 -29.410 1.00 0.00 O ATOM 0 H GLU A 5 -19.594 -7.510 -24.618 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.123 -5.923 -25.029 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.704 -6.122 -26.650 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.358 -5.067 -27.034 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.871 -7.199 -27.015 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.362 -8.119 -26.984 1.00 0.00 H new ATOM 88 N PHE A 6 -18.027 -3.840 -24.027 1.00 0.00 N ATOM 89 CA PHE A 6 -18.529 -2.656 -23.341 1.00 0.00 C ATOM 90 C PHE A 6 -17.839 -1.402 -23.869 1.00 0.00 C ATOM 91 O PHE A 6 -16.683 -1.450 -24.293 1.00 0.00 O ATOM 92 CB PHE A 6 -18.290 -2.787 -21.831 1.00 0.00 C ATOM 93 CG PHE A 6 -19.585 -2.567 -21.087 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.044 -1.266 -20.851 1.00 0.00 C ATOM 95 CD2 PHE A 6 -20.326 -3.665 -20.631 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.244 -1.062 -20.158 1.00 0.00 C ATOM 97 CE2 PHE A 6 -21.525 -3.461 -19.938 1.00 0.00 C ATOM 98 CZ PHE A 6 -21.984 -2.160 -19.702 1.00 0.00 C ATOM 0 H PHE A 6 -17.021 -3.841 -24.197 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.599 -2.571 -23.529 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -17.891 -3.775 -21.601 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -17.546 -2.060 -21.507 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -19.473 -0.420 -21.203 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.972 -4.669 -20.814 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -21.598 -0.058 -19.975 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -22.096 -4.307 -19.585 1.00 0.00 H new ATOM 0 HZ PHE A 6 -22.909 -2.003 -19.168 1.00 0.00 H new ATOM 108 N SER A 7 -18.555 -0.282 -23.845 1.00 0.00 N ATOM 109 CA SER A 7 -18.002 0.980 -24.329 1.00 0.00 C ATOM 110 C SER A 7 -18.097 2.050 -23.247 1.00 0.00 C ATOM 111 O SER A 7 -19.194 2.429 -22.835 1.00 0.00 O ATOM 112 CB SER A 7 -18.762 1.438 -25.574 1.00 0.00 C ATOM 113 OG SER A 7 -17.917 2.261 -26.366 1.00 0.00 O ATOM 0 H SER A 7 -19.512 -0.221 -23.498 1.00 0.00 H new ATOM 0 HA SER A 7 -16.953 0.827 -24.583 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.091 0.574 -26.151 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.657 1.988 -25.285 1.00 0.00 H new ATOM 0 HG SER A 7 -18.402 2.554 -27.166 1.00 0.00 H new ATOM 119 N VAL A 8 -16.947 2.529 -22.785 1.00 0.00 N ATOM 120 CA VAL A 8 -16.928 3.549 -21.745 1.00 0.00 C ATOM 121 C VAL A 8 -16.017 4.711 -22.128 1.00 0.00 C ATOM 122 O VAL A 8 -14.828 4.523 -22.383 1.00 0.00 O ATOM 123 CB VAL A 8 -16.446 2.940 -20.428 1.00 0.00 C ATOM 124 CG1 VAL A 8 -14.971 2.555 -20.554 1.00 0.00 C ATOM 125 CG2 VAL A 8 -16.610 3.967 -19.305 1.00 0.00 C ATOM 0 H VAL A 8 -16.027 2.231 -23.110 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.943 3.929 -21.628 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.035 2.052 -20.200 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.627 2.121 -19.615 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.852 1.826 -21.356 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.381 3.443 -20.781 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.267 3.536 -18.365 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.019 4.854 -19.534 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.660 4.244 -19.216 1.00 0.00 H new ATOM 135 N ASP A 9 -16.581 5.915 -22.149 1.00 0.00 N ATOM 136 CA ASP A 9 -15.808 7.105 -22.483 1.00 0.00 C ATOM 137 C ASP A 9 -14.965 7.521 -21.283 1.00 0.00 C ATOM 138 O ASP A 9 -15.500 7.908 -20.245 1.00 0.00 O ATOM 139 CB ASP A 9 -16.745 8.249 -22.873 1.00 0.00 C ATOM 140 CG ASP A 9 -16.051 9.176 -23.866 1.00 0.00 C ATOM 141 OD1 ASP A 9 -14.842 9.077 -23.994 1.00 0.00 O ATOM 142 OD2 ASP A 9 -16.739 9.974 -24.482 1.00 0.00 O ATOM 0 H ASP A 9 -17.564 6.091 -21.940 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.155 6.878 -23.326 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.658 7.848 -23.314 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.039 8.808 -21.985 1.00 0.00 H new ATOM 147 N MET A 10 -13.647 7.431 -21.423 1.00 0.00 N ATOM 148 CA MET A 10 -12.754 7.790 -20.328 1.00 0.00 C ATOM 149 C MET A 10 -12.831 9.285 -20.033 1.00 0.00 C ATOM 150 O MET A 10 -12.488 10.114 -20.875 1.00 0.00 O ATOM 151 CB MET A 10 -11.316 7.415 -20.687 1.00 0.00 C ATOM 152 CG MET A 10 -11.113 5.912 -20.486 1.00 0.00 C ATOM 153 SD MET A 10 -9.545 5.409 -21.235 1.00 0.00 S ATOM 154 CE MET A 10 -8.461 6.410 -20.188 1.00 0.00 C ATOM 0 H MET A 10 -13.178 7.117 -22.272 1.00 0.00 H new ATOM 0 HA MET A 10 -13.065 7.242 -19.439 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.106 7.685 -21.722 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.617 7.973 -20.064 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.113 5.673 -19.422 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.937 5.359 -20.937 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.453 5.997 -20.208 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.441 7.435 -20.560 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.835 6.403 -19.164 1.00 0.00 H new ATOM 164 N THR A 11 -13.274 9.619 -18.824 1.00 0.00 N ATOM 165 CA THR A 11 -13.382 11.015 -18.417 1.00 0.00 C ATOM 166 C THR A 11 -12.334 11.341 -17.358 1.00 0.00 C ATOM 167 O THR A 11 -11.859 12.473 -17.268 1.00 0.00 O ATOM 168 CB THR A 11 -14.782 11.295 -17.865 1.00 0.00 C ATOM 169 OG1 THR A 11 -14.848 12.638 -17.407 1.00 0.00 O ATOM 170 CG2 THR A 11 -15.077 10.344 -16.704 1.00 0.00 C ATOM 0 H THR A 11 -13.562 8.946 -18.114 1.00 0.00 H new ATOM 0 HA THR A 11 -13.210 11.645 -19.289 1.00 0.00 H new ATOM 0 HB THR A 11 -15.520 11.141 -18.653 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.744 12.820 -17.055 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.074 10.546 -16.313 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.027 9.314 -17.056 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.341 10.494 -15.915 1.00 0.00 H new ATOM 178 N CYS A 12 -11.982 10.339 -16.559 1.00 0.00 N ATOM 179 CA CYS A 12 -10.991 10.522 -15.504 1.00 0.00 C ATOM 180 C CYS A 12 -9.668 9.874 -15.894 1.00 0.00 C ATOM 181 O CYS A 12 -8.973 9.318 -15.047 1.00 0.00 O ATOM 182 CB CYS A 12 -11.498 9.907 -14.198 1.00 0.00 C ATOM 183 SG CYS A 12 -12.696 11.025 -13.429 1.00 0.00 S ATOM 0 H CYS A 12 -12.366 9.396 -16.621 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.831 11.591 -15.363 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.961 8.940 -14.395 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.664 9.729 -13.520 1.00 0.00 H new ATOM 0 HG CYS A 12 -13.129 10.502 -12.320 1.00 0.00 H new ATOM 189 N GLY A 13 -9.327 9.952 -17.179 1.00 0.00 N ATOM 190 CA GLY A 13 -8.081 9.368 -17.672 1.00 0.00 C ATOM 191 C GLY A 13 -7.099 9.139 -16.529 1.00 0.00 C ATOM 192 O GLY A 13 -6.548 8.049 -16.376 1.00 0.00 O ATOM 0 H GLY A 13 -9.892 10.411 -17.894 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.291 8.422 -18.172 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.634 10.029 -18.415 1.00 0.00 H new ATOM 196 N GLY A 14 -6.895 10.175 -15.721 1.00 0.00 N ATOM 197 CA GLY A 14 -5.990 10.080 -14.583 1.00 0.00 C ATOM 198 C GLY A 14 -6.516 9.081 -13.556 1.00 0.00 C ATOM 199 O GLY A 14 -5.807 8.160 -13.149 1.00 0.00 O ATOM 0 H GLY A 14 -7.342 11.085 -15.833 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.001 9.772 -14.923 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.877 11.060 -14.119 1.00 0.00 H new ATOM 203 N CYS A 15 -7.767 9.270 -13.143 1.00 0.00 N ATOM 204 CA CYS A 15 -8.387 8.384 -12.163 1.00 0.00 C ATOM 205 C CYS A 15 -9.002 7.164 -12.847 1.00 0.00 C ATOM 206 O CYS A 15 -8.850 6.038 -12.376 1.00 0.00 O ATOM 207 CB CYS A 15 -9.470 9.138 -11.390 1.00 0.00 C ATOM 208 SG CYS A 15 -9.110 9.061 -9.618 1.00 0.00 S ATOM 0 H CYS A 15 -8.369 10.026 -13.471 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.615 8.045 -11.472 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.511 10.176 -11.719 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.448 8.701 -11.593 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.029 9.704 -8.960 1.00 0.00 H new ATOM 214 N ALA A 16 -9.699 7.395 -13.958 1.00 0.00 N ATOM 215 CA ALA A 16 -10.331 6.301 -14.688 1.00 0.00 C ATOM 216 C ALA A 16 -9.304 5.222 -15.028 1.00 0.00 C ATOM 217 O ALA A 16 -9.630 4.035 -15.070 1.00 0.00 O ATOM 218 CB ALA A 16 -10.956 6.826 -15.982 1.00 0.00 C ATOM 0 H ALA A 16 -9.839 8.319 -14.368 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.107 5.870 -14.055 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.425 6.002 -16.520 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.708 7.579 -15.744 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.181 7.272 -16.606 1.00 0.00 H new ATOM 224 N GLU A 17 -8.066 5.641 -15.274 1.00 0.00 N ATOM 225 CA GLU A 17 -7.004 4.699 -15.613 1.00 0.00 C ATOM 226 C GLU A 17 -6.703 3.773 -14.438 1.00 0.00 C ATOM 227 O GLU A 17 -6.586 2.559 -14.608 1.00 0.00 O ATOM 228 CB GLU A 17 -5.735 5.463 -15.998 1.00 0.00 C ATOM 229 CG GLU A 17 -4.525 4.535 -15.885 1.00 0.00 C ATOM 230 CD GLU A 17 -3.328 5.152 -16.601 1.00 0.00 C ATOM 231 OE1 GLU A 17 -3.544 5.869 -17.564 1.00 0.00 O ATOM 232 OE2 GLU A 17 -2.212 4.898 -16.176 1.00 0.00 O ATOM 0 H GLU A 17 -7.775 6.618 -15.245 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.340 4.095 -16.456 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.821 5.843 -17.016 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.606 6.327 -15.346 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.284 4.364 -14.836 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.759 3.564 -16.320 1.00 0.00 H new ATOM 239 N ALA A 18 -6.586 4.349 -13.246 1.00 0.00 N ATOM 240 CA ALA A 18 -6.306 3.559 -12.053 1.00 0.00 C ATOM 241 C ALA A 18 -7.511 2.693 -11.709 1.00 0.00 C ATOM 242 O ALA A 18 -7.378 1.619 -11.122 1.00 0.00 O ATOM 243 CB ALA A 18 -5.979 4.481 -10.876 1.00 0.00 C ATOM 0 H ALA A 18 -6.680 5.351 -13.081 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.448 2.917 -12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.772 3.881 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.104 5.084 -11.119 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.828 5.136 -10.680 1.00 0.00 H new ATOM 249 N VAL A 19 -8.689 3.176 -12.084 1.00 0.00 N ATOM 250 CA VAL A 19 -9.928 2.458 -11.824 1.00 0.00 C ATOM 251 C VAL A 19 -10.012 1.190 -12.669 1.00 0.00 C ATOM 252 O VAL A 19 -10.525 0.165 -12.217 1.00 0.00 O ATOM 253 CB VAL A 19 -11.119 3.362 -12.137 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.390 2.519 -12.230 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.276 4.398 -11.022 1.00 0.00 C ATOM 0 H VAL A 19 -8.811 4.064 -12.570 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.947 2.173 -10.772 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.951 3.870 -13.087 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.239 3.165 -12.453 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.279 1.779 -13.022 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.560 2.011 -11.281 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.125 5.044 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.445 3.889 -10.073 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.370 5.000 -10.954 1.00 0.00 H new ATOM 265 N SER A 20 -9.519 1.267 -13.902 1.00 0.00 N ATOM 266 CA SER A 20 -9.560 0.120 -14.803 1.00 0.00 C ATOM 267 C SER A 20 -8.859 -1.083 -14.179 1.00 0.00 C ATOM 268 O SER A 20 -9.333 -2.213 -14.292 1.00 0.00 O ATOM 269 CB SER A 20 -8.886 0.475 -16.129 1.00 0.00 C ATOM 270 OG SER A 20 -7.544 0.007 -16.114 1.00 0.00 O ATOM 0 H SER A 20 -9.090 2.104 -14.297 1.00 0.00 H new ATOM 0 HA SER A 20 -10.604 -0.138 -14.982 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.431 0.025 -16.959 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.905 1.554 -16.283 1.00 0.00 H new ATOM 0 HG SER A 20 -6.976 0.658 -15.651 1.00 0.00 H new ATOM 276 N ARG A 21 -7.738 -0.836 -13.512 1.00 0.00 N ATOM 277 CA ARG A 21 -6.997 -1.914 -12.867 1.00 0.00 C ATOM 278 C ARG A 21 -7.899 -2.646 -11.876 1.00 0.00 C ATOM 279 O ARG A 21 -7.859 -3.871 -11.767 1.00 0.00 O ATOM 280 CB ARG A 21 -5.776 -1.347 -12.142 1.00 0.00 C ATOM 281 CG ARG A 21 -4.668 -1.070 -13.159 1.00 0.00 C ATOM 282 CD ARG A 21 -3.607 -0.169 -12.527 1.00 0.00 C ATOM 283 NE ARG A 21 -3.089 -0.780 -11.308 1.00 0.00 N ATOM 284 CZ ARG A 21 -2.329 -1.869 -11.355 1.00 0.00 C ATOM 285 NH1 ARG A 21 -2.035 -2.409 -12.507 1.00 0.00 N ATOM 286 NH2 ARG A 21 -1.877 -2.398 -10.250 1.00 0.00 N ATOM 0 H ARG A 21 -7.325 0.090 -13.404 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.661 -2.619 -13.628 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.043 -0.429 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.426 -2.053 -11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.217 -2.007 -13.485 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.085 -0.592 -14.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.793 -0.002 -13.233 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.037 0.807 -12.299 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.314 -0.364 -10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.389 -1.995 -13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.452 -3.245 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.107 -1.975 -9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.294 -3.234 -10.286 1.00 0.00 H new ATOM 300 N VAL A 22 -8.713 -1.878 -11.162 1.00 0.00 N ATOM 301 CA VAL A 22 -9.635 -2.440 -10.180 1.00 0.00 C ATOM 302 C VAL A 22 -10.577 -3.449 -10.840 1.00 0.00 C ATOM 303 O VAL A 22 -11.190 -4.272 -10.159 1.00 0.00 O ATOM 304 CB VAL A 22 -10.438 -1.306 -9.517 1.00 0.00 C ATOM 305 CG1 VAL A 22 -11.926 -1.667 -9.454 1.00 0.00 C ATOM 306 CG2 VAL A 22 -9.915 -1.080 -8.096 1.00 0.00 C ATOM 0 H VAL A 22 -8.754 -0.862 -11.244 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.061 -2.964 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.319 -0.399 -10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.478 -0.854 -8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.305 -1.825 -10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.055 -2.579 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.481 -0.278 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.030 -1.996 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.861 -0.806 -8.136 1.00 0.00 H new ATOM 316 N LEU A 23 -10.698 -3.373 -12.162 1.00 0.00 N ATOM 317 CA LEU A 23 -11.583 -4.277 -12.891 1.00 0.00 C ATOM 318 C LEU A 23 -11.187 -5.730 -12.644 1.00 0.00 C ATOM 319 O LEU A 23 -12.043 -6.612 -12.578 1.00 0.00 O ATOM 320 CB LEU A 23 -11.509 -3.976 -14.392 1.00 0.00 C ATOM 321 CG LEU A 23 -12.448 -4.912 -15.157 1.00 0.00 C ATOM 322 CD1 LEU A 23 -13.893 -4.440 -14.988 1.00 0.00 C ATOM 323 CD2 LEU A 23 -12.081 -4.895 -16.642 1.00 0.00 C ATOM 0 H LEU A 23 -10.200 -2.702 -12.746 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.602 -4.125 -12.536 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.785 -2.938 -14.578 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.486 -4.102 -14.747 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.349 -5.924 -14.765 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.560 -5.108 -15.533 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.157 -4.448 -13.930 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.993 -3.428 -15.380 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.748 -5.561 -17.189 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.181 -3.881 -17.030 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.051 -5.231 -16.766 1.00 0.00 H new ATOM 335 N ASN A 24 -9.891 -5.974 -12.500 1.00 0.00 N ATOM 336 CA ASN A 24 -9.407 -7.327 -12.251 1.00 0.00 C ATOM 337 C ASN A 24 -9.998 -7.872 -10.955 1.00 0.00 C ATOM 338 O ASN A 24 -10.306 -9.058 -10.851 1.00 0.00 O ATOM 339 CB ASN A 24 -7.882 -7.326 -12.154 1.00 0.00 C ATOM 340 CG ASN A 24 -7.276 -6.904 -13.487 1.00 0.00 C ATOM 341 OD1 ASN A 24 -6.587 -7.693 -14.134 1.00 0.00 O ATOM 342 ND2 ASN A 24 -7.493 -5.699 -13.940 1.00 0.00 N ATOM 0 H ASN A 24 -9.162 -5.262 -12.550 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.718 -7.964 -13.079 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.560 -6.645 -11.367 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.526 -8.319 -11.881 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.091 -5.409 -14.832 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.064 -5.047 -13.402 1.00 0.00 H new ATOM 349 N LYS A 25 -10.152 -6.995 -9.970 1.00 0.00 N ATOM 350 CA LYS A 25 -10.704 -7.393 -8.681 1.00 0.00 C ATOM 351 C LYS A 25 -12.176 -7.773 -8.812 1.00 0.00 C ATOM 352 O LYS A 25 -12.618 -8.781 -8.258 1.00 0.00 O ATOM 353 CB LYS A 25 -10.557 -6.245 -7.681 1.00 0.00 C ATOM 354 CG LYS A 25 -9.095 -5.796 -7.635 1.00 0.00 C ATOM 355 CD LYS A 25 -8.870 -4.910 -6.409 1.00 0.00 C ATOM 356 CE LYS A 25 -8.254 -5.741 -5.284 1.00 0.00 C ATOM 357 NZ LYS A 25 -8.557 -5.101 -3.973 1.00 0.00 N ATOM 0 H LYS A 25 -9.904 -6.008 -10.039 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.153 -8.264 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.196 -5.411 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.882 -6.566 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.438 -6.665 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.843 -5.249 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.212 -4.079 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.816 -4.479 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.652 -6.755 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.176 -5.818 -5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.138 -5.665 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.157 -4.141 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.587 -5.049 -3.842 1.00 0.00 H new ATOM 371 N LEU A 26 -12.934 -6.960 -9.543 1.00 0.00 N ATOM 372 CA LEU A 26 -14.356 -7.220 -9.733 1.00 0.00 C ATOM 373 C LEU A 26 -14.573 -8.366 -10.716 1.00 0.00 C ATOM 374 O LEU A 26 -15.460 -9.198 -10.528 1.00 0.00 O ATOM 375 CB LEU A 26 -15.044 -5.962 -10.263 1.00 0.00 C ATOM 376 CG LEU A 26 -16.375 -5.761 -9.541 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.205 -7.045 -9.626 1.00 0.00 C ATOM 378 CD2 LEU A 26 -16.113 -5.421 -8.073 1.00 0.00 C ATOM 0 H LEU A 26 -12.589 -6.121 -10.010 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.784 -7.500 -8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.402 -5.094 -10.112 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.211 -6.052 -11.336 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.922 -4.944 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.154 -6.899 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.394 -7.288 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -16.659 -7.863 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.063 -5.278 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.565 -6.237 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.525 -4.506 -8.011 1.00 0.00 H new ATOM 390 N GLY A 27 -13.764 -8.396 -11.769 1.00 0.00 N ATOM 391 CA GLY A 27 -13.886 -9.437 -12.783 1.00 0.00 C ATOM 392 C GLY A 27 -12.948 -10.605 -12.497 1.00 0.00 C ATOM 393 O GLY A 27 -13.381 -11.754 -12.415 1.00 0.00 O ATOM 0 H GLY A 27 -13.022 -7.718 -11.942 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.915 -9.795 -12.817 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.661 -9.019 -13.764 1.00 0.00 H new ATOM 397 N GLY A 28 -11.658 -10.310 -12.358 1.00 0.00 N ATOM 398 CA GLY A 28 -10.676 -11.355 -12.095 1.00 0.00 C ATOM 399 C GLY A 28 -10.565 -12.294 -13.290 1.00 0.00 C ATOM 400 O GLY A 28 -10.056 -13.409 -13.176 1.00 0.00 O ATOM 0 H GLY A 28 -11.273 -9.368 -12.422 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.705 -10.906 -11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.964 -11.918 -11.207 1.00 0.00 H new ATOM 404 N VAL A 29 -11.053 -11.830 -14.435 1.00 0.00 N ATOM 405 CA VAL A 29 -11.016 -12.625 -15.655 1.00 0.00 C ATOM 406 C VAL A 29 -10.257 -11.890 -16.751 1.00 0.00 C ATOM 407 O VAL A 29 -9.679 -10.827 -16.520 1.00 0.00 O ATOM 408 CB VAL A 29 -12.440 -12.919 -16.124 1.00 0.00 C ATOM 409 CG1 VAL A 29 -12.561 -14.397 -16.506 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.420 -12.606 -14.991 1.00 0.00 C ATOM 0 H VAL A 29 -11.478 -10.909 -14.543 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.502 -13.562 -15.443 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.671 -12.301 -16.992 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.578 -14.604 -16.840 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.861 -14.623 -17.311 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.330 -15.017 -15.640 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.437 -12.815 -15.322 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.186 -13.226 -14.126 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.336 -11.554 -14.717 1.00 0.00 H new ATOM 420 N LYS A 30 -10.261 -12.469 -17.942 1.00 0.00 N ATOM 421 CA LYS A 30 -9.568 -11.874 -19.078 1.00 0.00 C ATOM 422 C LYS A 30 -10.115 -10.483 -19.374 1.00 0.00 C ATOM 423 O LYS A 30 -11.328 -10.271 -19.399 1.00 0.00 O ATOM 424 CB LYS A 30 -9.725 -12.763 -20.312 1.00 0.00 C ATOM 425 CG LYS A 30 -9.830 -14.226 -19.877 1.00 0.00 C ATOM 426 CD LYS A 30 -9.507 -15.142 -21.061 1.00 0.00 C ATOM 427 CE LYS A 30 -8.274 -15.987 -20.736 1.00 0.00 C ATOM 428 NZ LYS A 30 -8.137 -17.074 -21.745 1.00 0.00 N ATOM 0 H LYS A 30 -10.735 -13.348 -18.148 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.511 -11.787 -18.828 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.615 -12.474 -20.871 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.873 -12.631 -20.979 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.141 -14.421 -19.055 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.834 -14.434 -19.507 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.357 -15.789 -21.275 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.326 -14.546 -21.956 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.381 -15.362 -20.736 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.365 -16.413 -19.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.299 -17.649 -21.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.985 -17.676 -21.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.032 -16.657 -22.692 1.00 0.00 H new ATOM 442 N TYR A 31 -9.209 -9.539 -19.598 1.00 0.00 N ATOM 443 CA TYR A 31 -9.602 -8.164 -19.892 1.00 0.00 C ATOM 444 C TYR A 31 -8.660 -7.538 -20.917 1.00 0.00 C ATOM 445 O TYR A 31 -7.509 -7.952 -21.052 1.00 0.00 O ATOM 446 CB TYR A 31 -9.589 -7.330 -18.610 1.00 0.00 C ATOM 447 CG TYR A 31 -8.162 -7.006 -18.236 1.00 0.00 C ATOM 448 CD1 TYR A 31 -7.400 -7.932 -17.514 1.00 0.00 C ATOM 449 CD2 TYR A 31 -7.603 -5.778 -18.610 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.078 -7.631 -17.167 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.280 -5.478 -18.262 1.00 0.00 C ATOM 452 CZ TYR A 31 -5.518 -6.404 -17.540 1.00 0.00 C ATOM 453 OH TYR A 31 -4.214 -6.107 -17.198 1.00 0.00 O ATOM 0 H TYR A 31 -8.202 -9.698 -19.582 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.610 -8.179 -20.307 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.156 -6.411 -18.756 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.073 -7.878 -17.802 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.832 -8.879 -17.225 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.191 -5.063 -19.166 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.490 -8.346 -16.611 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.847 -4.532 -18.551 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.982 -5.216 -17.535 1.00 0.00 H new ATOM 463 N ASP A 32 -9.160 -6.534 -21.635 1.00 0.00 N ATOM 464 CA ASP A 32 -8.360 -5.850 -22.645 1.00 0.00 C ATOM 465 C ASP A 32 -8.642 -4.350 -22.623 1.00 0.00 C ATOM 466 O ASP A 32 -9.797 -3.927 -22.622 1.00 0.00 O ATOM 467 CB ASP A 32 -8.679 -6.411 -24.032 1.00 0.00 C ATOM 468 CG ASP A 32 -7.425 -6.412 -24.898 1.00 0.00 C ATOM 469 OD1 ASP A 32 -6.515 -7.164 -24.587 1.00 0.00 O ATOM 470 OD2 ASP A 32 -7.392 -5.662 -25.859 1.00 0.00 O ATOM 0 H ASP A 32 -10.111 -6.179 -21.536 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.306 -6.015 -22.421 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.069 -7.425 -23.942 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.457 -5.811 -24.505 1.00 0.00 H new ATOM 475 N ILE A 33 -7.578 -3.551 -22.601 1.00 0.00 N ATOM 476 CA ILE A 33 -7.724 -2.099 -22.572 1.00 0.00 C ATOM 477 C ILE A 33 -7.094 -1.464 -23.810 1.00 0.00 C ATOM 478 O ILE A 33 -5.876 -1.504 -23.986 1.00 0.00 O ATOM 479 CB ILE A 33 -7.053 -1.537 -21.317 1.00 0.00 C ATOM 480 CG1 ILE A 33 -7.803 -2.022 -20.074 1.00 0.00 C ATOM 481 CG2 ILE A 33 -7.077 -0.007 -21.364 1.00 0.00 C ATOM 482 CD1 ILE A 33 -6.987 -1.686 -18.825 1.00 0.00 C ATOM 0 H ILE A 33 -6.613 -3.881 -22.603 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.788 -1.862 -22.561 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.020 -1.882 -21.275 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.783 -1.549 -20.020 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.971 -3.097 -20.134 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.599 0.392 -20.469 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.540 0.338 -22.247 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.109 0.339 -21.409 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.520 -2.031 -17.939 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.017 -2.180 -18.880 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.842 -0.607 -18.764 1.00 0.00 H new ATOM 494 N ASP A 34 -7.929 -0.870 -24.661 1.00 0.00 N ATOM 495 CA ASP A 34 -7.432 -0.225 -25.873 1.00 0.00 C ATOM 496 C ASP A 34 -7.690 1.280 -25.822 1.00 0.00 C ATOM 497 O ASP A 34 -8.799 1.740 -26.095 1.00 0.00 O ATOM 498 CB ASP A 34 -8.118 -0.824 -27.102 1.00 0.00 C ATOM 499 CG ASP A 34 -8.273 -2.331 -26.930 1.00 0.00 C ATOM 500 OD1 ASP A 34 -8.458 -2.763 -25.805 1.00 0.00 O ATOM 501 OD2 ASP A 34 -8.205 -3.031 -27.927 1.00 0.00 O ATOM 0 H ASP A 34 -8.940 -0.822 -24.536 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.357 -0.395 -25.940 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.096 -0.363 -27.244 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.532 -0.610 -27.996 1.00 0.00 H new ATOM 506 N LEU A 35 -6.656 2.036 -25.468 1.00 0.00 N ATOM 507 CA LEU A 35 -6.769 3.489 -25.378 1.00 0.00 C ATOM 508 C LEU A 35 -7.123 4.106 -26.731 1.00 0.00 C ATOM 509 O LEU A 35 -8.000 4.965 -26.825 1.00 0.00 O ATOM 510 CB LEU A 35 -5.445 4.079 -24.880 1.00 0.00 C ATOM 511 CG LEU A 35 -5.704 4.987 -23.677 1.00 0.00 C ATOM 512 CD1 LEU A 35 -4.373 5.324 -22.999 1.00 0.00 C ATOM 513 CD2 LEU A 35 -6.376 6.280 -24.146 1.00 0.00 C ATOM 0 H LEU A 35 -5.732 1.669 -25.239 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.570 3.722 -24.676 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.761 3.278 -24.602 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.965 4.645 -25.678 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.356 4.475 -22.970 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.555 5.971 -22.141 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.892 4.405 -22.664 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.723 5.836 -23.708 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.560 6.926 -23.288 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.724 6.793 -24.853 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.323 6.043 -24.631 1.00 0.00 H new ATOM 525 N PRO A 36 -6.440 3.695 -27.765 1.00 0.00 N ATOM 526 CA PRO A 36 -6.653 4.223 -29.148 1.00 0.00 C ATOM 527 C PRO A 36 -8.095 4.078 -29.632 1.00 0.00 C ATOM 528 O PRO A 36 -8.556 4.858 -30.467 1.00 0.00 O ATOM 529 CB PRO A 36 -5.708 3.386 -30.017 1.00 0.00 C ATOM 530 CG PRO A 36 -4.699 2.806 -29.083 1.00 0.00 C ATOM 531 CD PRO A 36 -5.384 2.675 -27.725 1.00 0.00 C ATOM 0 HA PRO A 36 -6.454 5.294 -29.192 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.252 2.600 -30.541 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.228 4.002 -30.777 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.356 1.835 -29.439 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.821 3.449 -29.014 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.797 1.677 -27.580 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.687 2.853 -26.906 1.00 0.00 H new ATOM 539 N ASN A 37 -8.797 3.076 -29.121 1.00 0.00 N ATOM 540 CA ASN A 37 -10.179 2.844 -29.533 1.00 0.00 C ATOM 541 C ASN A 37 -11.160 3.317 -28.466 1.00 0.00 C ATOM 542 O ASN A 37 -12.372 3.315 -28.685 1.00 0.00 O ATOM 543 CB ASN A 37 -10.398 1.354 -29.796 1.00 0.00 C ATOM 544 CG ASN A 37 -10.129 1.039 -31.262 1.00 0.00 C ATOM 545 OD1 ASN A 37 -9.474 0.045 -31.574 1.00 0.00 O ATOM 546 ND2 ASN A 37 -10.599 1.832 -32.187 1.00 0.00 N ATOM 0 H ASN A 37 -8.440 2.417 -28.429 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.359 3.413 -30.445 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.737 0.763 -29.161 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.420 1.077 -29.537 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.424 1.628 -33.171 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.142 2.655 -31.926 1.00 0.00 H new ATOM 553 N LYS A 38 -10.640 3.712 -27.312 1.00 0.00 N ATOM 554 CA LYS A 38 -11.496 4.171 -26.226 1.00 0.00 C ATOM 555 C LYS A 38 -12.574 3.133 -25.939 1.00 0.00 C ATOM 556 O LYS A 38 -13.724 3.474 -25.662 1.00 0.00 O ATOM 557 CB LYS A 38 -12.153 5.500 -26.600 1.00 0.00 C ATOM 558 CG LYS A 38 -11.144 6.381 -27.336 1.00 0.00 C ATOM 559 CD LYS A 38 -11.760 7.757 -27.585 1.00 0.00 C ATOM 560 CE LYS A 38 -10.929 8.510 -28.625 1.00 0.00 C ATOM 561 NZ LYS A 38 -9.488 8.439 -28.252 1.00 0.00 N ATOM 0 H LYS A 38 -9.641 3.724 -27.104 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.885 4.312 -25.335 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.024 5.322 -27.231 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.508 6.007 -25.703 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.232 6.480 -26.747 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.863 5.919 -28.283 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.787 7.649 -27.934 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.797 8.324 -26.655 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.082 8.076 -29.613 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.251 9.550 -28.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.973 9.221 -28.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.393 8.514 -27.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.091 7.532 -28.571 1.00 0.00 H new ATOM 575 N LYS A 39 -12.190 1.863 -26.011 1.00 0.00 N ATOM 576 CA LYS A 39 -13.125 0.774 -25.762 1.00 0.00 C ATOM 577 C LYS A 39 -12.485 -0.281 -24.868 1.00 0.00 C ATOM 578 O LYS A 39 -11.262 -0.419 -24.834 1.00 0.00 O ATOM 579 CB LYS A 39 -13.555 0.140 -27.092 1.00 0.00 C ATOM 580 CG LYS A 39 -12.663 -1.062 -27.411 1.00 0.00 C ATOM 581 CD LYS A 39 -12.937 -1.543 -28.838 1.00 0.00 C ATOM 582 CE LYS A 39 -14.166 -2.453 -28.845 1.00 0.00 C ATOM 583 NZ LYS A 39 -15.396 -1.624 -28.693 1.00 0.00 N ATOM 0 H LYS A 39 -11.242 1.564 -26.239 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.003 1.176 -25.256 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.597 -0.175 -27.034 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.488 0.876 -27.893 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.614 -0.787 -27.305 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.855 -1.868 -26.702 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.100 -0.689 -29.495 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.071 -2.081 -29.224 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.208 -3.019 -29.776 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.100 -3.178 -28.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.148 -2.004 -29.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.709 -1.646 -27.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.190 -0.643 -28.970 1.00 0.00 H new ATOM 597 N VAL A 40 -13.315 -1.022 -24.147 1.00 0.00 N ATOM 598 CA VAL A 40 -12.810 -2.061 -23.260 1.00 0.00 C ATOM 599 C VAL A 40 -13.531 -3.379 -23.512 1.00 0.00 C ATOM 600 O VAL A 40 -14.751 -3.467 -23.372 1.00 0.00 O ATOM 601 CB VAL A 40 -13.010 -1.645 -21.800 1.00 0.00 C ATOM 602 CG1 VAL A 40 -11.674 -1.196 -21.208 1.00 0.00 C ATOM 603 CG2 VAL A 40 -14.010 -0.489 -21.730 1.00 0.00 C ATOM 0 H VAL A 40 -14.330 -0.925 -24.158 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.747 -2.195 -23.460 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.393 -2.493 -21.232 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.818 -0.900 -20.169 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.960 -2.018 -21.256 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.290 -0.349 -21.777 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.152 -0.193 -20.691 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.627 0.358 -22.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -14.964 -0.807 -22.150 1.00 0.00 H new ATOM 613 N CYS A 41 -12.768 -4.403 -23.874 1.00 0.00 N ATOM 614 CA CYS A 41 -13.348 -5.715 -24.127 1.00 0.00 C ATOM 615 C CYS A 41 -12.932 -6.680 -23.027 1.00 0.00 C ATOM 616 O CYS A 41 -11.755 -7.012 -22.891 1.00 0.00 O ATOM 617 CB CYS A 41 -12.879 -6.244 -25.484 1.00 0.00 C ATOM 618 SG CYS A 41 -13.025 -8.048 -25.512 1.00 0.00 S ATOM 0 H CYS A 41 -11.757 -4.352 -23.998 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.434 -5.627 -24.138 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.478 -5.808 -26.283 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -11.845 -5.949 -25.664 1.00 0.00 H new ATOM 0 HG CYS A 41 -12.629 -8.498 -26.666 1.00 0.00 H new ATOM 624 N ILE A 42 -13.902 -7.114 -22.232 1.00 0.00 N ATOM 625 CA ILE A 42 -13.617 -8.025 -21.133 1.00 0.00 C ATOM 626 C ILE A 42 -14.516 -9.256 -21.182 1.00 0.00 C ATOM 627 O ILE A 42 -15.719 -9.152 -21.419 1.00 0.00 O ATOM 628 CB ILE A 42 -13.811 -7.298 -19.802 1.00 0.00 C ATOM 629 CG1 ILE A 42 -14.192 -8.304 -18.710 1.00 0.00 C ATOM 630 CG2 ILE A 42 -14.923 -6.260 -19.944 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.039 -7.649 -17.336 1.00 0.00 C ATOM 0 H ILE A 42 -14.883 -6.853 -22.327 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.584 -8.358 -21.228 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.880 -6.802 -19.527 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.219 -8.639 -18.852 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.556 -9.187 -18.776 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.061 -5.742 -18.995 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.651 -5.539 -20.715 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.852 -6.758 -20.224 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.310 -8.364 -16.560 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.005 -7.336 -17.196 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -14.693 -6.780 -17.272 1.00 0.00 H new ATOM 643 N GLU A 43 -13.922 -10.416 -20.930 1.00 0.00 N ATOM 644 CA GLU A 43 -14.678 -11.661 -20.920 1.00 0.00 C ATOM 645 C GLU A 43 -14.813 -12.147 -19.484 1.00 0.00 C ATOM 646 O GLU A 43 -13.818 -12.459 -18.833 1.00 0.00 O ATOM 647 CB GLU A 43 -13.953 -12.720 -21.753 1.00 0.00 C ATOM 648 CG GLU A 43 -14.606 -14.085 -21.526 1.00 0.00 C ATOM 649 CD GLU A 43 -14.301 -15.011 -22.698 1.00 0.00 C ATOM 650 OE1 GLU A 43 -13.147 -15.373 -22.856 1.00 0.00 O ATOM 651 OE2 GLU A 43 -15.226 -15.348 -23.419 1.00 0.00 O ATOM 0 H GLU A 43 -12.927 -10.520 -20.731 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.666 -11.490 -21.348 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.994 -12.457 -22.810 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.900 -12.758 -21.475 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.237 -14.524 -20.599 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.684 -13.968 -21.416 1.00 0.00 H new ATOM 658 N SER A 44 -16.044 -12.193 -18.986 1.00 0.00 N ATOM 659 CA SER A 44 -16.275 -12.623 -17.613 1.00 0.00 C ATOM 660 C SER A 44 -17.458 -13.577 -17.523 1.00 0.00 C ATOM 661 O SER A 44 -18.254 -13.697 -18.454 1.00 0.00 O ATOM 662 CB SER A 44 -16.537 -11.408 -16.723 1.00 0.00 C ATOM 663 OG SER A 44 -16.630 -11.830 -15.369 1.00 0.00 O ATOM 0 H SER A 44 -16.886 -11.942 -19.504 1.00 0.00 H new ATOM 0 HA SER A 44 -15.382 -13.147 -17.273 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.733 -10.680 -16.835 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.460 -10.913 -17.026 1.00 0.00 H new ATOM 0 HG SER A 44 -16.796 -11.053 -14.795 1.00 0.00 H new ATOM 669 N GLU A 45 -17.557 -14.255 -16.386 1.00 0.00 N ATOM 670 CA GLU A 45 -18.634 -15.202 -16.154 1.00 0.00 C ATOM 671 C GLU A 45 -19.925 -14.473 -15.794 1.00 0.00 C ATOM 672 O GLU A 45 -21.014 -15.040 -15.879 1.00 0.00 O ATOM 673 CB GLU A 45 -18.234 -16.136 -15.015 1.00 0.00 C ATOM 674 CG GLU A 45 -16.729 -16.409 -15.092 1.00 0.00 C ATOM 675 CD GLU A 45 -16.433 -17.832 -14.630 1.00 0.00 C ATOM 676 OE1 GLU A 45 -16.570 -18.736 -15.438 1.00 0.00 O ATOM 677 OE2 GLU A 45 -16.074 -17.996 -13.476 1.00 0.00 O ATOM 0 H GLU A 45 -16.901 -14.164 -15.610 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.808 -15.775 -17.065 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.485 -15.686 -14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.789 -17.071 -15.084 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.377 -16.269 -16.114 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.189 -15.696 -14.469 1.00 0.00 H new ATOM 684 N HIS A 46 -19.796 -13.212 -15.392 1.00 0.00 N ATOM 685 CA HIS A 46 -20.959 -12.416 -15.021 1.00 0.00 C ATOM 686 C HIS A 46 -21.445 -11.594 -16.209 1.00 0.00 C ATOM 687 O HIS A 46 -22.544 -11.809 -16.720 1.00 0.00 O ATOM 688 CB HIS A 46 -20.603 -11.482 -13.862 1.00 0.00 C ATOM 689 CG HIS A 46 -21.864 -11.029 -13.178 1.00 0.00 C ATOM 690 ND1 HIS A 46 -22.158 -11.369 -11.866 1.00 0.00 N ATOM 691 CD2 HIS A 46 -22.916 -10.261 -13.611 1.00 0.00 C ATOM 692 CE1 HIS A 46 -23.344 -10.811 -11.560 1.00 0.00 C ATOM 693 NE2 HIS A 46 -23.850 -10.125 -12.588 1.00 0.00 N ATOM 0 H HIS A 46 -18.904 -12.723 -15.315 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.756 -13.092 -14.711 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.956 -11.997 -13.152 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -20.048 -10.620 -14.233 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -23.005 -9.828 -14.596 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -23.828 -10.906 -10.599 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.731 -9.612 -12.617 1.00 0.00 H new ATOM 701 N SER A 47 -20.616 -10.655 -16.643 1.00 0.00 N ATOM 702 CA SER A 47 -20.962 -9.803 -17.774 1.00 0.00 C ATOM 703 C SER A 47 -22.113 -8.868 -17.415 1.00 0.00 C ATOM 704 O SER A 47 -23.133 -8.837 -18.104 1.00 0.00 O ATOM 705 CB SER A 47 -21.361 -10.663 -18.973 1.00 0.00 C ATOM 706 OG SER A 47 -20.583 -11.854 -18.975 1.00 0.00 O ATOM 0 H SER A 47 -19.702 -10.464 -16.232 1.00 0.00 H new ATOM 0 HA SER A 47 -20.088 -9.203 -18.029 1.00 0.00 H new ATOM 0 HB2 SER A 47 -22.422 -10.908 -18.923 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.205 -10.111 -19.900 1.00 0.00 H new ATOM 0 HG SER A 47 -20.837 -12.409 -19.742 1.00 0.00 H new ATOM 712 N MET A 48 -21.940 -8.107 -16.338 1.00 0.00 N ATOM 713 CA MET A 48 -22.970 -7.169 -15.898 1.00 0.00 C ATOM 714 C MET A 48 -22.853 -6.912 -14.400 1.00 0.00 C ATOM 715 O MET A 48 -23.840 -6.971 -13.667 1.00 0.00 O ATOM 716 CB MET A 48 -24.365 -7.723 -16.214 1.00 0.00 C ATOM 717 CG MET A 48 -24.851 -7.187 -17.565 1.00 0.00 C ATOM 718 SD MET A 48 -26.054 -5.864 -17.294 1.00 0.00 S ATOM 719 CE MET A 48 -27.525 -6.914 -17.180 1.00 0.00 C ATOM 0 H MET A 48 -21.102 -8.120 -15.757 1.00 0.00 H new ATOM 0 HA MET A 48 -22.826 -6.230 -16.433 1.00 0.00 H new ATOM 0 HB2 MET A 48 -24.336 -8.812 -16.235 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.065 -7.438 -15.428 1.00 0.00 H new ATOM 0 HG2 MET A 48 -24.007 -6.812 -18.144 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.304 -7.991 -18.145 1.00 0.00 H new ATOM 0 HE1 MET A 48 -28.404 -6.292 -17.010 1.00 0.00 H new ATOM 0 HE2 MET A 48 -27.648 -7.470 -18.109 1.00 0.00 H new ATOM 0 HE3 MET A 48 -27.410 -7.613 -16.352 1.00 0.00 H new ATOM 729 N ASP A 49 -21.639 -6.616 -13.956 1.00 0.00 N ATOM 730 CA ASP A 49 -21.396 -6.339 -12.546 1.00 0.00 C ATOM 731 C ASP A 49 -19.971 -5.841 -12.346 1.00 0.00 C ATOM 732 O ASP A 49 -19.724 -4.932 -11.554 1.00 0.00 O ATOM 733 CB ASP A 49 -21.627 -7.599 -11.711 1.00 0.00 C ATOM 734 CG ASP A 49 -22.516 -7.274 -10.515 1.00 0.00 C ATOM 735 OD1 ASP A 49 -22.037 -6.613 -9.608 1.00 0.00 O ATOM 736 OD2 ASP A 49 -23.663 -7.691 -10.525 1.00 0.00 O ATOM 0 H ASP A 49 -20.810 -6.562 -14.548 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.092 -5.566 -12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -22.094 -8.371 -12.323 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -20.673 -7.998 -11.368 1.00 0.00 H new ATOM 741 N THR A 50 -19.035 -6.442 -13.072 1.00 0.00 N ATOM 742 CA THR A 50 -17.637 -6.050 -12.969 1.00 0.00 C ATOM 743 C THR A 50 -17.368 -4.775 -13.766 1.00 0.00 C ATOM 744 O THR A 50 -16.637 -3.893 -13.314 1.00 0.00 O ATOM 745 CB THR A 50 -16.737 -7.177 -13.482 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.477 -6.640 -13.862 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.394 -7.853 -14.688 1.00 0.00 C ATOM 0 H THR A 50 -19.218 -7.197 -13.733 1.00 0.00 H new ATOM 0 HA THR A 50 -17.415 -5.857 -11.920 1.00 0.00 H new ATOM 0 HB THR A 50 -16.594 -7.914 -12.692 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.959 -7.325 -14.334 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.751 -8.655 -15.051 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.358 -8.267 -14.393 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.542 -7.119 -15.481 1.00 0.00 H new ATOM 755 N LEU A 51 -17.949 -4.688 -14.960 1.00 0.00 N ATOM 756 CA LEU A 51 -17.749 -3.525 -15.815 1.00 0.00 C ATOM 757 C LEU A 51 -18.337 -2.256 -15.202 1.00 0.00 C ATOM 758 O LEU A 51 -17.641 -1.256 -15.046 1.00 0.00 O ATOM 759 CB LEU A 51 -18.407 -3.772 -17.172 1.00 0.00 C ATOM 760 CG LEU A 51 -17.501 -4.664 -18.028 1.00 0.00 C ATOM 761 CD1 LEU A 51 -18.323 -5.816 -18.610 1.00 0.00 C ATOM 762 CD2 LEU A 51 -16.887 -3.849 -19.174 1.00 0.00 C ATOM 0 H LEU A 51 -18.558 -5.405 -15.354 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.675 -3.380 -15.928 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.378 -4.248 -17.035 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -18.585 -2.824 -17.679 1.00 0.00 H new ATOM 0 HG LEU A 51 -16.701 -5.060 -17.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -17.679 -6.451 -19.219 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -18.750 -6.405 -17.798 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -19.126 -5.414 -19.228 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -16.245 -4.493 -19.775 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -17.683 -3.444 -19.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.296 -3.031 -18.763 1.00 0.00 H new ATOM 774 N LEU A 52 -19.626 -2.295 -14.879 1.00 0.00 N ATOM 775 CA LEU A 52 -20.301 -1.129 -14.316 1.00 0.00 C ATOM 776 C LEU A 52 -19.624 -0.638 -13.040 1.00 0.00 C ATOM 777 O LEU A 52 -19.310 0.545 -12.915 1.00 0.00 O ATOM 778 CB LEU A 52 -21.766 -1.457 -14.019 1.00 0.00 C ATOM 779 CG LEU A 52 -21.909 -2.934 -13.640 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.139 -3.106 -12.747 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.078 -3.785 -14.904 1.00 0.00 C ATOM 0 H LEU A 52 -20.221 -3.115 -14.996 1.00 0.00 H new ATOM 0 HA LEU A 52 -20.242 -0.333 -15.059 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.130 -0.828 -13.206 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.380 -1.237 -14.892 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.014 -3.258 -13.108 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.246 -4.156 -12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.020 -2.506 -11.845 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.028 -2.779 -13.286 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.179 -4.834 -14.626 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -22.970 -3.465 -15.442 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.205 -3.662 -15.545 1.00 0.00 H new ATOM 793 N ALA A 53 -19.416 -1.538 -12.087 1.00 0.00 N ATOM 794 CA ALA A 53 -18.792 -1.154 -10.827 1.00 0.00 C ATOM 795 C ALA A 53 -17.431 -0.508 -11.065 1.00 0.00 C ATOM 796 O ALA A 53 -17.125 0.541 -10.500 1.00 0.00 O ATOM 797 CB ALA A 53 -18.623 -2.383 -9.932 1.00 0.00 C ATOM 0 H ALA A 53 -19.666 -2.524 -12.160 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.440 -0.428 -10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.156 -2.087 -8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.600 -2.823 -9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -17.993 -3.116 -10.436 1.00 0.00 H new ATOM 803 N THR A 54 -16.617 -1.142 -11.899 1.00 0.00 N ATOM 804 CA THR A 54 -15.288 -0.618 -12.192 1.00 0.00 C ATOM 805 C THR A 54 -15.360 0.665 -13.020 1.00 0.00 C ATOM 806 O THR A 54 -14.729 1.663 -12.683 1.00 0.00 O ATOM 807 CB THR A 54 -14.473 -1.668 -12.948 1.00 0.00 C ATOM 808 OG1 THR A 54 -14.388 -2.850 -12.166 1.00 0.00 O ATOM 809 CG2 THR A 54 -13.067 -1.129 -13.217 1.00 0.00 C ATOM 0 H THR A 54 -16.849 -2.011 -12.380 1.00 0.00 H new ATOM 0 HA THR A 54 -14.805 -0.383 -11.244 1.00 0.00 H new ATOM 0 HB THR A 54 -14.960 -1.893 -13.897 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.158 -3.425 -12.357 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.487 -1.878 -13.756 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.134 -0.221 -13.817 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.577 -0.903 -12.270 1.00 0.00 H new ATOM 817 N LEU A 55 -16.110 0.623 -14.116 1.00 0.00 N ATOM 818 CA LEU A 55 -16.230 1.781 -14.999 1.00 0.00 C ATOM 819 C LEU A 55 -16.915 2.964 -14.310 1.00 0.00 C ATOM 820 O LEU A 55 -16.490 4.108 -14.466 1.00 0.00 O ATOM 821 CB LEU A 55 -17.020 1.399 -16.254 1.00 0.00 C ATOM 822 CG LEU A 55 -16.087 0.763 -17.292 1.00 0.00 C ATOM 823 CD1 LEU A 55 -15.124 -0.214 -16.608 1.00 0.00 C ATOM 824 CD2 LEU A 55 -16.922 0.002 -18.323 1.00 0.00 C ATOM 0 H LEU A 55 -16.642 -0.195 -14.414 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.220 2.090 -15.268 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.816 0.701 -15.994 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.497 2.284 -16.676 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.513 1.549 -17.782 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.467 -0.659 -17.355 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.526 0.321 -15.871 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.694 -0.999 -16.112 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.262 -0.451 -19.063 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.496 -0.778 -17.822 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.604 0.692 -18.820 1.00 0.00 H new ATOM 836 N LYS A 56 -17.988 2.691 -13.573 1.00 0.00 N ATOM 837 CA LYS A 56 -18.728 3.757 -12.899 1.00 0.00 C ATOM 838 C LYS A 56 -17.942 4.343 -11.727 1.00 0.00 C ATOM 839 O LYS A 56 -18.281 5.413 -11.222 1.00 0.00 O ATOM 840 CB LYS A 56 -20.074 3.223 -12.398 1.00 0.00 C ATOM 841 CG LYS A 56 -19.913 2.667 -10.982 1.00 0.00 C ATOM 842 CD LYS A 56 -21.091 1.745 -10.661 1.00 0.00 C ATOM 843 CE LYS A 56 -21.096 1.426 -9.165 1.00 0.00 C ATOM 844 NZ LYS A 56 -22.221 2.147 -8.507 1.00 0.00 N ATOM 0 H LYS A 56 -18.362 1.753 -13.427 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.891 4.553 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -20.817 4.020 -12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.438 2.443 -13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.975 2.119 -10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -19.869 3.484 -10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -22.029 2.223 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.014 0.825 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -21.199 0.352 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -20.148 1.722 -8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -22.225 1.930 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -22.103 3.171 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -23.122 1.843 -8.929 1.00 0.00 H new ATOM 858 N LYS A 57 -16.899 3.643 -11.290 1.00 0.00 N ATOM 859 CA LYS A 57 -16.096 4.124 -10.168 1.00 0.00 C ATOM 860 C LYS A 57 -15.633 5.559 -10.408 1.00 0.00 C ATOM 861 O LYS A 57 -15.635 6.379 -9.491 1.00 0.00 O ATOM 862 CB LYS A 57 -14.880 3.218 -9.955 1.00 0.00 C ATOM 863 CG LYS A 57 -14.834 2.760 -8.494 1.00 0.00 C ATOM 864 CD LYS A 57 -13.767 1.676 -8.329 1.00 0.00 C ATOM 865 CE LYS A 57 -13.917 1.013 -6.959 1.00 0.00 C ATOM 866 NZ LYS A 57 -12.810 0.037 -6.755 1.00 0.00 N ATOM 0 H LYS A 57 -16.593 2.755 -11.687 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.719 4.102 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.937 2.354 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.965 3.754 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.611 3.606 -7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.808 2.375 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.867 0.930 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.773 2.112 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.899 1.769 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.880 0.506 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.509 0.056 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.140 -0.919 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.006 0.291 -7.364 1.00 0.00 H new ATOM 880 N THR A 58 -15.239 5.860 -11.643 1.00 0.00 N ATOM 881 CA THR A 58 -14.783 7.205 -11.976 1.00 0.00 C ATOM 882 C THR A 58 -15.968 8.094 -12.337 1.00 0.00 C ATOM 883 O THR A 58 -15.943 9.302 -12.101 1.00 0.00 O ATOM 884 CB THR A 58 -13.803 7.167 -13.153 1.00 0.00 C ATOM 885 OG1 THR A 58 -14.126 8.212 -14.056 1.00 0.00 O ATOM 886 CG2 THR A 58 -13.899 5.825 -13.879 1.00 0.00 C ATOM 0 H THR A 58 -15.226 5.200 -12.420 1.00 0.00 H new ATOM 0 HA THR A 58 -14.276 7.614 -11.102 1.00 0.00 H new ATOM 0 HB THR A 58 -12.787 7.294 -12.778 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.771 9.060 -13.716 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.197 5.812 -14.713 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.656 5.019 -13.187 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.913 5.687 -14.255 1.00 0.00 H new ATOM 894 N GLY A 59 -17.003 7.490 -12.913 1.00 0.00 N ATOM 895 CA GLY A 59 -18.190 8.242 -13.304 1.00 0.00 C ATOM 896 C GLY A 59 -18.317 8.299 -14.822 1.00 0.00 C ATOM 897 O GLY A 59 -19.063 9.116 -15.363 1.00 0.00 O ATOM 0 H GLY A 59 -17.044 6.492 -13.118 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.078 7.776 -12.877 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -18.135 9.253 -12.901 1.00 0.00 H new ATOM 901 N ALA A 60 -17.582 7.427 -15.503 1.00 0.00 N ATOM 902 CA ALA A 60 -17.616 7.387 -16.960 1.00 0.00 C ATOM 903 C ALA A 60 -18.898 6.724 -17.452 1.00 0.00 C ATOM 904 O ALA A 60 -19.429 5.818 -16.807 1.00 0.00 O ATOM 905 CB ALA A 60 -16.407 6.612 -17.487 1.00 0.00 C ATOM 0 H ALA A 60 -16.959 6.743 -15.073 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.586 8.411 -17.332 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.438 6.586 -18.576 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.490 7.103 -17.162 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.430 5.594 -17.099 1.00 0.00 H new ATOM 911 N THR A 61 -19.391 7.183 -18.598 1.00 0.00 N ATOM 912 CA THR A 61 -20.612 6.631 -19.173 1.00 0.00 C ATOM 913 C THR A 61 -20.371 5.215 -19.682 1.00 0.00 C ATOM 914 O THR A 61 -19.527 4.992 -20.549 1.00 0.00 O ATOM 915 CB THR A 61 -21.087 7.518 -20.325 1.00 0.00 C ATOM 916 OG1 THR A 61 -19.966 7.930 -21.096 1.00 0.00 O ATOM 917 CG2 THR A 61 -21.804 8.746 -19.764 1.00 0.00 C ATOM 0 H THR A 61 -18.966 7.932 -19.144 1.00 0.00 H new ATOM 0 HA THR A 61 -21.378 6.598 -18.398 1.00 0.00 H new ATOM 0 HB THR A 61 -21.776 6.957 -20.957 1.00 0.00 H new ATOM 0 HG1 THR A 61 -19.359 7.171 -21.223 1.00 0.00 H new ATOM 0 HG21 THR A 61 -22.142 9.377 -20.586 1.00 0.00 H new ATOM 0 HG22 THR A 61 -22.663 8.428 -19.174 1.00 0.00 H new ATOM 0 HG23 THR A 61 -21.119 9.310 -19.131 1.00 0.00 H new ATOM 925 N VAL A 62 -21.113 4.258 -19.134 1.00 0.00 N ATOM 926 CA VAL A 62 -20.969 2.870 -19.530 1.00 0.00 C ATOM 927 C VAL A 62 -22.169 2.414 -20.354 1.00 0.00 C ATOM 928 O VAL A 62 -23.314 2.724 -20.027 1.00 0.00 O ATOM 929 CB VAL A 62 -20.854 2.006 -18.281 1.00 0.00 C ATOM 930 CG1 VAL A 62 -20.013 2.735 -17.235 1.00 0.00 C ATOM 931 CG2 VAL A 62 -22.251 1.737 -17.719 1.00 0.00 C ATOM 0 H VAL A 62 -21.818 4.422 -18.416 1.00 0.00 H new ATOM 0 HA VAL A 62 -20.072 2.770 -20.142 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.377 1.059 -18.534 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.930 2.118 -16.340 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.018 2.927 -17.637 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -20.490 3.681 -16.980 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -22.171 1.119 -16.825 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -22.729 2.683 -17.464 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -22.850 1.217 -18.467 1.00 0.00 H new ATOM 941 N SER A 63 -21.896 1.673 -21.423 1.00 0.00 N ATOM 942 CA SER A 63 -22.959 1.176 -22.289 1.00 0.00 C ATOM 943 C SER A 63 -22.691 -0.273 -22.687 1.00 0.00 C ATOM 944 O SER A 63 -21.693 -0.570 -23.344 1.00 0.00 O ATOM 945 CB SER A 63 -23.059 2.044 -23.543 1.00 0.00 C ATOM 946 OG SER A 63 -23.565 3.325 -23.188 1.00 0.00 O ATOM 0 H SER A 63 -20.954 1.405 -21.709 1.00 0.00 H new ATOM 0 HA SER A 63 -23.901 1.222 -21.742 1.00 0.00 H new ATOM 0 HB2 SER A 63 -22.079 2.144 -24.009 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.714 1.572 -24.275 1.00 0.00 H new ATOM 0 HG SER A 63 -23.629 3.885 -23.990 1.00 0.00 H new ATOM 952 N TYR A 64 -23.586 -1.171 -22.286 1.00 0.00 N ATOM 953 CA TYR A 64 -23.430 -2.584 -22.610 1.00 0.00 C ATOM 954 C TYR A 64 -23.961 -2.873 -24.012 1.00 0.00 C ATOM 955 O TYR A 64 -25.096 -2.524 -24.340 1.00 0.00 O ATOM 956 CB TYR A 64 -24.170 -3.444 -21.575 1.00 0.00 C ATOM 957 CG TYR A 64 -25.545 -3.806 -22.087 1.00 0.00 C ATOM 958 CD1 TYR A 64 -25.703 -4.886 -22.963 1.00 0.00 C ATOM 959 CD2 TYR A 64 -26.660 -3.062 -21.683 1.00 0.00 C ATOM 960 CE1 TYR A 64 -26.977 -5.223 -23.436 1.00 0.00 C ATOM 961 CE2 TYR A 64 -27.934 -3.399 -22.156 1.00 0.00 C ATOM 962 CZ TYR A 64 -28.092 -4.480 -23.032 1.00 0.00 C ATOM 963 OH TYR A 64 -29.348 -4.812 -23.497 1.00 0.00 O ATOM 0 H TYR A 64 -24.419 -0.948 -21.741 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.369 -2.833 -22.585 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.600 -4.350 -21.369 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -24.255 -2.901 -20.634 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -24.842 -5.459 -23.274 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -26.538 -2.229 -21.007 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -27.099 -6.056 -24.112 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -28.795 -2.825 -21.845 1.00 0.00 H new ATOM 0 HH TYR A 64 -30.010 -4.197 -23.119 1.00 0.00 H new ATOM 973 N LEU A 65 -23.134 -3.509 -24.833 1.00 0.00 N ATOM 974 CA LEU A 65 -23.531 -3.836 -26.197 1.00 0.00 C ATOM 975 C LEU A 65 -24.329 -5.134 -26.229 1.00 0.00 C ATOM 976 O LEU A 65 -25.376 -5.215 -26.872 1.00 0.00 O ATOM 977 CB LEU A 65 -22.291 -3.974 -27.083 1.00 0.00 C ATOM 978 CG LEU A 65 -21.797 -2.585 -27.490 1.00 0.00 C ATOM 979 CD1 LEU A 65 -20.295 -2.639 -27.773 1.00 0.00 C ATOM 980 CD2 LEU A 65 -22.536 -2.129 -28.753 1.00 0.00 C ATOM 0 H LEU A 65 -22.192 -3.807 -24.581 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.159 -3.029 -26.574 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.506 -4.508 -26.548 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.528 -4.561 -27.970 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.990 -1.881 -26.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.944 -1.649 -28.063 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.767 -2.963 -26.876 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.102 -3.344 -28.582 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -22.184 -1.139 -29.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.343 -2.834 -29.562 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.607 -2.089 -28.554 1.00 0.00 H new ATOM 992 N GLY A 66 -23.828 -6.149 -25.533 1.00 0.00 N ATOM 993 CA GLY A 66 -24.505 -7.440 -25.490 1.00 0.00 C ATOM 994 C GLY A 66 -23.531 -8.556 -25.133 1.00 0.00 C ATOM 995 O GLY A 66 -22.385 -8.299 -24.763 1.00 0.00 O ATOM 0 H GLY A 66 -22.963 -6.104 -24.995 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.311 -7.408 -24.757 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -24.962 -7.647 -26.458 1.00 0.00 H new