USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 Single : A 1 MET CE :methyl -169:sc= -0.065 (180deg=-0.278) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HE2:sc= 0.143 K(o=0.14,f=-0.62) USER MOD Single : A 7 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=-0.32) USER MOD Single : A 8 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.13) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.782 K(o=0.78,f=-2.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 43:sc= 0.198 USER MOD Single : A 16 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.028) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-4.2!) USER MOD Single : A 23 MET CE :methyl 165:sc= -0.0627 (180deg=-0.383) USER MOD Single : A 25 ASN : amide:sc= -0.0989 K(o=-0.099,f=-2.1!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.36) USER MOD Single : A 33 THR OG1 : rot 57:sc= 0.724 USER MOD Single : A 36 SER OG : rot -12:sc= 0.702 USER MOD Single : A 39 SER OG : rot -76:sc= 0.502 USER MOD Single : A 43 LYS NZ :NH3+ 137:sc= -1.51 (180deg=-3.88!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -67:sc= 0.00069 USER MOD Single : A 52 MET CE :methyl -137:sc= -1.62 (180deg=-2.55!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 71:sc= 1.04 USER MOD Single : A 66 SER OG : rot -86:sc= 0.559 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0522) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 80:sc= -0.801 USER MOD Single : A 87 THR OG1 : rot 75:sc= 0.00245 USER MOD Single : A 93 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.13 K(o=-0.13,f=-1.6) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.116 -31.808 -25.049 1.00 0.00 N ATOM 2 CA MET A 1 26.830 -31.223 -25.490 1.00 0.00 C ATOM 3 C MET A 1 26.313 -30.240 -24.428 1.00 0.00 C ATOM 4 O MET A 1 25.980 -30.655 -23.311 1.00 0.00 O ATOM 5 CB MET A 1 25.795 -32.349 -25.745 1.00 0.00 C ATOM 6 CG MET A 1 24.426 -31.882 -26.275 1.00 0.00 C ATOM 7 SD MET A 1 23.199 -33.211 -26.310 1.00 0.00 S ATOM 8 CE MET A 1 23.989 -34.453 -27.336 1.00 0.00 C ATOM 0 H1 MET A 1 28.461 -32.472 -25.771 1.00 0.00 H new ATOM 0 H2 MET A 1 28.814 -31.049 -24.914 1.00 0.00 H new ATOM 0 H3 MET A 1 27.977 -32.314 -24.151 1.00 0.00 H new ATOM 0 HA MET A 1 26.983 -30.679 -26.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.220 -33.055 -26.459 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.638 -32.893 -24.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.057 -31.069 -25.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.549 -31.480 -27.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.265 -35.227 -27.593 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.362 -33.988 -28.248 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.820 -34.900 -26.791 1.00 0.00 H new ATOM 20 N GLY A 2 26.255 -28.945 -24.777 1.00 0.00 N ATOM 21 CA GLY A 2 25.765 -27.905 -23.873 1.00 0.00 C ATOM 22 C GLY A 2 24.269 -27.664 -24.025 1.00 0.00 C ATOM 23 O GLY A 2 23.511 -28.587 -24.340 1.00 0.00 O ATOM 0 H GLY A 2 26.546 -28.596 -25.690 1.00 0.00 H new ATOM 0 HA2 GLY A 2 25.982 -28.190 -22.844 1.00 0.00 H new ATOM 0 HA3 GLY A 2 26.302 -26.976 -24.066 1.00 0.00 H new ATOM 27 N SER A 3 23.846 -26.416 -23.788 1.00 0.00 N ATOM 28 CA SER A 3 22.439 -26.000 -23.885 1.00 0.00 C ATOM 29 C SER A 3 22.377 -24.527 -24.322 1.00 0.00 C ATOM 30 O SER A 3 22.904 -23.654 -23.622 1.00 0.00 O ATOM 31 CB SER A 3 21.720 -26.201 -22.520 1.00 0.00 C ATOM 32 OG SER A 3 21.729 -27.565 -22.121 1.00 0.00 O ATOM 0 H SER A 3 24.475 -25.659 -23.521 1.00 0.00 H new ATOM 0 HA SER A 3 21.928 -26.614 -24.626 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.209 -25.595 -21.758 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.691 -25.850 -22.595 1.00 0.00 H new ATOM 0 HG SER A 3 21.271 -27.657 -21.259 1.00 0.00 H new ATOM 38 N SER A 4 21.755 -24.262 -25.484 1.00 0.00 N ATOM 39 CA SER A 4 21.588 -22.902 -26.014 1.00 0.00 C ATOM 40 C SER A 4 20.220 -22.774 -26.714 1.00 0.00 C ATOM 41 O SER A 4 20.038 -23.233 -27.852 1.00 0.00 O ATOM 42 CB SER A 4 22.748 -22.548 -26.973 1.00 0.00 C ATOM 43 OG SER A 4 22.649 -21.213 -27.443 1.00 0.00 O ATOM 0 H SER A 4 21.355 -24.986 -26.080 1.00 0.00 H new ATOM 0 HA SER A 4 21.615 -22.191 -25.188 1.00 0.00 H new ATOM 0 HB2 SER A 4 23.700 -22.684 -26.459 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.742 -23.234 -27.820 1.00 0.00 H new ATOM 0 HG SER A 4 23.398 -21.022 -28.045 1.00 0.00 H new ATOM 49 N HIS A 5 19.260 -22.193 -25.981 1.00 0.00 N ATOM 50 CA HIS A 5 17.936 -21.800 -26.497 1.00 0.00 C ATOM 51 C HIS A 5 17.374 -20.717 -25.569 1.00 0.00 C ATOM 52 O HIS A 5 17.684 -20.709 -24.368 1.00 0.00 O ATOM 53 CB HIS A 5 16.945 -23.003 -26.572 1.00 0.00 C ATOM 54 CG HIS A 5 16.452 -23.500 -25.229 1.00 0.00 C ATOM 55 ND1 HIS A 5 15.282 -23.057 -24.645 1.00 0.00 N ATOM 56 CD2 HIS A 5 16.992 -24.377 -24.351 1.00 0.00 C ATOM 57 CE1 HIS A 5 15.132 -23.632 -23.471 1.00 0.00 C ATOM 58 NE2 HIS A 5 16.149 -24.438 -23.272 1.00 0.00 N ATOM 0 H HIS A 5 19.382 -21.977 -24.992 1.00 0.00 H new ATOM 0 HA HIS A 5 18.052 -21.429 -27.515 1.00 0.00 H new ATOM 0 HB2 HIS A 5 16.085 -22.711 -27.174 1.00 0.00 H new ATOM 0 HB3 HIS A 5 17.433 -23.827 -27.092 1.00 0.00 H new ATOM 0 HD1 HIS A 5 14.634 -22.387 -25.060 1.00 0.00 H new ATOM 0 HD2 HIS A 5 17.914 -24.926 -24.477 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.312 -23.469 -22.788 1.00 0.00 H new ATOM 67 N ASP A 6 16.539 -19.822 -26.109 1.00 0.00 N ATOM 68 CA ASP A 6 15.851 -18.803 -25.302 1.00 0.00 C ATOM 69 C ASP A 6 14.648 -19.450 -24.578 1.00 0.00 C ATOM 70 O ASP A 6 13.952 -20.301 -25.148 1.00 0.00 O ATOM 71 CB ASP A 6 15.411 -17.595 -26.175 1.00 0.00 C ATOM 72 CG ASP A 6 14.270 -17.905 -27.160 1.00 0.00 C ATOM 73 OD1 ASP A 6 14.477 -18.711 -28.091 1.00 0.00 O ATOM 74 OD2 ASP A 6 13.167 -17.357 -26.993 1.00 0.00 O ATOM 0 H ASP A 6 16.322 -19.781 -27.105 1.00 0.00 H new ATOM 0 HA ASP A 6 16.542 -18.414 -24.554 1.00 0.00 H new ATOM 0 HB2 ASP A 6 15.098 -16.783 -25.519 1.00 0.00 H new ATOM 0 HB3 ASP A 6 16.273 -17.236 -26.737 1.00 0.00 H new ATOM 79 N HIS A 7 14.442 -19.068 -23.317 1.00 0.00 N ATOM 80 CA HIS A 7 13.356 -19.616 -22.469 1.00 0.00 C ATOM 81 C HIS A 7 12.034 -18.862 -22.692 1.00 0.00 C ATOM 82 O HIS A 7 10.960 -19.379 -22.365 1.00 0.00 O ATOM 83 CB HIS A 7 13.756 -19.559 -20.966 1.00 0.00 C ATOM 84 CG HIS A 7 14.038 -18.168 -20.446 1.00 0.00 C ATOM 85 ND1 HIS A 7 13.049 -17.290 -20.067 1.00 0.00 N ATOM 86 CD2 HIS A 7 15.206 -17.505 -20.267 1.00 0.00 C ATOM 87 CE1 HIS A 7 13.595 -16.158 -19.681 1.00 0.00 C ATOM 88 NE2 HIS A 7 14.902 -16.260 -19.792 1.00 0.00 N ATOM 0 H HIS A 7 15.017 -18.371 -22.845 1.00 0.00 H new ATOM 0 HA HIS A 7 13.205 -20.656 -22.758 1.00 0.00 H new ATOM 0 HB2 HIS A 7 12.955 -20.000 -20.373 1.00 0.00 H new ATOM 0 HB3 HIS A 7 14.641 -20.176 -20.815 1.00 0.00 H new ATOM 0 HD2 HIS A 7 16.196 -17.890 -20.464 1.00 0.00 H new ATOM 0 HE1 HIS A 7 13.059 -15.288 -19.331 1.00 0.00 H new ATOM 0 HE2 HIS A 7 15.577 -15.531 -19.562 1.00 0.00 H new ATOM 97 N HIS A 8 12.121 -17.640 -23.254 1.00 0.00 N ATOM 98 CA HIS A 8 10.964 -16.731 -23.398 1.00 0.00 C ATOM 99 C HIS A 8 10.244 -16.926 -24.756 1.00 0.00 C ATOM 100 O HIS A 8 9.362 -16.137 -25.101 1.00 0.00 O ATOM 101 CB HIS A 8 11.427 -15.253 -23.186 1.00 0.00 C ATOM 102 CG HIS A 8 10.295 -14.262 -23.003 1.00 0.00 C ATOM 103 ND1 HIS A 8 10.024 -13.247 -23.895 1.00 0.00 N ATOM 104 CD2 HIS A 8 9.350 -14.156 -22.032 1.00 0.00 C ATOM 105 CE1 HIS A 8 8.974 -12.566 -23.483 1.00 0.00 C ATOM 106 NE2 HIS A 8 8.550 -13.098 -22.360 1.00 0.00 N ATOM 0 H HIS A 8 12.992 -17.255 -23.620 1.00 0.00 H new ATOM 0 HA HIS A 8 10.231 -16.976 -22.630 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.076 -15.210 -22.311 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.027 -14.947 -24.043 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.250 -14.790 -21.163 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.537 -11.715 -23.984 1.00 0.00 H new ATOM 0 HE2 HIS A 8 7.750 -12.773 -21.818 1.00 0.00 H new ATOM 115 N HIS A 9 10.584 -18.003 -25.501 1.00 0.00 N ATOM 116 CA HIS A 9 9.943 -18.321 -26.796 1.00 0.00 C ATOM 117 C HIS A 9 8.440 -18.617 -26.587 1.00 0.00 C ATOM 118 O HIS A 9 8.063 -19.697 -26.115 1.00 0.00 O ATOM 119 CB HIS A 9 10.656 -19.517 -27.487 1.00 0.00 C ATOM 120 CG HIS A 9 10.232 -19.770 -28.925 1.00 0.00 C ATOM 121 ND1 HIS A 9 10.577 -20.904 -29.630 1.00 0.00 N ATOM 122 CD2 HIS A 9 9.508 -19.012 -29.791 1.00 0.00 C ATOM 123 CE1 HIS A 9 10.081 -20.830 -30.851 1.00 0.00 C ATOM 124 NE2 HIS A 9 9.431 -19.693 -30.971 1.00 0.00 N ATOM 0 H HIS A 9 11.304 -18.670 -25.224 1.00 0.00 H new ATOM 0 HA HIS A 9 10.036 -17.456 -27.452 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.732 -19.341 -27.466 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.469 -20.419 -26.904 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.073 -18.046 -29.583 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.191 -21.578 -31.622 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.948 -19.372 -31.810 1.00 0.00 H new ATOM 133 N HIS A 10 7.602 -17.626 -26.922 1.00 0.00 N ATOM 134 CA HIS A 10 6.144 -17.676 -26.717 1.00 0.00 C ATOM 135 C HIS A 10 5.414 -17.491 -28.056 1.00 0.00 C ATOM 136 O HIS A 10 5.857 -16.716 -28.915 1.00 0.00 O ATOM 137 CB HIS A 10 5.700 -16.587 -25.694 1.00 0.00 C ATOM 138 CG HIS A 10 5.921 -15.153 -26.140 1.00 0.00 C ATOM 139 ND1 HIS A 10 7.147 -14.527 -26.097 1.00 0.00 N ATOM 140 CD2 HIS A 10 5.062 -14.233 -26.651 1.00 0.00 C ATOM 141 CE1 HIS A 10 7.031 -13.299 -26.558 1.00 0.00 C ATOM 142 NE2 HIS A 10 5.780 -13.094 -26.901 1.00 0.00 N ATOM 0 H HIS A 10 7.920 -16.756 -27.348 1.00 0.00 H new ATOM 0 HA HIS A 10 5.881 -18.653 -26.311 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.640 -16.724 -25.478 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.239 -16.747 -24.760 1.00 0.00 H new ATOM 0 HD1 HIS A 10 8.012 -14.950 -25.760 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.006 -14.374 -26.828 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.832 -12.579 -26.640 1.00 0.00 H new ATOM 151 N SER A 11 4.303 -18.210 -28.226 1.00 0.00 N ATOM 152 CA SER A 11 3.411 -18.060 -29.386 1.00 0.00 C ATOM 153 C SER A 11 2.188 -17.202 -28.999 1.00 0.00 C ATOM 154 O SER A 11 1.902 -17.006 -27.806 1.00 0.00 O ATOM 155 CB SER A 11 2.972 -19.454 -29.900 1.00 0.00 C ATOM 156 OG SER A 11 2.196 -19.350 -31.088 1.00 0.00 O ATOM 0 H SER A 11 3.992 -18.918 -27.561 1.00 0.00 H new ATOM 0 HA SER A 11 3.945 -17.553 -30.190 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.853 -20.066 -30.092 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.393 -19.962 -29.129 1.00 0.00 H new ATOM 0 HG SER A 11 1.936 -20.246 -31.388 1.00 0.00 H new ATOM 162 N SER A 12 1.483 -16.685 -30.017 1.00 0.00 N ATOM 163 CA SER A 12 0.238 -15.933 -29.833 1.00 0.00 C ATOM 164 C SER A 12 -0.938 -16.918 -29.667 1.00 0.00 C ATOM 165 O SER A 12 -1.314 -17.611 -30.621 1.00 0.00 O ATOM 166 CB SER A 12 0.026 -14.988 -31.038 1.00 0.00 C ATOM 167 OG SER A 12 0.127 -15.681 -32.278 1.00 0.00 O ATOM 0 H SER A 12 1.764 -16.779 -30.993 1.00 0.00 H new ATOM 0 HA SER A 12 0.295 -15.323 -28.932 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.955 -14.518 -30.963 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.766 -14.188 -31.007 1.00 0.00 H new ATOM 0 HG SER A 12 -0.341 -16.539 -32.212 1.00 0.00 H new ATOM 173 N GLY A 13 -1.473 -17.003 -28.437 1.00 0.00 N ATOM 174 CA GLY A 13 -2.582 -17.903 -28.107 1.00 0.00 C ATOM 175 C GLY A 13 -3.637 -17.190 -27.283 1.00 0.00 C ATOM 176 O GLY A 13 -4.687 -16.816 -27.818 1.00 0.00 O ATOM 0 H GLY A 13 -1.146 -16.448 -27.646 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.030 -18.285 -29.024 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.204 -18.763 -27.554 1.00 0.00 H new ATOM 180 N ARG A 14 -3.320 -16.974 -25.982 1.00 0.00 N ATOM 181 CA ARG A 14 -4.188 -16.286 -24.998 1.00 0.00 C ATOM 182 C ARG A 14 -5.614 -16.893 -24.951 1.00 0.00 C ATOM 183 O ARG A 14 -6.508 -16.459 -25.693 1.00 0.00 O ATOM 184 CB ARG A 14 -4.230 -14.751 -25.262 1.00 0.00 C ATOM 185 CG ARG A 14 -2.874 -14.029 -25.066 1.00 0.00 C ATOM 186 CD ARG A 14 -2.967 -12.509 -25.294 1.00 0.00 C ATOM 187 NE ARG A 14 -1.714 -11.814 -24.944 1.00 0.00 N ATOM 188 CZ ARG A 14 -1.579 -10.475 -24.830 1.00 0.00 C ATOM 189 NH1 ARG A 14 -2.601 -9.664 -25.060 1.00 0.00 N ATOM 190 NH2 ARG A 14 -0.414 -9.955 -24.465 1.00 0.00 N ATOM 0 H ARG A 14 -2.434 -17.281 -25.581 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.746 -16.444 -24.014 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.575 -14.580 -26.282 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.967 -14.301 -24.597 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.510 -14.218 -24.056 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.141 -14.450 -25.754 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.208 -12.314 -26.339 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.784 -12.103 -24.697 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.888 -12.388 -24.775 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.507 -10.049 -25.328 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.482 -8.655 -24.969 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.379 -10.566 -24.271 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.311 -8.944 -24.379 1.00 0.00 H new ATOM 204 N GLU A 15 -5.792 -17.910 -24.089 1.00 0.00 N ATOM 205 CA GLU A 15 -7.068 -18.642 -23.932 1.00 0.00 C ATOM 206 C GLU A 15 -8.165 -17.711 -23.388 1.00 0.00 C ATOM 207 O GLU A 15 -7.870 -16.826 -22.576 1.00 0.00 O ATOM 208 CB GLU A 15 -6.888 -19.875 -22.994 1.00 0.00 C ATOM 209 CG GLU A 15 -5.948 -20.989 -23.530 1.00 0.00 C ATOM 210 CD GLU A 15 -4.446 -20.634 -23.479 1.00 0.00 C ATOM 211 OE1 GLU A 15 -3.810 -20.857 -22.431 1.00 0.00 O ATOM 212 OE2 GLU A 15 -3.896 -20.126 -24.480 1.00 0.00 O ATOM 0 H GLU A 15 -5.051 -18.252 -23.476 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.374 -19.000 -24.915 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.502 -19.528 -22.036 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.869 -20.311 -22.803 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.114 -21.898 -22.951 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.221 -21.213 -24.561 1.00 0.00 H new ATOM 219 N ASN A 16 -9.428 -17.942 -23.833 1.00 0.00 N ATOM 220 CA ASN A 16 -10.586 -17.074 -23.499 1.00 0.00 C ATOM 221 C ASN A 16 -10.810 -17.024 -21.974 1.00 0.00 C ATOM 222 O ASN A 16 -11.219 -16.002 -21.424 1.00 0.00 O ATOM 223 CB ASN A 16 -11.885 -17.525 -24.243 1.00 0.00 C ATOM 224 CG ASN A 16 -12.598 -18.747 -23.629 1.00 0.00 C ATOM 225 OD1 ASN A 16 -12.334 -19.895 -23.985 1.00 0.00 O ATOM 226 ND2 ASN A 16 -13.524 -18.502 -22.711 1.00 0.00 N ATOM 0 H ASN A 16 -9.670 -18.732 -24.431 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.351 -16.067 -23.844 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.583 -16.688 -24.263 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.632 -17.753 -25.278 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.035 -19.274 -22.284 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.725 -17.541 -22.433 1.00 0.00 H new ATOM 233 N LEU A 17 -10.509 -18.152 -21.313 1.00 0.00 N ATOM 234 CA LEU A 17 -10.543 -18.288 -19.853 1.00 0.00 C ATOM 235 C LEU A 17 -9.137 -18.752 -19.437 1.00 0.00 C ATOM 236 O LEU A 17 -8.810 -19.931 -19.577 1.00 0.00 O ATOM 237 CB LEU A 17 -11.669 -19.303 -19.438 1.00 0.00 C ATOM 238 CG LEU A 17 -12.291 -19.153 -18.006 1.00 0.00 C ATOM 239 CD1 LEU A 17 -13.469 -20.138 -17.804 1.00 0.00 C ATOM 240 CD2 LEU A 17 -11.246 -19.315 -16.876 1.00 0.00 C ATOM 0 H LEU A 17 -10.230 -19.010 -21.789 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.785 -17.352 -19.349 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.477 -19.224 -20.165 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.261 -20.310 -19.523 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.670 -18.133 -17.942 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.881 -20.012 -16.803 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.244 -19.935 -18.543 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.112 -21.161 -17.924 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.735 -19.201 -15.909 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.792 -20.304 -16.939 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.473 -18.554 -16.983 1.00 0.00 H new ATOM 252 N TYR A 18 -8.303 -17.806 -18.967 1.00 0.00 N ATOM 253 CA TYR A 18 -6.887 -18.068 -18.611 1.00 0.00 C ATOM 254 C TYR A 18 -6.635 -17.771 -17.113 1.00 0.00 C ATOM 255 O TYR A 18 -5.486 -17.585 -16.698 1.00 0.00 O ATOM 256 CB TYR A 18 -5.943 -17.218 -19.526 1.00 0.00 C ATOM 257 CG TYR A 18 -6.004 -15.686 -19.290 1.00 0.00 C ATOM 258 CD1 TYR A 18 -6.985 -14.887 -19.892 1.00 0.00 C ATOM 259 CD2 TYR A 18 -5.087 -15.045 -18.447 1.00 0.00 C ATOM 260 CE1 TYR A 18 -7.037 -13.522 -19.663 1.00 0.00 C ATOM 261 CE2 TYR A 18 -5.142 -13.690 -18.214 1.00 0.00 C ATOM 262 CZ TYR A 18 -6.115 -12.934 -18.819 1.00 0.00 C ATOM 263 OH TYR A 18 -6.171 -11.575 -18.568 1.00 0.00 O ATOM 0 H TYR A 18 -8.587 -16.837 -18.822 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.669 -19.123 -18.777 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.917 -17.553 -19.374 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.193 -17.420 -20.567 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.713 -15.343 -20.546 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.316 -15.630 -17.967 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.795 -12.920 -20.142 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.422 -13.223 -17.558 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.450 -11.326 -17.952 1.00 0.00 H new ATOM 273 N PHE A 19 -7.720 -17.787 -16.307 1.00 0.00 N ATOM 274 CA PHE A 19 -7.702 -17.346 -14.891 1.00 0.00 C ATOM 275 C PHE A 19 -6.739 -18.202 -14.029 1.00 0.00 C ATOM 276 O PHE A 19 -6.127 -17.696 -13.080 1.00 0.00 O ATOM 277 CB PHE A 19 -9.152 -17.363 -14.318 1.00 0.00 C ATOM 278 CG PHE A 19 -9.344 -16.577 -13.013 1.00 0.00 C ATOM 279 CD1 PHE A 19 -9.252 -15.181 -13.009 1.00 0.00 C ATOM 280 CD2 PHE A 19 -9.599 -17.220 -11.799 1.00 0.00 C ATOM 281 CE1 PHE A 19 -9.439 -14.458 -11.844 1.00 0.00 C ATOM 282 CE2 PHE A 19 -9.785 -16.493 -10.638 1.00 0.00 C ATOM 283 CZ PHE A 19 -9.689 -15.115 -10.657 1.00 0.00 C ATOM 0 H PHE A 19 -8.637 -18.107 -16.620 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.321 -16.325 -14.854 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.829 -16.959 -15.071 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.447 -18.398 -14.148 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.032 -14.660 -13.929 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.651 -18.298 -11.767 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.389 -13.379 -11.864 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.006 -17.004 -9.713 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.810 -14.552 -9.743 1.00 0.00 H new ATOM 293 N GLN A 20 -6.603 -19.492 -14.397 1.00 0.00 N ATOM 294 CA GLN A 20 -5.654 -20.432 -13.763 1.00 0.00 C ATOM 295 C GLN A 20 -4.200 -20.067 -14.148 1.00 0.00 C ATOM 296 O GLN A 20 -3.939 -19.656 -15.279 1.00 0.00 O ATOM 297 CB GLN A 20 -5.972 -21.892 -14.210 1.00 0.00 C ATOM 298 CG GLN A 20 -5.104 -22.984 -13.539 1.00 0.00 C ATOM 299 CD GLN A 20 -5.316 -24.384 -14.129 1.00 0.00 C ATOM 300 OE1 GLN A 20 -6.165 -25.147 -13.670 1.00 0.00 O ATOM 301 NE2 GLN A 20 -4.551 -24.723 -15.160 1.00 0.00 N ATOM 0 H GLN A 20 -7.151 -19.914 -15.147 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.759 -20.360 -12.681 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.021 -22.101 -13.998 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.845 -21.961 -15.290 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.053 -22.713 -13.637 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.328 -23.010 -12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.856 -24.067 -15.517 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.658 -25.639 -15.595 1.00 0.00 H new ATOM 310 N GLY A 21 -3.266 -20.227 -13.198 1.00 0.00 N ATOM 311 CA GLY A 21 -1.847 -19.916 -13.414 1.00 0.00 C ATOM 312 C GLY A 21 -1.371 -18.767 -12.533 1.00 0.00 C ATOM 313 O GLY A 21 -0.197 -18.720 -12.148 1.00 0.00 O ATOM 0 H GLY A 21 -3.473 -20.575 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.247 -20.802 -13.209 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.688 -19.659 -14.461 1.00 0.00 H new ATOM 317 N HIS A 22 -2.293 -17.843 -12.216 1.00 0.00 N ATOM 318 CA HIS A 22 -2.008 -16.701 -11.338 1.00 0.00 C ATOM 319 C HIS A 22 -1.941 -17.165 -9.866 1.00 0.00 C ATOM 320 O HIS A 22 -2.959 -17.576 -9.293 1.00 0.00 O ATOM 321 CB HIS A 22 -3.099 -15.604 -11.495 1.00 0.00 C ATOM 322 CG HIS A 22 -2.959 -14.472 -10.503 1.00 0.00 C ATOM 323 ND1 HIS A 22 -3.558 -14.492 -9.262 1.00 0.00 N ATOM 324 CD2 HIS A 22 -2.247 -13.326 -10.549 1.00 0.00 C ATOM 325 CE1 HIS A 22 -3.221 -13.418 -8.596 1.00 0.00 C ATOM 326 NE2 HIS A 22 -2.426 -12.695 -9.347 1.00 0.00 N ATOM 0 H HIS A 22 -3.253 -17.868 -12.561 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.045 -16.280 -11.625 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.054 -15.199 -12.506 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.082 -16.060 -11.378 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -4.170 -15.231 -8.916 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.650 -12.974 -11.377 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.543 -13.169 -7.596 1.00 0.00 H new ATOM 335 N MET A 23 -0.740 -17.100 -9.265 1.00 0.00 N ATOM 336 CA MET A 23 -0.566 -17.265 -7.812 1.00 0.00 C ATOM 337 C MET A 23 -0.348 -15.874 -7.172 1.00 0.00 C ATOM 338 O MET A 23 0.283 -15.010 -7.793 1.00 0.00 O ATOM 339 CB MET A 23 0.623 -18.222 -7.489 1.00 0.00 C ATOM 340 CG MET A 23 2.009 -17.763 -7.979 1.00 0.00 C ATOM 341 SD MET A 23 3.335 -18.895 -7.495 1.00 0.00 S ATOM 342 CE MET A 23 2.840 -20.432 -8.286 1.00 0.00 C ATOM 0 H MET A 23 0.131 -16.933 -9.769 1.00 0.00 H new ATOM 0 HA MET A 23 -1.464 -17.720 -7.394 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.669 -18.361 -6.409 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.409 -19.197 -7.927 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.993 -17.672 -9.065 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.220 -16.771 -7.579 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.682 -21.124 -8.295 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.012 -20.876 -7.733 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.525 -20.229 -9.310 1.00 0.00 H new ATOM 352 N PRO A 24 -0.904 -15.606 -5.946 1.00 0.00 N ATOM 353 CA PRO A 24 -0.626 -14.355 -5.191 1.00 0.00 C ATOM 354 C PRO A 24 0.747 -14.392 -4.485 1.00 0.00 C ATOM 355 O PRO A 24 1.155 -13.406 -3.853 1.00 0.00 O ATOM 356 CB PRO A 24 -1.807 -14.272 -4.167 1.00 0.00 C ATOM 357 CG PRO A 24 -2.724 -15.430 -4.506 1.00 0.00 C ATOM 358 CD PRO A 24 -1.863 -16.456 -5.204 1.00 0.00 C ATOM 0 HA PRO A 24 -0.570 -13.481 -5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.443 -14.347 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.331 -13.320 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.174 -15.847 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.541 -15.104 -5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.360 -17.115 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.446 -17.091 -5.872 1.00 0.00 H new ATOM 366 N ASN A 25 1.428 -15.556 -4.581 1.00 0.00 N ATOM 367 CA ASN A 25 2.775 -15.773 -4.022 1.00 0.00 C ATOM 368 C ASN A 25 3.814 -15.031 -4.886 1.00 0.00 C ATOM 369 O ASN A 25 4.314 -15.578 -5.886 1.00 0.00 O ATOM 370 CB ASN A 25 3.072 -17.304 -3.962 1.00 0.00 C ATOM 371 CG ASN A 25 4.364 -17.690 -3.215 1.00 0.00 C ATOM 372 OD1 ASN A 25 5.331 -16.928 -3.138 1.00 0.00 O ATOM 373 ND2 ASN A 25 4.391 -18.901 -2.674 1.00 0.00 N ATOM 0 H ASN A 25 1.051 -16.377 -5.054 1.00 0.00 H new ATOM 0 HA ASN A 25 2.830 -15.376 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.230 -17.803 -3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.131 -17.687 -4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.225 -19.221 -2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.578 -19.512 -2.751 1.00 0.00 H new ATOM 380 N ASP A 26 4.071 -13.769 -4.515 1.00 0.00 N ATOM 381 CA ASP A 26 5.034 -12.884 -5.199 1.00 0.00 C ATOM 382 C ASP A 26 5.265 -11.632 -4.326 1.00 0.00 C ATOM 383 O ASP A 26 4.572 -11.448 -3.324 1.00 0.00 O ATOM 384 CB ASP A 26 4.496 -12.484 -6.612 1.00 0.00 C ATOM 385 CG ASP A 26 5.545 -11.778 -7.491 1.00 0.00 C ATOM 386 OD1 ASP A 26 6.464 -12.467 -7.986 1.00 0.00 O ATOM 387 OD2 ASP A 26 5.482 -10.543 -7.668 1.00 0.00 O ATOM 0 H ASP A 26 3.611 -13.325 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 26 5.980 -13.406 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.146 -13.379 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.634 -11.828 -6.492 1.00 0.00 H new ATOM 392 N MET A 27 6.251 -10.791 -4.688 1.00 0.00 N ATOM 393 CA MET A 27 6.495 -9.501 -4.012 1.00 0.00 C ATOM 394 C MET A 27 5.567 -8.426 -4.611 1.00 0.00 C ATOM 395 O MET A 27 4.686 -7.888 -3.915 1.00 0.00 O ATOM 396 CB MET A 27 7.992 -9.092 -4.137 1.00 0.00 C ATOM 397 CG MET A 27 8.326 -7.713 -3.540 1.00 0.00 C ATOM 398 SD MET A 27 7.908 -7.600 -1.786 1.00 0.00 S ATOM 399 CE MET A 27 8.087 -5.842 -1.483 1.00 0.00 C ATOM 0 H MET A 27 6.898 -10.984 -5.453 1.00 0.00 H new ATOM 0 HA MET A 27 6.272 -9.600 -2.950 1.00 0.00 H new ATOM 0 HB2 MET A 27 8.605 -9.846 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.270 -9.095 -5.191 1.00 0.00 H new ATOM 0 HG2 MET A 27 9.389 -7.512 -3.671 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.786 -6.942 -4.090 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.859 -5.628 -0.439 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.111 -5.538 -1.701 1.00 0.00 H new ATOM 0 HE3 MET A 27 7.400 -5.290 -2.125 1.00 0.00 H new ATOM 409 N GLU A 28 5.749 -8.164 -5.924 1.00 0.00 N ATOM 410 CA GLU A 28 5.011 -7.117 -6.650 1.00 0.00 C ATOM 411 C GLU A 28 3.508 -7.398 -6.674 1.00 0.00 C ATOM 412 O GLU A 28 2.736 -6.578 -6.193 1.00 0.00 O ATOM 413 CB GLU A 28 5.544 -6.949 -8.103 1.00 0.00 C ATOM 414 CG GLU A 28 6.977 -6.400 -8.207 1.00 0.00 C ATOM 415 CD GLU A 28 7.413 -6.143 -9.656 1.00 0.00 C ATOM 416 OE1 GLU A 28 7.129 -5.047 -10.188 1.00 0.00 O ATOM 417 OE2 GLU A 28 8.023 -7.039 -10.276 1.00 0.00 O ATOM 0 H GLU A 28 6.412 -8.675 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 28 5.176 -6.185 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.504 -7.916 -8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.874 -6.282 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.047 -5.471 -7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.666 -7.107 -7.745 1.00 0.00 H new ATOM 424 N ASP A 29 3.134 -8.585 -7.200 1.00 0.00 N ATOM 425 CA ASP A 29 1.723 -8.984 -7.430 1.00 0.00 C ATOM 426 C ASP A 29 0.908 -8.970 -6.128 1.00 0.00 C ATOM 427 O ASP A 29 -0.259 -8.589 -6.138 1.00 0.00 O ATOM 428 CB ASP A 29 1.657 -10.387 -8.095 1.00 0.00 C ATOM 429 CG ASP A 29 0.217 -10.871 -8.375 1.00 0.00 C ATOM 430 OD1 ASP A 29 -0.375 -10.466 -9.411 1.00 0.00 O ATOM 431 OD2 ASP A 29 -0.341 -11.641 -7.558 1.00 0.00 O ATOM 0 H ASP A 29 3.806 -9.300 -7.480 1.00 0.00 H new ATOM 0 HA ASP A 29 1.280 -8.251 -8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.212 -10.362 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.155 -11.110 -7.449 1.00 0.00 H new ATOM 436 N HIS A 30 1.541 -9.378 -5.021 1.00 0.00 N ATOM 437 CA HIS A 30 0.891 -9.458 -3.701 1.00 0.00 C ATOM 438 C HIS A 30 0.546 -8.048 -3.162 1.00 0.00 C ATOM 439 O HIS A 30 -0.570 -7.818 -2.673 1.00 0.00 O ATOM 440 CB HIS A 30 1.813 -10.222 -2.719 1.00 0.00 C ATOM 441 CG HIS A 30 1.205 -10.535 -1.376 1.00 0.00 C ATOM 442 ND1 HIS A 30 1.922 -10.502 -0.200 1.00 0.00 N ATOM 443 CD2 HIS A 30 -0.049 -10.920 -1.033 1.00 0.00 C ATOM 444 CE1 HIS A 30 1.142 -10.858 0.796 1.00 0.00 C ATOM 445 NE2 HIS A 30 -0.060 -11.117 0.319 1.00 0.00 N ATOM 0 H HIS A 30 2.520 -9.663 -5.012 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.048 -10.002 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.120 -11.157 -3.187 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.717 -9.633 -2.562 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.885 -11.047 -1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.436 -10.927 1.833 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.866 -11.415 0.869 1.00 0.00 H new ATOM 454 N LEU A 31 1.510 -7.112 -3.271 1.00 0.00 N ATOM 455 CA LEU A 31 1.302 -5.693 -2.878 1.00 0.00 C ATOM 456 C LEU A 31 0.337 -5.019 -3.885 1.00 0.00 C ATOM 457 O LEU A 31 -0.430 -4.124 -3.529 1.00 0.00 O ATOM 458 CB LEU A 31 2.694 -4.961 -2.783 1.00 0.00 C ATOM 459 CG LEU A 31 2.781 -3.637 -1.914 1.00 0.00 C ATOM 460 CD1 LEU A 31 2.129 -2.415 -2.595 1.00 0.00 C ATOM 461 CD2 LEU A 31 2.190 -3.858 -0.500 1.00 0.00 C ATOM 0 H LEU A 31 2.445 -7.309 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 31 0.840 -5.630 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.418 -5.671 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.013 -4.717 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 31 3.842 -3.407 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.224 -1.544 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.628 -2.218 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.074 -2.619 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.263 -2.934 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.143 -4.151 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.747 -4.645 0.008 1.00 0.00 H new ATOM 473 N LEU A 32 0.352 -5.520 -5.127 1.00 0.00 N ATOM 474 CA LEU A 32 -0.487 -5.022 -6.234 1.00 0.00 C ATOM 475 C LEU A 32 -1.955 -5.474 -6.028 1.00 0.00 C ATOM 476 O LEU A 32 -2.889 -4.812 -6.495 1.00 0.00 O ATOM 477 CB LEU A 32 0.094 -5.545 -7.589 1.00 0.00 C ATOM 478 CG LEU A 32 -0.088 -4.637 -8.843 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.590 -3.261 -8.636 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.462 -5.339 -10.115 1.00 0.00 C ATOM 0 H LEU A 32 0.956 -6.296 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.479 -3.932 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.161 -5.722 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.365 -6.511 -7.802 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.155 -4.466 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.448 -2.648 -9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.144 -2.761 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.656 -3.404 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.325 -4.688 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.523 -5.549 -9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.076 -6.273 -10.276 1.00 0.00 H new ATOM 492 N THR A 33 -2.131 -6.616 -5.316 1.00 0.00 N ATOM 493 CA THR A 33 -3.451 -7.126 -4.898 1.00 0.00 C ATOM 494 C THR A 33 -4.035 -6.213 -3.805 1.00 0.00 C ATOM 495 O THR A 33 -5.214 -5.872 -3.843 1.00 0.00 O ATOM 496 CB THR A 33 -3.388 -8.616 -4.391 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.825 -9.455 -5.409 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.780 -9.168 -4.020 1.00 0.00 C ATOM 0 H THR A 33 -1.355 -7.207 -5.017 1.00 0.00 H new ATOM 0 HA THR A 33 -4.100 -7.118 -5.774 1.00 0.00 H new ATOM 0 HB THR A 33 -2.766 -8.620 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.938 -9.119 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.683 -10.198 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.213 -8.560 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.429 -9.137 -4.895 1.00 0.00 H new ATOM 506 N VAL A 34 -3.173 -5.802 -2.854 1.00 0.00 N ATOM 507 CA VAL A 34 -3.527 -4.817 -1.806 1.00 0.00 C ATOM 508 C VAL A 34 -4.027 -3.500 -2.446 1.00 0.00 C ATOM 509 O VAL A 34 -5.035 -2.928 -2.018 1.00 0.00 O ATOM 510 CB VAL A 34 -2.291 -4.536 -0.868 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.549 -3.371 0.117 1.00 0.00 C ATOM 512 CG2 VAL A 34 -1.869 -5.820 -0.120 1.00 0.00 C ATOM 0 H VAL A 34 -2.213 -6.141 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.331 -5.236 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.466 -4.224 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.667 -3.219 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.759 -2.460 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.403 -3.612 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.015 -5.603 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.700 -6.175 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.595 -6.588 -0.843 1.00 0.00 H new ATOM 522 N LEU A 35 -3.317 -3.071 -3.503 1.00 0.00 N ATOM 523 CA LEU A 35 -3.625 -1.842 -4.248 1.00 0.00 C ATOM 524 C LEU A 35 -4.946 -1.948 -5.013 1.00 0.00 C ATOM 525 O LEU A 35 -5.695 -0.977 -5.068 1.00 0.00 O ATOM 526 CB LEU A 35 -2.470 -1.522 -5.225 1.00 0.00 C ATOM 527 CG LEU A 35 -1.148 -1.066 -4.552 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.002 -0.942 -5.577 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.362 0.250 -3.771 1.00 0.00 C ATOM 0 H LEU A 35 -2.507 -3.573 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.733 -1.034 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.267 -2.408 -5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.800 -0.741 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.850 -1.834 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.907 -0.621 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.169 -1.909 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.271 -0.209 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.424 0.554 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.697 1.029 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.116 0.097 -2.999 1.00 0.00 H new ATOM 541 N SER A 36 -5.213 -3.125 -5.609 1.00 0.00 N ATOM 542 CA SER A 36 -6.405 -3.345 -6.442 1.00 0.00 C ATOM 543 C SER A 36 -7.679 -3.400 -5.585 1.00 0.00 C ATOM 544 O SER A 36 -8.767 -3.046 -6.055 1.00 0.00 O ATOM 545 CB SER A 36 -6.236 -4.619 -7.299 1.00 0.00 C ATOM 546 OG SER A 36 -6.013 -5.773 -6.513 1.00 0.00 O ATOM 0 H SER A 36 -4.611 -3.944 -5.526 1.00 0.00 H new ATOM 0 HA SER A 36 -6.513 -2.498 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.128 -4.765 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.400 -4.483 -7.985 1.00 0.00 H new ATOM 0 HG SER A 36 -5.816 -5.507 -5.590 1.00 0.00 H new ATOM 552 N VAL A 37 -7.530 -3.850 -4.331 1.00 0.00 N ATOM 553 CA VAL A 37 -8.620 -3.847 -3.342 1.00 0.00 C ATOM 554 C VAL A 37 -8.866 -2.410 -2.817 1.00 0.00 C ATOM 555 O VAL A 37 -10.017 -1.994 -2.667 1.00 0.00 O ATOM 556 CB VAL A 37 -8.300 -4.838 -2.149 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.381 -4.785 -1.043 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.132 -6.287 -2.677 1.00 0.00 C ATOM 0 H VAL A 37 -6.652 -4.226 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.530 -4.195 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.361 -4.513 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.120 -5.481 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.439 -3.774 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.347 -5.062 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.912 -6.955 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.053 -6.606 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.312 -6.320 -3.394 1.00 0.00 H new ATOM 568 N ALA A 38 -7.764 -1.660 -2.592 1.00 0.00 N ATOM 569 CA ALA A 38 -7.803 -0.281 -2.048 1.00 0.00 C ATOM 570 C ALA A 38 -8.400 0.726 -3.061 1.00 0.00 C ATOM 571 O ALA A 38 -9.097 1.671 -2.665 1.00 0.00 O ATOM 572 CB ALA A 38 -6.391 0.151 -1.613 1.00 0.00 C ATOM 0 H ALA A 38 -6.819 -1.994 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.460 -0.282 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.427 1.165 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.023 -0.528 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.721 0.123 -2.472 1.00 0.00 H new ATOM 578 N SER A 39 -8.119 0.515 -4.362 1.00 0.00 N ATOM 579 CA SER A 39 -8.592 1.398 -5.446 1.00 0.00 C ATOM 580 C SER A 39 -9.936 0.903 -6.005 1.00 0.00 C ATOM 581 O SER A 39 -10.926 1.645 -6.034 1.00 0.00 O ATOM 582 CB SER A 39 -7.532 1.461 -6.567 1.00 0.00 C ATOM 583 OG SER A 39 -7.256 0.174 -7.107 1.00 0.00 O ATOM 0 H SER A 39 -7.558 -0.271 -4.690 1.00 0.00 H new ATOM 0 HA SER A 39 -8.743 2.399 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.882 2.121 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.613 1.895 -6.174 1.00 0.00 H new ATOM 0 HG SER A 39 -6.692 -0.328 -6.483 1.00 0.00 H new ATOM 589 N GLY A 40 -9.951 -0.369 -6.443 1.00 0.00 N ATOM 590 CA GLY A 40 -11.110 -0.973 -7.095 1.00 0.00 C ATOM 591 C GLY A 40 -10.768 -1.526 -8.474 1.00 0.00 C ATOM 592 O GLY A 40 -11.427 -2.456 -8.951 1.00 0.00 O ATOM 0 H GLY A 40 -9.156 -1.001 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.500 -1.776 -6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.901 -0.229 -7.189 1.00 0.00 H new ATOM 596 N VAL A 41 -9.736 -0.941 -9.121 1.00 0.00 N ATOM 597 CA VAL A 41 -9.275 -1.360 -10.460 1.00 0.00 C ATOM 598 C VAL A 41 -8.368 -2.609 -10.352 1.00 0.00 C ATOM 599 O VAL A 41 -7.707 -2.779 -9.332 1.00 0.00 O ATOM 600 CB VAL A 41 -8.515 -0.190 -11.192 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.447 1.014 -11.423 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.226 0.237 -10.445 1.00 0.00 C ATOM 0 H VAL A 41 -9.201 -0.166 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.153 -1.614 -11.054 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.203 -0.574 -12.163 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.898 1.807 -11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.292 0.707 -12.039 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.812 1.381 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.740 1.046 -10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.483 0.579 -9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.547 -0.613 -10.376 1.00 0.00 H new ATOM 612 N PRO A 42 -8.358 -3.520 -11.384 1.00 0.00 N ATOM 613 CA PRO A 42 -7.466 -4.717 -11.415 1.00 0.00 C ATOM 614 C PRO A 42 -5.968 -4.390 -11.216 1.00 0.00 C ATOM 615 O PRO A 42 -5.532 -3.260 -11.452 1.00 0.00 O ATOM 616 CB PRO A 42 -7.723 -5.320 -12.827 1.00 0.00 C ATOM 617 CG PRO A 42 -9.114 -4.879 -13.167 1.00 0.00 C ATOM 618 CD PRO A 42 -9.255 -3.492 -12.573 1.00 0.00 C ATOM 0 HA PRO A 42 -7.690 -5.396 -10.593 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.000 -4.952 -13.555 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.641 -6.407 -12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.267 -4.861 -14.246 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.855 -5.561 -12.751 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.954 -2.721 -13.282 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.286 -3.281 -12.291 1.00 0.00 H new ATOM 626 N LYS A 43 -5.199 -5.416 -10.806 1.00 0.00 N ATOM 627 CA LYS A 43 -3.740 -5.312 -10.560 1.00 0.00 C ATOM 628 C LYS A 43 -2.998 -4.895 -11.848 1.00 0.00 C ATOM 629 O LYS A 43 -2.030 -4.138 -11.809 1.00 0.00 O ATOM 630 CB LYS A 43 -3.187 -6.676 -10.081 1.00 0.00 C ATOM 631 CG LYS A 43 -3.888 -7.272 -8.844 1.00 0.00 C ATOM 632 CD LYS A 43 -3.427 -8.720 -8.507 1.00 0.00 C ATOM 633 CE LYS A 43 -3.900 -9.783 -9.529 1.00 0.00 C ATOM 634 NZ LYS A 43 -3.200 -9.701 -10.847 1.00 0.00 N ATOM 0 H LYS A 43 -5.571 -6.350 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.578 -4.555 -9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.265 -7.389 -10.901 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.126 -6.561 -9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.699 -6.629 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.965 -7.272 -9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.339 -8.741 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.800 -8.989 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.745 -10.776 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.972 -9.669 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.955 -10.659 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.825 -9.249 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.332 -9.138 -10.744 1.00 0.00 H new ATOM 648 N GLU A 44 -3.494 -5.408 -12.982 1.00 0.00 N ATOM 649 CA GLU A 44 -2.909 -5.181 -14.316 1.00 0.00 C ATOM 650 C GLU A 44 -3.252 -3.779 -14.869 1.00 0.00 C ATOM 651 O GLU A 44 -2.731 -3.377 -15.914 1.00 0.00 O ATOM 652 CB GLU A 44 -3.406 -6.299 -15.261 1.00 0.00 C ATOM 653 CG GLU A 44 -3.005 -7.724 -14.802 1.00 0.00 C ATOM 654 CD GLU A 44 -3.778 -8.840 -15.527 1.00 0.00 C ATOM 655 OE1 GLU A 44 -3.377 -9.226 -16.640 1.00 0.00 O ATOM 656 OE2 GLU A 44 -4.792 -9.321 -14.982 1.00 0.00 O ATOM 0 H GLU A 44 -4.324 -6.001 -13.002 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.822 -5.216 -14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.492 -6.243 -15.337 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.007 -6.123 -16.260 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.937 -7.864 -14.969 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.174 -7.813 -13.729 1.00 0.00 H new ATOM 663 N GLU A 45 -4.152 -3.065 -14.172 1.00 0.00 N ATOM 664 CA GLU A 45 -4.451 -1.642 -14.437 1.00 0.00 C ATOM 665 C GLU A 45 -3.547 -0.727 -13.588 1.00 0.00 C ATOM 666 O GLU A 45 -3.586 0.502 -13.724 1.00 0.00 O ATOM 667 CB GLU A 45 -5.947 -1.369 -14.129 1.00 0.00 C ATOM 668 CG GLU A 45 -6.923 -2.122 -15.048 1.00 0.00 C ATOM 669 CD GLU A 45 -6.891 -1.629 -16.501 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.424 -0.529 -16.770 1.00 0.00 O ATOM 671 OE2 GLU A 45 -6.340 -2.329 -17.382 1.00 0.00 O ATOM 0 H GLU A 45 -4.697 -3.458 -13.404 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.253 -1.424 -15.486 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.151 -1.646 -13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.136 -0.299 -14.215 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.684 -3.185 -15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.935 -2.015 -14.657 1.00 0.00 H new ATOM 678 N ILE A 46 -2.725 -1.350 -12.720 1.00 0.00 N ATOM 679 CA ILE A 46 -1.818 -0.653 -11.797 1.00 0.00 C ATOM 680 C ILE A 46 -0.356 -0.985 -12.169 1.00 0.00 C ATOM 681 O ILE A 46 -0.032 -2.129 -12.511 1.00 0.00 O ATOM 682 CB ILE A 46 -2.101 -1.089 -10.307 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.631 -1.007 -9.988 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.280 -0.237 -9.302 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.029 -1.552 -8.634 1.00 0.00 C ATOM 0 H ILE A 46 -2.675 -2.366 -12.642 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.985 0.421 -11.881 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.783 -2.126 -10.197 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.945 0.035 -10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.178 -1.552 -10.758 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.498 -0.563 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.216 -0.363 -9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.548 0.814 -9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.107 -1.452 -8.504 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.752 -2.604 -8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.516 -0.993 -7.852 1.00 0.00 H new ATOM 697 N SER A 47 0.513 0.035 -12.123 1.00 0.00 N ATOM 698 CA SER A 47 1.963 -0.109 -12.330 1.00 0.00 C ATOM 699 C SER A 47 2.695 0.673 -11.234 1.00 0.00 C ATOM 700 O SER A 47 2.092 1.535 -10.585 1.00 0.00 O ATOM 701 CB SER A 47 2.349 0.431 -13.729 1.00 0.00 C ATOM 702 OG SER A 47 1.645 -0.256 -14.755 1.00 0.00 O ATOM 0 H SER A 47 0.226 0.996 -11.939 1.00 0.00 H new ATOM 0 HA SER A 47 2.247 -1.160 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.129 1.497 -13.784 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.422 0.319 -13.882 1.00 0.00 H new ATOM 0 HG SER A 47 1.905 0.105 -15.628 1.00 0.00 H new ATOM 708 N ARG A 48 3.989 0.372 -11.023 1.00 0.00 N ATOM 709 CA ARG A 48 4.846 1.150 -10.098 1.00 0.00 C ATOM 710 C ARG A 48 5.058 2.576 -10.651 1.00 0.00 C ATOM 711 O ARG A 48 5.077 3.555 -9.894 1.00 0.00 O ATOM 712 CB ARG A 48 6.204 0.444 -9.854 1.00 0.00 C ATOM 713 CG ARG A 48 6.095 -0.995 -9.299 1.00 0.00 C ATOM 714 CD ARG A 48 7.465 -1.621 -8.970 1.00 0.00 C ATOM 715 NE ARG A 48 8.412 -1.537 -10.103 1.00 0.00 N ATOM 716 CZ ARG A 48 9.418 -2.395 -10.351 1.00 0.00 C ATOM 717 NH1 ARG A 48 9.603 -3.478 -9.607 1.00 0.00 N ATOM 718 NH2 ARG A 48 10.245 -2.154 -11.357 1.00 0.00 N ATOM 0 H ARG A 48 4.468 -0.404 -11.479 1.00 0.00 H new ATOM 0 HA ARG A 48 4.338 1.217 -9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.757 0.416 -10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.790 1.044 -9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.481 -0.985 -8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.582 -1.622 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.893 -1.116 -8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.326 -2.666 -8.693 1.00 0.00 H new ATOM 0 HE ARG A 48 8.292 -0.760 -10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.975 -3.675 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.373 -4.114 -9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.116 -1.324 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.011 -2.798 -11.553 1.00 0.00 H new ATOM 732 N ASP A 49 5.131 2.654 -11.998 1.00 0.00 N ATOM 733 CA ASP A 49 5.306 3.912 -12.769 1.00 0.00 C ATOM 734 C ASP A 49 4.146 4.913 -12.539 1.00 0.00 C ATOM 735 O ASP A 49 4.286 6.116 -12.801 1.00 0.00 O ATOM 736 CB ASP A 49 5.396 3.590 -14.292 1.00 0.00 C ATOM 737 CG ASP A 49 6.429 2.503 -14.649 1.00 0.00 C ATOM 738 OD1 ASP A 49 6.144 1.304 -14.419 1.00 0.00 O ATOM 739 OD2 ASP A 49 7.519 2.833 -15.172 1.00 0.00 O ATOM 0 H ASP A 49 5.069 1.829 -12.595 1.00 0.00 H new ATOM 0 HA ASP A 49 6.227 4.376 -12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.414 3.272 -14.643 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.646 4.504 -14.831 1.00 0.00 H new ATOM 744 N SER A 50 3.007 4.385 -12.066 1.00 0.00 N ATOM 745 CA SER A 50 1.762 5.139 -11.879 1.00 0.00 C ATOM 746 C SER A 50 1.848 6.078 -10.649 1.00 0.00 C ATOM 747 O SER A 50 2.654 5.861 -9.731 1.00 0.00 O ATOM 748 CB SER A 50 0.583 4.145 -11.733 1.00 0.00 C ATOM 749 OG SER A 50 -0.681 4.796 -11.711 1.00 0.00 O ATOM 0 H SER A 50 2.926 3.404 -11.798 1.00 0.00 H new ATOM 0 HA SER A 50 1.598 5.770 -12.752 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.607 3.434 -12.559 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.708 3.571 -10.815 1.00 0.00 H new ATOM 0 HG SER A 50 -0.761 5.327 -10.891 1.00 0.00 H new ATOM 755 N ARG A 51 1.023 7.136 -10.670 1.00 0.00 N ATOM 756 CA ARG A 51 0.864 8.071 -9.539 1.00 0.00 C ATOM 757 C ARG A 51 -0.292 7.614 -8.624 1.00 0.00 C ATOM 758 O ARG A 51 -0.984 6.630 -8.913 1.00 0.00 O ATOM 759 CB ARG A 51 0.617 9.514 -10.073 1.00 0.00 C ATOM 760 CG ARG A 51 1.803 10.108 -10.866 1.00 0.00 C ATOM 761 CD ARG A 51 3.045 10.348 -9.989 1.00 0.00 C ATOM 762 NE ARG A 51 4.217 10.731 -10.792 1.00 0.00 N ATOM 763 CZ ARG A 51 5.244 11.482 -10.372 1.00 0.00 C ATOM 764 NH1 ARG A 51 5.218 12.085 -9.189 1.00 0.00 N ATOM 765 NH2 ARG A 51 6.288 11.659 -11.165 1.00 0.00 N ATOM 0 H ARG A 51 0.443 7.371 -11.475 1.00 0.00 H new ATOM 0 HA ARG A 51 1.780 8.075 -8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.266 9.506 -10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.394 10.168 -9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.064 9.433 -11.681 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.496 11.051 -11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.831 11.132 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.271 9.443 -9.425 1.00 0.00 H new ATOM 0 HE ARG A 51 4.251 10.395 -11.754 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.406 11.981 -8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.011 12.652 -8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.307 11.225 -12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.074 12.229 -10.853 1.00 0.00 H new ATOM 779 N MET A 52 -0.487 8.346 -7.517 1.00 0.00 N ATOM 780 CA MET A 52 -1.499 8.028 -6.495 1.00 0.00 C ATOM 781 C MET A 52 -2.624 9.065 -6.509 1.00 0.00 C ATOM 782 O MET A 52 -2.418 10.237 -6.172 1.00 0.00 O ATOM 783 CB MET A 52 -0.851 7.975 -5.096 1.00 0.00 C ATOM 784 CG MET A 52 0.071 6.781 -4.873 1.00 0.00 C ATOM 785 SD MET A 52 0.724 6.749 -3.200 1.00 0.00 S ATOM 786 CE MET A 52 1.487 5.140 -3.180 1.00 0.00 C ATOM 0 H MET A 52 0.057 9.182 -7.303 1.00 0.00 H new ATOM 0 HA MET A 52 -1.922 7.051 -6.727 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.283 8.892 -4.937 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.640 7.955 -4.344 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.475 5.858 -5.068 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.896 6.820 -5.585 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.261 4.642 -2.237 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.101 4.544 -4.007 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.567 5.248 -3.284 1.00 0.00 H new ATOM 796 N GLU A 53 -3.808 8.604 -6.927 1.00 0.00 N ATOM 797 CA GLU A 53 -5.057 9.383 -6.924 1.00 0.00 C ATOM 798 C GLU A 53 -6.164 8.473 -6.372 1.00 0.00 C ATOM 799 O GLU A 53 -6.864 8.812 -5.408 1.00 0.00 O ATOM 800 CB GLU A 53 -5.403 9.863 -8.365 1.00 0.00 C ATOM 801 CG GLU A 53 -4.286 10.683 -9.050 1.00 0.00 C ATOM 802 CD GLU A 53 -4.631 11.107 -10.481 1.00 0.00 C ATOM 803 OE1 GLU A 53 -4.465 10.290 -11.416 1.00 0.00 O ATOM 804 OE2 GLU A 53 -5.068 12.258 -10.684 1.00 0.00 O ATOM 0 H GLU A 53 -3.930 7.657 -7.286 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.954 10.273 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.627 8.992 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.309 10.468 -8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.082 11.573 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.370 10.093 -9.065 1.00 0.00 H new ATOM 811 N ASP A 54 -6.276 7.292 -7.001 1.00 0.00 N ATOM 812 CA ASP A 54 -7.248 6.242 -6.638 1.00 0.00 C ATOM 813 C ASP A 54 -6.566 5.167 -5.774 1.00 0.00 C ATOM 814 O ASP A 54 -7.155 4.648 -4.824 1.00 0.00 O ATOM 815 CB ASP A 54 -7.814 5.592 -7.942 1.00 0.00 C ATOM 816 CG ASP A 54 -8.403 6.624 -8.920 1.00 0.00 C ATOM 817 OD1 ASP A 54 -7.625 7.272 -9.658 1.00 0.00 O ATOM 818 OD2 ASP A 54 -9.640 6.808 -8.949 1.00 0.00 O ATOM 0 H ASP A 54 -5.684 7.033 -7.790 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.063 6.686 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.018 5.039 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.586 4.870 -7.676 1.00 0.00 H new ATOM 823 N LEU A 55 -5.299 4.869 -6.133 1.00 0.00 N ATOM 824 CA LEU A 55 -4.523 3.737 -5.585 1.00 0.00 C ATOM 825 C LEU A 55 -4.208 3.907 -4.088 1.00 0.00 C ATOM 826 O LEU A 55 -4.324 2.946 -3.320 1.00 0.00 O ATOM 827 CB LEU A 55 -3.215 3.563 -6.408 1.00 0.00 C ATOM 828 CG LEU A 55 -3.415 3.430 -7.955 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.070 3.379 -8.703 1.00 0.00 C ATOM 830 CD2 LEU A 55 -4.305 2.217 -8.311 1.00 0.00 C ATOM 0 H LEU A 55 -4.780 5.415 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.135 2.839 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.566 4.417 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.693 2.677 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.936 4.327 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.252 3.287 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.510 4.294 -8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.494 2.521 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.422 2.156 -9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.838 1.303 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.284 2.335 -7.847 1.00 0.00 H new ATOM 842 N ALA A 56 -3.809 5.137 -3.702 1.00 0.00 N ATOM 843 CA ALA A 56 -3.487 5.492 -2.308 1.00 0.00 C ATOM 844 C ALA A 56 -3.349 7.017 -2.175 1.00 0.00 C ATOM 845 O ALA A 56 -2.241 7.546 -2.274 1.00 0.00 O ATOM 846 CB ALA A 56 -2.205 4.772 -1.821 1.00 0.00 C ATOM 0 H ALA A 56 -3.701 5.914 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.305 5.157 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.997 5.057 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.350 3.693 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.364 5.059 -2.453 1.00 0.00 H new ATOM 852 N PHE A 57 -4.479 7.721 -1.977 1.00 0.00 N ATOM 853 CA PHE A 57 -4.481 9.198 -1.853 1.00 0.00 C ATOM 854 C PHE A 57 -5.662 9.663 -1.002 1.00 0.00 C ATOM 855 O PHE A 57 -5.496 10.503 -0.112 1.00 0.00 O ATOM 856 CB PHE A 57 -4.510 9.869 -3.256 1.00 0.00 C ATOM 857 CG PHE A 57 -4.379 11.399 -3.236 1.00 0.00 C ATOM 858 CD1 PHE A 57 -5.506 12.224 -3.148 1.00 0.00 C ATOM 859 CD2 PHE A 57 -3.121 12.009 -3.279 1.00 0.00 C ATOM 860 CE1 PHE A 57 -5.380 13.595 -3.109 1.00 0.00 C ATOM 861 CE2 PHE A 57 -2.997 13.384 -3.244 1.00 0.00 C ATOM 862 CZ PHE A 57 -4.126 14.177 -3.152 1.00 0.00 C ATOM 0 H PHE A 57 -5.403 7.295 -1.899 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.561 9.502 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.701 9.456 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.444 9.604 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.489 11.779 -3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.234 11.396 -3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.261 14.216 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.019 13.840 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.029 15.252 -3.114 1.00 0.00 H new ATOM 872 N ASP A 58 -6.854 9.143 -1.315 1.00 0.00 N ATOM 873 CA ASP A 58 -8.082 9.428 -0.548 1.00 0.00 C ATOM 874 C ASP A 58 -7.936 8.905 0.900 1.00 0.00 C ATOM 875 O ASP A 58 -7.319 7.858 1.113 1.00 0.00 O ATOM 876 CB ASP A 58 -9.311 8.809 -1.263 1.00 0.00 C ATOM 877 CG ASP A 58 -10.639 9.023 -0.516 1.00 0.00 C ATOM 878 OD1 ASP A 58 -11.293 10.067 -0.724 1.00 0.00 O ATOM 879 OD2 ASP A 58 -11.011 8.167 0.306 1.00 0.00 O ATOM 0 H ASP A 58 -6.999 8.514 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.237 10.506 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.393 9.239 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.145 7.739 -1.390 1.00 0.00 H new ATOM 884 N SER A 59 -8.511 9.646 1.872 1.00 0.00 N ATOM 885 CA SER A 59 -8.372 9.360 3.313 1.00 0.00 C ATOM 886 C SER A 59 -8.816 7.921 3.655 1.00 0.00 C ATOM 887 O SER A 59 -8.110 7.209 4.363 1.00 0.00 O ATOM 888 CB SER A 59 -9.176 10.397 4.132 1.00 0.00 C ATOM 889 OG SER A 59 -10.550 10.401 3.756 1.00 0.00 O ATOM 0 H SER A 59 -9.088 10.464 1.676 1.00 0.00 H new ATOM 0 HA SER A 59 -7.317 9.439 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.088 10.171 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.753 11.390 3.981 1.00 0.00 H new ATOM 0 HG SER A 59 -11.034 11.064 4.291 1.00 0.00 H new ATOM 895 N LEU A 60 -9.968 7.502 3.091 1.00 0.00 N ATOM 896 CA LEU A 60 -10.538 6.155 3.296 1.00 0.00 C ATOM 897 C LEU A 60 -9.617 5.066 2.704 1.00 0.00 C ATOM 898 O LEU A 60 -9.430 4.006 3.310 1.00 0.00 O ATOM 899 CB LEU A 60 -11.947 6.079 2.653 1.00 0.00 C ATOM 900 CG LEU A 60 -12.713 4.724 2.805 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.056 4.424 4.287 1.00 0.00 C ATOM 902 CD2 LEU A 60 -13.974 4.698 1.913 1.00 0.00 C ATOM 0 H LEU A 60 -10.531 8.092 2.478 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.622 5.974 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.562 6.868 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.849 6.298 1.590 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.049 3.929 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.588 3.475 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.136 4.365 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.686 5.221 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.488 3.745 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.641 5.511 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.684 4.820 0.869 1.00 0.00 H new ATOM 914 N VAL A 61 -9.039 5.357 1.518 1.00 0.00 N ATOM 915 CA VAL A 61 -8.110 4.434 0.824 1.00 0.00 C ATOM 916 C VAL A 61 -6.842 4.193 1.674 1.00 0.00 C ATOM 917 O VAL A 61 -6.394 3.060 1.806 1.00 0.00 O ATOM 918 CB VAL A 61 -7.703 4.965 -0.611 1.00 0.00 C ATOM 919 CG1 VAL A 61 -6.709 4.009 -1.311 1.00 0.00 C ATOM 920 CG2 VAL A 61 -8.953 5.179 -1.494 1.00 0.00 C ATOM 0 H VAL A 61 -9.200 6.231 1.017 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.640 3.491 0.692 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.205 5.924 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.453 4.406 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.805 3.919 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.168 3.027 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.648 5.544 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.484 4.234 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.610 5.910 -1.023 1.00 0.00 H new ATOM 930 N VAL A 62 -6.299 5.278 2.255 1.00 0.00 N ATOM 931 CA VAL A 62 -5.083 5.244 3.105 1.00 0.00 C ATOM 932 C VAL A 62 -5.382 4.578 4.471 1.00 0.00 C ATOM 933 O VAL A 62 -4.508 3.921 5.047 1.00 0.00 O ATOM 934 CB VAL A 62 -4.492 6.699 3.283 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.294 6.734 4.261 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.091 7.293 1.905 1.00 0.00 C ATOM 0 H VAL A 62 -6.691 6.214 2.150 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.328 4.637 2.606 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.278 7.314 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.925 7.756 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.614 6.379 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.498 6.092 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.686 8.295 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.336 6.658 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.969 7.343 1.261 1.00 0.00 H new ATOM 946 N SER A 63 -6.634 4.724 4.956 1.00 0.00 N ATOM 947 CA SER A 63 -7.110 4.073 6.198 1.00 0.00 C ATOM 948 C SER A 63 -7.156 2.547 6.011 1.00 0.00 C ATOM 949 O SER A 63 -6.739 1.787 6.899 1.00 0.00 O ATOM 950 CB SER A 63 -8.510 4.600 6.588 1.00 0.00 C ATOM 951 OG SER A 63 -8.481 5.988 6.866 1.00 0.00 O ATOM 0 H SER A 63 -7.344 5.296 4.498 1.00 0.00 H new ATOM 0 HA SER A 63 -6.413 4.313 7.001 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.213 4.404 5.778 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.873 4.060 7.462 1.00 0.00 H new ATOM 0 HG SER A 63 -8.351 6.486 6.032 1.00 0.00 H new ATOM 957 N GLU A 64 -7.656 2.120 4.833 1.00 0.00 N ATOM 958 CA GLU A 64 -7.732 0.699 4.458 1.00 0.00 C ATOM 959 C GLU A 64 -6.332 0.165 4.120 1.00 0.00 C ATOM 960 O GLU A 64 -6.044 -0.994 4.373 1.00 0.00 O ATOM 961 CB GLU A 64 -8.699 0.486 3.258 1.00 0.00 C ATOM 962 CG GLU A 64 -8.969 -1.004 2.937 1.00 0.00 C ATOM 963 CD GLU A 64 -9.875 -1.230 1.723 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.090 -0.967 1.829 1.00 0.00 O ATOM 965 OE2 GLU A 64 -9.389 -1.686 0.666 1.00 0.00 O ATOM 0 H GLU A 64 -8.017 2.752 4.118 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.126 0.143 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.646 0.980 3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.281 0.969 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.017 -1.505 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.424 -1.475 3.808 1.00 0.00 H new ATOM 972 N LEU A 65 -5.470 1.038 3.560 1.00 0.00 N ATOM 973 CA LEU A 65 -4.095 0.680 3.159 1.00 0.00 C ATOM 974 C LEU A 65 -3.257 0.312 4.395 1.00 0.00 C ATOM 975 O LEU A 65 -2.573 -0.700 4.394 1.00 0.00 O ATOM 976 CB LEU A 65 -3.424 1.849 2.385 1.00 0.00 C ATOM 977 CG LEU A 65 -1.987 1.576 1.826 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.989 0.448 0.762 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.354 2.868 1.264 1.00 0.00 C ATOM 0 H LEU A 65 -5.708 2.012 3.373 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.147 -0.185 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.070 2.122 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.375 2.714 3.046 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.374 1.235 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.974 0.289 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.363 -0.473 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.632 0.734 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.357 2.649 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.974 3.255 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.284 3.613 2.056 1.00 0.00 H new ATOM 991 N SER A 66 -3.354 1.145 5.447 1.00 0.00 N ATOM 992 CA SER A 66 -2.643 0.938 6.723 1.00 0.00 C ATOM 993 C SER A 66 -3.237 -0.262 7.502 1.00 0.00 C ATOM 994 O SER A 66 -2.517 -0.943 8.246 1.00 0.00 O ATOM 995 CB SER A 66 -2.704 2.232 7.565 1.00 0.00 C ATOM 996 OG SER A 66 -4.035 2.702 7.679 1.00 0.00 O ATOM 0 H SER A 66 -3.931 1.986 5.436 1.00 0.00 H new ATOM 0 HA SER A 66 -1.600 0.704 6.512 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.295 2.044 8.558 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.082 2.999 7.104 1.00 0.00 H new ATOM 0 HG SER A 66 -4.253 3.259 6.902 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.556 -0.504 7.319 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.261 -1.681 7.877 1.00 0.00 C ATOM 1004 C LEU A 67 -4.749 -2.970 7.186 1.00 0.00 C ATOM 1005 O LEU A 67 -4.577 -4.015 7.831 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.808 -1.470 7.708 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.796 -2.524 8.348 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.967 -3.797 7.474 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -7.380 -2.887 9.799 1.00 0.00 C ATOM 0 H LEU A 67 -5.162 0.113 6.779 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.056 -1.792 8.942 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.055 -0.493 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.020 -1.426 6.640 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.773 -2.042 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.656 -4.485 7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.365 -3.518 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.000 -4.283 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.082 -3.614 10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.377 -3.314 9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.389 -1.988 10.416 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.512 -2.871 5.867 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.917 -3.953 5.064 1.00 0.00 C ATOM 1023 C LYS A 68 -2.470 -4.183 5.508 1.00 0.00 C ATOM 1024 O LYS A 68 -2.076 -5.311 5.714 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.002 -3.640 3.525 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.184 -4.304 2.768 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.575 -3.924 3.318 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.725 -4.576 2.531 1.00 0.00 C ATOM 1029 NZ LYS A 68 -7.688 -6.057 2.609 1.00 0.00 N ATOM 0 H LYS A 68 -4.729 -2.034 5.325 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.486 -4.868 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.073 -2.560 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.070 -3.957 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.132 -4.023 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.070 -5.387 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.641 -4.223 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.689 -2.840 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.678 -4.217 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.670 -4.267 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.543 -6.449 2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.847 -6.410 2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.648 -6.351 3.606 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.713 -3.084 5.710 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.296 -3.155 6.114 1.00 0.00 C ATOM 1045 C LEU A 69 -0.144 -3.794 7.504 1.00 0.00 C ATOM 1046 O LEU A 69 0.894 -4.364 7.791 1.00 0.00 O ATOM 1047 CB LEU A 69 0.372 -1.754 6.072 1.00 0.00 C ATOM 1048 CG LEU A 69 0.576 -1.122 4.656 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.198 0.293 4.751 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.412 -2.047 3.736 1.00 0.00 C ATOM 0 H LEU A 69 -2.064 -2.133 5.599 1.00 0.00 H new ATOM 0 HA LEU A 69 0.218 -3.793 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.232 -1.070 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.345 -1.825 6.558 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.410 -1.016 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.326 0.702 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.539 0.942 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.168 0.232 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.534 -1.576 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.392 -2.215 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.899 -3.001 3.617 1.00 0.00 H new ATOM 1062 N ARG A 70 -1.190 -3.672 8.351 1.00 0.00 N ATOM 1063 CA ARG A 70 -1.290 -4.404 9.636 1.00 0.00 C ATOM 1064 C ARG A 70 -1.254 -5.931 9.384 1.00 0.00 C ATOM 1065 O ARG A 70 -0.487 -6.663 10.017 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.605 -3.998 10.413 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.389 -3.076 11.634 1.00 0.00 C ATOM 1068 CD ARG A 70 -1.694 -3.803 12.811 1.00 0.00 C ATOM 1069 NE ARG A 70 -1.190 -2.859 13.834 1.00 0.00 N ATOM 1070 CZ ARG A 70 -1.765 -2.575 15.013 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -2.897 -3.154 15.385 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -1.173 -1.708 15.829 1.00 0.00 N ATOM 0 H ARG A 70 -1.988 -3.065 8.165 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.436 -4.132 10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.280 -3.500 9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.105 -4.907 10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.787 -2.218 11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.352 -2.689 11.968 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.397 -4.496 13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.865 -4.398 12.429 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.317 -2.375 13.621 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.349 -3.831 14.771 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.316 -2.923 16.286 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.294 -1.269 15.556 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.598 -1.482 16.728 1.00 0.00 H new ATOM 1086 N LYS A 71 -2.096 -6.374 8.440 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.280 -7.800 8.107 1.00 0.00 C ATOM 1088 C LYS A 71 -1.055 -8.365 7.353 1.00 0.00 C ATOM 1089 O LYS A 71 -0.574 -9.463 7.653 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.573 -7.971 7.249 1.00 0.00 C ATOM 1091 CG LYS A 71 -3.953 -9.423 6.826 1.00 0.00 C ATOM 1092 CD LYS A 71 -4.503 -10.318 7.980 1.00 0.00 C ATOM 1093 CE LYS A 71 -3.417 -10.922 8.889 1.00 0.00 C ATOM 1094 NZ LYS A 71 -3.998 -11.736 9.992 1.00 0.00 N ATOM 0 H LYS A 71 -2.675 -5.750 7.879 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.382 -8.362 9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.409 -7.551 7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.462 -7.373 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.702 -9.372 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.073 -9.904 6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.183 -9.724 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.089 -11.128 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.750 -11.545 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.811 -10.120 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.231 -12.123 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.614 -11.137 10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.555 -12.517 9.591 1.00 0.00 H new ATOM 1108 N GLU A 72 -0.553 -7.580 6.394 1.00 0.00 N ATOM 1109 CA GLU A 72 0.441 -8.030 5.409 1.00 0.00 C ATOM 1110 C GLU A 72 1.866 -7.968 5.991 1.00 0.00 C ATOM 1111 O GLU A 72 2.609 -8.950 5.929 1.00 0.00 O ATOM 1112 CB GLU A 72 0.335 -7.145 4.129 1.00 0.00 C ATOM 1113 CG GLU A 72 -1.050 -7.113 3.444 1.00 0.00 C ATOM 1114 CD GLU A 72 -1.530 -8.478 2.941 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -1.170 -8.863 1.811 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -2.284 -9.172 3.666 1.00 0.00 O ATOM 0 H GLU A 72 -0.827 -6.604 6.277 1.00 0.00 H new ATOM 0 HA GLU A 72 0.235 -9.069 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.612 -6.124 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.069 -7.498 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.783 -6.719 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.012 -6.421 2.603 1.00 0.00 H new ATOM 1123 N PHE A 73 2.249 -6.796 6.540 1.00 0.00 N ATOM 1124 CA PHE A 73 3.645 -6.529 6.972 1.00 0.00 C ATOM 1125 C PHE A 73 3.737 -6.056 8.444 1.00 0.00 C ATOM 1126 O PHE A 73 4.836 -5.777 8.925 1.00 0.00 O ATOM 1127 CB PHE A 73 4.299 -5.477 6.031 1.00 0.00 C ATOM 1128 CG PHE A 73 4.326 -5.895 4.556 1.00 0.00 C ATOM 1129 CD1 PHE A 73 5.339 -6.717 4.061 1.00 0.00 C ATOM 1130 CD2 PHE A 73 3.333 -5.473 3.670 1.00 0.00 C ATOM 1131 CE1 PHE A 73 5.353 -7.107 2.735 1.00 0.00 C ATOM 1132 CE2 PHE A 73 3.348 -5.865 2.345 1.00 0.00 C ATOM 1133 CZ PHE A 73 4.362 -6.678 1.873 1.00 0.00 C ATOM 0 H PHE A 73 1.612 -6.015 6.697 1.00 0.00 H new ATOM 0 HA PHE A 73 4.186 -7.473 6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.757 -4.536 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.320 -5.290 6.364 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.123 -7.053 4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.541 -4.830 4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.141 -7.749 2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.566 -5.536 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.379 -6.976 0.835 1.00 0.00 H new ATOM 1143 N GLY A 74 2.593 -5.955 9.143 1.00 0.00 N ATOM 1144 CA GLY A 74 2.544 -5.471 10.539 1.00 0.00 C ATOM 1145 C GLY A 74 2.832 -3.971 10.691 1.00 0.00 C ATOM 1146 O GLY A 74 2.916 -3.473 11.820 1.00 0.00 O ATOM 0 H GLY A 74 1.680 -6.204 8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.558 -5.685 10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.267 -6.031 11.132 1.00 0.00 H new ATOM 1150 N VAL A 75 2.957 -3.259 9.551 1.00 0.00 N ATOM 1151 CA VAL A 75 3.361 -1.841 9.500 1.00 0.00 C ATOM 1152 C VAL A 75 2.161 -0.920 9.817 1.00 0.00 C ATOM 1153 O VAL A 75 1.110 -1.013 9.169 1.00 0.00 O ATOM 1154 CB VAL A 75 3.967 -1.484 8.083 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.335 0.012 7.968 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.195 -2.376 7.769 1.00 0.00 C ATOM 0 H VAL A 75 2.778 -3.659 8.630 1.00 0.00 H new ATOM 0 HA VAL A 75 4.130 -1.680 10.256 1.00 0.00 H new ATOM 0 HB VAL A 75 3.192 -1.684 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.747 0.210 6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.442 0.619 8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.076 0.264 8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.595 -2.113 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.962 -2.220 8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.893 -3.423 7.768 1.00 0.00 H new ATOM 1166 N THR A 76 2.324 -0.047 10.835 1.00 0.00 N ATOM 1167 CA THR A 76 1.260 0.871 11.311 1.00 0.00 C ATOM 1168 C THR A 76 1.894 2.168 11.856 1.00 0.00 C ATOM 1169 O THR A 76 3.060 2.170 12.266 1.00 0.00 O ATOM 1170 CB THR A 76 0.395 0.182 12.423 1.00 0.00 C ATOM 1171 OG1 THR A 76 0.052 -1.135 12.002 1.00 0.00 O ATOM 1172 CG2 THR A 76 -0.910 0.942 12.735 1.00 0.00 C ATOM 0 H THR A 76 3.198 0.043 11.353 1.00 0.00 H new ATOM 0 HA THR A 76 0.608 1.117 10.473 1.00 0.00 H new ATOM 0 HB THR A 76 1.000 0.173 13.330 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.811 -1.736 12.156 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.462 0.413 13.512 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.672 1.948 13.080 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.520 1.002 11.834 1.00 0.00 H new ATOM 1180 N GLY A 77 1.112 3.266 11.851 1.00 0.00 N ATOM 1181 CA GLY A 77 1.592 4.584 12.276 1.00 0.00 C ATOM 1182 C GLY A 77 2.084 5.428 11.111 1.00 0.00 C ATOM 1183 O GLY A 77 2.162 6.655 11.209 1.00 0.00 O ATOM 0 H GLY A 77 0.137 3.258 11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.788 5.112 12.789 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.401 4.458 12.996 1.00 0.00 H new ATOM 1187 N VAL A 78 2.367 4.755 9.983 1.00 0.00 N ATOM 1188 CA VAL A 78 2.883 5.372 8.750 1.00 0.00 C ATOM 1189 C VAL A 78 1.766 6.043 7.924 1.00 0.00 C ATOM 1190 O VAL A 78 2.030 6.483 6.817 1.00 0.00 O ATOM 1191 CB VAL A 78 3.616 4.292 7.862 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.800 3.666 8.621 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.634 3.202 7.359 1.00 0.00 C ATOM 0 H VAL A 78 2.241 3.746 9.902 1.00 0.00 H new ATOM 0 HA VAL A 78 3.589 6.146 9.051 1.00 0.00 H new ATOM 0 HB VAL A 78 4.010 4.803 6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.288 2.925 7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.515 4.445 8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.436 3.184 9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.175 2.477 6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.184 2.696 8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.852 3.666 6.759 1.00 0.00 H new ATOM 1203 N ASP A 79 0.546 6.137 8.491 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.660 6.681 7.818 1.00 0.00 C ATOM 1205 C ASP A 79 -0.407 8.081 7.210 1.00 0.00 C ATOM 1206 O ASP A 79 -0.859 8.386 6.098 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.821 6.728 8.842 1.00 0.00 C ATOM 1208 CG ASP A 79 -3.159 7.180 8.239 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -3.915 6.320 7.726 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.472 8.390 8.283 1.00 0.00 O ATOM 0 H ASP A 79 0.364 5.832 9.447 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.921 6.026 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.947 5.738 9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.551 7.405 9.653 1.00 0.00 H new ATOM 1215 N ASP A 80 0.335 8.906 7.970 1.00 0.00 N ATOM 1216 CA ASP A 80 0.750 10.268 7.557 1.00 0.00 C ATOM 1217 C ASP A 80 1.695 10.185 6.353 1.00 0.00 C ATOM 1218 O ASP A 80 1.543 10.903 5.374 1.00 0.00 O ATOM 1219 CB ASP A 80 1.482 10.997 8.718 1.00 0.00 C ATOM 1220 CG ASP A 80 0.722 10.953 10.046 1.00 0.00 C ATOM 1221 OD1 ASP A 80 0.700 9.881 10.690 1.00 0.00 O ATOM 1222 OD2 ASP A 80 0.161 11.992 10.473 1.00 0.00 O ATOM 0 H ASP A 80 0.669 8.648 8.898 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.147 10.827 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.465 10.546 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.645 12.037 8.437 1.00 0.00 H new ATOM 1227 N GLU A 81 2.669 9.273 6.462 1.00 0.00 N ATOM 1228 CA GLU A 81 3.726 9.070 5.460 1.00 0.00 C ATOM 1229 C GLU A 81 3.145 8.474 4.150 1.00 0.00 C ATOM 1230 O GLU A 81 3.663 8.736 3.063 1.00 0.00 O ATOM 1231 CB GLU A 81 4.819 8.167 6.083 1.00 0.00 C ATOM 1232 CG GLU A 81 6.093 7.971 5.237 1.00 0.00 C ATOM 1233 CD GLU A 81 7.186 7.178 5.981 1.00 0.00 C ATOM 1234 OE1 GLU A 81 6.893 6.069 6.485 1.00 0.00 O ATOM 1235 OE2 GLU A 81 8.337 7.656 6.074 1.00 0.00 O ATOM 0 H GLU A 81 2.747 8.644 7.262 1.00 0.00 H new ATOM 0 HA GLU A 81 4.172 10.025 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.107 8.589 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.384 7.188 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.835 7.449 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.488 8.946 4.952 1.00 0.00 H new ATOM 1242 N LEU A 82 2.035 7.707 4.282 1.00 0.00 N ATOM 1243 CA LEU A 82 1.273 7.145 3.142 1.00 0.00 C ATOM 1244 C LEU A 82 0.557 8.273 2.389 1.00 0.00 C ATOM 1245 O LEU A 82 0.456 8.255 1.159 1.00 0.00 O ATOM 1246 CB LEU A 82 0.229 6.097 3.632 1.00 0.00 C ATOM 1247 CG LEU A 82 0.787 4.814 4.323 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.356 3.945 4.900 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.677 3.992 3.362 1.00 0.00 C ATOM 0 H LEU A 82 1.641 7.460 5.190 1.00 0.00 H new ATOM 0 HA LEU A 82 1.975 6.646 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.446 6.592 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.369 5.788 2.775 1.00 0.00 H new ATOM 0 HG LEU A 82 1.413 5.140 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.065 3.059 5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.914 4.521 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.025 3.642 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.048 3.106 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.092 3.688 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.520 4.601 3.036 1.00 0.00 H new ATOM 1261 N ASP A 83 0.062 9.245 3.172 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.570 10.480 2.667 1.00 0.00 C ATOM 1263 C ASP A 83 0.443 11.350 1.889 1.00 0.00 C ATOM 1264 O ASP A 83 0.070 12.040 0.939 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.209 11.254 3.863 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.595 12.710 3.551 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -2.618 12.938 2.870 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.871 13.634 3.971 1.00 0.00 O ATOM 0 H ASP A 83 0.089 9.196 4.190 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.358 10.220 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.100 10.718 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.508 11.249 4.698 1.00 0.00 H new ATOM 1273 N LEU A 84 1.722 11.302 2.303 1.00 0.00 N ATOM 1274 CA LEU A 84 2.816 12.048 1.638 1.00 0.00 C ATOM 1275 C LEU A 84 3.313 11.349 0.345 1.00 0.00 C ATOM 1276 O LEU A 84 4.003 11.984 -0.463 1.00 0.00 O ATOM 1277 CB LEU A 84 4.004 12.307 2.628 1.00 0.00 C ATOM 1278 CG LEU A 84 3.934 13.630 3.474 1.00 0.00 C ATOM 1279 CD1 LEU A 84 3.921 14.876 2.553 1.00 0.00 C ATOM 1280 CD2 LEU A 84 2.725 13.640 4.436 1.00 0.00 C ATOM 0 H LEU A 84 2.030 10.749 3.103 1.00 0.00 H new ATOM 0 HA LEU A 84 2.402 13.010 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.065 11.464 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.931 12.317 2.054 1.00 0.00 H new ATOM 0 HG LEU A 84 4.833 13.667 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.872 15.778 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.830 14.893 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.052 14.834 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.717 14.573 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.802 13.555 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.802 12.800 5.126 1.00 0.00 H new ATOM 1292 N LEU A 85 2.978 10.054 0.163 1.00 0.00 N ATOM 1293 CA LEU A 85 3.320 9.307 -1.070 1.00 0.00 C ATOM 1294 C LEU A 85 2.470 9.813 -2.252 1.00 0.00 C ATOM 1295 O LEU A 85 1.268 10.046 -2.101 1.00 0.00 O ATOM 1296 CB LEU A 85 3.089 7.786 -0.875 1.00 0.00 C ATOM 1297 CG LEU A 85 3.917 7.096 0.244 1.00 0.00 C ATOM 1298 CD1 LEU A 85 3.510 5.619 0.388 1.00 0.00 C ATOM 1299 CD2 LEU A 85 5.437 7.240 0.004 1.00 0.00 C ATOM 0 H LEU A 85 2.470 9.502 0.854 1.00 0.00 H new ATOM 0 HA LEU A 85 4.375 9.475 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.032 7.626 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.306 7.284 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 85 3.694 7.603 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.101 5.154 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.452 5.556 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.688 5.099 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.981 6.744 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.700 6.781 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.704 8.297 -0.017 1.00 0.00 H new ATOM 1311 N GLU A 86 3.104 9.957 -3.423 1.00 0.00 N ATOM 1312 CA GLU A 86 2.450 10.445 -4.646 1.00 0.00 C ATOM 1313 C GLU A 86 2.669 9.434 -5.787 1.00 0.00 C ATOM 1314 O GLU A 86 2.022 9.519 -6.829 1.00 0.00 O ATOM 1315 CB GLU A 86 3.010 11.845 -5.037 1.00 0.00 C ATOM 1316 CG GLU A 86 2.235 12.558 -6.172 1.00 0.00 C ATOM 1317 CD GLU A 86 2.881 13.879 -6.596 1.00 0.00 C ATOM 1318 OE1 GLU A 86 2.763 14.871 -5.851 1.00 0.00 O ATOM 1319 OE2 GLU A 86 3.516 13.933 -7.674 1.00 0.00 O ATOM 0 H GLU A 86 4.092 9.737 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 86 1.380 10.546 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.003 12.484 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.051 11.733 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.174 11.896 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.213 12.748 -5.844 1.00 0.00 H new ATOM 1326 N THR A 87 3.570 8.460 -5.575 1.00 0.00 N ATOM 1327 CA THR A 87 3.960 7.493 -6.605 1.00 0.00 C ATOM 1328 C THR A 87 4.014 6.078 -6.004 1.00 0.00 C ATOM 1329 O THR A 87 4.392 5.888 -4.829 1.00 0.00 O ATOM 1330 CB THR A 87 5.354 7.862 -7.223 1.00 0.00 C ATOM 1331 OG1 THR A 87 5.469 9.289 -7.341 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.550 7.241 -8.609 1.00 0.00 C ATOM 0 H THR A 87 4.046 8.324 -4.683 1.00 0.00 H new ATOM 0 HA THR A 87 3.214 7.521 -7.399 1.00 0.00 H new ATOM 0 HB THR A 87 6.119 7.465 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.634 9.678 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.528 7.523 -8.999 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.488 6.155 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.773 7.602 -9.283 1.00 0.00 H new ATOM 1340 N VAL A 88 3.672 5.095 -6.842 1.00 0.00 N ATOM 1341 CA VAL A 88 3.552 3.689 -6.435 1.00 0.00 C ATOM 1342 C VAL A 88 4.953 3.076 -6.207 1.00 0.00 C ATOM 1343 O VAL A 88 5.109 2.204 -5.349 1.00 0.00 O ATOM 1344 CB VAL A 88 2.718 2.881 -7.500 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.518 1.404 -7.097 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.353 3.559 -7.771 1.00 0.00 C ATOM 0 H VAL A 88 3.469 5.252 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 88 3.014 3.633 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 88 3.301 2.888 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.937 0.893 -7.865 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.489 0.920 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.986 1.355 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.799 2.980 -8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.781 3.608 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.517 4.568 -8.150 1.00 0.00 H new ATOM 1356 N ASP A 89 5.968 3.579 -6.958 1.00 0.00 N ATOM 1357 CA ASP A 89 7.398 3.238 -6.718 1.00 0.00 C ATOM 1358 C ASP A 89 7.769 3.484 -5.249 1.00 0.00 C ATOM 1359 O ASP A 89 8.342 2.618 -4.592 1.00 0.00 O ATOM 1360 CB ASP A 89 8.352 4.102 -7.588 1.00 0.00 C ATOM 1361 CG ASP A 89 8.164 3.922 -9.094 1.00 0.00 C ATOM 1362 OD1 ASP A 89 8.556 2.866 -9.624 1.00 0.00 O ATOM 1363 OD2 ASP A 89 7.641 4.841 -9.759 1.00 0.00 O ATOM 0 H ASP A 89 5.823 4.223 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 89 7.514 2.186 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.202 5.152 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.382 3.857 -7.330 1.00 0.00 H new ATOM 1368 N GLU A 90 7.398 4.689 -4.767 1.00 0.00 N ATOM 1369 CA GLU A 90 7.716 5.155 -3.413 1.00 0.00 C ATOM 1370 C GLU A 90 7.092 4.236 -2.359 1.00 0.00 C ATOM 1371 O GLU A 90 7.724 3.953 -1.348 1.00 0.00 O ATOM 1372 CB GLU A 90 7.210 6.604 -3.206 1.00 0.00 C ATOM 1373 CG GLU A 90 7.752 7.632 -4.218 1.00 0.00 C ATOM 1374 CD GLU A 90 7.216 9.058 -3.977 1.00 0.00 C ATOM 1375 OE1 GLU A 90 5.998 9.279 -4.145 1.00 0.00 O ATOM 1376 OE2 GLU A 90 8.000 9.962 -3.635 1.00 0.00 O ATOM 0 H GLU A 90 6.866 5.365 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 90 8.800 5.135 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.121 6.604 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.481 6.928 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.841 7.646 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.486 7.316 -5.226 1.00 0.00 H new ATOM 1383 N LEU A 91 5.840 3.785 -2.614 1.00 0.00 N ATOM 1384 CA LEU A 91 5.134 2.839 -1.720 1.00 0.00 C ATOM 1385 C LEU A 91 5.862 1.493 -1.627 1.00 0.00 C ATOM 1386 O LEU A 91 6.076 0.989 -0.528 1.00 0.00 O ATOM 1387 CB LEU A 91 3.678 2.614 -2.183 1.00 0.00 C ATOM 1388 CG LEU A 91 2.815 1.632 -1.315 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.692 2.095 0.156 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.428 1.426 -1.935 1.00 0.00 C ATOM 0 H LEU A 91 5.299 4.062 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 91 5.124 3.292 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.174 3.580 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.699 2.238 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 91 3.340 0.677 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.085 1.381 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.684 2.154 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.219 3.077 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.850 0.741 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.911 2.384 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.535 1.006 -2.935 1.00 0.00 H new ATOM 1402 N PHE A 92 6.230 0.923 -2.790 1.00 0.00 N ATOM 1403 CA PHE A 92 6.947 -0.374 -2.861 1.00 0.00 C ATOM 1404 C PHE A 92 8.270 -0.307 -2.080 1.00 0.00 C ATOM 1405 O PHE A 92 8.634 -1.263 -1.396 1.00 0.00 O ATOM 1406 CB PHE A 92 7.192 -0.801 -4.341 1.00 0.00 C ATOM 1407 CG PHE A 92 6.008 -1.516 -5.009 1.00 0.00 C ATOM 1408 CD1 PHE A 92 4.778 -0.884 -5.158 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.125 -2.830 -5.474 1.00 0.00 C ATOM 1410 CE1 PHE A 92 3.716 -1.527 -5.758 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.056 -3.469 -6.074 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.849 -2.818 -6.212 1.00 0.00 C ATOM 0 H PHE A 92 6.043 1.340 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 92 6.317 -1.133 -2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.439 0.086 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.061 -1.457 -4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.653 0.126 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.064 -3.353 -5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.773 -1.013 -5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.167 -4.481 -6.435 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.012 -3.320 -6.674 1.00 0.00 H new ATOM 1422 N GLN A 93 8.961 0.845 -2.181 1.00 0.00 N ATOM 1423 CA GLN A 93 10.251 1.073 -1.503 1.00 0.00 C ATOM 1424 C GLN A 93 10.056 1.372 -0.013 1.00 0.00 C ATOM 1425 O GLN A 93 10.906 1.024 0.797 1.00 0.00 O ATOM 1426 CB GLN A 93 11.041 2.223 -2.189 1.00 0.00 C ATOM 1427 CG GLN A 93 11.405 1.974 -3.671 1.00 0.00 C ATOM 1428 CD GLN A 93 12.005 0.587 -3.929 1.00 0.00 C ATOM 1429 OE1 GLN A 93 11.293 -0.360 -4.285 1.00 0.00 O ATOM 1430 NE2 GLN A 93 13.300 0.446 -3.716 1.00 0.00 N ATOM 0 H GLN A 93 8.642 1.641 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 93 10.832 0.155 -1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.451 3.137 -2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.960 2.396 -1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.510 2.093 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.116 2.734 -3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.859 1.247 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.742 -0.464 -3.844 1.00 0.00 H new ATOM 1439 N LEU A 94 8.926 2.018 0.328 1.00 0.00 N ATOM 1440 CA LEU A 94 8.612 2.417 1.709 1.00 0.00 C ATOM 1441 C LEU A 94 8.277 1.180 2.546 1.00 0.00 C ATOM 1442 O LEU A 94 8.890 0.935 3.585 1.00 0.00 O ATOM 1443 CB LEU A 94 7.425 3.419 1.748 1.00 0.00 C ATOM 1444 CG LEU A 94 7.150 4.054 3.140 1.00 0.00 C ATOM 1445 CD1 LEU A 94 8.354 4.913 3.597 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.832 4.857 3.148 1.00 0.00 C ATOM 0 H LEU A 94 8.206 2.277 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 94 9.489 2.912 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.619 4.218 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.523 2.905 1.415 1.00 0.00 H new ATOM 0 HG LEU A 94 7.028 3.246 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.141 5.348 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.243 4.286 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.527 5.710 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.673 5.286 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.889 5.657 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.001 4.195 2.902 1.00 0.00 H new ATOM 1458 N VAL A 95 7.289 0.417 2.053 1.00 0.00 N ATOM 1459 CA VAL A 95 6.840 -0.850 2.648 1.00 0.00 C ATOM 1460 C VAL A 95 8.019 -1.813 2.821 1.00 0.00 C ATOM 1461 O VAL A 95 8.159 -2.433 3.874 1.00 0.00 O ATOM 1462 CB VAL A 95 5.705 -1.505 1.764 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.385 -2.950 2.203 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.425 -0.633 1.788 1.00 0.00 C ATOM 0 H VAL A 95 6.770 0.669 1.212 1.00 0.00 H new ATOM 0 HA VAL A 95 6.426 -0.640 3.634 1.00 0.00 H new ATOM 0 HB VAL A 95 6.080 -1.554 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.600 -3.358 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.281 -3.564 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.048 -2.949 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.655 -1.100 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.066 -0.542 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.652 0.358 1.394 1.00 0.00 H new ATOM 1474 N GLU A 96 8.871 -1.897 1.777 1.00 0.00 N ATOM 1475 CA GLU A 96 10.084 -2.731 1.792 1.00 0.00 C ATOM 1476 C GLU A 96 11.079 -2.250 2.861 1.00 0.00 C ATOM 1477 O GLU A 96 11.670 -3.059 3.562 1.00 0.00 O ATOM 1478 CB GLU A 96 10.758 -2.737 0.391 1.00 0.00 C ATOM 1479 CG GLU A 96 12.001 -3.643 0.277 1.00 0.00 C ATOM 1480 CD GLU A 96 11.703 -5.114 0.631 1.00 0.00 C ATOM 1481 OE1 GLU A 96 11.209 -5.854 -0.240 1.00 0.00 O ATOM 1482 OE2 GLU A 96 11.961 -5.536 1.779 1.00 0.00 O ATOM 0 H GLU A 96 8.735 -1.388 0.903 1.00 0.00 H new ATOM 0 HA GLU A 96 9.786 -3.749 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.024 -3.056 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.045 -1.717 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.391 -3.591 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.782 -3.266 0.938 1.00 0.00 H new ATOM 1489 N LYS A 97 11.230 -0.927 2.988 1.00 0.00 N ATOM 1490 CA LYS A 97 12.185 -0.307 3.935 1.00 0.00 C ATOM 1491 C LYS A 97 11.726 -0.508 5.401 1.00 0.00 C ATOM 1492 O LYS A 97 12.553 -0.588 6.311 1.00 0.00 O ATOM 1493 CB LYS A 97 12.343 1.199 3.589 1.00 0.00 C ATOM 1494 CG LYS A 97 13.452 1.945 4.365 1.00 0.00 C ATOM 1495 CD LYS A 97 13.591 3.416 3.909 1.00 0.00 C ATOM 1496 CE LYS A 97 14.684 4.175 4.673 1.00 0.00 C ATOM 1497 NZ LYS A 97 14.827 5.581 4.202 1.00 0.00 N ATOM 0 H LYS A 97 10.698 -0.250 2.441 1.00 0.00 H new ATOM 0 HA LYS A 97 13.155 -0.794 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.546 1.290 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.393 1.699 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.230 1.916 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.402 1.430 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.815 3.441 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.637 3.926 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.449 4.172 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.635 3.656 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.576 6.055 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.077 5.585 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.928 6.086 4.338 1.00 0.00 H new ATOM 1511 N HIS A 98 10.395 -0.602 5.600 1.00 0.00 N ATOM 1512 CA HIS A 98 9.780 -0.886 6.919 1.00 0.00 C ATOM 1513 C HIS A 98 9.872 -2.394 7.260 1.00 0.00 C ATOM 1514 O HIS A 98 10.076 -2.769 8.424 1.00 0.00 O ATOM 1515 CB HIS A 98 8.294 -0.430 6.943 1.00 0.00 C ATOM 1516 CG HIS A 98 8.094 1.066 7.007 1.00 0.00 C ATOM 1517 ND1 HIS A 98 8.485 1.825 8.083 1.00 0.00 N ATOM 1518 CD2 HIS A 98 7.548 1.940 6.128 1.00 0.00 C ATOM 1519 CE1 HIS A 98 8.183 3.085 7.871 1.00 0.00 C ATOM 1520 NE2 HIS A 98 7.615 3.187 6.693 1.00 0.00 N ATOM 0 H HIS A 98 9.713 -0.483 4.851 1.00 0.00 H new ATOM 0 HA HIS A 98 10.334 -0.324 7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.797 -0.812 6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 98 7.802 -0.886 7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.135 1.699 5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.371 3.901 8.553 1.00 0.00 H new ATOM 0 HE2 HIS A 98 7.279 4.051 6.268 1.00 0.00 H new ATOM 1529 N ARG A 99 9.715 -3.232 6.221 1.00 0.00 N ATOM 1530 CA ARG A 99 9.685 -4.708 6.331 1.00 0.00 C ATOM 1531 C ARG A 99 11.110 -5.275 6.519 1.00 0.00 C ATOM 1532 O ARG A 99 11.311 -6.245 7.265 1.00 0.00 O ATOM 1533 CB ARG A 99 8.964 -5.286 5.064 1.00 0.00 C ATOM 1534 CG ARG A 99 9.017 -6.830 4.831 1.00 0.00 C ATOM 1535 CD ARG A 99 10.226 -7.275 3.978 1.00 0.00 C ATOM 1536 NE ARG A 99 10.131 -8.686 3.551 1.00 0.00 N ATOM 1537 CZ ARG A 99 10.380 -9.139 2.303 1.00 0.00 C ATOM 1538 NH1 ARG A 99 10.765 -8.313 1.338 1.00 0.00 N ATOM 1539 NH2 ARG A 99 10.266 -10.430 2.036 1.00 0.00 N ATOM 0 H ARG A 99 9.603 -2.901 5.263 1.00 0.00 H new ATOM 0 HA ARG A 99 9.124 -5.012 7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.916 -4.991 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.391 -4.801 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 99 9.055 -7.336 5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.097 -7.149 4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 99 10.299 -6.637 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.142 -7.134 4.551 1.00 0.00 H new ATOM 0 HE ARG A 99 9.856 -9.372 4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.877 -7.318 1.533 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.949 -8.673 0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.991 -11.081 2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.453 -10.775 1.094 1.00 0.00 H new ATOM 1553 N ALA A 100 12.084 -4.660 5.833 1.00 0.00 N ATOM 1554 CA ALA A 100 13.499 -5.072 5.880 1.00 0.00 C ATOM 1555 C ALA A 100 14.191 -4.428 7.090 1.00 0.00 C ATOM 1556 O ALA A 100 14.913 -5.108 7.827 1.00 0.00 O ATOM 1557 CB ALA A 100 14.213 -4.689 4.568 1.00 0.00 C ATOM 0 H ALA A 100 11.914 -3.858 5.226 1.00 0.00 H new ATOM 0 HA ALA A 100 13.552 -6.155 5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.257 -4.999 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.726 -5.187 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.162 -3.609 4.428 1.00 0.00 H new ATOM 1563 N ALA A 101 13.949 -3.107 7.263 1.00 0.00 N ATOM 1564 CA ALA A 101 14.431 -2.303 8.411 1.00 0.00 C ATOM 1565 C ALA A 101 15.983 -2.317 8.532 1.00 0.00 C ATOM 1566 O ALA A 101 16.687 -2.635 7.560 1.00 0.00 O ATOM 1567 CB ALA A 101 13.726 -2.766 9.706 1.00 0.00 C ATOM 0 H ALA A 101 13.403 -2.561 6.597 1.00 0.00 H new ATOM 0 HA ALA A 101 14.167 -1.260 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 101 14.084 -2.172 10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.649 -2.635 9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.947 -3.818 9.885 1.00 0.00 H new ATOM 1573 N GLY A 102 16.504 -1.905 9.705 1.00 0.00 N ATOM 1574 CA GLY A 102 17.945 -1.899 9.987 1.00 0.00 C ATOM 1575 C GLY A 102 18.434 -0.511 10.373 1.00 0.00 C ATOM 1576 O GLY A 102 18.816 -0.270 11.525 1.00 0.00 O ATOM 0 H GLY A 102 15.934 -1.568 10.481 1.00 0.00 H new ATOM 0 HA2 GLY A 102 18.161 -2.599 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 102 18.490 -2.246 9.109 1.00 0.00 H new ATOM 1580 N SER A 103 18.399 0.410 9.396 1.00 0.00 N ATOM 1581 CA SER A 103 18.832 1.807 9.570 1.00 0.00 C ATOM 1582 C SER A 103 17.939 2.733 8.704 1.00 0.00 C ATOM 1583 O SER A 103 17.033 3.388 9.263 1.00 0.00 O ATOM 1584 CB SER A 103 20.338 1.949 9.209 1.00 0.00 C ATOM 1585 OG SER A 103 21.148 1.129 10.044 1.00 0.00 O ATOM 1586 OXT SER A 103 18.109 2.762 7.460 1.00 0.00 O ATOM 0 H SER A 103 18.066 0.204 8.454 1.00 0.00 H new ATOM 0 HA SER A 103 18.719 2.105 10.612 1.00 0.00 H new ATOM 0 HB2 SER A 103 20.492 1.674 8.166 1.00 0.00 H new ATOM 0 HB3 SER A 103 20.643 2.990 9.312 1.00 0.00 H new ATOM 0 HG SER A 103 22.089 1.237 9.794 1.00 0.00 H new TER 1592 SER A 103