USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 992 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 125 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.1) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 HIS : no HD1:sc= 0.995 K(o=0.99,f=-9.5!) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 ASN : amide:sc= -1.56 K(o=0.88,f=-6.3!) USER MOD Set 3.2: A 34 SER OG : rot -61:sc= 1.27 USER MOD Set 3.3: A 62 SER OG : rot -152:sc= 1.17 USER MOD Single : A 1 MET CE :methyl -179:sc=-0.00805 (180deg=-0.0128) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 2.46 (180deg=2.46) USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= 1.3 (180deg=1.14) USER MOD Single : A 5 MET CE :methyl -107:sc= -1.48 (180deg=-5.52!) USER MOD Single : A 8 SER OG : rot 122:sc= 0.388 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 170:sc= -0.0326 USER MOD Single : A 13 SER OG : rot -22:sc= 0.732 USER MOD Single : A 15 SER OG : rot -70:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.389 K(o=0.39,f=-4.3!) USER MOD Single : A 17 MET CE :methyl -122:sc= -0.152 (180deg=-0.32) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -73:sc= 0.193 USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.834) USER MOD Single : A 33 THR OG1 : rot 75:sc= 0.48 USER MOD Single : A 35 SER OG : rot 90:sc= -0.0845 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.226 USER MOD Single : A 49 MET CE :methyl 174:sc= -0.733 (180deg=-0.874) USER MOD Single : A 50 MET CE :methyl -153:sc= -1.21 (180deg=-3.91!) USER MOD Single : A 58 SER OG : rot -95:sc= 1.07 USER MOD Single : A 60 GLN : amide:sc= -0.761 X(o=-0.76,f=-0.34) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.611 K(o=0.61,f=-0.028) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -120:sc= 1.19 USER MOD Single : A 85 ASN : amide:sc= -0.0215 K(o=-0.021,f=-0.63) USER MOD Single : A 92 THR OG1 : rot -72:sc= 1.21 USER MOD Single : A 93 GLN : amide:sc= 0.89 K(o=0.89,f=-0.3) USER MOD Single : A 100 GLN : amide:sc= 0.942 K(o=0.94,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 118 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.087) USER MOD Single : A 120 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.24) USER MOD Single : A 131 SER OG : rot 74:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.039 0.306 0.178 1.00 0.00 N ATOM 2 CA MET A 1 1.833 0.250 -1.097 1.00 0.00 C ATOM 3 C MET A 1 2.290 -1.186 -1.409 1.00 0.00 C ATOM 4 O MET A 1 2.883 -1.837 -0.552 1.00 0.00 O ATOM 5 CB MET A 1 3.033 1.232 -1.055 1.00 0.00 C ATOM 6 CG MET A 1 3.826 1.344 -2.366 1.00 0.00 C ATOM 7 SD MET A 1 4.992 2.741 -2.443 1.00 0.00 S ATOM 8 CE MET A 1 6.139 2.358 -1.092 1.00 0.00 C ATOM 0 H1 MET A 1 0.745 1.287 0.361 1.00 0.00 H new ATOM 0 H2 MET A 1 0.196 -0.297 0.089 1.00 0.00 H new ATOM 0 H3 MET A 1 1.625 -0.033 0.967 1.00 0.00 H new ATOM 0 HA MET A 1 1.178 0.567 -1.909 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.664 2.222 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.712 0.918 -0.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.381 0.418 -2.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.121 1.432 -3.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.891 3.144 -1.019 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.588 2.295 -0.154 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.628 1.404 -1.290 1.00 0.00 H new ATOM 20 N LYS A 2 2.065 -1.684 -2.639 1.00 0.00 N ATOM 21 CA LYS A 2 2.464 -3.046 -3.070 1.00 0.00 C ATOM 22 C LYS A 2 3.895 -3.041 -3.629 1.00 0.00 C ATOM 23 O LYS A 2 4.105 -2.675 -4.780 1.00 0.00 O ATOM 24 CB LYS A 2 1.454 -3.580 -4.118 1.00 0.00 C ATOM 25 CG LYS A 2 -0.032 -3.508 -3.717 1.00 0.00 C ATOM 26 CD LYS A 2 -0.434 -4.421 -2.548 1.00 0.00 C ATOM 27 CE LYS A 2 -0.509 -5.893 -2.978 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.865 -6.763 -1.825 1.00 0.00 N ATOM 0 H LYS A 2 1.597 -1.151 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 2 2.451 -3.711 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.589 -3.019 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.702 -4.619 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.272 -2.478 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.640 -3.765 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.288 -4.315 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.401 -4.106 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.250 -6.008 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.450 -6.205 -3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.910 -7.754 -2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.143 -6.667 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.791 -6.477 -1.447 1.00 0.00 H new ATOM 42 N LYS A 3 4.892 -3.413 -2.818 1.00 0.00 N ATOM 43 CA LYS A 3 6.311 -3.425 -3.241 1.00 0.00 C ATOM 44 C LYS A 3 6.632 -4.696 -4.033 1.00 0.00 C ATOM 45 O LYS A 3 6.282 -5.793 -3.599 1.00 0.00 O ATOM 46 CB LYS A 3 7.263 -3.263 -2.040 1.00 0.00 C ATOM 47 CG LYS A 3 6.893 -2.091 -1.121 1.00 0.00 C ATOM 48 CD LYS A 3 7.948 -1.889 -0.025 1.00 0.00 C ATOM 49 CE LYS A 3 7.424 -0.875 1.002 1.00 0.00 C ATOM 50 NZ LYS A 3 8.411 -0.651 2.094 1.00 0.00 N ATOM 0 H LYS A 3 4.747 -3.714 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 3 6.468 -2.568 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.262 -4.185 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.279 -3.119 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.799 -1.179 -1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.921 -2.277 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.168 -2.838 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.880 -1.532 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.208 0.071 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.486 -1.234 1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.945 -0.172 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.789 -1.566 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.190 -0.058 1.742 1.00 0.00 H new ATOM 64 N VAL A 4 7.321 -4.563 -5.167 1.00 0.00 N ATOM 65 CA VAL A 4 7.764 -5.689 -5.997 1.00 0.00 C ATOM 66 C VAL A 4 9.239 -6.009 -5.745 1.00 0.00 C ATOM 67 O VAL A 4 10.022 -5.090 -5.522 1.00 0.00 O ATOM 68 CB VAL A 4 7.494 -5.407 -7.483 1.00 0.00 C ATOM 69 CG1 VAL A 4 6.008 -5.192 -7.779 1.00 0.00 C ATOM 70 CG2 VAL A 4 8.220 -4.202 -8.070 1.00 0.00 C ATOM 0 H VAL A 4 7.593 -3.655 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 4 7.187 -6.570 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 4 7.880 -6.311 -7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.873 -4.997 -8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.449 -6.085 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.642 -4.341 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.957 -4.096 -9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.926 -3.302 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.297 -4.345 -7.977 1.00 0.00 H new ATOM 80 N MET A 5 9.636 -7.281 -5.826 1.00 0.00 N ATOM 81 CA MET A 5 11.045 -7.708 -5.763 1.00 0.00 C ATOM 82 C MET A 5 11.406 -8.577 -6.970 1.00 0.00 C ATOM 83 O MET A 5 10.931 -9.707 -7.082 1.00 0.00 O ATOM 84 CB MET A 5 11.316 -8.490 -4.464 1.00 0.00 C ATOM 85 CG MET A 5 12.811 -8.835 -4.286 1.00 0.00 C ATOM 86 SD MET A 5 13.881 -7.425 -3.910 1.00 0.00 S ATOM 87 CE MET A 5 13.189 -6.868 -2.333 1.00 0.00 C ATOM 0 H MET A 5 8.984 -8.057 -5.939 1.00 0.00 H new ATOM 0 HA MET A 5 11.666 -6.812 -5.777 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.978 -7.901 -3.611 1.00 0.00 H new ATOM 0 HB3 MET A 5 10.731 -9.410 -4.468 1.00 0.00 H new ATOM 0 HG2 MET A 5 12.906 -9.568 -3.485 1.00 0.00 H new ATOM 0 HG3 MET A 5 13.170 -9.311 -5.198 1.00 0.00 H new ATOM 0 HE1 MET A 5 12.638 -5.940 -2.485 1.00 0.00 H new ATOM 0 HE2 MET A 5 12.515 -7.630 -1.942 1.00 0.00 H new ATOM 0 HE3 MET A 5 13.997 -6.698 -1.621 1.00 0.00 H new ATOM 97 N PHE A 6 12.262 -8.080 -7.862 1.00 0.00 N ATOM 98 CA PHE A 6 12.852 -8.906 -8.925 1.00 0.00 C ATOM 99 C PHE A 6 14.045 -9.706 -8.389 1.00 0.00 C ATOM 100 O PHE A 6 14.846 -9.162 -7.637 1.00 0.00 O ATOM 101 CB PHE A 6 13.259 -8.026 -10.106 1.00 0.00 C ATOM 102 CG PHE A 6 12.121 -7.166 -10.597 1.00 0.00 C ATOM 103 CD1 PHE A 6 11.052 -7.725 -11.322 1.00 0.00 C ATOM 104 CD2 PHE A 6 12.079 -5.817 -10.216 1.00 0.00 C ATOM 105 CE1 PHE A 6 9.922 -6.948 -11.606 1.00 0.00 C ATOM 106 CE2 PHE A 6 10.942 -5.045 -10.482 1.00 0.00 C ATOM 107 CZ PHE A 6 9.854 -5.610 -11.175 1.00 0.00 C ATOM 0 H PHE A 6 12.566 -7.106 -7.873 1.00 0.00 H new ATOM 0 HA PHE A 6 12.106 -9.621 -9.273 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.092 -7.388 -9.811 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.613 -8.657 -10.921 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.103 -8.750 -11.658 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.927 -5.372 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.099 -7.377 -12.158 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.899 -4.016 -10.156 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.972 -5.020 -11.375 1.00 0.00 H new ATOM 117 N VAL A 7 14.178 -10.979 -8.765 1.00 0.00 N ATOM 118 CA VAL A 7 15.166 -11.913 -8.199 1.00 0.00 C ATOM 119 C VAL A 7 15.821 -12.756 -9.293 1.00 0.00 C ATOM 120 O VAL A 7 15.116 -13.380 -10.074 1.00 0.00 O ATOM 121 CB VAL A 7 14.525 -12.823 -7.124 1.00 0.00 C ATOM 122 CG1 VAL A 7 15.611 -13.586 -6.358 1.00 0.00 C ATOM 123 CG2 VAL A 7 13.731 -12.040 -6.073 1.00 0.00 C ATOM 0 H VAL A 7 13.593 -11.403 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 7 15.942 -11.316 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 7 13.855 -13.489 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.146 -14.222 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.181 -14.203 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.279 -12.876 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.306 -12.733 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.394 -11.341 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.928 -11.488 -6.561 1.00 0.00 H new ATOM 133 N SER A 8 17.154 -12.843 -9.338 1.00 0.00 N ATOM 134 CA SER A 8 17.865 -13.806 -10.221 1.00 0.00 C ATOM 135 C SER A 8 19.160 -14.350 -9.608 1.00 0.00 C ATOM 136 O SER A 8 19.513 -13.995 -8.483 1.00 0.00 O ATOM 137 CB SER A 8 18.154 -13.185 -11.597 1.00 0.00 C ATOM 138 OG SER A 8 18.284 -14.273 -12.489 1.00 0.00 O ATOM 0 H SER A 8 17.775 -12.261 -8.776 1.00 0.00 H new ATOM 0 HA SER A 8 17.190 -14.653 -10.341 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.346 -12.521 -11.904 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.065 -12.588 -11.573 1.00 0.00 H new ATOM 0 HG SER A 8 17.632 -14.180 -13.215 1.00 0.00 H new ATOM 144 N LYS A 9 19.921 -15.158 -10.366 1.00 0.00 N ATOM 145 CA LYS A 9 21.291 -15.558 -9.978 1.00 0.00 C ATOM 146 C LYS A 9 22.185 -14.323 -9.834 1.00 0.00 C ATOM 147 O LYS A 9 22.966 -14.263 -8.899 1.00 0.00 O ATOM 148 CB LYS A 9 21.850 -16.631 -10.941 1.00 0.00 C ATOM 149 CG LYS A 9 23.188 -17.203 -10.430 1.00 0.00 C ATOM 150 CD LYS A 9 23.634 -18.494 -11.134 1.00 0.00 C ATOM 151 CE LYS A 9 24.007 -18.287 -12.612 1.00 0.00 C ATOM 152 NZ LYS A 9 24.557 -19.540 -13.214 1.00 0.00 N ATOM 0 H LYS A 9 19.612 -15.550 -11.255 1.00 0.00 H new ATOM 0 HA LYS A 9 21.267 -16.033 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.125 -17.438 -11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.993 -16.196 -11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.964 -16.448 -10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.102 -17.397 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.492 -18.909 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.833 -19.230 -11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.127 -17.969 -13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.743 -17.488 -12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.799 -19.369 -14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.411 -19.829 -12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.844 -20.295 -13.156 1.00 0.00 H new ATOM 166 N ARG A 10 22.012 -13.317 -10.702 1.00 0.00 N ATOM 167 CA ARG A 10 22.626 -11.980 -10.551 1.00 0.00 C ATOM 168 C ARG A 10 21.562 -10.925 -10.316 1.00 0.00 C ATOM 169 O ARG A 10 20.661 -10.778 -11.137 1.00 0.00 O ATOM 170 CB ARG A 10 23.468 -11.563 -11.775 1.00 0.00 C ATOM 171 CG ARG A 10 24.959 -11.860 -11.568 1.00 0.00 C ATOM 172 CD ARG A 10 25.261 -13.361 -11.702 1.00 0.00 C ATOM 173 NE ARG A 10 25.713 -13.689 -13.062 1.00 0.00 N ATOM 174 CZ ARG A 10 26.963 -13.612 -13.491 1.00 0.00 C ATOM 175 NH1 ARG A 10 27.955 -13.202 -12.755 1.00 0.00 N ATOM 176 NH2 ARG A 10 27.234 -13.946 -14.709 1.00 0.00 N ATOM 0 H ARG A 10 21.437 -13.404 -11.540 1.00 0.00 H new ATOM 0 HA ARG A 10 23.290 -12.052 -9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.111 -12.092 -12.659 1.00 0.00 H new ATOM 0 HB3 ARG A 10 23.332 -10.498 -11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 10 25.546 -11.304 -12.299 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.266 -11.513 -10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.027 -13.647 -10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 10 24.368 -13.938 -11.463 1.00 0.00 H new ATOM 0 HE ARG A 10 25.007 -14.001 -13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 10 27.790 -12.918 -11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 10 28.897 -13.165 -13.144 1.00 0.00 H new ATOM 0 HH21 ARG A 10 26.489 -14.265 -15.328 1.00 0.00 H new ATOM 0 HH22 ARG A 10 28.193 -13.891 -15.052 1.00 0.00 H new ATOM 190 N ASN A 11 21.708 -10.125 -9.267 1.00 0.00 N ATOM 191 CA ASN A 11 20.866 -8.938 -9.121 1.00 0.00 C ATOM 192 C ASN A 11 21.205 -7.926 -10.231 1.00 0.00 C ATOM 193 O ASN A 11 20.325 -7.261 -10.756 1.00 0.00 O ATOM 194 CB ASN A 11 21.042 -8.320 -7.730 1.00 0.00 C ATOM 195 CG ASN A 11 20.016 -7.231 -7.529 1.00 0.00 C ATOM 196 OD1 ASN A 11 18.842 -7.490 -7.507 1.00 0.00 O ATOM 197 ND2 ASN A 11 20.376 -5.980 -7.467 1.00 0.00 N ATOM 0 H ASN A 11 22.385 -10.269 -8.518 1.00 0.00 H new ATOM 0 HA ASN A 11 19.819 -9.224 -9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.929 -9.086 -6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 11 22.047 -7.911 -7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 11 19.668 -5.248 -7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 11 21.365 -5.733 -7.484 1.00 0.00 H new ATOM 204 N SER A 12 22.472 -7.868 -10.642 1.00 0.00 N ATOM 205 CA SER A 12 23.014 -6.946 -11.642 1.00 0.00 C ATOM 206 C SER A 12 22.527 -7.168 -13.082 1.00 0.00 C ATOM 207 O SER A 12 22.138 -6.217 -13.756 1.00 0.00 O ATOM 208 CB SER A 12 24.530 -7.091 -11.579 1.00 0.00 C ATOM 209 OG SER A 12 24.870 -8.441 -11.863 1.00 0.00 O ATOM 0 H SER A 12 23.185 -8.494 -10.268 1.00 0.00 H new ATOM 0 HA SER A 12 22.660 -5.945 -11.397 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.004 -6.423 -12.298 1.00 0.00 H new ATOM 0 HB3 SER A 12 24.896 -6.809 -10.592 1.00 0.00 H new ATOM 0 HG SER A 12 25.840 -8.515 -11.985 1.00 0.00 H new ATOM 215 N SER A 13 22.543 -8.415 -13.570 1.00 0.00 N ATOM 216 CA SER A 13 22.280 -8.723 -14.988 1.00 0.00 C ATOM 217 C SER A 13 20.791 -8.869 -15.316 1.00 0.00 C ATOM 218 O SER A 13 20.409 -8.648 -16.459 1.00 0.00 O ATOM 219 CB SER A 13 23.086 -9.950 -15.421 1.00 0.00 C ATOM 220 OG SER A 13 22.518 -11.119 -14.859 1.00 0.00 O ATOM 0 H SER A 13 22.737 -9.238 -12.999 1.00 0.00 H new ATOM 0 HA SER A 13 22.614 -7.863 -15.569 1.00 0.00 H new ATOM 0 HB2 SER A 13 23.095 -10.025 -16.508 1.00 0.00 H new ATOM 0 HB3 SER A 13 24.123 -9.848 -15.100 1.00 0.00 H new ATOM 0 HG SER A 13 21.988 -10.879 -14.070 1.00 0.00 H new ATOM 226 N ARG A 14 19.933 -9.218 -14.339 1.00 0.00 N ATOM 227 CA ARG A 14 18.461 -9.321 -14.520 1.00 0.00 C ATOM 228 C ARG A 14 17.658 -8.413 -13.598 1.00 0.00 C ATOM 229 O ARG A 14 16.921 -7.568 -14.088 1.00 0.00 O ATOM 230 CB ARG A 14 17.988 -10.782 -14.370 1.00 0.00 C ATOM 231 CG ARG A 14 17.822 -11.516 -15.708 1.00 0.00 C ATOM 232 CD ARG A 14 19.149 -11.836 -16.398 1.00 0.00 C ATOM 233 NE ARG A 14 20.093 -12.550 -15.495 1.00 0.00 N ATOM 234 CZ ARG A 14 19.995 -13.767 -15.001 1.00 0.00 C ATOM 235 NH1 ARG A 14 19.033 -14.565 -15.331 1.00 0.00 N ATOM 236 NH2 ARG A 14 20.878 -14.224 -14.171 1.00 0.00 N ATOM 0 H ARG A 14 20.238 -9.440 -13.391 1.00 0.00 H new ATOM 0 HA ARG A 14 18.268 -8.974 -15.535 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.704 -11.325 -13.754 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.037 -10.794 -13.838 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.277 -12.444 -15.539 1.00 0.00 H new ATOM 0 HG3 ARG A 14 17.213 -10.906 -16.375 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.960 -12.447 -17.280 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.609 -10.911 -16.744 1.00 0.00 H new ATOM 0 HE ARG A 14 20.926 -12.028 -15.223 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.320 -14.258 -15.993 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.987 -15.502 -14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.665 -13.639 -13.890 1.00 0.00 H new ATOM 0 HH22 ARG A 14 20.787 -15.169 -13.798 1.00 0.00 H new ATOM 250 N SER A 15 17.762 -8.571 -12.283 1.00 0.00 N ATOM 251 CA SER A 15 16.861 -7.887 -11.334 1.00 0.00 C ATOM 252 C SER A 15 16.936 -6.360 -11.434 1.00 0.00 C ATOM 253 O SER A 15 15.905 -5.700 -11.449 1.00 0.00 O ATOM 254 CB SER A 15 17.169 -8.347 -9.923 1.00 0.00 C ATOM 255 OG SER A 15 17.278 -9.752 -9.857 1.00 0.00 O ATOM 0 H SER A 15 18.461 -9.167 -11.839 1.00 0.00 H new ATOM 0 HA SER A 15 15.839 -8.159 -11.598 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.099 -7.891 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.383 -8.008 -9.248 1.00 0.00 H new ATOM 0 HG SER A 15 16.394 -10.155 -9.983 1.00 0.00 H new ATOM 261 N GLN A 16 18.131 -5.795 -11.589 1.00 0.00 N ATOM 262 CA GLN A 16 18.379 -4.391 -11.927 1.00 0.00 C ATOM 263 C GLN A 16 17.774 -3.981 -13.276 1.00 0.00 C ATOM 264 O GLN A 16 17.154 -2.921 -13.373 1.00 0.00 O ATOM 265 CB GLN A 16 19.899 -4.172 -11.919 1.00 0.00 C ATOM 266 CG GLN A 16 20.423 -3.815 -10.521 1.00 0.00 C ATOM 267 CD GLN A 16 21.831 -3.228 -10.560 1.00 0.00 C ATOM 268 OE1 GLN A 16 22.637 -3.482 -11.440 1.00 0.00 O ATOM 269 NE2 GLN A 16 22.189 -2.418 -9.592 1.00 0.00 N ATOM 0 H GLN A 16 18.995 -6.326 -11.478 1.00 0.00 H new ATOM 0 HA GLN A 16 17.888 -3.760 -11.186 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.397 -5.075 -12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.154 -3.374 -12.616 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.747 -3.099 -10.054 1.00 0.00 H new ATOM 0 HG3 GLN A 16 20.422 -4.708 -9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 16 21.531 -2.192 -8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 16 23.126 -2.014 -9.585 1.00 0.00 H new ATOM 278 N MET A 17 17.841 -4.835 -14.307 1.00 0.00 N ATOM 279 CA MET A 17 17.185 -4.558 -15.595 1.00 0.00 C ATOM 280 C MET A 17 15.663 -4.445 -15.425 1.00 0.00 C ATOM 281 O MET A 17 15.054 -3.472 -15.865 1.00 0.00 O ATOM 282 CB MET A 17 17.573 -5.598 -16.666 1.00 0.00 C ATOM 283 CG MET A 17 19.079 -5.533 -16.976 1.00 0.00 C ATOM 284 SD MET A 17 19.531 -5.625 -18.731 1.00 0.00 S ATOM 285 CE MET A 17 18.897 -7.247 -19.212 1.00 0.00 C ATOM 0 H MET A 17 18.342 -5.723 -14.275 1.00 0.00 H new ATOM 0 HA MET A 17 17.545 -3.593 -15.952 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.312 -6.598 -16.319 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.002 -5.418 -17.577 1.00 0.00 H new ATOM 0 HG2 MET A 17 19.475 -4.603 -16.567 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.574 -6.349 -16.450 1.00 0.00 H new ATOM 0 HE1 MET A 17 19.713 -7.856 -19.601 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.459 -7.739 -18.343 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.136 -7.126 -19.983 1.00 0.00 H new ATOM 295 N ALA A 18 15.054 -5.378 -14.693 1.00 0.00 N ATOM 296 CA ALA A 18 13.634 -5.301 -14.350 1.00 0.00 C ATOM 297 C ALA A 18 13.311 -4.166 -13.366 1.00 0.00 C ATOM 298 O ALA A 18 12.226 -3.602 -13.457 1.00 0.00 O ATOM 299 CB ALA A 18 13.205 -6.664 -13.811 1.00 0.00 C ATOM 0 H ALA A 18 15.527 -6.203 -14.323 1.00 0.00 H new ATOM 0 HA ALA A 18 13.067 -5.057 -15.248 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.148 -6.635 -13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.367 -7.425 -14.575 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.793 -6.907 -12.926 1.00 0.00 H new ATOM 305 N GLU A 19 14.235 -3.749 -12.491 1.00 0.00 N ATOM 306 CA GLU A 19 13.982 -2.649 -11.552 1.00 0.00 C ATOM 307 C GLU A 19 13.937 -1.345 -12.322 1.00 0.00 C ATOM 308 O GLU A 19 13.002 -0.579 -12.152 1.00 0.00 O ATOM 309 CB GLU A 19 15.039 -2.587 -10.434 1.00 0.00 C ATOM 310 CG GLU A 19 14.810 -1.396 -9.486 1.00 0.00 C ATOM 311 CD GLU A 19 15.771 -1.417 -8.287 1.00 0.00 C ATOM 312 OE1 GLU A 19 15.704 -2.371 -7.476 1.00 0.00 O ATOM 313 OE2 GLU A 19 16.582 -0.472 -8.161 1.00 0.00 O ATOM 0 H GLU A 19 15.166 -4.158 -12.414 1.00 0.00 H new ATOM 0 HA GLU A 19 13.023 -2.825 -11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.016 -3.515 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.032 -2.511 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.939 -0.465 -10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.781 -1.413 -9.126 1.00 0.00 H new ATOM 320 N GLY A 20 14.895 -1.121 -13.221 1.00 0.00 N ATOM 321 CA GLY A 20 14.935 0.081 -14.046 1.00 0.00 C ATOM 322 C GLY A 20 13.734 0.184 -14.983 1.00 0.00 C ATOM 323 O GLY A 20 13.104 1.233 -15.015 1.00 0.00 O ATOM 0 H GLY A 20 15.663 -1.768 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.966 0.960 -13.402 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.853 0.084 -14.634 1.00 0.00 H new ATOM 327 N PHE A 21 13.338 -0.906 -15.652 1.00 0.00 N ATOM 328 CA PHE A 21 12.092 -0.916 -16.437 1.00 0.00 C ATOM 329 C PHE A 21 10.857 -0.704 -15.555 1.00 0.00 C ATOM 330 O PHE A 21 9.960 0.044 -15.927 1.00 0.00 O ATOM 331 CB PHE A 21 11.974 -2.221 -17.255 1.00 0.00 C ATOM 332 CG PHE A 21 12.476 -2.127 -18.681 1.00 0.00 C ATOM 333 CD1 PHE A 21 11.819 -1.270 -19.583 1.00 0.00 C ATOM 334 CD2 PHE A 21 13.553 -2.913 -19.131 1.00 0.00 C ATOM 335 CE1 PHE A 21 12.259 -1.167 -20.913 1.00 0.00 C ATOM 336 CE2 PHE A 21 13.992 -2.813 -20.462 1.00 0.00 C ATOM 337 CZ PHE A 21 13.346 -1.940 -21.353 1.00 0.00 C ATOM 0 H PHE A 21 13.855 -1.785 -15.668 1.00 0.00 H new ATOM 0 HA PHE A 21 12.136 -0.077 -17.131 1.00 0.00 H new ATOM 0 HB2 PHE A 21 12.528 -3.006 -16.741 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.928 -2.528 -17.273 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.972 -0.688 -19.251 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.043 -3.595 -18.452 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.762 -0.494 -21.596 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.827 -3.408 -20.801 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.685 -1.863 -22.376 1.00 0.00 H new ATOM 347 N ALA A 22 10.786 -1.319 -14.370 1.00 0.00 N ATOM 348 CA ALA A 22 9.601 -1.194 -13.517 1.00 0.00 C ATOM 349 C ALA A 22 9.509 0.220 -12.925 1.00 0.00 C ATOM 350 O ALA A 22 8.425 0.783 -12.822 1.00 0.00 O ATOM 351 CB ALA A 22 9.641 -2.309 -12.466 1.00 0.00 C ATOM 0 H ALA A 22 11.528 -1.903 -13.983 1.00 0.00 H new ATOM 0 HA ALA A 22 8.686 -1.322 -14.095 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.766 -2.232 -11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.641 -3.279 -12.964 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.545 -2.210 -11.865 1.00 0.00 H new ATOM 357 N LYS A 23 10.660 0.826 -12.626 1.00 0.00 N ATOM 358 CA LYS A 23 10.823 2.233 -12.249 1.00 0.00 C ATOM 359 C LYS A 23 10.311 3.136 -13.371 1.00 0.00 C ATOM 360 O LYS A 23 9.345 3.859 -13.162 1.00 0.00 O ATOM 361 CB LYS A 23 12.309 2.450 -11.909 1.00 0.00 C ATOM 362 CG LYS A 23 12.620 3.757 -11.187 1.00 0.00 C ATOM 363 CD LYS A 23 14.124 3.759 -10.847 1.00 0.00 C ATOM 364 CE LYS A 23 14.655 5.136 -10.412 1.00 0.00 C ATOM 365 NZ LYS A 23 14.106 5.592 -9.098 1.00 0.00 N ATOM 0 H LYS A 23 11.548 0.324 -12.641 1.00 0.00 H new ATOM 0 HA LYS A 23 10.232 2.493 -11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.650 1.620 -11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.886 2.416 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.369 4.611 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.023 3.844 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.309 3.039 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.685 3.421 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.742 5.095 -10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.407 5.872 -11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.501 6.524 -8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.070 5.661 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.364 4.909 -8.358 1.00 0.00 H new ATOM 379 N THR A 24 10.839 3.031 -14.589 1.00 0.00 N ATOM 380 CA THR A 24 10.389 3.891 -15.699 1.00 0.00 C ATOM 381 C THR A 24 8.966 3.615 -16.201 1.00 0.00 C ATOM 382 O THR A 24 8.393 4.483 -16.864 1.00 0.00 O ATOM 383 CB THR A 24 11.383 3.888 -16.857 1.00 0.00 C ATOM 384 OG1 THR A 24 11.553 2.585 -17.364 1.00 0.00 O ATOM 385 CG2 THR A 24 12.730 4.437 -16.398 1.00 0.00 C ATOM 0 H THR A 24 11.573 2.368 -14.838 1.00 0.00 H new ATOM 0 HA THR A 24 10.351 4.890 -15.264 1.00 0.00 H new ATOM 0 HB THR A 24 10.985 4.524 -17.647 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.081 2.054 -16.731 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.430 4.429 -17.234 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.604 5.459 -16.040 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.121 3.816 -15.592 1.00 0.00 H new ATOM 393 N LEU A 25 8.356 2.476 -15.841 1.00 0.00 N ATOM 394 CA LEU A 25 6.959 2.154 -16.164 1.00 0.00 C ATOM 395 C LEU A 25 5.970 2.400 -15.000 1.00 0.00 C ATOM 396 O LEU A 25 4.760 2.284 -15.204 1.00 0.00 O ATOM 397 CB LEU A 25 6.879 0.703 -16.692 1.00 0.00 C ATOM 398 CG LEU A 25 7.561 0.496 -18.061 1.00 0.00 C ATOM 399 CD1 LEU A 25 7.788 -0.995 -18.312 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.702 1.054 -19.199 1.00 0.00 C ATOM 0 H LEU A 25 8.826 1.743 -15.310 1.00 0.00 H new ATOM 0 HA LEU A 25 6.638 2.846 -16.943 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.340 0.036 -15.963 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.831 0.413 -16.772 1.00 0.00 H new ATOM 0 HG LEU A 25 8.513 1.027 -18.038 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.270 -1.132 -19.280 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.426 -1.403 -17.528 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.830 -1.515 -18.307 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.209 0.893 -20.150 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.738 0.545 -19.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.546 2.122 -19.047 1.00 0.00 H new ATOM 412 N GLY A 26 6.451 2.744 -13.795 1.00 0.00 N ATOM 413 CA GLY A 26 5.633 2.794 -12.567 1.00 0.00 C ATOM 414 C GLY A 26 6.091 3.750 -11.458 1.00 0.00 C ATOM 415 O GLY A 26 5.565 3.677 -10.345 1.00 0.00 O ATOM 0 H GLY A 26 7.427 2.998 -13.641 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.616 3.067 -12.849 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.589 1.788 -12.149 1.00 0.00 H new ATOM 419 N ALA A 27 7.056 4.639 -11.723 1.00 0.00 N ATOM 420 CA ALA A 27 7.582 5.598 -10.747 1.00 0.00 C ATOM 421 C ALA A 27 6.465 6.447 -10.106 1.00 0.00 C ATOM 422 O ALA A 27 5.601 6.999 -10.793 1.00 0.00 O ATOM 423 CB ALA A 27 8.637 6.488 -11.424 1.00 0.00 C ATOM 0 H ALA A 27 7.500 4.712 -12.638 1.00 0.00 H new ATOM 0 HA ALA A 27 8.048 5.040 -9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.030 7.202 -10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.451 5.867 -11.799 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.180 7.027 -12.254 1.00 0.00 H new ATOM 429 N GLY A 28 6.482 6.536 -8.772 1.00 0.00 N ATOM 430 CA GLY A 28 5.495 7.273 -7.969 1.00 0.00 C ATOM 431 C GLY A 28 4.163 6.551 -7.721 1.00 0.00 C ATOM 432 O GLY A 28 3.376 7.036 -6.903 1.00 0.00 O ATOM 0 H GLY A 28 7.200 6.087 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.943 7.510 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.286 8.221 -8.465 1.00 0.00 H new ATOM 436 N LYS A 29 3.888 5.400 -8.369 1.00 0.00 N ATOM 437 CA LYS A 29 2.668 4.606 -8.106 1.00 0.00 C ATOM 438 C LYS A 29 2.884 3.673 -6.913 1.00 0.00 C ATOM 439 O LYS A 29 2.167 3.749 -5.916 1.00 0.00 O ATOM 440 CB LYS A 29 2.186 3.815 -9.343 1.00 0.00 C ATOM 441 CG LYS A 29 2.159 4.543 -10.699 1.00 0.00 C ATOM 442 CD LYS A 29 1.656 5.993 -10.691 1.00 0.00 C ATOM 443 CE LYS A 29 0.241 6.194 -10.122 1.00 0.00 C ATOM 444 NZ LYS A 29 -0.828 5.648 -11.002 1.00 0.00 N ATOM 0 H LYS A 29 4.497 4.998 -9.081 1.00 0.00 H new ATOM 0 HA LYS A 29 1.876 5.315 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.824 2.937 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.178 3.454 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.168 4.535 -11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.532 3.969 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.352 6.599 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.677 6.373 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.178 5.715 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.067 7.259 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.631 6.309 -11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.455 5.524 -11.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.146 4.729 -10.633 1.00 0.00 H new ATOM 458 N ILE A 30 3.913 2.830 -7.031 1.00 0.00 N ATOM 459 CA ILE A 30 4.414 1.902 -5.996 1.00 0.00 C ATOM 460 C ILE A 30 5.958 1.884 -5.984 1.00 0.00 C ATOM 461 O ILE A 30 6.588 2.560 -6.799 1.00 0.00 O ATOM 462 CB ILE A 30 3.776 0.488 -6.137 1.00 0.00 C ATOM 463 CG1 ILE A 30 4.097 -0.264 -7.453 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.242 0.558 -6.031 1.00 0.00 C ATOM 465 CD1 ILE A 30 5.499 -0.878 -7.559 1.00 0.00 C ATOM 0 H ILE A 30 4.452 2.768 -7.894 1.00 0.00 H new ATOM 0 HA ILE A 30 4.100 2.266 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 30 4.228 -0.069 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.364 -1.061 -7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.963 0.428 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.824 -0.444 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.963 0.971 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.851 1.197 -6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.606 -1.377 -8.522 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.248 -0.091 -7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.640 -1.603 -6.757 1.00 0.00 H new ATOM 477 N ALA A 31 6.586 1.100 -5.093 1.00 0.00 N ATOM 478 CA ALA A 31 8.045 0.960 -5.041 1.00 0.00 C ATOM 479 C ALA A 31 8.522 -0.328 -5.706 1.00 0.00 C ATOM 480 O ALA A 31 8.089 -1.432 -5.368 1.00 0.00 O ATOM 481 CB ALA A 31 8.552 1.017 -3.602 1.00 0.00 C ATOM 0 H ALA A 31 6.095 0.547 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 31 8.459 1.801 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.637 0.911 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.278 1.974 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.104 0.207 -3.026 1.00 0.00 H new ATOM 487 N VAL A 32 9.462 -0.183 -6.630 1.00 0.00 N ATOM 488 CA VAL A 32 10.197 -1.293 -7.227 1.00 0.00 C ATOM 489 C VAL A 32 11.489 -1.633 -6.479 1.00 0.00 C ATOM 490 O VAL A 32 12.174 -0.751 -5.959 1.00 0.00 O ATOM 491 CB VAL A 32 10.446 -1.014 -8.703 1.00 0.00 C ATOM 492 CG1 VAL A 32 9.104 -0.880 -9.428 1.00 0.00 C ATOM 493 CG2 VAL A 32 11.301 0.221 -8.992 1.00 0.00 C ATOM 0 H VAL A 32 9.742 0.728 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 32 9.575 -2.184 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 32 11.021 -1.864 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.280 -0.680 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.540 -1.807 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.536 -0.058 -8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.422 0.336 -10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.811 1.106 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.280 0.103 -8.527 1.00 0.00 H new ATOM 503 N THR A 33 11.815 -2.926 -6.449 1.00 0.00 N ATOM 504 CA THR A 33 12.953 -3.469 -5.695 1.00 0.00 C ATOM 505 C THR A 33 13.563 -4.665 -6.418 1.00 0.00 C ATOM 506 O THR A 33 12.903 -5.331 -7.218 1.00 0.00 O ATOM 507 CB THR A 33 12.563 -3.884 -4.264 1.00 0.00 C ATOM 508 OG1 THR A 33 11.390 -3.248 -3.805 1.00 0.00 O ATOM 509 CG2 THR A 33 13.668 -3.546 -3.262 1.00 0.00 C ATOM 0 H THR A 33 11.289 -3.639 -6.955 1.00 0.00 H new ATOM 0 HA THR A 33 13.688 -2.667 -5.627 1.00 0.00 H new ATOM 0 HB THR A 33 12.398 -4.960 -4.323 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.609 -3.648 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.359 -3.852 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.582 -4.073 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.852 -2.472 -3.271 1.00 0.00 H new ATOM 517 N SER A 34 14.823 -4.953 -6.121 1.00 0.00 N ATOM 518 CA SER A 34 15.609 -6.034 -6.718 1.00 0.00 C ATOM 519 C SER A 34 16.533 -6.732 -5.700 1.00 0.00 C ATOM 520 O SER A 34 17.102 -6.079 -4.817 1.00 0.00 O ATOM 521 CB SER A 34 16.414 -5.487 -7.905 1.00 0.00 C ATOM 522 OG SER A 34 17.284 -4.425 -7.566 1.00 0.00 O ATOM 0 H SER A 34 15.351 -4.420 -5.430 1.00 0.00 H new ATOM 0 HA SER A 34 14.913 -6.796 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.998 -6.298 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.722 -5.145 -8.674 1.00 0.00 H new ATOM 0 HG SER A 34 16.762 -3.674 -7.215 1.00 0.00 H new ATOM 528 N SER A 35 16.669 -8.059 -5.816 1.00 0.00 N ATOM 529 CA SER A 35 17.651 -8.880 -5.096 1.00 0.00 C ATOM 530 C SER A 35 18.178 -10.020 -5.981 1.00 0.00 C ATOM 531 O SER A 35 17.769 -10.190 -7.130 1.00 0.00 O ATOM 532 CB SER A 35 17.041 -9.403 -3.791 1.00 0.00 C ATOM 533 OG SER A 35 18.056 -9.974 -2.982 1.00 0.00 O ATOM 0 H SER A 35 16.077 -8.611 -6.437 1.00 0.00 H new ATOM 0 HA SER A 35 18.509 -8.258 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.551 -8.589 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.275 -10.147 -4.009 1.00 0.00 H new ATOM 0 HG SER A 35 18.437 -9.284 -2.399 1.00 0.00 H new ATOM 539 N GLY A 36 19.107 -10.832 -5.480 1.00 0.00 N ATOM 540 CA GLY A 36 19.549 -12.043 -6.173 1.00 0.00 C ATOM 541 C GLY A 36 20.724 -12.764 -5.505 1.00 0.00 C ATOM 542 O GLY A 36 21.306 -12.246 -4.553 1.00 0.00 O ATOM 0 H GLY A 36 19.573 -10.671 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.708 -12.733 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.832 -11.780 -7.192 1.00 0.00 H new ATOM 546 N LEU A 37 21.050 -13.980 -5.967 1.00 0.00 N ATOM 547 CA LEU A 37 22.020 -14.875 -5.296 1.00 0.00 C ATOM 548 C LEU A 37 23.421 -14.236 -5.202 1.00 0.00 C ATOM 549 O LEU A 37 24.054 -14.243 -4.147 1.00 0.00 O ATOM 550 CB LEU A 37 22.085 -16.250 -6.006 1.00 0.00 C ATOM 551 CG LEU A 37 20.753 -17.007 -6.182 1.00 0.00 C ATOM 552 CD1 LEU A 37 21.002 -18.382 -6.797 1.00 0.00 C ATOM 553 CD2 LEU A 37 20.016 -17.200 -4.858 1.00 0.00 C ATOM 0 H LEU A 37 20.651 -14.377 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 37 21.667 -15.032 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.524 -16.102 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.767 -16.889 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 37 20.134 -16.397 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 37 20.053 -18.905 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.475 -18.264 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.656 -18.960 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.085 -17.738 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.642 -17.773 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.795 -16.227 -4.419 1.00 0.00 H new ATOM 565 N GLU A 38 23.866 -13.642 -6.306 1.00 0.00 N ATOM 566 CA GLU A 38 25.039 -12.780 -6.435 1.00 0.00 C ATOM 567 C GLU A 38 24.506 -11.363 -6.670 1.00 0.00 C ATOM 568 O GLU A 38 23.907 -11.081 -7.704 1.00 0.00 O ATOM 569 CB GLU A 38 25.913 -13.298 -7.593 1.00 0.00 C ATOM 570 CG GLU A 38 27.228 -12.521 -7.729 1.00 0.00 C ATOM 571 CD GLU A 38 28.089 -13.074 -8.883 1.00 0.00 C ATOM 572 OE1 GLU A 38 28.862 -14.035 -8.655 1.00 0.00 O ATOM 573 OE2 GLU A 38 27.997 -12.560 -10.024 1.00 0.00 O ATOM 0 H GLU A 38 23.383 -13.758 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 38 25.672 -12.779 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.133 -14.354 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.354 -13.226 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.013 -11.467 -7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.786 -12.581 -6.795 1.00 0.00 H new ATOM 580 N SER A 39 24.676 -10.449 -5.719 1.00 0.00 N ATOM 581 CA SER A 39 24.210 -9.067 -5.907 1.00 0.00 C ATOM 582 C SER A 39 25.010 -8.363 -7.011 1.00 0.00 C ATOM 583 O SER A 39 24.448 -7.744 -7.916 1.00 0.00 O ATOM 584 CB SER A 39 24.289 -8.321 -4.578 1.00 0.00 C ATOM 585 OG SER A 39 25.608 -8.377 -4.053 1.00 0.00 O ATOM 0 H SER A 39 25.125 -10.630 -4.821 1.00 0.00 H new ATOM 0 HA SER A 39 23.170 -9.076 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 39 23.991 -7.282 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 39 23.589 -8.759 -3.866 1.00 0.00 H new ATOM 0 HG SER A 39 25.642 -7.893 -3.202 1.00 0.00 H new ATOM 591 N SER A 40 26.326 -8.570 -6.984 1.00 0.00 N ATOM 592 CA SER A 40 27.330 -7.958 -7.866 1.00 0.00 C ATOM 593 C SER A 40 27.260 -6.409 -7.926 1.00 0.00 C ATOM 594 O SER A 40 26.561 -5.757 -7.140 1.00 0.00 O ATOM 595 CB SER A 40 27.258 -8.623 -9.250 1.00 0.00 C ATOM 596 OG SER A 40 28.426 -8.343 -10.007 1.00 0.00 O ATOM 0 H SER A 40 26.749 -9.206 -6.308 1.00 0.00 H new ATOM 0 HA SER A 40 28.313 -8.147 -7.436 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.144 -9.701 -9.135 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.378 -8.265 -9.785 1.00 0.00 H new ATOM 0 HG SER A 40 28.360 -8.777 -10.883 1.00 0.00 H new ATOM 602 N ARG A 41 28.015 -5.805 -8.852 1.00 0.00 N ATOM 603 CA ARG A 41 28.012 -4.364 -9.190 1.00 0.00 C ATOM 604 C ARG A 41 26.975 -4.035 -10.272 1.00 0.00 C ATOM 605 O ARG A 41 26.402 -4.943 -10.862 1.00 0.00 O ATOM 606 CB ARG A 41 29.437 -3.940 -9.612 1.00 0.00 C ATOM 607 CG ARG A 41 29.873 -4.514 -10.978 1.00 0.00 C ATOM 608 CD ARG A 41 31.295 -4.083 -11.359 1.00 0.00 C ATOM 609 NE ARG A 41 32.317 -4.688 -10.478 1.00 0.00 N ATOM 610 CZ ARG A 41 33.608 -4.397 -10.445 1.00 0.00 C ATOM 611 NH1 ARG A 41 34.137 -3.498 -11.228 1.00 0.00 N ATOM 612 NH2 ARG A 41 34.400 -5.016 -9.619 1.00 0.00 N ATOM 0 H ARG A 41 28.681 -6.330 -9.419 1.00 0.00 H new ATOM 0 HA ARG A 41 27.720 -3.794 -8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 41 29.487 -2.852 -9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 41 30.145 -4.264 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 41 29.821 -5.602 -10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 41 29.176 -4.184 -11.748 1.00 0.00 H new ATOM 0 HD2 ARG A 41 31.494 -4.367 -12.392 1.00 0.00 H new ATOM 0 HD3 ARG A 41 31.370 -2.997 -11.307 1.00 0.00 H new ATOM 0 HE ARG A 41 31.993 -5.404 -9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 41 33.552 -2.993 -11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 41 35.136 -3.300 -11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 41 34.027 -5.729 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 41 35.394 -4.788 -9.598 1.00 0.00 H new ATOM 626 N VAL A 42 26.773 -2.756 -10.603 1.00 0.00 N ATOM 627 CA VAL A 42 25.982 -2.345 -11.779 1.00 0.00 C ATOM 628 C VAL A 42 26.659 -2.915 -13.037 1.00 0.00 C ATOM 629 O VAL A 42 27.797 -2.564 -13.344 1.00 0.00 O ATOM 630 CB VAL A 42 25.811 -0.811 -11.806 1.00 0.00 C ATOM 631 CG1 VAL A 42 24.792 -0.408 -10.738 1.00 0.00 C ATOM 632 CG2 VAL A 42 27.100 -0.013 -11.527 1.00 0.00 C ATOM 0 H VAL A 42 27.150 -1.974 -10.068 1.00 0.00 H new ATOM 0 HA VAL A 42 24.970 -2.748 -11.734 1.00 0.00 H new ATOM 0 HB VAL A 42 25.493 -0.570 -12.820 1.00 0.00 H new ATOM 0 HG11 VAL A 42 24.663 0.674 -10.748 1.00 0.00 H new ATOM 0 HG12 VAL A 42 23.836 -0.889 -10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 42 25.149 -0.722 -9.757 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.883 1.054 -11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.480 -0.270 -10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.850 -0.259 -12.279 1.00 0.00 H new ATOM 642 N HIS A 43 26.006 -3.855 -13.733 1.00 0.00 N ATOM 643 CA HIS A 43 26.656 -4.636 -14.805 1.00 0.00 C ATOM 644 C HIS A 43 27.092 -3.774 -16.009 1.00 0.00 C ATOM 645 O HIS A 43 26.265 -3.023 -16.527 1.00 0.00 O ATOM 646 CB HIS A 43 25.760 -5.812 -15.231 1.00 0.00 C ATOM 647 CG HIS A 43 26.431 -6.735 -16.203 1.00 0.00 C ATOM 648 ND1 HIS A 43 26.631 -6.471 -17.560 1.00 0.00 N ATOM 649 CD2 HIS A 43 27.074 -7.889 -15.869 1.00 0.00 C ATOM 650 CE1 HIS A 43 27.392 -7.486 -18.010 1.00 0.00 C ATOM 651 NE2 HIS A 43 27.671 -8.342 -17.020 1.00 0.00 N ATOM 0 H HIS A 43 25.027 -4.096 -13.576 1.00 0.00 H new ATOM 0 HA HIS A 43 27.580 -5.039 -14.391 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.465 -6.376 -14.346 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.846 -5.422 -15.680 1.00 0.00 H new ATOM 0 HD2 HIS A 43 27.107 -8.354 -14.895 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.731 -7.595 -19.030 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.233 -9.189 -17.106 1.00 0.00 H new ATOM 659 N PRO A 44 28.347 -3.880 -16.498 1.00 0.00 N ATOM 660 CA PRO A 44 28.899 -2.976 -17.514 1.00 0.00 C ATOM 661 C PRO A 44 28.125 -2.977 -18.837 1.00 0.00 C ATOM 662 O PRO A 44 27.905 -1.917 -19.429 1.00 0.00 O ATOM 663 CB PRO A 44 30.349 -3.436 -17.724 1.00 0.00 C ATOM 664 CG PRO A 44 30.341 -4.894 -17.264 1.00 0.00 C ATOM 665 CD PRO A 44 29.361 -4.850 -16.101 1.00 0.00 C ATOM 0 HA PRO A 44 28.828 -1.945 -17.168 1.00 0.00 H new ATOM 0 HB2 PRO A 44 30.649 -3.348 -18.768 1.00 0.00 H new ATOM 0 HB3 PRO A 44 31.047 -2.836 -17.140 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.009 -5.569 -18.053 1.00 0.00 H new ATOM 0 HG3 PRO A 44 31.330 -5.230 -16.952 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.920 -5.830 -15.919 1.00 0.00 H new ATOM 0 HD3 PRO A 44 29.857 -4.548 -15.179 1.00 0.00 H new ATOM 673 N THR A 45 27.662 -4.149 -19.287 1.00 0.00 N ATOM 674 CA THR A 45 26.860 -4.279 -20.514 1.00 0.00 C ATOM 675 C THR A 45 25.418 -3.865 -20.255 1.00 0.00 C ATOM 676 O THR A 45 24.830 -3.179 -21.086 1.00 0.00 O ATOM 677 CB THR A 45 26.932 -5.708 -21.079 1.00 0.00 C ATOM 678 OG1 THR A 45 28.269 -6.175 -21.111 1.00 0.00 O ATOM 679 CG2 THR A 45 26.374 -5.821 -22.497 1.00 0.00 C ATOM 0 H THR A 45 27.832 -5.036 -18.812 1.00 0.00 H new ATOM 0 HA THR A 45 27.279 -3.609 -21.264 1.00 0.00 H new ATOM 0 HB THR A 45 26.321 -6.312 -20.408 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.289 -7.086 -21.472 1.00 0.00 H new ATOM 0 HG21 THR A 45 26.454 -6.853 -22.838 1.00 0.00 H new ATOM 0 HG22 THR A 45 25.327 -5.517 -22.501 1.00 0.00 H new ATOM 0 HG23 THR A 45 26.943 -5.173 -23.164 1.00 0.00 H new ATOM 687 N ALA A 46 24.850 -4.172 -19.081 1.00 0.00 N ATOM 688 CA ALA A 46 23.500 -3.714 -18.749 1.00 0.00 C ATOM 689 C ALA A 46 23.409 -2.182 -18.654 1.00 0.00 C ATOM 690 O ALA A 46 22.454 -1.628 -19.181 1.00 0.00 O ATOM 691 CB ALA A 46 23.014 -4.398 -17.469 1.00 0.00 C ATOM 0 H ALA A 46 25.300 -4.729 -18.355 1.00 0.00 H new ATOM 0 HA ALA A 46 22.837 -4.001 -19.565 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.009 -4.051 -17.230 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.999 -5.478 -17.617 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.687 -4.153 -16.647 1.00 0.00 H new ATOM 697 N ILE A 47 24.403 -1.469 -18.097 1.00 0.00 N ATOM 698 CA ILE A 47 24.429 0.010 -18.114 1.00 0.00 C ATOM 699 C ILE A 47 24.237 0.526 -19.553 1.00 0.00 C ATOM 700 O ILE A 47 23.383 1.378 -19.775 1.00 0.00 O ATOM 701 CB ILE A 47 25.726 0.567 -17.472 1.00 0.00 C ATOM 702 CG1 ILE A 47 25.847 0.201 -15.973 1.00 0.00 C ATOM 703 CG2 ILE A 47 25.769 2.106 -17.567 1.00 0.00 C ATOM 704 CD1 ILE A 47 27.280 0.308 -15.440 1.00 0.00 C ATOM 0 H ILE A 47 25.203 -1.892 -17.627 1.00 0.00 H new ATOM 0 HA ILE A 47 23.600 0.375 -17.507 1.00 0.00 H new ATOM 0 HB ILE A 47 26.548 0.115 -18.027 1.00 0.00 H new ATOM 0 HG12 ILE A 47 25.200 0.858 -15.392 1.00 0.00 H new ATOM 0 HG13 ILE A 47 25.485 -0.816 -15.824 1.00 0.00 H new ATOM 0 HG21 ILE A 47 26.688 2.473 -17.110 1.00 0.00 H new ATOM 0 HG22 ILE A 47 25.739 2.407 -18.614 1.00 0.00 H new ATOM 0 HG23 ILE A 47 24.910 2.527 -17.044 1.00 0.00 H new ATOM 0 HD11 ILE A 47 27.296 0.038 -14.384 1.00 0.00 H new ATOM 0 HD12 ILE A 47 27.927 -0.369 -15.998 1.00 0.00 H new ATOM 0 HD13 ILE A 47 27.637 1.331 -15.559 1.00 0.00 H new ATOM 716 N ALA A 48 24.937 -0.047 -20.538 1.00 0.00 N ATOM 717 CA ALA A 48 24.775 0.301 -21.952 1.00 0.00 C ATOM 718 C ALA A 48 23.390 -0.058 -22.513 1.00 0.00 C ATOM 719 O ALA A 48 22.665 0.811 -22.993 1.00 0.00 O ATOM 720 CB ALA A 48 25.881 -0.391 -22.755 1.00 0.00 C ATOM 0 H ALA A 48 25.637 -0.771 -20.374 1.00 0.00 H new ATOM 0 HA ALA A 48 24.856 1.384 -22.041 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.774 -0.142 -23.811 1.00 0.00 H new ATOM 0 HB2 ALA A 48 26.854 -0.054 -22.399 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.802 -1.471 -22.627 1.00 0.00 H new ATOM 726 N MET A 49 23.001 -1.335 -22.438 1.00 0.00 N ATOM 727 CA MET A 49 21.749 -1.826 -23.038 1.00 0.00 C ATOM 728 C MET A 49 20.503 -1.219 -22.390 1.00 0.00 C ATOM 729 O MET A 49 19.448 -1.190 -23.018 1.00 0.00 O ATOM 730 CB MET A 49 21.654 -3.356 -22.945 1.00 0.00 C ATOM 731 CG MET A 49 22.819 -4.147 -23.559 1.00 0.00 C ATOM 732 SD MET A 49 23.164 -3.895 -25.322 1.00 0.00 S ATOM 733 CE MET A 49 24.315 -2.493 -25.286 1.00 0.00 C ATOM 0 H MET A 49 23.541 -2.058 -21.962 1.00 0.00 H new ATOM 0 HA MET A 49 21.780 -1.514 -24.082 1.00 0.00 H new ATOM 0 HB2 MET A 49 21.570 -3.631 -21.894 1.00 0.00 H new ATOM 0 HB3 MET A 49 20.731 -3.672 -23.432 1.00 0.00 H new ATOM 0 HG2 MET A 49 23.723 -3.903 -23.001 1.00 0.00 H new ATOM 0 HG3 MET A 49 22.625 -5.208 -23.402 1.00 0.00 H new ATOM 0 HE1 MET A 49 24.689 -2.303 -26.292 1.00 0.00 H new ATOM 0 HE2 MET A 49 23.798 -1.607 -24.918 1.00 0.00 H new ATOM 0 HE3 MET A 49 25.151 -2.725 -24.626 1.00 0.00 H new ATOM 743 N MET A 50 20.604 -0.744 -21.152 1.00 0.00 N ATOM 744 CA MET A 50 19.514 -0.097 -20.430 1.00 0.00 C ATOM 745 C MET A 50 19.515 1.420 -20.682 1.00 0.00 C ATOM 746 O MET A 50 18.454 1.989 -20.929 1.00 0.00 O ATOM 747 CB MET A 50 19.595 -0.499 -18.952 1.00 0.00 C ATOM 748 CG MET A 50 19.488 -2.021 -18.766 1.00 0.00 C ATOM 749 SD MET A 50 17.862 -2.728 -19.153 1.00 0.00 S ATOM 750 CE MET A 50 16.834 -1.857 -17.946 1.00 0.00 C ATOM 0 H MET A 50 21.467 -0.800 -20.611 1.00 0.00 H new ATOM 0 HA MET A 50 18.546 -0.437 -20.798 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.537 -0.147 -18.531 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.795 -0.008 -18.398 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.236 -2.502 -19.396 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.737 -2.264 -17.733 1.00 0.00 H new ATOM 0 HE1 MET A 50 15.963 -2.466 -17.703 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.412 -1.674 -17.040 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.507 -0.906 -18.366 1.00 0.00 H new ATOM 760 N GLU A 51 20.678 2.073 -20.771 1.00 0.00 N ATOM 761 CA GLU A 51 20.789 3.470 -21.220 1.00 0.00 C ATOM 762 C GLU A 51 20.222 3.669 -22.643 1.00 0.00 C ATOM 763 O GLU A 51 19.536 4.660 -22.896 1.00 0.00 O ATOM 764 CB GLU A 51 22.259 3.912 -21.122 1.00 0.00 C ATOM 765 CG GLU A 51 22.517 5.333 -21.627 1.00 0.00 C ATOM 766 CD GLU A 51 23.969 5.767 -21.340 1.00 0.00 C ATOM 767 OE1 GLU A 51 24.886 5.378 -22.104 1.00 0.00 O ATOM 768 OE2 GLU A 51 24.204 6.518 -20.362 1.00 0.00 O ATOM 0 H GLU A 51 21.574 1.648 -20.533 1.00 0.00 H new ATOM 0 HA GLU A 51 20.183 4.099 -20.568 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.580 3.843 -20.083 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.875 3.217 -21.693 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.324 5.382 -22.699 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.825 6.025 -21.146 1.00 0.00 H new ATOM 775 N GLU A 52 20.410 2.692 -23.542 1.00 0.00 N ATOM 776 CA GLU A 52 19.796 2.666 -24.886 1.00 0.00 C ATOM 777 C GLU A 52 18.258 2.792 -24.868 1.00 0.00 C ATOM 778 O GLU A 52 17.680 3.356 -25.802 1.00 0.00 O ATOM 779 CB GLU A 52 20.163 1.351 -25.594 1.00 0.00 C ATOM 780 CG GLU A 52 21.576 1.354 -26.193 1.00 0.00 C ATOM 781 CD GLU A 52 21.974 -0.001 -26.812 1.00 0.00 C ATOM 782 OE1 GLU A 52 21.169 -0.967 -26.816 1.00 0.00 O ATOM 783 OE2 GLU A 52 23.112 -0.114 -27.321 1.00 0.00 O ATOM 0 H GLU A 52 21.002 1.882 -23.357 1.00 0.00 H new ATOM 0 HA GLU A 52 20.189 3.534 -25.415 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.080 0.529 -24.883 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.441 1.161 -26.388 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.638 2.128 -26.958 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.293 1.616 -25.415 1.00 0.00 H new ATOM 790 N VAL A 53 17.595 2.301 -23.810 1.00 0.00 N ATOM 791 CA VAL A 53 16.128 2.387 -23.609 1.00 0.00 C ATOM 792 C VAL A 53 15.695 3.440 -22.567 1.00 0.00 C ATOM 793 O VAL A 53 14.547 3.436 -22.120 1.00 0.00 O ATOM 794 CB VAL A 53 15.504 0.995 -23.362 1.00 0.00 C ATOM 795 CG1 VAL A 53 15.606 0.127 -24.619 1.00 0.00 C ATOM 796 CG2 VAL A 53 16.178 0.243 -22.211 1.00 0.00 C ATOM 0 H VAL A 53 18.070 1.819 -23.047 1.00 0.00 H new ATOM 0 HA VAL A 53 15.719 2.758 -24.548 1.00 0.00 H new ATOM 0 HB VAL A 53 14.461 1.175 -23.100 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.161 -0.849 -24.424 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.075 0.611 -25.439 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.654 0.000 -24.890 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.700 -0.728 -22.082 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.234 0.100 -22.439 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.080 0.821 -21.292 1.00 0.00 H new ATOM 806 N GLY A 54 16.586 4.369 -22.193 1.00 0.00 N ATOM 807 CA GLY A 54 16.289 5.473 -21.259 1.00 0.00 C ATOM 808 C GLY A 54 16.472 5.135 -19.772 1.00 0.00 C ATOM 809 O GLY A 54 15.967 5.859 -18.913 1.00 0.00 O ATOM 0 H GLY A 54 17.547 4.378 -22.533 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.931 6.319 -21.505 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.260 5.796 -21.418 1.00 0.00 H new ATOM 813 N ILE A 55 17.163 4.033 -19.461 1.00 0.00 N ATOM 814 CA ILE A 55 17.263 3.428 -18.124 1.00 0.00 C ATOM 815 C ILE A 55 18.743 3.294 -17.732 1.00 0.00 C ATOM 816 O ILE A 55 19.316 2.212 -17.743 1.00 0.00 O ATOM 817 CB ILE A 55 16.497 2.079 -18.101 1.00 0.00 C ATOM 818 CG1 ILE A 55 15.049 2.208 -18.636 1.00 0.00 C ATOM 819 CG2 ILE A 55 16.460 1.500 -16.673 1.00 0.00 C ATOM 820 CD1 ILE A 55 14.312 0.883 -18.837 1.00 0.00 C ATOM 0 H ILE A 55 17.691 3.514 -20.163 1.00 0.00 H new ATOM 0 HA ILE A 55 16.793 4.066 -17.376 1.00 0.00 H new ATOM 0 HB ILE A 55 17.040 1.405 -18.763 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.475 2.824 -17.943 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.076 2.739 -19.587 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.919 0.554 -16.678 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.478 1.333 -16.321 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.957 2.203 -16.008 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.308 1.079 -19.213 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.856 0.270 -19.555 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.246 0.355 -17.886 1.00 0.00 H new ATOM 832 N ASP A 56 19.407 4.394 -17.383 1.00 0.00 N ATOM 833 CA ASP A 56 20.768 4.324 -16.836 1.00 0.00 C ATOM 834 C ASP A 56 20.761 3.632 -15.455 1.00 0.00 C ATOM 835 O ASP A 56 20.301 4.217 -14.469 1.00 0.00 O ATOM 836 CB ASP A 56 21.364 5.741 -16.781 1.00 0.00 C ATOM 837 CG ASP A 56 22.745 5.798 -16.102 1.00 0.00 C ATOM 838 OD1 ASP A 56 23.394 4.739 -15.920 1.00 0.00 O ATOM 839 OD2 ASP A 56 23.178 6.911 -15.724 1.00 0.00 O ATOM 0 H ASP A 56 19.032 5.339 -17.467 1.00 0.00 H new ATOM 0 HA ASP A 56 21.401 3.718 -17.484 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.450 6.131 -17.795 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.677 6.396 -16.245 1.00 0.00 H new ATOM 844 N ILE A 57 21.273 2.390 -15.366 1.00 0.00 N ATOM 845 CA ILE A 57 21.349 1.639 -14.099 1.00 0.00 C ATOM 846 C ILE A 57 22.627 1.939 -13.306 1.00 0.00 C ATOM 847 O ILE A 57 22.817 1.375 -12.238 1.00 0.00 O ATOM 848 CB ILE A 57 21.153 0.111 -14.283 1.00 0.00 C ATOM 849 CG1 ILE A 57 22.285 -0.561 -15.101 1.00 0.00 C ATOM 850 CG2 ILE A 57 19.779 -0.211 -14.900 1.00 0.00 C ATOM 851 CD1 ILE A 57 22.763 -1.884 -14.483 1.00 0.00 C ATOM 0 H ILE A 57 21.644 1.880 -16.168 1.00 0.00 H new ATOM 0 HA ILE A 57 20.507 1.999 -13.507 1.00 0.00 H new ATOM 0 HB ILE A 57 21.197 -0.313 -13.280 1.00 0.00 H new ATOM 0 HG12 ILE A 57 21.933 -0.746 -16.116 1.00 0.00 H new ATOM 0 HG13 ILE A 57 23.129 0.125 -15.176 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.676 -1.290 -15.015 1.00 0.00 H new ATOM 0 HG22 ILE A 57 18.990 0.162 -14.246 1.00 0.00 H new ATOM 0 HG23 ILE A 57 19.697 0.267 -15.876 1.00 0.00 H new ATOM 0 HD11 ILE A 57 23.556 -2.308 -15.099 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.144 -1.700 -13.478 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.929 -2.584 -14.432 1.00 0.00 H new ATOM 863 N SER A 58 23.530 2.797 -13.791 1.00 0.00 N ATOM 864 CA SER A 58 24.864 2.953 -13.182 1.00 0.00 C ATOM 865 C SER A 58 24.857 3.582 -11.774 1.00 0.00 C ATOM 866 O SER A 58 25.751 3.311 -10.974 1.00 0.00 O ATOM 867 CB SER A 58 25.797 3.719 -14.111 1.00 0.00 C ATOM 868 OG SER A 58 25.376 5.050 -14.310 1.00 0.00 O ATOM 0 H SER A 58 23.367 3.395 -14.601 1.00 0.00 H new ATOM 0 HA SER A 58 25.238 1.939 -13.044 1.00 0.00 H new ATOM 0 HB2 SER A 58 26.804 3.717 -13.694 1.00 0.00 H new ATOM 0 HB3 SER A 58 25.849 3.209 -15.073 1.00 0.00 H new ATOM 0 HG SER A 58 24.846 5.106 -15.133 1.00 0.00 H new ATOM 874 N GLY A 59 23.822 4.366 -11.445 1.00 0.00 N ATOM 875 CA GLY A 59 23.541 4.887 -10.095 1.00 0.00 C ATOM 876 C GLY A 59 22.521 4.062 -9.287 1.00 0.00 C ATOM 877 O GLY A 59 22.105 4.489 -8.208 1.00 0.00 O ATOM 0 H GLY A 59 23.132 4.667 -12.133 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.476 4.933 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.173 5.909 -10.184 1.00 0.00 H new ATOM 881 N GLN A 60 22.080 2.908 -9.806 1.00 0.00 N ATOM 882 CA GLN A 60 21.003 2.088 -9.230 1.00 0.00 C ATOM 883 C GLN A 60 21.511 1.186 -8.087 1.00 0.00 C ATOM 884 O GLN A 60 22.649 0.708 -8.119 1.00 0.00 O ATOM 885 CB GLN A 60 20.358 1.280 -10.370 1.00 0.00 C ATOM 886 CG GLN A 60 19.011 0.644 -9.987 1.00 0.00 C ATOM 887 CD GLN A 60 18.384 -0.096 -11.163 1.00 0.00 C ATOM 888 OE1 GLN A 60 18.875 -1.118 -11.608 1.00 0.00 O ATOM 889 NE2 GLN A 60 17.302 0.395 -11.738 1.00 0.00 N ATOM 0 H GLN A 60 22.471 2.508 -10.659 1.00 0.00 H new ATOM 0 HA GLN A 60 20.253 2.733 -8.773 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.210 1.934 -11.229 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.046 0.494 -10.682 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.158 -0.048 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.328 1.419 -9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.877 1.250 -11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.891 -0.081 -12.541 1.00 0.00 H new ATOM 898 N THR A 61 20.664 0.911 -7.086 1.00 0.00 N ATOM 899 CA THR A 61 21.026 0.035 -5.951 1.00 0.00 C ATOM 900 C THR A 61 21.179 -1.426 -6.376 1.00 0.00 C ATOM 901 O THR A 61 20.597 -1.856 -7.375 1.00 0.00 O ATOM 902 CB THR A 61 20.036 0.167 -4.782 1.00 0.00 C ATOM 903 OG1 THR A 61 20.606 -0.416 -3.630 1.00 0.00 O ATOM 904 CG2 THR A 61 18.672 -0.486 -5.017 1.00 0.00 C ATOM 0 H THR A 61 19.716 1.283 -7.035 1.00 0.00 H new ATOM 0 HA THR A 61 21.999 0.377 -5.599 1.00 0.00 H new ATOM 0 HB THR A 61 19.855 1.236 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 61 19.982 -0.335 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 61 18.043 -0.341 -4.139 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.195 -0.030 -5.884 1.00 0.00 H new ATOM 0 HG23 THR A 61 18.805 -1.553 -5.195 1.00 0.00 H new ATOM 912 N SER A 62 21.948 -2.207 -5.616 1.00 0.00 N ATOM 913 CA SER A 62 22.030 -3.661 -5.766 1.00 0.00 C ATOM 914 C SER A 62 22.003 -4.364 -4.400 1.00 0.00 C ATOM 915 O SER A 62 22.583 -3.850 -3.442 1.00 0.00 O ATOM 916 CB SER A 62 23.287 -4.049 -6.543 1.00 0.00 C ATOM 917 OG SER A 62 23.095 -5.347 -7.071 1.00 0.00 O ATOM 0 H SER A 62 22.539 -1.843 -4.869 1.00 0.00 H new ATOM 0 HA SER A 62 21.156 -3.989 -6.329 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.474 -3.336 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.159 -4.029 -5.890 1.00 0.00 H new ATOM 0 HG SER A 62 23.962 -5.793 -7.166 1.00 0.00 H new ATOM 923 N ASP A 63 21.342 -5.526 -4.289 1.00 0.00 N ATOM 924 CA ASP A 63 21.099 -6.203 -3.000 1.00 0.00 C ATOM 925 C ASP A 63 21.229 -7.745 -3.085 1.00 0.00 C ATOM 926 O ASP A 63 20.822 -8.324 -4.096 1.00 0.00 O ATOM 927 CB ASP A 63 19.712 -5.801 -2.470 1.00 0.00 C ATOM 928 CG ASP A 63 19.720 -5.682 -0.937 1.00 0.00 C ATOM 929 OD1 ASP A 63 20.134 -4.620 -0.417 1.00 0.00 O ATOM 930 OD2 ASP A 63 19.329 -6.644 -0.241 1.00 0.00 O ATOM 0 H ASP A 63 20.959 -6.026 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 63 21.875 -5.876 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.412 -4.850 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.973 -6.541 -2.777 1.00 0.00 H new ATOM 935 N PRO A 64 21.814 -8.428 -2.077 1.00 0.00 N ATOM 936 CA PRO A 64 21.980 -9.886 -2.058 1.00 0.00 C ATOM 937 C PRO A 64 20.787 -10.621 -1.411 1.00 0.00 C ATOM 938 O PRO A 64 20.086 -10.087 -0.548 1.00 0.00 O ATOM 939 CB PRO A 64 23.267 -10.124 -1.261 1.00 0.00 C ATOM 940 CG PRO A 64 23.191 -9.013 -0.220 1.00 0.00 C ATOM 941 CD PRO A 64 22.598 -7.838 -0.999 1.00 0.00 C ATOM 0 HA PRO A 64 22.031 -10.282 -3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 64 23.289 -11.113 -0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 64 24.157 -10.041 -1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 64 22.561 -9.295 0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 64 24.175 -8.772 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 64 21.973 -7.218 -0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 64 23.384 -7.195 -1.395 1.00 0.00 H new ATOM 949 N ILE A 65 20.611 -11.896 -1.769 1.00 0.00 N ATOM 950 CA ILE A 65 19.427 -12.714 -1.431 1.00 0.00 C ATOM 951 C ILE A 65 19.177 -12.931 0.076 1.00 0.00 C ATOM 952 O ILE A 65 18.046 -13.202 0.471 1.00 0.00 O ATOM 953 CB ILE A 65 19.506 -14.053 -2.203 1.00 0.00 C ATOM 954 CG1 ILE A 65 18.150 -14.767 -2.372 1.00 0.00 C ATOM 955 CG2 ILE A 65 20.514 -15.032 -1.577 1.00 0.00 C ATOM 956 CD1 ILE A 65 17.267 -14.087 -3.422 1.00 0.00 C ATOM 0 H ILE A 65 21.303 -12.408 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 65 18.554 -12.142 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 65 19.849 -13.761 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.321 -15.804 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.628 -14.783 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 65 20.532 -15.956 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.507 -14.583 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.218 -15.252 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.323 -14.625 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.073 -13.057 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.776 -14.094 -4.386 1.00 0.00 H new ATOM 968 N GLU A 66 20.205 -12.810 0.922 1.00 0.00 N ATOM 969 CA GLU A 66 20.079 -12.983 2.383 1.00 0.00 C ATOM 970 C GLU A 66 20.057 -11.656 3.170 1.00 0.00 C ATOM 971 O GLU A 66 19.831 -11.668 4.383 1.00 0.00 O ATOM 972 CB GLU A 66 21.158 -13.945 2.910 1.00 0.00 C ATOM 973 CG GLU A 66 21.027 -15.345 2.297 1.00 0.00 C ATOM 974 CD GLU A 66 21.922 -16.358 3.039 1.00 0.00 C ATOM 975 OE1 GLU A 66 23.121 -16.495 2.686 1.00 0.00 O ATOM 976 OE2 GLU A 66 21.435 -17.034 3.980 1.00 0.00 O ATOM 0 H GLU A 66 21.153 -12.589 0.618 1.00 0.00 H new ATOM 0 HA GLU A 66 19.100 -13.429 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.145 -13.541 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.082 -14.016 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.988 -15.670 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 21.305 -15.312 1.243 1.00 0.00 H new ATOM 983 N ASN A 67 20.259 -10.510 2.503 1.00 0.00 N ATOM 984 CA ASN A 67 20.045 -9.188 3.106 1.00 0.00 C ATOM 985 C ASN A 67 18.586 -8.737 2.932 1.00 0.00 C ATOM 986 O ASN A 67 17.999 -8.171 3.858 1.00 0.00 O ATOM 987 CB ASN A 67 21.013 -8.175 2.492 1.00 0.00 C ATOM 988 CG ASN A 67 20.822 -6.789 3.082 1.00 0.00 C ATOM 989 OD1 ASN A 67 21.199 -6.510 4.211 1.00 0.00 O ATOM 990 ND2 ASN A 67 20.221 -5.890 2.345 1.00 0.00 N ATOM 0 H ASN A 67 20.574 -10.474 1.534 1.00 0.00 H new ATOM 0 HA ASN A 67 20.243 -9.252 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 67 22.039 -8.504 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.863 -8.135 1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 67 20.065 -4.951 2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.909 -6.128 1.404 1.00 0.00 H new ATOM 997 N PHE A 68 17.984 -9.017 1.770 1.00 0.00 N ATOM 998 CA PHE A 68 16.558 -8.807 1.542 1.00 0.00 C ATOM 999 C PHE A 68 15.703 -9.796 2.365 1.00 0.00 C ATOM 1000 O PHE A 68 16.147 -10.897 2.705 1.00 0.00 O ATOM 1001 CB PHE A 68 16.264 -8.825 0.025 1.00 0.00 C ATOM 1002 CG PHE A 68 15.223 -9.816 -0.465 1.00 0.00 C ATOM 1003 CD1 PHE A 68 13.854 -9.513 -0.369 1.00 0.00 C ATOM 1004 CD2 PHE A 68 15.624 -11.023 -1.057 1.00 0.00 C ATOM 1005 CE1 PHE A 68 12.897 -10.402 -0.885 1.00 0.00 C ATOM 1006 CE2 PHE A 68 14.667 -11.911 -1.572 1.00 0.00 C ATOM 1007 CZ PHE A 68 13.301 -11.602 -1.493 1.00 0.00 C ATOM 0 H PHE A 68 18.478 -9.396 0.962 1.00 0.00 H new ATOM 0 HA PHE A 68 16.269 -7.821 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 68 15.945 -7.825 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 68 17.198 -9.029 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.537 -8.595 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 68 16.674 -11.270 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.846 -10.162 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.984 -12.836 -2.031 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.565 -12.282 -1.897 1.00 0.00 H new ATOM 1017 N ASN A 69 14.466 -9.393 2.687 1.00 0.00 N ATOM 1018 CA ASN A 69 13.465 -10.233 3.351 1.00 0.00 C ATOM 1019 C ASN A 69 12.086 -10.044 2.697 1.00 0.00 C ATOM 1020 O ASN A 69 11.543 -8.944 2.709 1.00 0.00 O ATOM 1021 CB ASN A 69 13.482 -9.883 4.854 1.00 0.00 C ATOM 1022 CG ASN A 69 12.245 -10.343 5.611 1.00 0.00 C ATOM 1023 OD1 ASN A 69 11.582 -9.573 6.286 1.00 0.00 O ATOM 1024 ND2 ASN A 69 11.880 -11.601 5.505 1.00 0.00 N ATOM 0 H ASN A 69 14.128 -8.452 2.487 1.00 0.00 H new ATOM 0 HA ASN A 69 13.698 -11.292 3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.363 -10.333 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.582 -8.803 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.044 -11.932 5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.433 -12.247 4.941 1.00 0.00 H new ATOM 1031 N ALA A 70 11.484 -11.114 2.166 1.00 0.00 N ATOM 1032 CA ALA A 70 10.264 -11.047 1.343 1.00 0.00 C ATOM 1033 C ALA A 70 8.948 -10.748 2.095 1.00 0.00 C ATOM 1034 O ALA A 70 7.876 -10.811 1.499 1.00 0.00 O ATOM 1035 CB ALA A 70 10.167 -12.331 0.513 1.00 0.00 C ATOM 0 H ALA A 70 11.832 -12.064 2.295 1.00 0.00 H new ATOM 0 HA ALA A 70 10.374 -10.171 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.269 -12.299 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.044 -12.417 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.119 -13.192 1.179 1.00 0.00 H new ATOM 1041 N ASP A 71 9.010 -10.403 3.383 1.00 0.00 N ATOM 1042 CA ASP A 71 7.813 -10.125 4.199 1.00 0.00 C ATOM 1043 C ASP A 71 7.163 -8.772 3.843 1.00 0.00 C ATOM 1044 O ASP A 71 5.944 -8.618 3.939 1.00 0.00 O ATOM 1045 CB ASP A 71 8.195 -10.171 5.684 1.00 0.00 C ATOM 1046 CG ASP A 71 6.961 -10.047 6.596 1.00 0.00 C ATOM 1047 OD1 ASP A 71 6.154 -11.007 6.658 1.00 0.00 O ATOM 1048 OD2 ASP A 71 6.808 -9.002 7.275 1.00 0.00 O ATOM 0 H ASP A 71 9.887 -10.307 3.894 1.00 0.00 H new ATOM 0 HA ASP A 71 7.069 -10.892 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.712 -11.106 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.893 -9.363 5.905 1.00 0.00 H new ATOM 1053 N ASP A 72 7.974 -7.806 3.392 1.00 0.00 N ATOM 1054 CA ASP A 72 7.546 -6.451 3.014 1.00 0.00 C ATOM 1055 C ASP A 72 7.228 -6.298 1.505 1.00 0.00 C ATOM 1056 O ASP A 72 6.797 -5.232 1.060 1.00 0.00 O ATOM 1057 CB ASP A 72 8.633 -5.472 3.479 1.00 0.00 C ATOM 1058 CG ASP A 72 8.160 -4.010 3.571 1.00 0.00 C ATOM 1059 OD1 ASP A 72 7.035 -3.745 4.061 1.00 0.00 O ATOM 1060 OD2 ASP A 72 8.949 -3.102 3.221 1.00 0.00 O ATOM 0 H ASP A 72 8.977 -7.950 3.276 1.00 0.00 H new ATOM 0 HA ASP A 72 6.599 -6.230 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.998 -5.787 4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.476 -5.528 2.791 1.00 0.00 H new ATOM 1065 N TYR A 73 7.440 -7.359 0.711 1.00 0.00 N ATOM 1066 CA TYR A 73 7.344 -7.370 -0.753 1.00 0.00 C ATOM 1067 C TYR A 73 6.363 -8.470 -1.191 1.00 0.00 C ATOM 1068 O TYR A 73 6.751 -9.616 -1.418 1.00 0.00 O ATOM 1069 CB TYR A 73 8.743 -7.546 -1.383 1.00 0.00 C ATOM 1070 CG TYR A 73 9.809 -6.630 -0.815 1.00 0.00 C ATOM 1071 CD1 TYR A 73 10.497 -7.027 0.344 1.00 0.00 C ATOM 1072 CD2 TYR A 73 10.080 -5.376 -1.392 1.00 0.00 C ATOM 1073 CE1 TYR A 73 11.421 -6.170 0.963 1.00 0.00 C ATOM 1074 CE2 TYR A 73 10.983 -4.496 -0.760 1.00 0.00 C ATOM 1075 CZ TYR A 73 11.658 -4.886 0.419 1.00 0.00 C ATOM 1076 OH TYR A 73 12.534 -4.028 1.013 1.00 0.00 O ATOM 0 H TYR A 73 7.694 -8.271 1.090 1.00 0.00 H new ATOM 0 HA TYR A 73 6.957 -6.415 -1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.061 -8.580 -1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.668 -7.373 -2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.313 -8.005 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.599 -5.088 -2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.948 -6.490 1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.160 -3.517 -1.180 1.00 0.00 H new ATOM 0 HH TYR A 73 12.572 -3.193 0.502 1.00 0.00 H new ATOM 1086 N ASP A 74 5.073 -8.126 -1.298 1.00 0.00 N ATOM 1087 CA ASP A 74 3.998 -9.086 -1.612 1.00 0.00 C ATOM 1088 C ASP A 74 4.183 -9.800 -2.966 1.00 0.00 C ATOM 1089 O ASP A 74 3.654 -10.893 -3.171 1.00 0.00 O ATOM 1090 CB ASP A 74 2.646 -8.353 -1.641 1.00 0.00 C ATOM 1091 CG ASP A 74 2.107 -7.942 -0.262 1.00 0.00 C ATOM 1092 OD1 ASP A 74 2.339 -8.655 0.742 1.00 0.00 O ATOM 1093 OD2 ASP A 74 1.392 -6.911 -0.205 1.00 0.00 O ATOM 0 H ASP A 74 4.741 -7.170 -1.169 1.00 0.00 H new ATOM 0 HA ASP A 74 4.032 -9.845 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.746 -7.460 -2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.911 -8.995 -2.126 1.00 0.00 H new ATOM 1098 N VAL A 75 4.918 -9.173 -3.894 1.00 0.00 N ATOM 1099 CA VAL A 75 5.026 -9.590 -5.294 1.00 0.00 C ATOM 1100 C VAL A 75 6.491 -9.874 -5.648 1.00 0.00 C ATOM 1101 O VAL A 75 7.283 -8.947 -5.813 1.00 0.00 O ATOM 1102 CB VAL A 75 4.396 -8.501 -6.187 1.00 0.00 C ATOM 1103 CG1 VAL A 75 4.364 -8.924 -7.654 1.00 0.00 C ATOM 1104 CG2 VAL A 75 2.958 -8.142 -5.777 1.00 0.00 C ATOM 0 H VAL A 75 5.468 -8.340 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 75 4.481 -10.519 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 75 5.034 -7.628 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.913 -8.131 -8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.381 -9.108 -8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.775 -9.835 -7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.571 -7.371 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.328 -9.029 -5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.954 -7.771 -4.752 1.00 0.00 H new ATOM 1114 N VAL A 76 6.870 -11.149 -5.766 1.00 0.00 N ATOM 1115 CA VAL A 76 8.261 -11.593 -5.986 1.00 0.00 C ATOM 1116 C VAL A 76 8.397 -12.289 -7.339 1.00 0.00 C ATOM 1117 O VAL A 76 7.611 -13.170 -7.675 1.00 0.00 O ATOM 1118 CB VAL A 76 8.746 -12.512 -4.848 1.00 0.00 C ATOM 1119 CG1 VAL A 76 10.231 -12.851 -5.022 1.00 0.00 C ATOM 1120 CG2 VAL A 76 8.574 -11.863 -3.469 1.00 0.00 C ATOM 0 H VAL A 76 6.208 -11.923 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 76 8.896 -10.707 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 76 8.135 -13.413 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.554 -13.501 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.379 -13.361 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.818 -11.933 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.929 -12.547 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.150 -10.939 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.520 -11.641 -3.300 1.00 0.00 H new ATOM 1130 N ILE A 77 9.389 -11.897 -8.139 1.00 0.00 N ATOM 1131 CA ILE A 77 9.570 -12.385 -9.512 1.00 0.00 C ATOM 1132 C ILE A 77 10.917 -13.087 -9.642 1.00 0.00 C ATOM 1133 O ILE A 77 11.953 -12.480 -9.398 1.00 0.00 O ATOM 1134 CB ILE A 77 9.489 -11.223 -10.532 1.00 0.00 C ATOM 1135 CG1 ILE A 77 8.098 -10.590 -10.729 1.00 0.00 C ATOM 1136 CG2 ILE A 77 9.920 -11.692 -11.931 1.00 0.00 C ATOM 1137 CD1 ILE A 77 7.487 -9.945 -9.489 1.00 0.00 C ATOM 0 H ILE A 77 10.099 -11.224 -7.851 1.00 0.00 H new ATOM 0 HA ILE A 77 8.768 -13.090 -9.728 1.00 0.00 H new ATOM 0 HB ILE A 77 10.150 -10.476 -10.093 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.170 -9.835 -11.512 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.416 -11.360 -11.090 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.855 -10.858 -12.630 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.947 -12.054 -11.893 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.264 -12.497 -12.263 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.510 -9.531 -9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.374 -10.695 -8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.140 -9.147 -9.135 1.00 0.00 H new ATOM 1149 N SER A 78 10.906 -14.333 -10.103 1.00 0.00 N ATOM 1150 CA SER A 78 12.096 -15.071 -10.514 1.00 0.00 C ATOM 1151 C SER A 78 12.408 -14.738 -11.973 1.00 0.00 C ATOM 1152 O SER A 78 11.571 -14.895 -12.862 1.00 0.00 O ATOM 1153 CB SER A 78 11.857 -16.566 -10.328 1.00 0.00 C ATOM 1154 OG SER A 78 12.847 -17.322 -10.983 1.00 0.00 O ATOM 0 H SER A 78 10.046 -14.872 -10.204 1.00 0.00 H new ATOM 0 HA SER A 78 12.951 -14.785 -9.901 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.854 -16.808 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.874 -16.832 -10.718 1.00 0.00 H new ATOM 0 HG SER A 78 12.426 -17.904 -11.650 1.00 0.00 H new ATOM 1160 N LEU A 79 13.628 -14.276 -12.227 1.00 0.00 N ATOM 1161 CA LEU A 79 14.160 -13.886 -13.532 1.00 0.00 C ATOM 1162 C LEU A 79 15.246 -14.866 -13.983 1.00 0.00 C ATOM 1163 O LEU A 79 16.263 -14.447 -14.521 1.00 0.00 O ATOM 1164 CB LEU A 79 14.655 -12.423 -13.449 1.00 0.00 C ATOM 1165 CG LEU A 79 13.608 -11.348 -13.138 1.00 0.00 C ATOM 1166 CD1 LEU A 79 14.300 -9.996 -13.192 1.00 0.00 C ATOM 1167 CD2 LEU A 79 12.505 -11.313 -14.173 1.00 0.00 C ATOM 0 H LEU A 79 14.315 -14.156 -11.483 1.00 0.00 H new ATOM 0 HA LEU A 79 13.382 -13.932 -14.294 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.430 -12.371 -12.685 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.127 -12.171 -14.399 1.00 0.00 H new ATOM 0 HG LEU A 79 13.175 -11.571 -12.163 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.578 -9.209 -12.974 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.101 -9.968 -12.454 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.717 -9.840 -14.187 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.786 -10.537 -13.912 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.932 -11.098 -15.153 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.001 -12.279 -14.201 1.00 0.00 H new ATOM 1179 N CYS A 80 15.086 -16.160 -13.712 1.00 0.00 N ATOM 1180 CA CYS A 80 16.092 -17.182 -14.014 1.00 0.00 C ATOM 1181 C CYS A 80 15.470 -18.550 -14.333 1.00 0.00 C ATOM 1182 O CYS A 80 14.549 -18.976 -13.644 1.00 0.00 O ATOM 1183 CB CYS A 80 16.988 -17.355 -12.770 1.00 0.00 C ATOM 1184 SG CYS A 80 18.565 -18.218 -13.059 1.00 0.00 S ATOM 0 H CYS A 80 14.246 -16.535 -13.272 1.00 0.00 H new ATOM 0 HA CYS A 80 16.648 -16.850 -14.891 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.203 -16.369 -12.358 1.00 0.00 H new ATOM 0 HB3 CYS A 80 16.427 -17.902 -12.012 1.00 0.00 H new ATOM 1189 N GLY A 81 16.040 -19.300 -15.284 1.00 0.00 N ATOM 1190 CA GLY A 81 15.677 -20.718 -15.488 1.00 0.00 C ATOM 1191 C GLY A 81 16.022 -21.575 -14.247 1.00 0.00 C ATOM 1192 O GLY A 81 15.382 -22.589 -13.973 1.00 0.00 O ATOM 0 H GLY A 81 16.753 -18.955 -15.926 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.611 -20.795 -15.700 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.204 -21.108 -16.359 1.00 0.00 H new ATOM 1196 N CYS A 82 16.978 -21.096 -13.435 1.00 0.00 N ATOM 1197 CA CYS A 82 17.356 -21.604 -12.110 1.00 0.00 C ATOM 1198 C CYS A 82 16.357 -21.300 -10.967 1.00 0.00 C ATOM 1199 O CYS A 82 16.650 -21.610 -9.814 1.00 0.00 O ATOM 1200 CB CYS A 82 18.758 -21.056 -11.771 1.00 0.00 C ATOM 1201 SG CYS A 82 18.916 -19.284 -11.351 1.00 0.00 S ATOM 0 H CYS A 82 17.543 -20.291 -13.706 1.00 0.00 H new ATOM 0 HA CYS A 82 17.349 -22.692 -12.178 1.00 0.00 H new ATOM 0 HB2 CYS A 82 19.147 -21.633 -10.932 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.408 -21.255 -12.623 1.00 0.00 H new ATOM 1206 N GLY A 83 15.198 -20.685 -11.236 1.00 0.00 N ATOM 1207 CA GLY A 83 14.269 -20.152 -10.223 1.00 0.00 C ATOM 1208 C GLY A 83 13.780 -21.135 -9.149 1.00 0.00 C ATOM 1209 O GLY A 83 13.513 -20.730 -8.018 1.00 0.00 O ATOM 0 H GLY A 83 14.869 -20.539 -12.190 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.756 -19.315 -9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.397 -19.751 -10.739 1.00 0.00 H new ATOM 1213 N VAL A 84 13.752 -22.438 -9.452 1.00 0.00 N ATOM 1214 CA VAL A 84 13.433 -23.504 -8.474 1.00 0.00 C ATOM 1215 C VAL A 84 14.437 -23.604 -7.309 1.00 0.00 C ATOM 1216 O VAL A 84 14.122 -24.202 -6.280 1.00 0.00 O ATOM 1217 CB VAL A 84 13.291 -24.880 -9.162 1.00 0.00 C ATOM 1218 CG1 VAL A 84 12.118 -24.884 -10.150 1.00 0.00 C ATOM 1219 CG2 VAL A 84 14.558 -25.320 -9.911 1.00 0.00 C ATOM 0 H VAL A 84 13.950 -22.793 -10.387 1.00 0.00 H new ATOM 0 HA VAL A 84 12.476 -23.212 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 84 13.112 -25.589 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.041 -25.865 -10.620 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.193 -24.663 -9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.285 -24.127 -10.916 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.389 -26.294 -10.370 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.795 -24.590 -10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.390 -25.389 -9.210 1.00 0.00 H new ATOM 1229 N ASN A 85 15.629 -23.003 -7.438 1.00 0.00 N ATOM 1230 CA ASN A 85 16.678 -22.985 -6.413 1.00 0.00 C ATOM 1231 C ASN A 85 16.560 -21.804 -5.415 1.00 0.00 C ATOM 1232 O ASN A 85 17.392 -21.677 -4.514 1.00 0.00 O ATOM 1233 CB ASN A 85 18.039 -23.016 -7.141 1.00 0.00 C ATOM 1234 CG ASN A 85 19.208 -23.411 -6.242 1.00 0.00 C ATOM 1235 OD1 ASN A 85 19.088 -24.203 -5.316 1.00 0.00 O ATOM 1236 ND2 ASN A 85 20.395 -22.914 -6.520 1.00 0.00 N ATOM 0 H ASN A 85 15.896 -22.501 -8.285 1.00 0.00 H new ATOM 0 HA ASN A 85 16.569 -23.864 -5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 85 17.980 -23.717 -7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 85 18.236 -22.032 -7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 85 21.206 -23.189 -5.966 1.00 0.00 H new ATOM 0 HD22 ASN A 85 20.504 -22.254 -7.290 1.00 0.00 H new ATOM 1243 N LEU A 86 15.558 -20.921 -5.557 1.00 0.00 N ATOM 1244 CA LEU A 86 15.323 -19.818 -4.610 1.00 0.00 C ATOM 1245 C LEU A 86 14.858 -20.324 -3.223 1.00 0.00 C ATOM 1246 O LEU A 86 14.218 -21.379 -3.146 1.00 0.00 O ATOM 1247 CB LEU A 86 14.301 -18.816 -5.187 1.00 0.00 C ATOM 1248 CG LEU A 86 14.766 -18.001 -6.408 1.00 0.00 C ATOM 1249 CD1 LEU A 86 13.658 -17.024 -6.801 1.00 0.00 C ATOM 1250 CD2 LEU A 86 16.031 -17.188 -6.126 1.00 0.00 C ATOM 0 H LEU A 86 14.891 -20.951 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 86 16.277 -19.311 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.401 -19.365 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 86 14.019 -18.120 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 86 14.987 -18.711 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.977 -16.441 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.755 -17.580 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.452 -16.353 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.314 -16.633 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.841 -16.490 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.841 -17.861 -5.845 1.00 0.00 H new ATOM 1262 N PRO A 87 15.122 -19.578 -2.125 1.00 0.00 N ATOM 1263 CA PRO A 87 14.663 -19.943 -0.782 1.00 0.00 C ATOM 1264 C PRO A 87 13.127 -20.036 -0.708 1.00 0.00 C ATOM 1265 O PRO A 87 12.448 -19.132 -1.210 1.00 0.00 O ATOM 1266 CB PRO A 87 15.206 -18.858 0.158 1.00 0.00 C ATOM 1267 CG PRO A 87 16.420 -18.318 -0.592 1.00 0.00 C ATOM 1268 CD PRO A 87 15.965 -18.391 -2.048 1.00 0.00 C ATOM 0 HA PRO A 87 15.027 -20.931 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.467 -18.078 0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.483 -19.269 1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.662 -17.298 -0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.310 -18.922 -0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.412 -17.496 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.817 -18.468 -2.724 1.00 0.00 H new ATOM 1276 N PRO A 88 12.543 -21.082 -0.085 1.00 0.00 N ATOM 1277 CA PRO A 88 11.092 -21.282 -0.076 1.00 0.00 C ATOM 1278 C PRO A 88 10.320 -20.143 0.604 1.00 0.00 C ATOM 1279 O PRO A 88 9.218 -19.821 0.164 1.00 0.00 O ATOM 1280 CB PRO A 88 10.866 -22.637 0.607 1.00 0.00 C ATOM 1281 CG PRO A 88 12.129 -22.853 1.437 1.00 0.00 C ATOM 1282 CD PRO A 88 13.208 -22.188 0.584 1.00 0.00 C ATOM 0 HA PRO A 88 10.700 -21.277 -1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.975 -22.623 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.729 -23.434 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.050 -22.393 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 88 12.333 -23.912 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.034 -21.835 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 88 13.626 -22.890 -0.138 1.00 0.00 H new ATOM 1290 N GLU A 89 10.884 -19.449 1.597 1.00 0.00 N ATOM 1291 CA GLU A 89 10.262 -18.254 2.191 1.00 0.00 C ATOM 1292 C GLU A 89 10.178 -17.063 1.213 1.00 0.00 C ATOM 1293 O GLU A 89 9.222 -16.288 1.272 1.00 0.00 O ATOM 1294 CB GLU A 89 10.938 -17.862 3.520 1.00 0.00 C ATOM 1295 CG GLU A 89 12.465 -17.686 3.486 1.00 0.00 C ATOM 1296 CD GLU A 89 13.195 -18.998 3.831 1.00 0.00 C ATOM 1297 OE1 GLU A 89 13.369 -19.845 2.924 1.00 0.00 O ATOM 1298 OE2 GLU A 89 13.583 -19.193 5.011 1.00 0.00 O ATOM 0 H GLU A 89 11.782 -19.696 2.013 1.00 0.00 H new ATOM 0 HA GLU A 89 9.231 -18.528 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.494 -16.928 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.699 -18.623 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.771 -17.348 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.758 -16.909 4.192 1.00 0.00 H new ATOM 1305 N TRP A 90 11.121 -16.924 0.269 1.00 0.00 N ATOM 1306 CA TRP A 90 11.072 -15.899 -0.785 1.00 0.00 C ATOM 1307 C TRP A 90 10.110 -16.274 -1.935 1.00 0.00 C ATOM 1308 O TRP A 90 9.626 -15.393 -2.643 1.00 0.00 O ATOM 1309 CB TRP A 90 12.500 -15.593 -1.259 1.00 0.00 C ATOM 1310 CG TRP A 90 13.507 -15.132 -0.230 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.832 -15.055 -0.483 1.00 0.00 C ATOM 1312 CD2 TRP A 90 13.360 -14.693 1.173 1.00 0.00 C ATOM 1313 NE1 TRP A 90 15.502 -14.585 0.621 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.659 -14.389 1.683 1.00 0.00 C ATOM 1315 CE3 TRP A 90 12.292 -14.532 2.092 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.895 -14.001 3.009 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 12.516 -14.187 3.439 1.00 0.00 C ATOM 1318 CH2 TRP A 90 13.818 -13.937 3.905 1.00 0.00 C ATOM 0 H TRP A 90 11.944 -17.523 0.215 1.00 0.00 H new ATOM 0 HA TRP A 90 10.650 -14.984 -0.369 1.00 0.00 H new ATOM 0 HB2 TRP A 90 12.894 -16.492 -1.732 1.00 0.00 H new ATOM 0 HB3 TRP A 90 12.438 -14.827 -2.032 1.00 0.00 H new ATOM 0 HD1 TRP A 90 15.298 -15.324 -1.419 1.00 0.00 H new ATOM 0 HE1 TRP A 90 16.505 -14.404 0.647 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.278 -14.678 1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.894 -13.754 3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.680 -14.114 4.119 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.988 -13.698 4.944 1.00 0.00 H new ATOM 1329 N VAL A 91 9.774 -17.563 -2.082 1.00 0.00 N ATOM 1330 CA VAL A 91 8.795 -18.094 -3.047 1.00 0.00 C ATOM 1331 C VAL A 91 7.362 -18.068 -2.491 1.00 0.00 C ATOM 1332 O VAL A 91 6.423 -17.750 -3.217 1.00 0.00 O ATOM 1333 CB VAL A 91 9.203 -19.528 -3.459 1.00 0.00 C ATOM 1334 CG1 VAL A 91 8.163 -20.232 -4.335 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.536 -19.520 -4.220 1.00 0.00 C ATOM 0 H VAL A 91 10.193 -18.296 -1.509 1.00 0.00 H new ATOM 0 HA VAL A 91 8.800 -17.450 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 91 9.290 -20.080 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.516 -21.232 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.220 -20.305 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.012 -19.661 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.802 -20.540 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.438 -18.912 -5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.316 -19.103 -3.583 1.00 0.00 H new ATOM 1345 N THR A 92 7.161 -18.366 -1.204 1.00 0.00 N ATOM 1346 CA THR A 92 5.826 -18.539 -0.578 1.00 0.00 C ATOM 1347 C THR A 92 5.193 -17.214 -0.113 1.00 0.00 C ATOM 1348 O THR A 92 4.769 -17.054 1.032 1.00 0.00 O ATOM 1349 CB THR A 92 5.840 -19.637 0.508 1.00 0.00 C ATOM 1350 OG1 THR A 92 6.863 -19.436 1.462 1.00 0.00 O ATOM 1351 CG2 THR A 92 6.061 -21.018 -0.118 1.00 0.00 C ATOM 0 H THR A 92 7.930 -18.498 -0.547 1.00 0.00 H new ATOM 0 HA THR A 92 5.158 -18.896 -1.362 1.00 0.00 H new ATOM 0 HB THR A 92 4.870 -19.583 1.001 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.733 -19.629 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.067 -21.776 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.257 -21.231 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.016 -21.031 -0.643 1.00 0.00 H new ATOM 1359 N GLN A 93 5.128 -16.244 -1.031 1.00 0.00 N ATOM 1360 CA GLN A 93 4.503 -14.920 -0.860 1.00 0.00 C ATOM 1361 C GLN A 93 3.225 -14.766 -1.698 1.00 0.00 C ATOM 1362 O GLN A 93 2.891 -15.634 -2.506 1.00 0.00 O ATOM 1363 CB GLN A 93 5.543 -13.820 -1.159 1.00 0.00 C ATOM 1364 CG GLN A 93 6.779 -13.888 -0.243 1.00 0.00 C ATOM 1365 CD GLN A 93 6.451 -13.791 1.253 1.00 0.00 C ATOM 1366 OE1 GLN A 93 5.495 -13.152 1.679 1.00 0.00 O ATOM 1367 NE2 GLN A 93 7.221 -14.430 2.110 1.00 0.00 N ATOM 0 H GLN A 93 5.529 -16.363 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 93 4.181 -14.817 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.863 -13.905 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.071 -12.844 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.306 -14.824 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.461 -13.080 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.021 -14.967 1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.017 -14.388 3.109 1.00 0.00 H new ATOM 1376 N GLU A 94 2.494 -13.667 -1.475 1.00 0.00 N ATOM 1377 CA GLU A 94 1.144 -13.444 -2.013 1.00 0.00 C ATOM 1378 C GLU A 94 1.068 -13.622 -3.542 1.00 0.00 C ATOM 1379 O GLU A 94 0.147 -14.274 -4.044 1.00 0.00 O ATOM 1380 CB GLU A 94 0.678 -12.040 -1.596 1.00 0.00 C ATOM 1381 CG GLU A 94 -0.811 -11.860 -1.865 1.00 0.00 C ATOM 1382 CD GLU A 94 -1.288 -10.456 -1.450 1.00 0.00 C ATOM 1383 OE1 GLU A 94 -1.056 -9.484 -2.209 1.00 0.00 O ATOM 1384 OE2 GLU A 94 -1.901 -10.309 -0.365 1.00 0.00 O ATOM 0 H GLU A 94 2.830 -12.891 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 94 0.481 -14.202 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.882 -11.884 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.244 -11.287 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.013 -12.017 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.376 -12.615 -1.318 1.00 0.00 H new ATOM 1391 N ILE A 95 2.063 -13.101 -4.271 1.00 0.00 N ATOM 1392 CA ILE A 95 2.277 -13.354 -5.699 1.00 0.00 C ATOM 1393 C ILE A 95 3.742 -13.753 -5.915 1.00 0.00 C ATOM 1394 O ILE A 95 4.654 -12.986 -5.603 1.00 0.00 O ATOM 1395 CB ILE A 95 1.885 -12.130 -6.568 1.00 0.00 C ATOM 1396 CG1 ILE A 95 0.385 -11.782 -6.406 1.00 0.00 C ATOM 1397 CG2 ILE A 95 2.231 -12.394 -8.047 1.00 0.00 C ATOM 1398 CD1 ILE A 95 -0.112 -10.604 -7.258 1.00 0.00 C ATOM 0 H ILE A 95 2.761 -12.474 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 95 1.629 -14.171 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 95 2.460 -11.270 -6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.205 -12.664 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.193 -11.557 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.951 -11.528 -8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.302 -12.572 -8.144 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.685 -13.270 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.174 -10.442 -7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.444 -9.704 -6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.041 -10.829 -8.314 1.00 0.00 H new ATOM 1410 N PHE A 96 3.962 -14.935 -6.491 1.00 0.00 N ATOM 1411 CA PHE A 96 5.272 -15.370 -6.978 1.00 0.00 C ATOM 1412 C PHE A 96 5.168 -15.705 -8.475 1.00 0.00 C ATOM 1413 O PHE A 96 4.240 -16.396 -8.899 1.00 0.00 O ATOM 1414 CB PHE A 96 5.862 -16.506 -6.135 1.00 0.00 C ATOM 1415 CG PHE A 96 7.169 -17.039 -6.695 1.00 0.00 C ATOM 1416 CD1 PHE A 96 8.378 -16.372 -6.420 1.00 0.00 C ATOM 1417 CD2 PHE A 96 7.178 -18.180 -7.518 1.00 0.00 C ATOM 1418 CE1 PHE A 96 9.589 -16.849 -6.955 1.00 0.00 C ATOM 1419 CE2 PHE A 96 8.387 -18.657 -8.056 1.00 0.00 C ATOM 1420 CZ PHE A 96 9.595 -17.996 -7.770 1.00 0.00 C ATOM 0 H PHE A 96 3.226 -15.627 -6.634 1.00 0.00 H new ATOM 0 HA PHE A 96 5.985 -14.553 -6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.027 -16.150 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.140 -17.320 -6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.376 -15.491 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.253 -18.692 -7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.514 -16.335 -6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.388 -19.532 -8.689 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.525 -18.368 -8.175 1.00 0.00 H new ATOM 1430 N GLU A 97 6.106 -15.199 -9.272 1.00 0.00 N ATOM 1431 CA GLU A 97 6.141 -15.343 -10.736 1.00 0.00 C ATOM 1432 C GLU A 97 7.501 -15.879 -11.208 1.00 0.00 C ATOM 1433 O GLU A 97 8.508 -15.658 -10.542 1.00 0.00 O ATOM 1434 CB GLU A 97 5.814 -13.988 -11.400 1.00 0.00 C ATOM 1435 CG GLU A 97 4.619 -14.054 -12.356 1.00 0.00 C ATOM 1436 CD GLU A 97 4.946 -14.849 -13.634 1.00 0.00 C ATOM 1437 OE1 GLU A 97 4.944 -16.103 -13.590 1.00 0.00 O ATOM 1438 OE2 GLU A 97 5.217 -14.214 -14.678 1.00 0.00 O ATOM 0 H GLU A 97 6.892 -14.658 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 97 5.386 -16.071 -11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.609 -13.251 -10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.690 -13.639 -11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.773 -14.517 -11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.314 -13.043 -12.626 1.00 0.00 H new ATOM 1445 N ASP A 98 7.559 -16.532 -12.372 1.00 0.00 N ATOM 1446 CA ASP A 98 8.814 -16.998 -12.979 1.00 0.00 C ATOM 1447 C ASP A 98 8.864 -16.708 -14.489 1.00 0.00 C ATOM 1448 O ASP A 98 8.030 -17.184 -15.265 1.00 0.00 O ATOM 1449 CB ASP A 98 9.052 -18.485 -12.697 1.00 0.00 C ATOM 1450 CG ASP A 98 10.519 -18.851 -12.974 1.00 0.00 C ATOM 1451 OD1 ASP A 98 10.933 -18.804 -14.155 1.00 0.00 O ATOM 1452 OD2 ASP A 98 11.259 -19.144 -12.005 1.00 0.00 O ATOM 0 H ASP A 98 6.732 -16.755 -12.925 1.00 0.00 H new ATOM 0 HA ASP A 98 9.622 -16.434 -12.513 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.803 -18.710 -11.660 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.395 -19.090 -13.321 1.00 0.00 H new ATOM 1457 N TRP A 99 9.851 -15.904 -14.899 1.00 0.00 N ATOM 1458 CA TRP A 99 10.019 -15.422 -16.273 1.00 0.00 C ATOM 1459 C TRP A 99 11.036 -16.241 -17.086 1.00 0.00 C ATOM 1460 O TRP A 99 11.283 -15.901 -18.239 1.00 0.00 O ATOM 1461 CB TRP A 99 10.358 -13.922 -16.244 1.00 0.00 C ATOM 1462 CG TRP A 99 9.352 -12.982 -15.630 1.00 0.00 C ATOM 1463 CD1 TRP A 99 8.209 -13.306 -14.978 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.407 -11.523 -15.579 1.00 0.00 C ATOM 1465 NE1 TRP A 99 7.583 -12.165 -14.520 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.319 -11.043 -14.798 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.293 -10.558 -16.095 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.180 -9.698 -14.440 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.193 -9.209 -15.708 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.163 -8.786 -14.848 1.00 0.00 C ATOM 0 H TRP A 99 10.574 -15.562 -14.267 1.00 0.00 H new ATOM 0 HA TRP A 99 9.075 -15.562 -16.799 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.299 -13.802 -15.706 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.534 -13.599 -17.270 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.841 -14.312 -14.837 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.685 -12.158 -14.036 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.058 -10.857 -16.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.331 -9.368 -13.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.913 -8.492 -16.074 1.00 0.00 H new ATOM 0 HH2 TRP A 99 9.130 -7.763 -14.504 1.00 0.00 H new ATOM 1481 N GLN A 100 11.612 -17.315 -16.527 1.00 0.00 N ATOM 1482 CA GLN A 100 12.468 -18.312 -17.199 1.00 0.00 C ATOM 1483 C GLN A 100 13.565 -17.743 -18.131 1.00 0.00 C ATOM 1484 O GLN A 100 13.787 -18.235 -19.237 1.00 0.00 O ATOM 1485 CB GLN A 100 11.624 -19.486 -17.755 1.00 0.00 C ATOM 1486 CG GLN A 100 10.382 -19.175 -18.618 1.00 0.00 C ATOM 1487 CD GLN A 100 10.684 -18.818 -20.075 1.00 0.00 C ATOM 1488 OE1 GLN A 100 10.809 -19.680 -20.938 1.00 0.00 O ATOM 1489 NE2 GLN A 100 10.765 -17.553 -20.434 1.00 0.00 N ATOM 0 H GLN A 100 11.488 -17.526 -15.537 1.00 0.00 H new ATOM 0 HA GLN A 100 13.103 -18.747 -16.427 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.287 -20.115 -18.348 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.293 -20.084 -16.906 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.720 -20.040 -18.601 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.838 -18.348 -18.162 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.664 -16.817 -19.735 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.928 -17.310 -21.411 1.00 0.00 H new ATOM 1498 N LEU A 101 14.254 -16.687 -17.669 1.00 0.00 N ATOM 1499 CA LEU A 101 15.291 -15.968 -18.425 1.00 0.00 C ATOM 1500 C LEU A 101 16.690 -16.610 -18.333 1.00 0.00 C ATOM 1501 O LEU A 101 17.025 -17.299 -17.368 1.00 0.00 O ATOM 1502 CB LEU A 101 15.354 -14.494 -17.964 1.00 0.00 C ATOM 1503 CG LEU A 101 14.073 -13.660 -18.131 1.00 0.00 C ATOM 1504 CD1 LEU A 101 14.349 -12.248 -17.640 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.620 -13.562 -19.581 1.00 0.00 C ATOM 0 H LEU A 101 14.101 -16.301 -16.737 1.00 0.00 H new ATOM 0 HA LEU A 101 14.999 -16.026 -19.473 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.634 -14.479 -16.911 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.155 -14.000 -18.514 1.00 0.00 H new ATOM 0 HG LEU A 101 13.287 -14.154 -17.560 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.450 -11.642 -17.751 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.639 -12.278 -16.590 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.157 -11.810 -18.227 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.712 -12.962 -19.639 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.403 -13.093 -20.176 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.420 -14.561 -19.968 1.00 0.00 H new ATOM 1517 N GLU A 102 17.530 -16.291 -19.321 1.00 0.00 N ATOM 1518 CA GLU A 102 18.973 -16.589 -19.371 1.00 0.00 C ATOM 1519 C GLU A 102 19.799 -15.597 -18.540 1.00 0.00 C ATOM 1520 O GLU A 102 19.314 -14.519 -18.218 1.00 0.00 O ATOM 1521 CB GLU A 102 19.445 -16.499 -20.835 1.00 0.00 C ATOM 1522 CG GLU A 102 18.777 -17.502 -21.781 1.00 0.00 C ATOM 1523 CD GLU A 102 19.000 -18.966 -21.349 1.00 0.00 C ATOM 1524 OE1 GLU A 102 20.172 -19.379 -21.161 1.00 0.00 O ATOM 1525 OE2 GLU A 102 18.008 -19.722 -21.212 1.00 0.00 O ATOM 0 H GLU A 102 17.211 -15.793 -20.152 1.00 0.00 H new ATOM 0 HA GLU A 102 19.121 -17.587 -18.958 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.256 -15.491 -21.203 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.524 -16.653 -20.866 1.00 0.00 H new ATOM 0 HG2 GLU A 102 17.707 -17.299 -21.823 1.00 0.00 H new ATOM 0 HG3 GLU A 102 19.168 -17.361 -22.789 1.00 0.00 H new ATOM 1532 N ASP A 103 21.059 -15.918 -18.226 1.00 0.00 N ATOM 1533 CA ASP A 103 22.025 -14.973 -17.642 1.00 0.00 C ATOM 1534 C ASP A 103 22.891 -14.371 -18.778 1.00 0.00 C ATOM 1535 O ASP A 103 23.668 -15.099 -19.404 1.00 0.00 O ATOM 1536 CB ASP A 103 22.833 -15.647 -16.521 1.00 0.00 C ATOM 1537 CG ASP A 103 23.839 -14.692 -15.866 1.00 0.00 C ATOM 1538 OD1 ASP A 103 23.414 -13.839 -15.048 1.00 0.00 O ATOM 1539 OD2 ASP A 103 25.051 -14.809 -16.127 1.00 0.00 O ATOM 0 H ASP A 103 21.444 -16.851 -18.371 1.00 0.00 H new ATOM 0 HA ASP A 103 21.511 -14.141 -17.161 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.149 -16.025 -15.762 1.00 0.00 H new ATOM 0 HB3 ASP A 103 23.365 -16.507 -16.928 1.00 0.00 H new ATOM 1544 N PRO A 104 22.753 -13.062 -19.087 1.00 0.00 N ATOM 1545 CA PRO A 104 23.349 -12.455 -20.282 1.00 0.00 C ATOM 1546 C PRO A 104 24.808 -11.983 -20.145 1.00 0.00 C ATOM 1547 O PRO A 104 25.430 -11.650 -21.150 1.00 0.00 O ATOM 1548 CB PRO A 104 22.405 -11.298 -20.612 1.00 0.00 C ATOM 1549 CG PRO A 104 22.005 -10.803 -19.225 1.00 0.00 C ATOM 1550 CD PRO A 104 21.794 -12.130 -18.498 1.00 0.00 C ATOM 0 HA PRO A 104 23.436 -13.201 -21.072 1.00 0.00 H new ATOM 0 HB2 PRO A 104 22.901 -10.521 -21.194 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.543 -11.629 -21.191 1.00 0.00 H new ATOM 0 HG2 PRO A 104 22.784 -10.197 -18.762 1.00 0.00 H new ATOM 0 HG3 PRO A 104 21.100 -10.196 -19.248 1.00 0.00 H new ATOM 0 HD2 PRO A 104 21.962 -12.020 -17.427 1.00 0.00 H new ATOM 0 HD3 PRO A 104 20.772 -12.488 -18.625 1.00 0.00 H new ATOM 1558 N ASP A 105 25.373 -11.946 -18.934 1.00 0.00 N ATOM 1559 CA ASP A 105 26.771 -11.572 -18.678 1.00 0.00 C ATOM 1560 C ASP A 105 27.768 -12.327 -19.583 1.00 0.00 C ATOM 1561 O ASP A 105 27.946 -13.544 -19.466 1.00 0.00 O ATOM 1562 CB ASP A 105 27.082 -11.842 -17.203 1.00 0.00 C ATOM 1563 CG ASP A 105 28.579 -11.694 -16.866 1.00 0.00 C ATOM 1564 OD1 ASP A 105 29.187 -10.681 -17.287 1.00 0.00 O ATOM 1565 OD2 ASP A 105 29.131 -12.573 -16.161 1.00 0.00 O ATOM 0 H ASP A 105 24.861 -12.180 -18.084 1.00 0.00 H new ATOM 0 HA ASP A 105 26.889 -10.514 -18.911 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.506 -11.154 -16.584 1.00 0.00 H new ATOM 0 HB3 ASP A 105 26.756 -12.850 -16.947 1.00 0.00 H new ATOM 1570 N GLY A 106 28.426 -11.588 -20.485 1.00 0.00 N ATOM 1571 CA GLY A 106 29.446 -12.125 -21.395 1.00 0.00 C ATOM 1572 C GLY A 106 28.893 -12.775 -22.673 1.00 0.00 C ATOM 1573 O GLY A 106 29.674 -13.232 -23.510 1.00 0.00 O ATOM 0 H GLY A 106 28.263 -10.588 -20.605 1.00 0.00 H new ATOM 0 HA2 GLY A 106 30.121 -11.318 -21.678 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.040 -12.863 -20.857 1.00 0.00 H new ATOM 1577 N GLN A 107 27.567 -12.802 -22.848 1.00 0.00 N ATOM 1578 CA GLN A 107 26.921 -13.187 -24.108 1.00 0.00 C ATOM 1579 C GLN A 107 27.033 -12.042 -25.140 1.00 0.00 C ATOM 1580 O GLN A 107 27.420 -10.916 -24.804 1.00 0.00 O ATOM 1581 CB GLN A 107 25.443 -13.566 -23.863 1.00 0.00 C ATOM 1582 CG GLN A 107 25.210 -14.656 -22.799 1.00 0.00 C ATOM 1583 CD GLN A 107 25.789 -16.034 -23.140 1.00 0.00 C ATOM 1584 OE1 GLN A 107 26.228 -16.323 -24.248 1.00 0.00 O ATOM 1585 NE2 GLN A 107 25.787 -16.951 -22.194 1.00 0.00 N ATOM 0 H GLN A 107 26.906 -12.555 -22.112 1.00 0.00 H new ATOM 0 HA GLN A 107 27.433 -14.061 -24.511 1.00 0.00 H new ATOM 0 HB2 GLN A 107 24.900 -12.669 -23.565 1.00 0.00 H new ATOM 0 HB3 GLN A 107 25.011 -13.903 -24.805 1.00 0.00 H new ATOM 0 HG2 GLN A 107 25.643 -14.320 -21.857 1.00 0.00 H new ATOM 0 HG3 GLN A 107 24.137 -14.760 -22.637 1.00 0.00 H new ATOM 0 HE21 GLN A 107 25.425 -16.727 -21.267 1.00 0.00 H new ATOM 0 HE22 GLN A 107 26.147 -17.885 -22.389 1.00 0.00 H new ATOM 1594 N SER A 108 26.662 -12.308 -26.400 1.00 0.00 N ATOM 1595 CA SER A 108 26.518 -11.254 -27.418 1.00 0.00 C ATOM 1596 C SER A 108 25.486 -10.206 -26.983 1.00 0.00 C ATOM 1597 O SER A 108 24.479 -10.538 -26.351 1.00 0.00 O ATOM 1598 CB SER A 108 26.144 -11.867 -28.773 1.00 0.00 C ATOM 1599 OG SER A 108 25.988 -10.850 -29.752 1.00 0.00 O ATOM 0 H SER A 108 26.455 -13.247 -26.741 1.00 0.00 H new ATOM 0 HA SER A 108 27.477 -10.748 -27.525 1.00 0.00 H new ATOM 0 HB2 SER A 108 26.917 -12.568 -29.088 1.00 0.00 H new ATOM 0 HB3 SER A 108 25.218 -12.435 -28.679 1.00 0.00 H new ATOM 0 HG SER A 108 25.751 -11.257 -30.612 1.00 0.00 H new ATOM 1605 N LEU A 109 25.714 -8.939 -27.338 1.00 0.00 N ATOM 1606 CA LEU A 109 24.854 -7.821 -26.924 1.00 0.00 C ATOM 1607 C LEU A 109 23.415 -7.989 -27.422 1.00 0.00 C ATOM 1608 O LEU A 109 22.487 -7.602 -26.726 1.00 0.00 O ATOM 1609 CB LEU A 109 25.472 -6.479 -27.375 1.00 0.00 C ATOM 1610 CG LEU A 109 26.489 -5.905 -26.368 1.00 0.00 C ATOM 1611 CD1 LEU A 109 27.741 -6.761 -26.182 1.00 0.00 C ATOM 1612 CD2 LEU A 109 26.939 -4.511 -26.810 1.00 0.00 C ATOM 0 H LEU A 109 26.501 -8.656 -27.922 1.00 0.00 H new ATOM 0 HA LEU A 109 24.799 -7.819 -25.835 1.00 0.00 H new ATOM 0 HB2 LEU A 109 25.964 -6.619 -28.337 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.674 -5.753 -27.528 1.00 0.00 H new ATOM 0 HG LEU A 109 25.961 -5.880 -25.415 1.00 0.00 H new ATOM 0 HD11 LEU A 109 28.403 -6.285 -25.458 1.00 0.00 H new ATOM 0 HD12 LEU A 109 27.456 -7.749 -25.819 1.00 0.00 H new ATOM 0 HD13 LEU A 109 28.259 -6.861 -27.136 1.00 0.00 H new ATOM 0 HD21 LEU A 109 27.657 -4.116 -26.091 1.00 0.00 H new ATOM 0 HD22 LEU A 109 27.406 -4.574 -27.793 1.00 0.00 H new ATOM 0 HD23 LEU A 109 26.075 -3.849 -26.861 1.00 0.00 H new ATOM 1624 N GLU A 110 23.192 -8.675 -28.542 1.00 0.00 N ATOM 1625 CA GLU A 110 21.842 -9.013 -29.019 1.00 0.00 C ATOM 1626 C GLU A 110 21.096 -9.986 -28.090 1.00 0.00 C ATOM 1627 O GLU A 110 19.887 -9.855 -27.912 1.00 0.00 O ATOM 1628 CB GLU A 110 21.946 -9.622 -30.418 1.00 0.00 C ATOM 1629 CG GLU A 110 22.456 -8.643 -31.487 1.00 0.00 C ATOM 1630 CD GLU A 110 21.492 -7.453 -31.686 1.00 0.00 C ATOM 1631 OE1 GLU A 110 20.562 -7.557 -32.525 1.00 0.00 O ATOM 1632 OE2 GLU A 110 21.663 -6.411 -31.008 1.00 0.00 O ATOM 0 H GLU A 110 23.939 -9.014 -29.148 1.00 0.00 H new ATOM 0 HA GLU A 110 21.264 -8.089 -29.034 1.00 0.00 H new ATOM 0 HB2 GLU A 110 22.613 -10.483 -30.380 1.00 0.00 H new ATOM 0 HB3 GLU A 110 20.965 -9.992 -30.716 1.00 0.00 H new ATOM 0 HG2 GLU A 110 23.438 -8.270 -31.198 1.00 0.00 H new ATOM 0 HG3 GLU A 110 22.581 -9.171 -32.432 1.00 0.00 H new ATOM 1639 N VAL A 111 21.795 -10.914 -27.425 1.00 0.00 N ATOM 1640 CA VAL A 111 21.205 -11.777 -26.376 1.00 0.00 C ATOM 1641 C VAL A 111 20.895 -10.943 -25.132 1.00 0.00 C ATOM 1642 O VAL A 111 19.850 -11.115 -24.509 1.00 0.00 O ATOM 1643 CB VAL A 111 22.135 -12.964 -26.032 1.00 0.00 C ATOM 1644 CG1 VAL A 111 21.524 -13.887 -24.969 1.00 0.00 C ATOM 1645 CG2 VAL A 111 22.427 -13.818 -27.271 1.00 0.00 C ATOM 0 H VAL A 111 22.785 -11.093 -27.593 1.00 0.00 H new ATOM 0 HA VAL A 111 20.275 -12.198 -26.758 1.00 0.00 H new ATOM 0 HB VAL A 111 23.053 -12.520 -25.648 1.00 0.00 H new ATOM 0 HG11 VAL A 111 22.212 -14.706 -24.759 1.00 0.00 H new ATOM 0 HG12 VAL A 111 21.345 -13.321 -24.055 1.00 0.00 H new ATOM 0 HG13 VAL A 111 20.581 -14.291 -25.337 1.00 0.00 H new ATOM 0 HG21 VAL A 111 23.083 -14.644 -26.997 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.492 -14.213 -27.669 1.00 0.00 H new ATOM 0 HG23 VAL A 111 22.913 -13.205 -28.029 1.00 0.00 H new ATOM 1655 N PHE A 112 21.753 -9.965 -24.823 1.00 0.00 N ATOM 1656 CA PHE A 112 21.560 -9.036 -23.697 1.00 0.00 C ATOM 1657 C PHE A 112 20.327 -8.137 -23.935 1.00 0.00 C ATOM 1658 O PHE A 112 19.474 -7.999 -23.059 1.00 0.00 O ATOM 1659 CB PHE A 112 22.872 -8.254 -23.458 1.00 0.00 C ATOM 1660 CG PHE A 112 23.249 -8.030 -22.007 1.00 0.00 C ATOM 1661 CD1 PHE A 112 22.381 -7.367 -21.117 1.00 0.00 C ATOM 1662 CD2 PHE A 112 24.479 -8.524 -21.531 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.746 -7.205 -19.768 1.00 0.00 C ATOM 1664 CE2 PHE A 112 24.832 -8.378 -20.181 1.00 0.00 C ATOM 1665 CZ PHE A 112 23.977 -7.699 -19.301 1.00 0.00 C ATOM 0 H PHE A 112 22.609 -9.792 -25.350 1.00 0.00 H new ATOM 0 HA PHE A 112 21.342 -9.584 -22.780 1.00 0.00 H new ATOM 0 HB2 PHE A 112 23.686 -8.789 -23.947 1.00 0.00 H new ATOM 0 HB3 PHE A 112 22.789 -7.283 -23.947 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.435 -6.983 -21.470 1.00 0.00 H new ATOM 0 HD2 PHE A 112 25.156 -9.019 -22.211 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.077 -6.699 -19.088 1.00 0.00 H new ATOM 0 HE2 PHE A 112 25.763 -8.789 -19.819 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.263 -7.556 -18.269 1.00 0.00 H new ATOM 1675 N ARG A 113 20.153 -7.627 -25.163 1.00 0.00 N ATOM 1676 CA ARG A 113 18.943 -6.904 -25.613 1.00 0.00 C ATOM 1677 C ARG A 113 17.714 -7.814 -25.686 1.00 0.00 C ATOM 1678 O ARG A 113 16.641 -7.383 -25.286 1.00 0.00 O ATOM 1679 CB ARG A 113 19.208 -6.211 -26.967 1.00 0.00 C ATOM 1680 CG ARG A 113 20.280 -5.109 -26.874 1.00 0.00 C ATOM 1681 CD ARG A 113 20.504 -4.427 -28.230 1.00 0.00 C ATOM 1682 NE ARG A 113 21.598 -3.431 -28.172 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.662 -3.362 -28.951 1.00 0.00 C ATOM 1684 NH1 ARG A 113 22.940 -4.225 -29.890 1.00 0.00 N ATOM 1685 NH2 ARG A 113 23.496 -2.379 -28.804 1.00 0.00 N ATOM 0 H ARG A 113 20.863 -7.705 -25.891 1.00 0.00 H new ATOM 0 HA ARG A 113 18.719 -6.142 -24.867 1.00 0.00 H new ATOM 0 HB2 ARG A 113 19.523 -6.957 -27.696 1.00 0.00 H new ATOM 0 HB3 ARG A 113 18.279 -5.777 -27.336 1.00 0.00 H new ATOM 0 HG2 ARG A 113 19.976 -4.365 -26.137 1.00 0.00 H new ATOM 0 HG3 ARG A 113 21.217 -5.540 -26.523 1.00 0.00 H new ATOM 0 HD2 ARG A 113 20.739 -5.181 -28.981 1.00 0.00 H new ATOM 0 HD3 ARG A 113 19.583 -3.937 -28.547 1.00 0.00 H new ATOM 0 HE ARG A 113 21.521 -2.717 -27.448 1.00 0.00 H new ATOM 0 HH11 ARG A 113 22.316 -5.014 -30.058 1.00 0.00 H new ATOM 0 HH12 ARG A 113 23.781 -4.110 -30.455 1.00 0.00 H new ATOM 0 HH21 ARG A 113 23.327 -1.669 -28.092 1.00 0.00 H new ATOM 0 HH22 ARG A 113 24.321 -2.317 -29.401 1.00 0.00 H new ATOM 1699 N THR A 114 17.862 -9.082 -26.077 1.00 0.00 N ATOM 1700 CA THR A 114 16.755 -10.068 -26.095 1.00 0.00 C ATOM 1701 C THR A 114 16.155 -10.259 -24.703 1.00 0.00 C ATOM 1702 O THR A 114 14.942 -10.116 -24.544 1.00 0.00 O ATOM 1703 CB THR A 114 17.190 -11.423 -26.688 1.00 0.00 C ATOM 1704 OG1 THR A 114 17.524 -11.265 -28.050 1.00 0.00 O ATOM 1705 CG2 THR A 114 16.089 -12.492 -26.627 1.00 0.00 C ATOM 0 H THR A 114 18.753 -9.465 -26.393 1.00 0.00 H new ATOM 0 HA THR A 114 15.984 -9.658 -26.748 1.00 0.00 H new ATOM 0 HB THR A 114 18.038 -11.751 -26.087 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.380 -10.794 -28.124 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.460 -13.421 -27.060 1.00 0.00 H new ATOM 0 HG22 THR A 114 15.805 -12.663 -25.589 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.219 -12.151 -27.189 1.00 0.00 H new ATOM 1713 N VAL A 115 16.974 -10.478 -23.662 1.00 0.00 N ATOM 1714 CA VAL A 115 16.443 -10.564 -22.296 1.00 0.00 C ATOM 1715 C VAL A 115 15.911 -9.214 -21.801 1.00 0.00 C ATOM 1716 O VAL A 115 14.877 -9.211 -21.146 1.00 0.00 O ATOM 1717 CB VAL A 115 17.405 -11.250 -21.314 1.00 0.00 C ATOM 1718 CG1 VAL A 115 17.697 -12.695 -21.737 1.00 0.00 C ATOM 1719 CG2 VAL A 115 18.728 -10.521 -21.109 1.00 0.00 C ATOM 0 H VAL A 115 17.984 -10.596 -23.738 1.00 0.00 H new ATOM 0 HA VAL A 115 15.579 -11.228 -22.339 1.00 0.00 H new ATOM 0 HB VAL A 115 16.877 -11.229 -20.361 1.00 0.00 H new ATOM 0 HG11 VAL A 115 18.381 -13.152 -21.022 1.00 0.00 H new ATOM 0 HG12 VAL A 115 16.766 -13.262 -21.763 1.00 0.00 H new ATOM 0 HG13 VAL A 115 18.152 -12.699 -22.727 1.00 0.00 H new ATOM 0 HG21 VAL A 115 19.343 -11.076 -20.401 1.00 0.00 H new ATOM 0 HG22 VAL A 115 19.252 -10.443 -22.062 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.536 -9.522 -20.717 1.00 0.00 H new ATOM 1729 N ARG A 116 16.475 -8.059 -22.206 1.00 0.00 N ATOM 1730 CA ARG A 116 15.866 -6.726 -21.933 1.00 0.00 C ATOM 1731 C ARG A 116 14.455 -6.604 -22.533 1.00 0.00 C ATOM 1732 O ARG A 116 13.553 -6.128 -21.857 1.00 0.00 O ATOM 1733 CB ARG A 116 16.829 -5.564 -22.326 1.00 0.00 C ATOM 1734 CG ARG A 116 16.289 -4.577 -23.391 1.00 0.00 C ATOM 1735 CD ARG A 116 17.289 -3.499 -23.837 1.00 0.00 C ATOM 1736 NE ARG A 116 16.972 -3.038 -25.214 1.00 0.00 N ATOM 1737 CZ ARG A 116 17.774 -2.392 -26.043 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.891 -1.890 -25.628 1.00 0.00 N ATOM 1739 NH2 ARG A 116 17.476 -2.246 -27.297 1.00 0.00 N ATOM 0 H ARG A 116 17.352 -8.014 -22.724 1.00 0.00 H new ATOM 0 HA ARG A 116 15.724 -6.635 -20.856 1.00 0.00 H new ATOM 0 HB2 ARG A 116 17.075 -5.000 -21.426 1.00 0.00 H new ATOM 0 HB3 ARG A 116 17.759 -5.996 -22.696 1.00 0.00 H new ATOM 0 HG2 ARG A 116 15.975 -5.145 -24.266 1.00 0.00 H new ATOM 0 HG3 ARG A 116 15.401 -4.086 -22.994 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.256 -2.655 -23.147 1.00 0.00 H new ATOM 0 HD3 ARG A 116 18.303 -3.898 -23.804 1.00 0.00 H new ATOM 0 HE ARG A 116 16.033 -3.242 -25.557 1.00 0.00 H new ATOM 0 HH11 ARG A 116 19.163 -1.990 -24.650 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.500 -1.394 -26.279 1.00 0.00 H new ATOM 0 HH21 ARG A 116 16.606 -2.634 -27.663 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.111 -1.743 -27.917 1.00 0.00 H new ATOM 1753 N GLY A 117 14.249 -7.064 -23.768 1.00 0.00 N ATOM 1754 CA GLY A 117 12.957 -6.998 -24.477 1.00 0.00 C ATOM 1755 C GLY A 117 11.892 -7.894 -23.841 1.00 0.00 C ATOM 1756 O GLY A 117 10.764 -7.456 -23.612 1.00 0.00 O ATOM 0 H GLY A 117 14.986 -7.503 -24.320 1.00 0.00 H new ATOM 0 HA2 GLY A 117 12.603 -5.967 -24.484 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.101 -7.293 -25.516 1.00 0.00 H new ATOM 1760 N GLN A 118 12.279 -9.110 -23.442 1.00 0.00 N ATOM 1761 CA GLN A 118 11.430 -9.989 -22.629 1.00 0.00 C ATOM 1762 C GLN A 118 11.105 -9.369 -21.267 1.00 0.00 C ATOM 1763 O GLN A 118 9.947 -9.353 -20.851 1.00 0.00 O ATOM 1764 CB GLN A 118 12.130 -11.333 -22.407 1.00 0.00 C ATOM 1765 CG GLN A 118 12.119 -12.204 -23.673 1.00 0.00 C ATOM 1766 CD GLN A 118 12.731 -13.570 -23.394 1.00 0.00 C ATOM 1767 OE1 GLN A 118 13.676 -14.013 -24.030 1.00 0.00 O ATOM 1768 NE2 GLN A 118 12.220 -14.278 -22.407 1.00 0.00 N ATOM 0 H GLN A 118 13.187 -9.513 -23.673 1.00 0.00 H new ATOM 0 HA GLN A 118 10.497 -10.132 -23.174 1.00 0.00 H new ATOM 0 HB2 GLN A 118 13.160 -11.158 -22.096 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.638 -11.868 -21.595 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.096 -12.325 -24.028 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.675 -11.706 -24.467 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.431 -13.913 -21.873 1.00 0.00 H new ATOM 0 HE22 GLN A 118 12.613 -15.191 -22.177 1.00 0.00 H new ATOM 1777 N VAL A 119 12.121 -8.822 -20.587 1.00 0.00 N ATOM 1778 CA VAL A 119 11.955 -8.167 -19.283 1.00 0.00 C ATOM 1779 C VAL A 119 10.979 -6.996 -19.399 1.00 0.00 C ATOM 1780 O VAL A 119 10.056 -6.930 -18.606 1.00 0.00 O ATOM 1781 CB VAL A 119 13.317 -7.725 -18.702 1.00 0.00 C ATOM 1782 CG1 VAL A 119 13.235 -6.693 -17.575 1.00 0.00 C ATOM 1783 CG2 VAL A 119 14.047 -8.939 -18.127 1.00 0.00 C ATOM 0 H VAL A 119 13.083 -8.821 -20.926 1.00 0.00 H new ATOM 0 HA VAL A 119 11.531 -8.888 -18.584 1.00 0.00 H new ATOM 0 HB VAL A 119 13.838 -7.263 -19.541 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.240 -6.446 -17.234 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.745 -5.791 -17.942 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.661 -7.105 -16.745 1.00 0.00 H new ATOM 0 HG21 VAL A 119 15.007 -8.626 -17.718 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.444 -9.385 -17.336 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.211 -9.673 -18.916 1.00 0.00 H new ATOM 1793 N LYS A 120 11.109 -6.122 -20.406 1.00 0.00 N ATOM 1794 CA LYS A 120 10.182 -5.006 -20.673 1.00 0.00 C ATOM 1795 C LYS A 120 8.726 -5.479 -20.743 1.00 0.00 C ATOM 1796 O LYS A 120 7.884 -4.997 -19.993 1.00 0.00 O ATOM 1797 CB LYS A 120 10.606 -4.300 -21.970 1.00 0.00 C ATOM 1798 CG LYS A 120 9.694 -3.109 -22.304 1.00 0.00 C ATOM 1799 CD LYS A 120 10.157 -2.418 -23.594 1.00 0.00 C ATOM 1800 CE LYS A 120 9.291 -1.198 -23.961 1.00 0.00 C ATOM 1801 NZ LYS A 120 7.920 -1.575 -24.421 1.00 0.00 N ATOM 0 H LYS A 120 11.878 -6.169 -21.075 1.00 0.00 H new ATOM 0 HA LYS A 120 10.235 -4.299 -19.845 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.635 -3.953 -21.874 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.586 -5.013 -22.794 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.666 -3.452 -22.418 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.702 -2.396 -21.480 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.193 -2.101 -23.479 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.132 -3.135 -24.414 1.00 0.00 H new ATOM 0 HE2 LYS A 120 9.210 -0.542 -23.094 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.788 -0.629 -24.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.395 -0.717 -24.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.991 -2.206 -25.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.418 -2.064 -23.653 1.00 0.00 H new ATOM 1815 N GLU A 121 8.443 -6.457 -21.605 1.00 0.00 N ATOM 1816 CA GLU A 121 7.080 -6.965 -21.834 1.00 0.00 C ATOM 1817 C GLU A 121 6.453 -7.551 -20.557 1.00 0.00 C ATOM 1818 O GLU A 121 5.287 -7.284 -20.254 1.00 0.00 O ATOM 1819 CB GLU A 121 7.129 -8.000 -22.970 1.00 0.00 C ATOM 1820 CG GLU A 121 5.737 -8.492 -23.381 1.00 0.00 C ATOM 1821 CD GLU A 121 5.823 -9.415 -24.613 1.00 0.00 C ATOM 1822 OE1 GLU A 121 6.056 -10.637 -24.448 1.00 0.00 O ATOM 1823 OE2 GLU A 121 5.648 -8.923 -25.757 1.00 0.00 O ATOM 0 H GLU A 121 9.153 -6.924 -22.169 1.00 0.00 H new ATOM 0 HA GLU A 121 6.436 -6.135 -22.123 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.625 -7.561 -23.835 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.733 -8.851 -22.655 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.276 -9.028 -22.551 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.096 -7.639 -23.604 1.00 0.00 H new ATOM 1830 N ARG A 122 7.238 -8.302 -19.768 1.00 0.00 N ATOM 1831 CA ARG A 122 6.766 -8.911 -18.513 1.00 0.00 C ATOM 1832 C ARG A 122 6.721 -7.914 -17.342 1.00 0.00 C ATOM 1833 O ARG A 122 5.786 -7.967 -16.548 1.00 0.00 O ATOM 1834 CB ARG A 122 7.598 -10.167 -18.216 1.00 0.00 C ATOM 1835 CG ARG A 122 7.434 -11.257 -19.294 1.00 0.00 C ATOM 1836 CD ARG A 122 8.025 -12.594 -18.839 1.00 0.00 C ATOM 1837 NE ARG A 122 7.092 -13.310 -17.933 1.00 0.00 N ATOM 1838 CZ ARG A 122 6.242 -14.277 -18.248 1.00 0.00 C ATOM 1839 NH1 ARG A 122 6.129 -14.731 -19.464 1.00 0.00 N ATOM 1840 NH2 ARG A 122 5.480 -14.820 -17.347 1.00 0.00 N ATOM 0 H ARG A 122 8.215 -8.504 -19.981 1.00 0.00 H new ATOM 0 HA ARG A 122 5.727 -9.215 -18.641 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.650 -9.892 -18.140 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.304 -10.572 -17.248 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.376 -11.386 -19.524 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.923 -10.936 -20.214 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.240 -13.215 -19.709 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.972 -12.421 -18.328 1.00 0.00 H new ATOM 0 HE ARG A 122 7.107 -13.024 -16.954 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.706 -14.341 -20.210 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.464 -15.476 -19.670 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.530 -14.503 -16.379 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.832 -15.563 -17.608 1.00 0.00 H new ATOM 1854 N VAL A 123 7.642 -6.945 -17.279 1.00 0.00 N ATOM 1855 CA VAL A 123 7.588 -5.809 -16.337 1.00 0.00 C ATOM 1856 C VAL A 123 6.317 -4.990 -16.553 1.00 0.00 C ATOM 1857 O VAL A 123 5.652 -4.679 -15.568 1.00 0.00 O ATOM 1858 CB VAL A 123 8.805 -4.875 -16.455 1.00 0.00 C ATOM 1859 CG1 VAL A 123 8.564 -3.565 -15.703 1.00 0.00 C ATOM 1860 CG2 VAL A 123 10.061 -5.469 -15.811 1.00 0.00 C ATOM 0 H VAL A 123 8.460 -6.923 -17.888 1.00 0.00 H new ATOM 0 HA VAL A 123 7.593 -6.245 -15.338 1.00 0.00 H new ATOM 0 HB VAL A 123 8.944 -4.725 -17.526 1.00 0.00 H new ATOM 0 HG11 VAL A 123 9.439 -2.922 -15.802 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.694 -3.060 -16.122 1.00 0.00 H new ATOM 0 HG13 VAL A 123 8.388 -3.778 -14.649 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.891 -4.771 -15.921 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.876 -5.649 -14.752 1.00 0.00 H new ATOM 0 HG23 VAL A 123 10.311 -6.410 -16.301 1.00 0.00 H new ATOM 1870 N GLU A 124 5.974 -4.635 -17.799 1.00 0.00 N ATOM 1871 CA GLU A 124 4.756 -3.868 -18.108 1.00 0.00 C ATOM 1872 C GLU A 124 3.534 -4.561 -17.501 1.00 0.00 C ATOM 1873 O GLU A 124 2.843 -3.983 -16.669 1.00 0.00 O ATOM 1874 CB GLU A 124 4.556 -3.713 -19.631 1.00 0.00 C ATOM 1875 CG GLU A 124 5.420 -2.615 -20.263 1.00 0.00 C ATOM 1876 CD GLU A 124 5.162 -2.476 -21.777 1.00 0.00 C ATOM 1877 OE1 GLU A 124 4.006 -2.201 -22.182 1.00 0.00 O ATOM 1878 OE2 GLU A 124 6.122 -2.600 -22.574 1.00 0.00 O ATOM 0 H GLU A 124 6.531 -4.870 -18.621 1.00 0.00 H new ATOM 0 HA GLU A 124 4.871 -2.874 -17.676 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.781 -4.663 -20.116 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.507 -3.495 -19.829 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.214 -1.664 -19.771 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.473 -2.840 -20.094 1.00 0.00 H new ATOM 1885 N ASN A 125 3.341 -5.836 -17.839 1.00 0.00 N ATOM 1886 CA ASN A 125 2.273 -6.689 -17.314 1.00 0.00 C ATOM 1887 C ASN A 125 2.269 -6.740 -15.769 1.00 0.00 C ATOM 1888 O ASN A 125 1.208 -6.666 -15.154 1.00 0.00 O ATOM 1889 CB ASN A 125 2.456 -8.085 -17.947 1.00 0.00 C ATOM 1890 CG ASN A 125 1.304 -9.053 -17.709 1.00 0.00 C ATOM 1891 OD1 ASN A 125 0.229 -8.711 -17.242 1.00 0.00 O ATOM 1892 ND2 ASN A 125 1.497 -10.309 -18.042 1.00 0.00 N ATOM 0 H ASN A 125 3.942 -6.319 -18.507 1.00 0.00 H new ATOM 0 HA ASN A 125 1.298 -6.280 -17.580 1.00 0.00 H new ATOM 0 HB2 ASN A 125 2.595 -7.965 -19.021 1.00 0.00 H new ATOM 0 HB3 ASN A 125 3.371 -8.529 -17.555 1.00 0.00 H new ATOM 0 HD21 ASN A 125 0.751 -10.992 -17.910 1.00 0.00 H new ATOM 0 HD22 ASN A 125 2.393 -10.601 -18.433 1.00 0.00 H new ATOM 1899 N LEU A 126 3.441 -6.814 -15.124 1.00 0.00 N ATOM 1900 CA LEU A 126 3.566 -6.899 -13.664 1.00 0.00 C ATOM 1901 C LEU A 126 3.240 -5.569 -12.967 1.00 0.00 C ATOM 1902 O LEU A 126 2.325 -5.516 -12.146 1.00 0.00 O ATOM 1903 CB LEU A 126 4.971 -7.451 -13.334 1.00 0.00 C ATOM 1904 CG LEU A 126 5.239 -7.917 -11.892 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.484 -6.764 -10.921 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.132 -8.821 -11.351 1.00 0.00 C ATOM 0 H LEU A 126 4.339 -6.816 -15.608 1.00 0.00 H new ATOM 0 HA LEU A 126 2.821 -7.588 -13.265 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.165 -8.292 -13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.700 -6.678 -13.577 1.00 0.00 H new ATOM 0 HG LEU A 126 6.159 -8.498 -11.958 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.666 -7.162 -9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.352 -6.191 -11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.609 -6.115 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.372 -9.120 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.185 -8.281 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.047 -9.708 -11.979 1.00 0.00 H new ATOM 1918 N ILE A 127 3.961 -4.486 -13.285 1.00 0.00 N ATOM 1919 CA ILE A 127 3.806 -3.168 -12.658 1.00 0.00 C ATOM 1920 C ILE A 127 2.414 -2.574 -12.925 1.00 0.00 C ATOM 1921 O ILE A 127 1.823 -1.944 -12.049 1.00 0.00 O ATOM 1922 CB ILE A 127 4.983 -2.264 -13.122 1.00 0.00 C ATOM 1923 CG1 ILE A 127 5.655 -1.502 -11.961 1.00 0.00 C ATOM 1924 CG2 ILE A 127 4.658 -1.322 -14.291 1.00 0.00 C ATOM 1925 CD1 ILE A 127 4.714 -0.634 -11.119 1.00 0.00 C ATOM 0 H ILE A 127 4.686 -4.503 -14.003 1.00 0.00 H new ATOM 0 HA ILE A 127 3.858 -3.252 -11.573 1.00 0.00 H new ATOM 0 HB ILE A 127 5.707 -2.978 -13.516 1.00 0.00 H new ATOM 0 HG12 ILE A 127 6.140 -2.225 -11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 127 6.440 -0.867 -12.371 1.00 0.00 H new ATOM 0 HG21 ILE A 127 5.541 -0.734 -14.541 1.00 0.00 H new ATOM 0 HG22 ILE A 127 4.356 -1.909 -15.158 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.846 -0.653 -14.005 1.00 0.00 H new ATOM 0 HD11 ILE A 127 5.282 -0.141 -10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 127 4.247 0.118 -11.754 1.00 0.00 H new ATOM 0 HD13 ILE A 127 3.942 -1.261 -10.673 1.00 0.00 H new ATOM 1937 N ALA A 128 1.837 -2.819 -14.104 1.00 0.00 N ATOM 1938 CA ALA A 128 0.574 -2.203 -14.522 1.00 0.00 C ATOM 1939 C ALA A 128 -0.676 -2.769 -13.803 1.00 0.00 C ATOM 1940 O ALA A 128 -1.718 -2.111 -13.787 1.00 0.00 O ATOM 1941 CB ALA A 128 0.482 -2.281 -16.052 1.00 0.00 C ATOM 0 H ALA A 128 2.234 -3.452 -14.798 1.00 0.00 H new ATOM 0 HA ALA A 128 0.581 -1.158 -14.213 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.452 -1.827 -16.384 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.322 -1.747 -16.495 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.510 -3.325 -16.365 1.00 0.00 H new ATOM 1947 N LYS A 129 -0.575 -3.937 -13.143 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.628 -4.495 -12.259 1.00 0.00 C ATOM 1949 C LYS A 129 -1.786 -3.727 -10.937 1.00 0.00 C ATOM 1950 O LYS A 129 -2.870 -3.712 -10.355 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.307 -5.969 -11.949 1.00 0.00 C ATOM 1952 CG LYS A 129 -1.544 -6.882 -13.154 1.00 0.00 C ATOM 1953 CD LYS A 129 -1.033 -8.303 -12.860 1.00 0.00 C ATOM 1954 CE LYS A 129 -0.843 -9.098 -14.157 1.00 0.00 C ATOM 1955 NZ LYS A 129 -2.128 -9.409 -14.847 1.00 0.00 N ATOM 0 H LYS A 129 0.251 -4.533 -13.206 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.571 -4.401 -12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -0.268 -6.053 -11.632 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.923 -6.305 -11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -2.607 -6.913 -13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -1.034 -6.479 -14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.087 -8.249 -12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -1.740 -8.821 -12.212 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -0.203 -8.531 -14.833 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.324 -10.030 -13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -1.934 -9.947 -15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -2.732 -9.975 -14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -2.615 -8.523 -15.090 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.700 -3.105 -10.470 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.580 -2.419 -9.166 1.00 0.00 C ATOM 1971 C ILE A 130 -0.387 -0.890 -9.295 1.00 0.00 C ATOM 1972 O ILE A 130 -0.425 -0.180 -8.287 1.00 0.00 O ATOM 1973 CB ILE A 130 0.533 -3.079 -8.317 1.00 0.00 C ATOM 1974 CG1 ILE A 130 1.879 -3.113 -9.075 1.00 0.00 C ATOM 1975 CG2 ILE A 130 0.089 -4.492 -7.888 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.031 -3.755 -8.304 1.00 0.00 C ATOM 0 H ILE A 130 0.164 -3.060 -11.011 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.530 -2.541 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 130 0.693 -2.477 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.740 -3.655 -10.011 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.159 -2.092 -9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.875 -4.954 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.824 -4.423 -7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.098 -5.099 -8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 130 3.934 -3.734 -8.914 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.204 -3.202 -7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.778 -4.788 -8.066 1.00 0.00 H new ATOM 1988 N SER A 131 -0.208 -0.390 -10.526 1.00 0.00 N ATOM 1989 CA SER A 131 -0.141 1.043 -10.873 1.00 0.00 C ATOM 1990 C SER A 131 -1.491 1.767 -10.770 1.00 0.00 C ATOM 1991 O SER A 131 -2.557 1.124 -10.918 1.00 0.00 O ATOM 1992 CB SER A 131 0.412 1.226 -12.284 1.00 0.00 C ATOM 1993 OG SER A 131 1.753 0.787 -12.311 1.00 0.00 O ATOM 1994 OXT SER A 131 -1.469 3.004 -10.577 1.00 0.00 O ATOM 0 H SER A 131 -0.101 -0.994 -11.341 1.00 0.00 H new ATOM 0 HA SER A 131 0.525 1.492 -10.136 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.184 0.659 -12.999 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.353 2.274 -12.579 1.00 0.00 H new ATOM 0 HG SER A 131 1.777 -0.192 -12.280 1.00 0.00 H new TER 2000 SER A 131