USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 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= 2.01 K(o=2.7,f=-2.1) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 145:sc= 0.686 (180deg=0) USER MOD Set 2.1: A 11 ASN : amide:sc= 1.28 K(o=6.1,f=-0.15) USER MOD Set 2.2: A 16 GLN : amide:sc= 1.57 K(o=6.1,f=0.2) USER MOD Set 2.3: A 34 SER OG : rot -59:sc= 1.36 USER MOD Set 2.4: A 60 GLN : amide:sc= 0.715 K(o=6.1,f=4.3) USER MOD Set 2.5: A 62 SER OG : rot -166:sc= 1.21 USER MOD Set 3.1: A 5 MET CE :methyl -156:sc= -0.24 (180deg=-1.51) USER MOD Set 3.2: A 33 THR OG1 : rot 161:sc= 0.565 USER MOD Set 3.3: A 35 CYS SG : rot -78:sc= 0.745 USER MOD Set 3.4: A 73 TYR OH : rot 177:sc= 1.62 USER MOD Set 4.1: A 8 CYS SG : rot 117:sc= -0.029 USER MOD Set 4.2: A 15 SER OG : rot 97:sc= 1.29 USER MOD Single : A 1 MET CE :methyl -138:sc= 0 (180deg=-0.00639) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0308 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.18) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0.959) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00375) USER MOD Single : A 12 SER OG : rot -86:sc= 1.08 USER MOD Single : A 13 CYS SG : rot -120:sc= -0.0083 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.06 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -171:sc= 1.17 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-2.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00401 USER MOD Single : A 49 MET CE :methyl -144:sc= -1.01 (180deg=-2.71!) USER MOD Single : A 50 MET CE :methyl -119:sc= -3.99 (180deg=-15.3!) USER MOD Single : A 58 SER OG : rot 89:sc= 1.18 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.05 K(o=1.1,f=-0.36) USER MOD Single : A 69 ASN : amide:sc= 0.715 K(o=0.71,f=-0.003) USER MOD Single : A 78 SER OG : rot -105:sc= 1.33 USER MOD Single : A 80 CYS SG : rot -119:sc= -0.0781 USER MOD Single : A 82 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 85 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.14) USER MOD Single : A 92 THR OG1 : rot 2:sc= 0.272 USER MOD Single : A 93 GLN : amide:sc= 0.924 K(o=0.92,f=-0.072) USER MOD Single : A 100 GLN : amide:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.875 K(o=0.87,f=-1.4) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= 0.891 K(o=0.89,f=-4.4!) USER MOD Single : A 120 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.12) USER MOD Single : A 131 SER OG : rot 73:sc= 0.0389 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.965 -0.345 -2.646 1.00 0.00 N ATOM 2 CA MET A 1 2.005 0.706 -2.776 1.00 0.00 C ATOM 3 C MET A 1 3.306 0.255 -2.108 1.00 0.00 C ATOM 4 O MET A 1 3.286 -0.444 -1.093 1.00 0.00 O ATOM 5 CB MET A 1 1.513 2.060 -2.219 1.00 0.00 C ATOM 6 CG MET A 1 2.577 3.172 -2.225 1.00 0.00 C ATOM 7 SD MET A 1 1.912 4.855 -2.096 1.00 0.00 S ATOM 8 CE MET A 1 1.289 5.108 -3.786 1.00 0.00 C ATOM 0 H1 MET A 1 0.073 0.086 -2.330 1.00 0.00 H new ATOM 0 H2 MET A 1 0.820 -0.806 -3.567 1.00 0.00 H new ATOM 0 H3 MET A 1 1.272 -1.053 -1.949 1.00 0.00 H new ATOM 0 HA MET A 1 2.208 0.857 -3.836 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.656 2.391 -2.805 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.163 1.914 -1.197 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.265 3.003 -1.397 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.159 3.095 -3.143 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.540 6.115 -4.119 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.747 4.380 -4.455 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.206 4.981 -3.797 1.00 0.00 H new ATOM 18 N LYS A 2 4.446 0.681 -2.663 1.00 0.00 N ATOM 19 CA LYS A 2 5.783 0.418 -2.128 1.00 0.00 C ATOM 20 C LYS A 2 6.433 1.763 -1.818 1.00 0.00 C ATOM 21 O LYS A 2 6.285 2.708 -2.589 1.00 0.00 O ATOM 22 CB LYS A 2 6.582 -0.389 -3.173 1.00 0.00 C ATOM 23 CG LYS A 2 6.030 -1.800 -3.449 1.00 0.00 C ATOM 24 CD LYS A 2 6.000 -2.664 -2.187 1.00 0.00 C ATOM 25 CE LYS A 2 6.100 -4.163 -2.502 1.00 0.00 C ATOM 26 NZ LYS A 2 6.434 -4.951 -1.290 1.00 0.00 N ATOM 0 H LYS A 2 4.463 1.233 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 2 5.750 -0.170 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.600 0.170 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.614 -0.476 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.023 -1.721 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.644 -2.287 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.824 -2.377 -1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.077 -2.471 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.154 -4.513 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.861 -4.326 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.461 -5.963 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.364 -4.656 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.712 -4.788 -0.560 1.00 0.00 H new ATOM 40 N LYS A 3 7.126 1.889 -0.690 1.00 0.00 N ATOM 41 CA LYS A 3 7.781 3.145 -0.325 1.00 0.00 C ATOM 42 C LYS A 3 9.237 3.081 -0.723 1.00 0.00 C ATOM 43 O LYS A 3 9.894 2.092 -0.403 1.00 0.00 O ATOM 44 CB LYS A 3 7.600 3.423 1.175 1.00 0.00 C ATOM 45 CG LYS A 3 6.387 4.349 1.331 1.00 0.00 C ATOM 46 CD LYS A 3 6.071 4.603 2.803 1.00 0.00 C ATOM 47 CE LYS A 3 5.072 5.751 2.961 1.00 0.00 C ATOM 48 NZ LYS A 3 4.761 5.996 4.387 1.00 0.00 N ATOM 0 H LYS A 3 7.250 1.137 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 3 7.321 3.976 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.444 2.493 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.494 3.890 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.583 5.297 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.521 3.903 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.663 3.697 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.990 4.840 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.481 6.657 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.155 5.516 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.264 6.904 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.156 5.231 4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.644 6.025 4.935 1.00 0.00 H new ATOM 62 N VAL A 4 9.751 4.127 -1.360 1.00 0.00 N ATOM 63 CA VAL A 4 11.134 4.197 -1.788 1.00 0.00 C ATOM 64 C VAL A 4 11.849 5.301 -1.028 1.00 0.00 C ATOM 65 O VAL A 4 11.298 6.385 -0.810 1.00 0.00 O ATOM 66 CB VAL A 4 11.192 4.368 -3.318 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.550 5.644 -3.869 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.635 4.303 -3.846 1.00 0.00 C ATOM 0 H VAL A 4 9.208 4.958 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 4 11.658 3.270 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 4 10.597 3.528 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.648 5.661 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.494 5.666 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.050 6.515 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.632 4.428 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.225 5.098 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.072 3.337 -3.593 1.00 0.00 H new ATOM 78 N MET A 5 13.095 5.016 -0.667 1.00 0.00 N ATOM 79 CA MET A 5 14.012 6.007 -0.123 1.00 0.00 C ATOM 80 C MET A 5 15.230 6.108 -1.034 1.00 0.00 C ATOM 81 O MET A 5 15.704 5.085 -1.528 1.00 0.00 O ATOM 82 CB MET A 5 14.404 5.640 1.314 1.00 0.00 C ATOM 83 CG MET A 5 15.393 6.645 1.917 1.00 0.00 C ATOM 84 SD MET A 5 14.775 8.345 2.062 1.00 0.00 S ATOM 85 CE MET A 5 14.029 8.270 3.708 1.00 0.00 C ATOM 0 H MET A 5 13.499 4.083 -0.745 1.00 0.00 H new ATOM 0 HA MET A 5 13.527 6.982 -0.083 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.508 5.597 1.934 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.847 4.644 1.325 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.683 6.295 2.908 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.295 6.654 1.305 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.260 9.037 3.794 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.581 7.288 3.860 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.796 8.440 4.463 1.00 0.00 H new ATOM 95 N PHE A 6 15.768 7.318 -1.192 1.00 0.00 N ATOM 96 CA PHE A 6 17.051 7.587 -1.842 1.00 0.00 C ATOM 97 C PHE A 6 17.981 8.225 -0.796 1.00 0.00 C ATOM 98 O PHE A 6 17.531 9.108 -0.063 1.00 0.00 O ATOM 99 CB PHE A 6 16.870 8.499 -3.057 1.00 0.00 C ATOM 100 CG PHE A 6 15.922 7.948 -4.102 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.398 7.047 -5.076 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.564 8.322 -4.091 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.531 6.527 -6.054 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.702 7.777 -5.060 1.00 0.00 C ATOM 105 CZ PHE A 6 14.179 6.894 -6.038 1.00 0.00 C ATOM 0 H PHE A 6 15.307 8.165 -0.860 1.00 0.00 H new ATOM 0 HA PHE A 6 17.489 6.660 -2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.501 9.468 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.843 8.671 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.437 6.753 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.191 9.015 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.904 5.852 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.655 8.043 -5.050 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.503 6.496 -6.781 1.00 0.00 H new ATOM 115 N VAL A 7 19.251 7.817 -0.692 1.00 0.00 N ATOM 116 CA VAL A 7 20.168 8.259 0.365 1.00 0.00 C ATOM 117 C VAL A 7 21.566 8.458 -0.229 1.00 0.00 C ATOM 118 O VAL A 7 22.129 7.498 -0.751 1.00 0.00 O ATOM 119 CB VAL A 7 20.266 7.184 1.478 1.00 0.00 C ATOM 120 CG1 VAL A 7 21.018 7.742 2.696 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.916 6.605 1.921 1.00 0.00 C ATOM 0 H VAL A 7 19.676 7.162 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 7 19.790 9.191 0.786 1.00 0.00 H new ATOM 0 HB VAL A 7 20.819 6.356 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 7 21.079 6.976 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 7 22.024 8.038 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.486 8.609 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.078 5.861 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.286 7.406 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.424 6.136 1.069 1.00 0.00 H new ATOM 131 N CYS A 8 22.180 9.640 -0.103 1.00 0.00 N ATOM 132 CA CYS A 8 23.572 9.864 -0.518 1.00 0.00 C ATOM 133 C CYS A 8 24.388 10.482 0.614 1.00 0.00 C ATOM 134 O CYS A 8 23.856 10.835 1.666 1.00 0.00 O ATOM 135 CB CYS A 8 23.664 10.695 -1.818 1.00 0.00 C ATOM 136 SG CYS A 8 22.427 11.994 -1.945 1.00 0.00 S ATOM 0 H CYS A 8 21.729 10.467 0.288 1.00 0.00 H new ATOM 0 HA CYS A 8 24.007 8.890 -0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 8 24.655 11.144 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 8 23.563 10.026 -2.673 1.00 0.00 H new ATOM 0 HG CYS A 8 23.016 13.153 -1.971 1.00 0.00 H new ATOM 142 N LYS A 9 25.698 10.633 0.396 1.00 0.00 N ATOM 143 CA LYS A 9 26.589 11.333 1.321 1.00 0.00 C ATOM 144 C LYS A 9 26.268 12.833 1.422 1.00 0.00 C ATOM 145 O LYS A 9 26.702 13.472 2.380 1.00 0.00 O ATOM 146 CB LYS A 9 28.046 11.076 0.892 1.00 0.00 C ATOM 147 CG LYS A 9 28.532 9.710 1.405 1.00 0.00 C ATOM 148 CD LYS A 9 29.859 9.309 0.744 1.00 0.00 C ATOM 149 CE LYS A 9 30.531 8.105 1.428 1.00 0.00 C ATOM 150 NZ LYS A 9 31.112 8.444 2.755 1.00 0.00 N ATOM 0 H LYS A 9 26.171 10.270 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 9 26.437 10.940 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.121 11.109 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.689 11.866 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.659 9.749 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 9 27.777 8.952 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.679 9.071 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.541 10.159 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.798 7.307 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.318 7.718 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 31.580 7.605 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 31.808 9.209 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.355 8.755 3.396 1.00 0.00 H new ATOM 164 N ARG A 10 25.505 13.396 0.476 1.00 0.00 N ATOM 165 CA ARG A 10 24.947 14.742 0.540 1.00 0.00 C ATOM 166 C ARG A 10 23.668 14.742 -0.286 1.00 0.00 C ATOM 167 O ARG A 10 23.726 14.781 -1.513 1.00 0.00 O ATOM 168 CB ARG A 10 25.959 15.820 0.098 1.00 0.00 C ATOM 169 CG ARG A 10 26.699 15.586 -1.236 1.00 0.00 C ATOM 170 CD ARG A 10 27.792 16.651 -1.393 1.00 0.00 C ATOM 171 NE ARG A 10 28.667 16.362 -2.538 1.00 0.00 N ATOM 172 CZ ARG A 10 29.998 16.490 -2.595 1.00 0.00 C ATOM 173 NH1 ARG A 10 30.704 16.938 -1.559 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.605 16.157 -3.725 1.00 0.00 N ATOM 0 H ARG A 10 25.254 12.905 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 10 24.713 15.007 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.431 16.771 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.706 15.926 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 10 27.139 14.589 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.999 15.639 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 10 27.331 17.630 -1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.388 16.699 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 10 28.208 16.026 -3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 10 30.231 17.194 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 10 31.718 17.025 -1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.059 15.816 -4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.618 16.242 -3.804 1.00 0.00 H new ATOM 188 N ASN A 11 22.525 14.678 0.407 1.00 0.00 N ATOM 189 CA ASN A 11 21.161 14.663 -0.158 1.00 0.00 C ATOM 190 C ASN A 11 20.987 15.618 -1.346 1.00 0.00 C ATOM 191 O ASN A 11 20.289 15.292 -2.304 1.00 0.00 O ATOM 192 CB ASN A 11 20.155 15.042 0.933 1.00 0.00 C ATOM 193 CG ASN A 11 18.735 15.171 0.378 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.192 16.261 0.289 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.108 14.079 -0.018 1.00 0.00 N ATOM 0 H ASN A 11 22.520 14.633 1.426 1.00 0.00 H new ATOM 0 HA ASN A 11 20.985 13.652 -0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.171 14.287 1.719 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.453 15.985 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.165 14.143 -0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.567 13.171 0.059 1.00 0.00 H new ATOM 202 N SER A 12 21.650 16.773 -1.267 1.00 0.00 N ATOM 203 CA SER A 12 21.672 17.888 -2.195 1.00 0.00 C ATOM 204 C SER A 12 21.637 17.549 -3.687 1.00 0.00 C ATOM 205 O SER A 12 21.078 18.350 -4.440 1.00 0.00 O ATOM 206 CB SER A 12 22.959 18.670 -1.901 1.00 0.00 C ATOM 207 OG SER A 12 23.073 18.925 -0.513 1.00 0.00 O ATOM 0 H SER A 12 22.247 16.963 -0.462 1.00 0.00 H new ATOM 0 HA SER A 12 20.748 18.442 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.824 18.103 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.955 19.611 -2.451 1.00 0.00 H new ATOM 0 HG SER A 12 22.584 19.744 -0.290 1.00 0.00 H new ATOM 213 N CYS A 13 22.216 16.417 -4.114 1.00 0.00 N ATOM 214 CA CYS A 13 22.425 16.126 -5.528 1.00 0.00 C ATOM 215 C CYS A 13 21.705 14.849 -5.974 1.00 0.00 C ATOM 216 O CYS A 13 20.590 14.955 -6.493 1.00 0.00 O ATOM 217 CB CYS A 13 23.932 16.119 -5.840 1.00 0.00 C ATOM 218 SG CYS A 13 24.660 17.727 -5.415 1.00 0.00 S ATOM 0 H CYS A 13 22.549 15.685 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 13 21.970 16.920 -6.120 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.425 15.327 -5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.092 15.906 -6.897 1.00 0.00 H new ATOM 0 HG CYS A 13 25.184 18.261 -6.478 1.00 0.00 H new ATOM 224 N ARG A 14 22.305 13.654 -5.802 1.00 0.00 N ATOM 225 CA ARG A 14 21.746 12.442 -6.424 1.00 0.00 C ATOM 226 C ARG A 14 20.322 12.199 -5.915 1.00 0.00 C ATOM 227 O ARG A 14 19.401 12.027 -6.712 1.00 0.00 O ATOM 228 CB ARG A 14 22.561 11.155 -6.158 1.00 0.00 C ATOM 229 CG ARG A 14 23.608 10.801 -7.211 1.00 0.00 C ATOM 230 CD ARG A 14 24.828 11.713 -7.207 1.00 0.00 C ATOM 231 NE ARG A 14 25.517 11.802 -5.904 1.00 0.00 N ATOM 232 CZ ARG A 14 26.106 10.829 -5.203 1.00 0.00 C ATOM 233 NH1 ARG A 14 26.157 9.584 -5.656 1.00 0.00 N ATOM 234 NH2 ARG A 14 26.652 11.149 -4.038 1.00 0.00 N ATOM 0 H ARG A 14 23.152 13.505 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 14 21.773 12.636 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.062 11.257 -5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.866 10.320 -6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.935 9.774 -7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.143 10.838 -8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.536 11.356 -7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.520 12.713 -7.511 1.00 0.00 H new ATOM 0 HE ARG A 14 25.547 12.730 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.741 9.352 -6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 14 26.612 8.858 -5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.614 12.112 -3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.110 10.432 -3.476 1.00 0.00 H new ATOM 248 N SER A 15 20.165 12.190 -4.587 1.00 0.00 N ATOM 249 CA SER A 15 18.920 11.851 -3.911 1.00 0.00 C ATOM 250 C SER A 15 17.782 12.754 -4.397 1.00 0.00 C ATOM 251 O SER A 15 16.718 12.263 -4.768 1.00 0.00 O ATOM 252 CB SER A 15 19.100 12.075 -2.409 1.00 0.00 C ATOM 253 OG SER A 15 19.535 10.904 -1.751 1.00 0.00 O ATOM 0 H SER A 15 20.920 12.424 -3.943 1.00 0.00 H new ATOM 0 HA SER A 15 18.674 10.811 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.823 12.874 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.156 12.406 -1.975 1.00 0.00 H new ATOM 0 HG SER A 15 20.509 10.932 -1.643 1.00 0.00 H new ATOM 259 N GLN A 16 18.010 14.072 -4.397 1.00 0.00 N ATOM 260 CA GLN A 16 16.986 15.065 -4.704 1.00 0.00 C ATOM 261 C GLN A 16 16.455 14.895 -6.128 1.00 0.00 C ATOM 262 O GLN A 16 15.239 14.905 -6.332 1.00 0.00 O ATOM 263 CB GLN A 16 17.578 16.468 -4.491 1.00 0.00 C ATOM 264 CG GLN A 16 17.534 16.880 -3.012 1.00 0.00 C ATOM 265 CD GLN A 16 16.132 17.222 -2.495 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.211 17.529 -3.245 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.950 17.178 -1.190 1.00 0.00 N ATOM 0 H GLN A 16 18.920 14.479 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 16 16.136 14.926 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.609 16.486 -4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.024 17.192 -5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.944 16.070 -2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.183 17.744 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.723 16.921 -0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.036 17.400 -0.795 1.00 0.00 H new ATOM 276 N MET A 17 17.349 14.701 -7.104 1.00 0.00 N ATOM 277 CA MET A 17 16.933 14.433 -8.474 1.00 0.00 C ATOM 278 C MET A 17 16.179 13.107 -8.566 1.00 0.00 C ATOM 279 O MET A 17 15.099 13.064 -9.158 1.00 0.00 O ATOM 280 CB MET A 17 18.141 14.428 -9.413 1.00 0.00 C ATOM 281 CG MET A 17 18.649 15.848 -9.688 1.00 0.00 C ATOM 282 SD MET A 17 19.724 16.021 -11.140 1.00 0.00 S ATOM 283 CE MET A 17 21.224 15.200 -10.547 1.00 0.00 C ATOM 0 H MET A 17 18.359 14.726 -6.966 1.00 0.00 H new ATOM 0 HA MET A 17 16.258 15.231 -8.784 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.942 13.833 -8.973 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.869 13.950 -10.354 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.789 16.506 -9.813 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.193 16.198 -8.810 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.984 15.223 -11.328 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.597 15.717 -9.663 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.996 14.165 -10.293 1.00 0.00 H new ATOM 293 N ALA A 18 16.712 12.040 -7.955 1.00 0.00 N ATOM 294 CA ALA A 18 16.078 10.728 -7.978 1.00 0.00 C ATOM 295 C ALA A 18 14.648 10.810 -7.444 1.00 0.00 C ATOM 296 O ALA A 18 13.739 10.204 -8.012 1.00 0.00 O ATOM 297 CB ALA A 18 16.905 9.729 -7.164 1.00 0.00 C ATOM 0 H ALA A 18 17.589 12.068 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 18 16.032 10.381 -9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.422 8.752 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.905 9.650 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.978 10.072 -6.132 1.00 0.00 H new ATOM 303 N GLU A 19 14.448 11.602 -6.390 1.00 0.00 N ATOM 304 CA GLU A 19 13.139 11.800 -5.798 1.00 0.00 C ATOM 305 C GLU A 19 12.209 12.491 -6.785 1.00 0.00 C ATOM 306 O GLU A 19 11.151 11.941 -7.082 1.00 0.00 O ATOM 307 CB GLU A 19 13.246 12.531 -4.452 1.00 0.00 C ATOM 308 CG GLU A 19 11.936 13.177 -3.965 1.00 0.00 C ATOM 309 CD GLU A 19 11.937 13.486 -2.455 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.017 13.720 -1.868 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.842 13.494 -1.848 1.00 0.00 O ATOM 0 H GLU A 19 15.194 12.121 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 19 12.697 10.828 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.590 11.824 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.009 13.306 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.766 14.101 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.103 12.511 -4.193 1.00 0.00 H new ATOM 318 N GLY A 20 12.599 13.653 -7.317 1.00 0.00 N ATOM 319 CA GLY A 20 11.765 14.406 -8.244 1.00 0.00 C ATOM 320 C GLY A 20 11.350 13.557 -9.451 1.00 0.00 C ATOM 321 O GLY A 20 10.199 13.647 -9.890 1.00 0.00 O ATOM 0 H GLY A 20 13.497 14.092 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.874 14.762 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.307 15.287 -8.588 1.00 0.00 H new ATOM 325 N PHE A 21 12.239 12.698 -9.972 1.00 0.00 N ATOM 326 CA PHE A 21 11.860 11.799 -11.055 1.00 0.00 C ATOM 327 C PHE A 21 10.855 10.777 -10.518 1.00 0.00 C ATOM 328 O PHE A 21 9.809 10.596 -11.122 1.00 0.00 O ATOM 329 CB PHE A 21 13.068 11.104 -11.714 1.00 0.00 C ATOM 330 CG PHE A 21 14.173 12.008 -12.246 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.896 13.121 -13.066 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.506 11.736 -11.897 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.919 14.031 -13.390 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.540 12.609 -12.275 1.00 0.00 C ATOM 335 CZ PHE A 21 16.239 13.785 -12.979 1.00 0.00 C ATOM 0 H PHE A 21 13.207 12.612 -9.663 1.00 0.00 H new ATOM 0 HA PHE A 21 11.401 12.394 -11.845 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.507 10.423 -10.985 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.701 10.494 -12.539 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.897 13.275 -13.446 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.739 10.846 -11.332 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.688 14.921 -13.956 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.564 12.375 -12.024 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.019 14.498 -13.204 1.00 0.00 H new ATOM 345 N ALA A 22 11.102 10.139 -9.373 1.00 0.00 N ATOM 346 CA ALA A 22 10.254 9.082 -8.827 1.00 0.00 C ATOM 347 C ALA A 22 8.819 9.537 -8.555 1.00 0.00 C ATOM 348 O ALA A 22 7.889 8.833 -8.946 1.00 0.00 O ATOM 349 CB ALA A 22 10.898 8.522 -7.559 1.00 0.00 C ATOM 0 H ALA A 22 11.912 10.347 -8.790 1.00 0.00 H new ATOM 0 HA ALA A 22 10.178 8.301 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.268 7.733 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.880 8.114 -7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.006 9.319 -6.823 1.00 0.00 H new ATOM 355 N LYS A 23 8.598 10.710 -7.950 1.00 0.00 N ATOM 356 CA LYS A 23 7.250 11.243 -7.772 1.00 0.00 C ATOM 357 C LYS A 23 6.594 11.670 -9.086 1.00 0.00 C ATOM 358 O LYS A 23 5.402 11.964 -9.085 1.00 0.00 O ATOM 359 CB LYS A 23 7.195 12.358 -6.719 1.00 0.00 C ATOM 360 CG LYS A 23 8.394 13.306 -6.717 1.00 0.00 C ATOM 361 CD LYS A 23 8.084 14.633 -6.027 1.00 0.00 C ATOM 362 CE LYS A 23 7.378 15.554 -7.027 1.00 0.00 C ATOM 363 NZ LYS A 23 7.030 16.867 -6.428 1.00 0.00 N ATOM 0 H LYS A 23 9.338 11.305 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 23 6.656 10.413 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.289 12.943 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.110 11.902 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.233 12.825 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.705 13.497 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.452 14.467 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.003 15.097 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.022 15.710 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.471 15.069 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.554 17.458 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.394 16.721 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.897 17.343 -6.107 1.00 0.00 H new ATOM 377 N THR A 24 7.314 11.704 -10.203 1.00 0.00 N ATOM 378 CA THR A 24 6.716 11.885 -11.508 1.00 0.00 C ATOM 379 C THR A 24 6.434 10.524 -12.163 1.00 0.00 C ATOM 380 O THR A 24 5.339 10.282 -12.673 1.00 0.00 O ATOM 381 CB THR A 24 7.680 12.748 -12.341 1.00 0.00 C ATOM 382 OG1 THR A 24 8.028 13.931 -11.641 1.00 0.00 O ATOM 383 CG2 THR A 24 7.026 13.151 -13.655 1.00 0.00 C ATOM 0 H THR A 24 8.329 11.606 -10.222 1.00 0.00 H new ATOM 0 HA THR A 24 5.753 12.391 -11.434 1.00 0.00 H new ATOM 0 HB THR A 24 8.574 12.154 -12.530 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.790 13.750 -11.052 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.719 13.761 -14.234 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.768 12.257 -14.222 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.122 13.724 -13.451 1.00 0.00 H new ATOM 391 N LEU A 25 7.423 9.632 -12.136 1.00 0.00 N ATOM 392 CA LEU A 25 7.460 8.372 -12.864 1.00 0.00 C ATOM 393 C LEU A 25 6.579 7.313 -12.219 1.00 0.00 C ATOM 394 O LEU A 25 5.907 6.558 -12.921 1.00 0.00 O ATOM 395 CB LEU A 25 8.907 7.848 -12.880 1.00 0.00 C ATOM 396 CG LEU A 25 9.908 8.686 -13.695 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.308 8.144 -13.409 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.611 8.625 -15.197 1.00 0.00 C ATOM 0 H LEU A 25 8.262 9.780 -11.575 1.00 0.00 H new ATOM 0 HA LEU A 25 7.090 8.561 -13.872 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.264 7.787 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.903 6.833 -13.277 1.00 0.00 H new ATOM 0 HG LEU A 25 9.828 9.733 -13.401 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.043 8.718 -13.973 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.521 8.230 -12.343 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.360 7.097 -13.706 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.340 9.229 -15.737 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.672 7.592 -15.538 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.609 9.010 -15.386 1.00 0.00 H new ATOM 410 N GLY A 26 6.602 7.257 -10.888 1.00 0.00 N ATOM 411 CA GLY A 26 6.007 6.174 -10.125 1.00 0.00 C ATOM 412 C GLY A 26 4.943 6.593 -9.124 1.00 0.00 C ATOM 413 O GLY A 26 4.338 5.704 -8.519 1.00 0.00 O ATOM 0 H GLY A 26 7.040 7.973 -10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.566 5.460 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.799 5.650 -9.590 1.00 0.00 H new ATOM 417 N ALA A 27 4.682 7.891 -8.937 1.00 0.00 N ATOM 418 CA ALA A 27 3.531 8.338 -8.161 1.00 0.00 C ATOM 419 C ALA A 27 2.262 7.692 -8.736 1.00 0.00 C ATOM 420 O ALA A 27 1.863 7.992 -9.864 1.00 0.00 O ATOM 421 CB ALA A 27 3.449 9.869 -8.149 1.00 0.00 C ATOM 0 H ALA A 27 5.254 8.646 -9.314 1.00 0.00 H new ATOM 0 HA ALA A 27 3.636 8.024 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.584 10.182 -7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.355 10.278 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.350 10.236 -9.171 1.00 0.00 H new ATOM 427 N GLY A 28 1.678 6.762 -7.976 1.00 0.00 N ATOM 428 CA GLY A 28 0.597 5.881 -8.414 1.00 0.00 C ATOM 429 C GLY A 28 0.825 4.440 -7.945 1.00 0.00 C ATOM 430 O GLY A 28 -0.142 3.737 -7.647 1.00 0.00 O ATOM 0 H GLY A 28 1.955 6.598 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.353 6.246 -8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.525 5.904 -9.501 1.00 0.00 H new ATOM 434 N LYS A 29 2.091 4.016 -7.807 1.00 0.00 N ATOM 435 CA LYS A 29 2.481 2.722 -7.230 1.00 0.00 C ATOM 436 C LYS A 29 3.516 2.882 -6.125 1.00 0.00 C ATOM 437 O LYS A 29 3.609 2.009 -5.260 1.00 0.00 O ATOM 438 CB LYS A 29 2.992 1.745 -8.305 1.00 0.00 C ATOM 439 CG LYS A 29 4.339 2.113 -8.962 1.00 0.00 C ATOM 440 CD LYS A 29 4.213 2.953 -10.231 1.00 0.00 C ATOM 441 CE LYS A 29 3.748 2.082 -11.408 1.00 0.00 C ATOM 442 NZ LYS A 29 3.660 2.838 -12.683 1.00 0.00 N ATOM 0 H LYS A 29 2.890 4.578 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 29 1.579 2.298 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.087 0.757 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.237 1.668 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.945 2.658 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.876 1.195 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.503 3.764 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.173 3.412 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.439 1.248 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.772 1.656 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.342 2.202 -13.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.981 3.618 -12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.596 3.223 -12.923 1.00 0.00 H new ATOM 456 N ILE A 30 4.259 3.990 -6.126 1.00 0.00 N ATOM 457 CA ILE A 30 5.223 4.293 -5.084 1.00 0.00 C ATOM 458 C ILE A 30 4.974 5.655 -4.456 1.00 0.00 C ATOM 459 O ILE A 30 4.389 6.550 -5.069 1.00 0.00 O ATOM 460 CB ILE A 30 6.677 4.193 -5.597 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.962 5.070 -6.833 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.056 2.739 -5.891 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.444 5.413 -7.021 1.00 0.00 C ATOM 0 H ILE A 30 4.204 4.701 -6.855 1.00 0.00 H new ATOM 0 HA ILE A 30 5.086 3.537 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 30 7.298 4.579 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.603 4.554 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.392 5.996 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.084 2.697 -6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.966 2.148 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.388 2.336 -6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.564 6.032 -7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.805 5.958 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.018 4.494 -7.138 1.00 0.00 H new ATOM 475 N ALA A 31 5.483 5.788 -3.234 1.00 0.00 N ATOM 476 CA ALA A 31 5.596 7.024 -2.487 1.00 0.00 C ATOM 477 C ALA A 31 7.079 7.159 -2.164 1.00 0.00 C ATOM 478 O ALA A 31 7.711 6.190 -1.734 1.00 0.00 O ATOM 479 CB ALA A 31 4.753 6.949 -1.210 1.00 0.00 C ATOM 0 H ALA A 31 5.846 4.988 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 31 5.231 7.885 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.846 7.884 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.708 6.786 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.104 6.124 -0.590 1.00 0.00 H new ATOM 485 N VAL A 32 7.640 8.337 -2.401 1.00 0.00 N ATOM 486 CA VAL A 32 9.061 8.582 -2.338 1.00 0.00 C ATOM 487 C VAL A 32 9.420 9.596 -1.257 1.00 0.00 C ATOM 488 O VAL A 32 8.662 10.524 -0.961 1.00 0.00 O ATOM 489 CB VAL A 32 9.494 9.063 -3.734 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.642 10.183 -4.347 1.00 0.00 C ATOM 491 CG2 VAL A 32 10.956 9.510 -3.744 1.00 0.00 C ATOM 0 H VAL A 32 7.099 9.166 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 32 9.590 7.669 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 32 9.345 8.181 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.036 10.444 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.611 9.842 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.673 11.059 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.228 9.843 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.090 10.331 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.594 8.675 -3.454 1.00 0.00 H new ATOM 501 N THR A 33 10.632 9.416 -0.743 1.00 0.00 N ATOM 502 CA THR A 33 11.353 10.330 0.104 1.00 0.00 C ATOM 503 C THR A 33 12.825 10.187 -0.302 1.00 0.00 C ATOM 504 O THR A 33 13.244 9.139 -0.802 1.00 0.00 O ATOM 505 CB THR A 33 11.161 9.965 1.593 1.00 0.00 C ATOM 506 OG1 THR A 33 9.799 9.780 1.930 1.00 0.00 O ATOM 507 CG2 THR A 33 11.733 11.033 2.535 1.00 0.00 C ATOM 0 H THR A 33 11.164 8.565 -0.926 1.00 0.00 H new ATOM 0 HA THR A 33 10.998 11.354 -0.013 1.00 0.00 H new ATOM 0 HB THR A 33 11.704 9.029 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.735 9.274 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.573 10.729 3.569 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.801 11.146 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.232 11.984 2.354 1.00 0.00 H new ATOM 515 N SER A 34 13.623 11.230 -0.124 1.00 0.00 N ATOM 516 CA SER A 34 15.061 11.162 -0.220 1.00 0.00 C ATOM 517 C SER A 34 15.654 11.843 1.007 1.00 0.00 C ATOM 518 O SER A 34 15.004 12.675 1.651 1.00 0.00 O ATOM 519 CB SER A 34 15.544 11.745 -1.538 1.00 0.00 C ATOM 520 OG SER A 34 15.522 13.159 -1.580 1.00 0.00 O ATOM 0 H SER A 34 13.275 12.163 0.095 1.00 0.00 H new ATOM 0 HA SER A 34 15.403 10.127 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.561 11.401 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.923 11.357 -2.345 1.00 0.00 H new ATOM 0 HG SER A 34 14.607 13.476 -1.433 1.00 0.00 H new ATOM 526 N CYS A 35 16.889 11.486 1.344 1.00 0.00 N ATOM 527 CA CYS A 35 17.608 12.036 2.468 1.00 0.00 C ATOM 528 C CYS A 35 19.094 11.857 2.154 1.00 0.00 C ATOM 529 O CYS A 35 19.471 11.685 0.984 1.00 0.00 O ATOM 530 CB CYS A 35 17.139 11.351 3.764 1.00 0.00 C ATOM 531 SG CYS A 35 17.511 9.578 3.760 1.00 0.00 S ATOM 0 H CYS A 35 17.423 10.789 0.825 1.00 0.00 H new ATOM 0 HA CYS A 35 17.418 13.097 2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.623 11.822 4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 35 16.066 11.497 3.884 1.00 0.00 H new ATOM 0 HG CYS A 35 16.642 8.954 3.022 1.00 0.00 H new ATOM 537 N GLY A 36 19.945 11.901 3.167 1.00 0.00 N ATOM 538 CA GLY A 36 21.339 11.543 3.051 1.00 0.00 C ATOM 539 C GLY A 36 21.857 11.134 4.418 1.00 0.00 C ATOM 540 O GLY A 36 21.217 11.432 5.433 1.00 0.00 O ATOM 0 H GLY A 36 19.676 12.192 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.460 10.724 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.914 12.386 2.667 1.00 0.00 H new ATOM 544 N LEU A 37 23.017 10.463 4.438 1.00 0.00 N ATOM 545 CA LEU A 37 23.738 10.124 5.671 1.00 0.00 C ATOM 546 C LEU A 37 23.947 11.389 6.509 1.00 0.00 C ATOM 547 O LEU A 37 23.896 11.348 7.738 1.00 0.00 O ATOM 548 CB LEU A 37 25.082 9.446 5.347 1.00 0.00 C ATOM 549 CG LEU A 37 24.956 7.990 4.853 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.313 7.499 4.338 1.00 0.00 C ATOM 551 CD2 LEU A 37 24.467 7.045 5.961 1.00 0.00 C ATOM 0 H LEU A 37 23.484 10.138 3.592 1.00 0.00 H new ATOM 0 HA LEU A 37 23.143 9.416 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.597 10.032 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.708 9.462 6.239 1.00 0.00 H new ATOM 0 HG LEU A 37 24.218 7.981 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.220 6.470 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 37 26.640 8.133 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.046 7.544 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.393 6.031 5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.173 7.062 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.487 7.371 6.311 1.00 0.00 H new ATOM 563 N GLU A 38 24.139 12.509 5.817 1.00 0.00 N ATOM 564 CA GLU A 38 24.135 13.869 6.310 1.00 0.00 C ATOM 565 C GLU A 38 23.462 14.651 5.175 1.00 0.00 C ATOM 566 O GLU A 38 23.642 14.305 3.997 1.00 0.00 O ATOM 567 CB GLU A 38 25.563 14.388 6.560 1.00 0.00 C ATOM 568 CG GLU A 38 26.266 13.696 7.736 1.00 0.00 C ATOM 569 CD GLU A 38 27.638 14.331 8.025 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.714 15.295 8.821 1.00 0.00 O ATOM 571 OE2 GLU A 38 28.662 13.862 7.478 1.00 0.00 O ATOM 0 H GLU A 38 24.316 12.477 4.813 1.00 0.00 H new ATOM 0 HA GLU A 38 23.623 13.966 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.157 14.246 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.524 15.461 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.639 13.761 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.394 12.637 7.513 1.00 0.00 H new ATOM 578 N SER A 39 22.703 15.694 5.510 1.00 0.00 N ATOM 579 CA SER A 39 21.980 16.489 4.520 1.00 0.00 C ATOM 580 C SER A 39 22.341 17.974 4.622 1.00 0.00 C ATOM 581 O SER A 39 22.620 18.493 5.707 1.00 0.00 O ATOM 582 CB SER A 39 20.477 16.241 4.645 1.00 0.00 C ATOM 583 OG SER A 39 20.208 14.908 4.252 1.00 0.00 O ATOM 0 H SER A 39 22.573 16.010 6.471 1.00 0.00 H new ATOM 0 HA SER A 39 22.285 16.171 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.150 16.407 5.671 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.924 16.940 4.017 1.00 0.00 H new ATOM 0 HG SER A 39 19.239 14.773 4.196 1.00 0.00 H new ATOM 589 N SER A 40 22.297 18.639 3.468 1.00 0.00 N ATOM 590 CA SER A 40 22.547 20.058 3.239 1.00 0.00 C ATOM 591 C SER A 40 21.569 20.496 2.139 1.00 0.00 C ATOM 592 O SER A 40 20.929 19.635 1.526 1.00 0.00 O ATOM 593 CB SER A 40 24.005 20.261 2.794 1.00 0.00 C ATOM 594 OG SER A 40 24.921 19.750 3.753 1.00 0.00 O ATOM 0 H SER A 40 22.066 18.157 2.599 1.00 0.00 H new ATOM 0 HA SER A 40 22.398 20.649 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.166 19.766 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.194 21.323 2.639 1.00 0.00 H new ATOM 0 HG SER A 40 25.838 19.894 3.438 1.00 0.00 H new ATOM 600 N ARG A 41 21.417 21.805 1.888 1.00 0.00 N ATOM 601 CA ARG A 41 20.404 22.327 0.967 1.00 0.00 C ATOM 602 C ARG A 41 20.488 21.687 -0.417 1.00 0.00 C ATOM 603 O ARG A 41 21.536 21.178 -0.819 1.00 0.00 O ATOM 604 CB ARG A 41 20.462 23.865 0.874 1.00 0.00 C ATOM 605 CG ARG A 41 21.685 24.417 0.117 1.00 0.00 C ATOM 606 CD ARG A 41 21.492 25.912 -0.161 1.00 0.00 C ATOM 607 NE ARG A 41 22.591 26.476 -0.964 1.00 0.00 N ATOM 608 CZ ARG A 41 22.649 26.537 -2.302 1.00 0.00 C ATOM 609 NH1 ARG A 41 21.771 25.885 -3.066 1.00 0.00 N ATOM 610 NH2 ARG A 41 23.600 27.267 -2.877 1.00 0.00 N ATOM 0 H ARG A 41 21.993 22.528 2.319 1.00 0.00 H new ATOM 0 HA ARG A 41 19.435 22.053 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 41 19.556 24.220 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.460 24.277 1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.589 24.261 0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.818 23.877 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.548 26.063 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.423 26.450 0.785 1.00 0.00 H new ATOM 0 HE ARG A 41 23.386 26.858 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.036 25.325 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.835 25.946 -4.082 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.274 27.772 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 41 23.656 27.322 -3.894 1.00 0.00 H new ATOM 624 N VAL A 42 19.389 21.761 -1.156 1.00 0.00 N ATOM 625 CA VAL A 42 19.316 21.260 -2.522 1.00 0.00 C ATOM 626 C VAL A 42 20.310 22.060 -3.372 1.00 0.00 C ATOM 627 O VAL A 42 20.410 23.285 -3.231 1.00 0.00 O ATOM 628 CB VAL A 42 17.867 21.333 -3.046 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.758 20.645 -4.415 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.891 20.667 -2.057 1.00 0.00 C ATOM 0 H VAL A 42 18.518 22.173 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 42 19.594 20.207 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 42 17.600 22.385 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.730 20.705 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.418 21.142 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.049 19.599 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.876 20.731 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.164 19.620 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.942 21.178 -1.096 1.00 0.00 H new ATOM 640 N HIS A 43 21.064 21.367 -4.227 1.00 0.00 N ATOM 641 CA HIS A 43 22.024 21.986 -5.130 1.00 0.00 C ATOM 642 C HIS A 43 21.257 22.684 -6.270 1.00 0.00 C ATOM 643 O HIS A 43 20.242 22.148 -6.717 1.00 0.00 O ATOM 644 CB HIS A 43 22.973 20.884 -5.618 1.00 0.00 C ATOM 645 CG HIS A 43 24.238 21.405 -6.239 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.483 21.547 -7.583 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.347 21.859 -5.575 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.708 22.081 -7.726 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.280 22.287 -6.528 1.00 0.00 N ATOM 0 H HIS A 43 21.022 20.351 -4.310 1.00 0.00 H new ATOM 0 HA HIS A 43 22.623 22.755 -4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.230 20.240 -4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.451 20.263 -6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.479 21.883 -4.503 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.170 22.313 -8.674 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.206 22.676 -6.349 1.00 0.00 H new ATOM 657 N PRO A 44 21.694 23.851 -6.779 1.00 0.00 N ATOM 658 CA PRO A 44 20.869 24.637 -7.690 1.00 0.00 C ATOM 659 C PRO A 44 20.827 24.056 -9.099 1.00 0.00 C ATOM 660 O PRO A 44 19.760 23.985 -9.692 1.00 0.00 O ATOM 661 CB PRO A 44 21.467 26.046 -7.656 1.00 0.00 C ATOM 662 CG PRO A 44 22.947 25.806 -7.354 1.00 0.00 C ATOM 663 CD PRO A 44 22.961 24.522 -6.520 1.00 0.00 C ATOM 0 HA PRO A 44 19.825 24.636 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 44 21.331 26.561 -8.607 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.997 26.662 -6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.526 25.691 -8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.381 26.641 -6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.801 23.887 -6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.071 24.749 -5.460 1.00 0.00 H new ATOM 671 N THR A 45 21.935 23.570 -9.649 1.00 0.00 N ATOM 672 CA THR A 45 21.946 23.064 -11.020 1.00 0.00 C ATOM 673 C THR A 45 21.104 21.779 -11.166 1.00 0.00 C ATOM 674 O THR A 45 20.671 21.429 -12.267 1.00 0.00 O ATOM 675 CB THR A 45 23.421 22.861 -11.404 1.00 0.00 C ATOM 676 OG1 THR A 45 24.173 24.010 -11.043 1.00 0.00 O ATOM 677 CG2 THR A 45 23.664 22.540 -12.878 1.00 0.00 C ATOM 0 H THR A 45 22.834 23.515 -9.170 1.00 0.00 H new ATOM 0 HA THR A 45 21.479 23.775 -11.702 1.00 0.00 H new ATOM 0 HB THR A 45 23.747 21.981 -10.850 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.112 23.876 -11.288 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.733 22.414 -13.052 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.143 21.619 -13.141 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.290 23.357 -13.495 1.00 0.00 H new ATOM 685 N ALA A 46 20.787 21.117 -10.046 1.00 0.00 N ATOM 686 CA ALA A 46 19.830 20.021 -9.999 1.00 0.00 C ATOM 687 C ALA A 46 18.485 20.461 -10.570 1.00 0.00 C ATOM 688 O ALA A 46 17.836 19.707 -11.294 1.00 0.00 O ATOM 689 CB ALA A 46 19.619 19.636 -8.538 1.00 0.00 C ATOM 0 H ALA A 46 21.198 21.336 -9.138 1.00 0.00 H new ATOM 0 HA ALA A 46 20.214 19.185 -10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.904 18.815 -8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.568 19.323 -8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.233 20.494 -7.988 1.00 0.00 H new ATOM 695 N ILE A 47 18.076 21.694 -10.251 1.00 0.00 N ATOM 696 CA ILE A 47 16.825 22.256 -10.685 1.00 0.00 C ATOM 697 C ILE A 47 16.811 22.220 -12.211 1.00 0.00 C ATOM 698 O ILE A 47 15.854 21.737 -12.807 1.00 0.00 O ATOM 699 CB ILE A 47 16.716 23.697 -10.144 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.749 23.745 -8.597 1.00 0.00 C ATOM 701 CG2 ILE A 47 15.459 24.366 -10.691 1.00 0.00 C ATOM 702 CD1 ILE A 47 17.109 25.135 -8.063 1.00 0.00 C ATOM 0 H ILE A 47 18.627 22.328 -9.673 1.00 0.00 H new ATOM 0 HA ILE A 47 15.970 21.694 -10.309 1.00 0.00 H new ATOM 0 HB ILE A 47 17.589 24.251 -10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.775 23.450 -8.206 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.474 23.019 -8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.390 25.383 -10.304 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.506 24.395 -11.780 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.581 23.799 -10.381 1.00 0.00 H new ATOM 0 HD11 ILE A 47 17.119 25.115 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 47 18.095 25.421 -8.429 1.00 0.00 H new ATOM 0 HD13 ILE A 47 16.370 25.859 -8.406 1.00 0.00 H new ATOM 714 N ALA A 48 17.900 22.687 -12.831 1.00 0.00 N ATOM 715 CA ALA A 48 18.006 22.829 -14.265 1.00 0.00 C ATOM 716 C ALA A 48 17.881 21.486 -14.979 1.00 0.00 C ATOM 717 O ALA A 48 17.244 21.417 -16.024 1.00 0.00 O ATOM 718 CB ALA A 48 19.319 23.528 -14.627 1.00 0.00 C ATOM 0 H ALA A 48 18.740 22.978 -12.331 1.00 0.00 H new ATOM 0 HA ALA A 48 17.175 23.446 -14.606 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.390 23.631 -15.710 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.344 24.516 -14.166 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.159 22.936 -14.263 1.00 0.00 H new ATOM 724 N MET A 49 18.437 20.416 -14.406 1.00 0.00 N ATOM 725 CA MET A 49 18.289 19.065 -14.955 1.00 0.00 C ATOM 726 C MET A 49 16.827 18.637 -14.986 1.00 0.00 C ATOM 727 O MET A 49 16.300 18.123 -15.978 1.00 0.00 O ATOM 728 CB MET A 49 19.084 18.063 -14.106 1.00 0.00 C ATOM 729 CG MET A 49 20.558 18.068 -14.470 1.00 0.00 C ATOM 730 SD MET A 49 20.867 17.699 -16.223 1.00 0.00 S ATOM 731 CE MET A 49 21.755 19.197 -16.763 1.00 0.00 C ATOM 0 H MET A 49 18.998 20.460 -13.555 1.00 0.00 H new ATOM 0 HA MET A 49 18.672 19.078 -15.975 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.969 18.308 -13.050 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.677 17.062 -14.248 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.981 19.044 -14.231 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.080 17.335 -13.854 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.467 19.442 -17.786 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.500 20.028 -16.106 1.00 0.00 H new ATOM 0 HE3 MET A 49 22.829 19.018 -16.721 1.00 0.00 H new ATOM 741 N MET A 50 16.154 18.850 -13.868 1.00 0.00 N ATOM 742 CA MET A 50 14.774 18.449 -13.731 1.00 0.00 C ATOM 743 C MET A 50 13.901 19.322 -14.618 1.00 0.00 C ATOM 744 O MET A 50 12.977 18.802 -15.235 1.00 0.00 O ATOM 745 CB MET A 50 14.410 18.457 -12.250 1.00 0.00 C ATOM 746 CG MET A 50 15.267 17.371 -11.574 1.00 0.00 C ATOM 747 SD MET A 50 14.438 16.454 -10.262 1.00 0.00 S ATOM 748 CE MET A 50 13.140 15.669 -11.218 1.00 0.00 C ATOM 0 H MET A 50 16.547 19.301 -13.042 1.00 0.00 H new ATOM 0 HA MET A 50 14.604 17.430 -14.079 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.607 19.434 -11.809 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.348 18.253 -12.112 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.600 16.666 -12.335 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.160 17.839 -11.161 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.168 15.994 -10.847 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.240 15.949 -12.267 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.222 14.586 -11.122 1.00 0.00 H new ATOM 758 N GLU A 51 14.261 20.589 -14.807 1.00 0.00 N ATOM 759 CA GLU A 51 13.625 21.458 -15.781 1.00 0.00 C ATOM 760 C GLU A 51 13.800 20.929 -17.207 1.00 0.00 C ATOM 761 O GLU A 51 12.913 21.143 -18.033 1.00 0.00 O ATOM 762 CB GLU A 51 14.188 22.879 -15.655 1.00 0.00 C ATOM 763 CG GLU A 51 13.548 23.666 -14.502 1.00 0.00 C ATOM 764 CD GLU A 51 13.977 25.145 -14.518 1.00 0.00 C ATOM 765 OE1 GLU A 51 15.180 25.448 -14.358 1.00 0.00 O ATOM 766 OE2 GLU A 51 13.104 26.027 -14.693 1.00 0.00 O ATOM 0 H GLU A 51 15.009 21.041 -14.281 1.00 0.00 H new ATOM 0 HA GLU A 51 12.555 21.478 -15.573 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.266 22.827 -15.501 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.026 23.415 -16.590 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.462 23.601 -14.575 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.831 23.215 -13.551 1.00 0.00 H new ATOM 773 N GLU A 52 14.884 20.201 -17.505 1.00 0.00 N ATOM 774 CA GLU A 52 15.044 19.552 -18.804 1.00 0.00 C ATOM 775 C GLU A 52 13.989 18.463 -18.990 1.00 0.00 C ATOM 776 O GLU A 52 13.476 18.285 -20.098 1.00 0.00 O ATOM 777 CB GLU A 52 16.444 18.959 -19.052 1.00 0.00 C ATOM 778 CG GLU A 52 17.596 19.935 -18.784 1.00 0.00 C ATOM 779 CD GLU A 52 18.800 19.699 -19.706 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.593 18.758 -19.472 1.00 0.00 O ATOM 781 OE2 GLU A 52 18.974 20.470 -20.677 1.00 0.00 O ATOM 0 H GLU A 52 15.661 20.049 -16.861 1.00 0.00 H new ATOM 0 HA GLU A 52 14.912 20.345 -19.540 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.572 18.081 -18.419 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.504 18.618 -20.086 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.239 20.957 -18.914 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.914 19.839 -17.746 1.00 0.00 H new ATOM 788 N VAL A 53 13.640 17.752 -17.913 1.00 0.00 N ATOM 789 CA VAL A 53 12.579 16.738 -17.967 1.00 0.00 C ATOM 790 C VAL A 53 11.188 17.401 -17.948 1.00 0.00 C ATOM 791 O VAL A 53 10.228 16.834 -18.474 1.00 0.00 O ATOM 792 CB VAL A 53 12.759 15.709 -16.830 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.804 14.511 -16.956 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.188 15.152 -16.831 1.00 0.00 C ATOM 0 H VAL A 53 14.074 17.858 -16.996 1.00 0.00 H new ATOM 0 HA VAL A 53 12.655 16.194 -18.908 1.00 0.00 H new ATOM 0 HB VAL A 53 12.540 16.246 -15.907 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.975 13.821 -16.130 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.773 14.863 -16.927 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.986 13.999 -17.901 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.297 14.428 -16.023 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.388 14.664 -17.785 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.896 15.967 -16.686 1.00 0.00 H new ATOM 804 N GLY A 54 11.072 18.606 -17.383 1.00 0.00 N ATOM 805 CA GLY A 54 9.808 19.311 -17.188 1.00 0.00 C ATOM 806 C GLY A 54 9.307 19.175 -15.747 1.00 0.00 C ATOM 807 O GLY A 54 8.097 19.193 -15.515 1.00 0.00 O ATOM 0 H GLY A 54 11.878 19.130 -17.041 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.937 20.366 -17.432 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.059 18.915 -17.874 1.00 0.00 H new ATOM 811 N ILE A 55 10.224 19.007 -14.790 1.00 0.00 N ATOM 812 CA ILE A 55 9.954 18.907 -13.355 1.00 0.00 C ATOM 813 C ILE A 55 10.776 20.027 -12.672 1.00 0.00 C ATOM 814 O ILE A 55 11.430 20.825 -13.346 1.00 0.00 O ATOM 815 CB ILE A 55 10.278 17.467 -12.865 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.682 16.342 -13.755 1.00 0.00 C ATOM 817 CG2 ILE A 55 9.794 17.207 -11.420 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.558 15.090 -13.702 1.00 0.00 C ATOM 0 H ILE A 55 11.218 18.934 -15.005 1.00 0.00 H new ATOM 0 HA ILE A 55 8.905 19.059 -13.100 1.00 0.00 H new ATOM 0 HB ILE A 55 11.366 17.427 -12.921 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.674 16.101 -13.418 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.600 16.691 -14.784 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.046 16.187 -11.130 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.280 17.908 -10.742 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.714 17.342 -11.368 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.123 14.314 -14.332 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.559 15.330 -14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.618 14.731 -12.674 1.00 0.00 H new ATOM 830 N ASP A 56 10.745 20.123 -11.344 1.00 0.00 N ATOM 831 CA ASP A 56 11.442 21.136 -10.552 1.00 0.00 C ATOM 832 C ASP A 56 11.878 20.520 -9.220 1.00 0.00 C ATOM 833 O ASP A 56 11.264 19.551 -8.765 1.00 0.00 O ATOM 834 CB ASP A 56 10.489 22.312 -10.284 1.00 0.00 C ATOM 835 CG ASP A 56 11.078 23.284 -9.255 1.00 0.00 C ATOM 836 OD1 ASP A 56 12.205 23.776 -9.489 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.467 23.482 -8.182 1.00 0.00 O ATOM 0 H ASP A 56 10.213 19.472 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 56 12.318 21.492 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.291 22.842 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.533 21.933 -9.923 1.00 0.00 H new ATOM 842 N ILE A 57 12.900 21.102 -8.582 1.00 0.00 N ATOM 843 CA ILE A 57 13.296 20.772 -7.213 1.00 0.00 C ATOM 844 C ILE A 57 13.394 22.017 -6.317 1.00 0.00 C ATOM 845 O ILE A 57 13.361 21.869 -5.098 1.00 0.00 O ATOM 846 CB ILE A 57 14.591 19.933 -7.140 1.00 0.00 C ATOM 847 CG1 ILE A 57 15.045 19.255 -8.443 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.410 18.868 -6.053 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.342 18.468 -8.245 1.00 0.00 C ATOM 0 H ILE A 57 13.481 21.824 -9.009 1.00 0.00 H new ATOM 0 HA ILE A 57 12.493 20.146 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 57 15.385 20.645 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.262 18.584 -8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.191 20.010 -9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.313 18.262 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.224 19.354 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.564 18.229 -6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.632 18.002 -9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.131 19.144 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.188 17.696 -7.491 1.00 0.00 H new ATOM 861 N SER A 58 13.456 23.228 -6.879 1.00 0.00 N ATOM 862 CA SER A 58 13.412 24.495 -6.140 1.00 0.00 C ATOM 863 C SER A 58 12.311 24.519 -5.063 1.00 0.00 C ATOM 864 O SER A 58 12.510 25.074 -3.980 1.00 0.00 O ATOM 865 CB SER A 58 13.144 25.666 -7.100 1.00 0.00 C ATOM 866 OG SER A 58 13.737 25.484 -8.360 1.00 0.00 O ATOM 0 H SER A 58 13.540 23.358 -7.887 1.00 0.00 H new ATOM 0 HA SER A 58 14.383 24.593 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.068 25.789 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.521 26.587 -6.656 1.00 0.00 H new ATOM 0 HG SER A 58 13.116 25.004 -8.947 1.00 0.00 H new ATOM 872 N GLY A 59 11.148 23.928 -5.366 1.00 0.00 N ATOM 873 CA GLY A 59 9.957 23.965 -4.528 1.00 0.00 C ATOM 874 C GLY A 59 9.986 22.991 -3.347 1.00 0.00 C ATOM 875 O GLY A 59 9.068 23.035 -2.525 1.00 0.00 O ATOM 0 H GLY A 59 11.013 23.398 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.828 24.977 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.086 23.744 -5.145 1.00 0.00 H new ATOM 879 N GLN A 60 11.004 22.129 -3.233 1.00 0.00 N ATOM 880 CA GLN A 60 11.170 21.176 -2.149 1.00 0.00 C ATOM 881 C GLN A 60 12.546 21.333 -1.489 1.00 0.00 C ATOM 882 O GLN A 60 13.421 22.033 -2.004 1.00 0.00 O ATOM 883 CB GLN A 60 10.876 19.757 -2.665 1.00 0.00 C ATOM 884 CG GLN A 60 11.908 19.181 -3.647 1.00 0.00 C ATOM 885 CD GLN A 60 11.604 17.740 -4.069 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.459 17.353 -4.290 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.629 16.916 -4.208 1.00 0.00 N ATOM 0 H GLN A 60 11.756 22.081 -3.921 1.00 0.00 H new ATOM 0 HA GLN A 60 10.450 21.376 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.802 19.086 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.901 19.761 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.946 19.812 -4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.896 19.217 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.577 17.245 -4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.472 15.952 -4.501 1.00 0.00 H new ATOM 896 N THR A 61 12.732 20.692 -0.336 1.00 0.00 N ATOM 897 CA THR A 61 13.886 20.894 0.533 1.00 0.00 C ATOM 898 C THR A 61 14.563 19.567 0.886 1.00 0.00 C ATOM 899 O THR A 61 14.034 18.481 0.620 1.00 0.00 O ATOM 900 CB THR A 61 13.422 21.667 1.786 1.00 0.00 C ATOM 901 OG1 THR A 61 12.255 21.093 2.358 1.00 0.00 O ATOM 902 CG2 THR A 61 13.074 23.111 1.418 1.00 0.00 C ATOM 0 H THR A 61 12.071 20.005 0.026 1.00 0.00 H new ATOM 0 HA THR A 61 14.643 21.482 0.013 1.00 0.00 H new ATOM 0 HB THR A 61 14.244 21.624 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.992 21.607 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.748 23.645 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.953 23.602 1.002 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.272 23.115 0.680 1.00 0.00 H new ATOM 910 N SER A 62 15.753 19.666 1.475 1.00 0.00 N ATOM 911 CA SER A 62 16.529 18.533 1.956 1.00 0.00 C ATOM 912 C SER A 62 16.056 18.078 3.340 1.00 0.00 C ATOM 913 O SER A 62 15.372 18.824 4.047 1.00 0.00 O ATOM 914 CB SER A 62 17.998 18.944 1.996 1.00 0.00 C ATOM 915 OG SER A 62 18.407 19.480 0.756 1.00 0.00 O ATOM 0 H SER A 62 16.213 20.562 1.633 1.00 0.00 H new ATOM 0 HA SER A 62 16.393 17.688 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.152 19.682 2.784 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.614 18.080 2.244 1.00 0.00 H new ATOM 0 HG SER A 62 19.385 19.525 0.726 1.00 0.00 H new ATOM 921 N ASP A 63 16.442 16.861 3.738 1.00 0.00 N ATOM 922 CA ASP A 63 16.079 16.274 5.030 1.00 0.00 C ATOM 923 C ASP A 63 17.103 15.194 5.408 1.00 0.00 C ATOM 924 O ASP A 63 17.584 14.508 4.501 1.00 0.00 O ATOM 925 CB ASP A 63 14.676 15.659 4.917 1.00 0.00 C ATOM 926 CG ASP A 63 13.992 15.607 6.285 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.592 16.673 6.806 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.821 14.501 6.829 1.00 0.00 O ATOM 0 H ASP A 63 17.022 16.249 3.164 1.00 0.00 H new ATOM 0 HA ASP A 63 16.078 17.041 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.072 16.246 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.747 14.653 4.503 1.00 0.00 H new ATOM 933 N PRO A 64 17.517 15.041 6.679 1.00 0.00 N ATOM 934 CA PRO A 64 18.511 14.042 7.075 1.00 0.00 C ATOM 935 C PRO A 64 17.866 12.659 7.257 1.00 0.00 C ATOM 936 O PRO A 64 16.703 12.550 7.651 1.00 0.00 O ATOM 937 CB PRO A 64 19.074 14.568 8.398 1.00 0.00 C ATOM 938 CG PRO A 64 17.883 15.288 9.029 1.00 0.00 C ATOM 939 CD PRO A 64 17.136 15.860 7.822 1.00 0.00 C ATOM 0 HA PRO A 64 19.286 13.908 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.435 13.758 9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.913 15.245 8.237 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.257 14.604 9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.204 16.074 9.712 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.058 15.828 7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.403 16.904 7.658 1.00 0.00 H new ATOM 947 N ILE A 65 18.640 11.588 7.043 1.00 0.00 N ATOM 948 CA ILE A 65 18.173 10.210 7.248 1.00 0.00 C ATOM 949 C ILE A 65 17.677 9.983 8.682 1.00 0.00 C ATOM 950 O ILE A 65 16.747 9.211 8.916 1.00 0.00 O ATOM 951 CB ILE A 65 19.290 9.224 6.849 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.740 7.787 6.809 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.538 9.305 7.755 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.563 6.900 5.877 1.00 0.00 C ATOM 0 H ILE A 65 19.607 11.651 6.723 1.00 0.00 H new ATOM 0 HA ILE A 65 17.312 10.029 6.605 1.00 0.00 H new ATOM 0 HB ILE A 65 19.622 9.518 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.746 7.365 7.814 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.702 7.802 6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.282 8.584 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.958 10.310 7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.256 9.079 8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.147 5.892 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.535 7.309 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.595 6.865 6.226 1.00 0.00 H new ATOM 966 N GLU A 66 18.280 10.706 9.629 1.00 0.00 N ATOM 967 CA GLU A 66 18.040 10.635 11.062 1.00 0.00 C ATOM 968 C GLU A 66 16.564 10.886 11.415 1.00 0.00 C ATOM 969 O GLU A 66 16.103 10.486 12.486 1.00 0.00 O ATOM 970 CB GLU A 66 18.937 11.674 11.768 1.00 0.00 C ATOM 971 CG GLU A 66 20.414 11.670 11.322 1.00 0.00 C ATOM 972 CD GLU A 66 21.289 12.503 12.276 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.387 13.739 12.101 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.901 11.929 13.206 1.00 0.00 O ATOM 0 H GLU A 66 18.992 11.398 9.395 1.00 0.00 H new ATOM 0 HA GLU A 66 18.283 9.628 11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.523 12.667 11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.897 11.496 12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.783 10.645 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.492 12.070 10.311 1.00 0.00 H new ATOM 981 N ASN A 67 15.827 11.559 10.524 1.00 0.00 N ATOM 982 CA ASN A 67 14.439 11.950 10.727 1.00 0.00 C ATOM 983 C ASN A 67 13.442 10.817 10.424 1.00 0.00 C ATOM 984 O ASN A 67 12.256 10.973 10.717 1.00 0.00 O ATOM 985 CB ASN A 67 14.160 13.175 9.849 1.00 0.00 C ATOM 986 CG ASN A 67 12.811 13.836 10.117 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.330 13.910 11.246 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.200 14.381 9.083 1.00 0.00 N ATOM 0 H ASN A 67 16.195 11.852 9.619 1.00 0.00 H new ATOM 0 HA ASN A 67 14.296 12.188 11.781 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.950 13.909 10.006 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.205 12.877 8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.316 14.872 9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.612 14.311 8.152 1.00 0.00 H new ATOM 995 N PHE A 68 13.873 9.674 9.867 1.00 0.00 N ATOM 996 CA PHE A 68 12.995 8.560 9.528 1.00 0.00 C ATOM 997 C PHE A 68 13.513 7.236 10.106 1.00 0.00 C ATOM 998 O PHE A 68 14.556 7.176 10.761 1.00 0.00 O ATOM 999 CB PHE A 68 12.888 8.473 8.001 1.00 0.00 C ATOM 1000 CG PHE A 68 12.131 9.603 7.348 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.734 9.512 7.212 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.821 10.725 6.852 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.017 10.558 6.604 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.103 11.757 6.223 1.00 0.00 C ATOM 1005 CZ PHE A 68 10.703 11.683 6.111 1.00 0.00 C ATOM 0 H PHE A 68 14.853 9.503 9.640 1.00 0.00 H new ATOM 0 HA PHE A 68 12.012 8.736 9.965 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.894 8.441 7.583 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.404 7.532 7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.212 8.639 7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.894 10.793 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.942 10.498 6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.629 12.611 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.155 12.489 5.647 1.00 0.00 H new ATOM 1015 N ASN A 69 12.774 6.166 9.808 1.00 0.00 N ATOM 1016 CA ASN A 69 13.114 4.768 10.037 1.00 0.00 C ATOM 1017 C ASN A 69 12.938 4.029 8.715 1.00 0.00 C ATOM 1018 O ASN A 69 11.977 4.284 7.986 1.00 0.00 O ATOM 1019 CB ASN A 69 12.230 4.126 11.129 1.00 0.00 C ATOM 1020 CG ASN A 69 10.748 4.517 11.143 1.00 0.00 C ATOM 1021 OD1 ASN A 69 10.168 4.703 12.209 1.00 0.00 O ATOM 1022 ND2 ASN A 69 10.090 4.666 10.003 1.00 0.00 N ATOM 0 H ASN A 69 11.858 6.265 9.370 1.00 0.00 H new ATOM 0 HA ASN A 69 14.143 4.702 10.391 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.294 3.043 11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.656 4.377 12.101 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.106 4.934 10.013 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.567 4.513 9.115 1.00 0.00 H new ATOM 1029 N ALA A 70 13.831 3.085 8.437 1.00 0.00 N ATOM 1030 CA ALA A 70 13.841 2.279 7.224 1.00 0.00 C ATOM 1031 C ALA A 70 12.641 1.341 7.152 1.00 0.00 C ATOM 1032 O ALA A 70 12.264 0.937 6.059 1.00 0.00 O ATOM 1033 CB ALA A 70 15.125 1.450 7.173 1.00 0.00 C ATOM 0 H ALA A 70 14.594 2.853 9.073 1.00 0.00 H new ATOM 0 HA ALA A 70 13.789 2.961 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.133 0.847 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.988 2.116 7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.171 0.796 8.044 1.00 0.00 H new ATOM 1039 N ASP A 71 12.033 1.005 8.292 1.00 0.00 N ATOM 1040 CA ASP A 71 10.914 0.066 8.378 1.00 0.00 C ATOM 1041 C ASP A 71 9.698 0.531 7.565 1.00 0.00 C ATOM 1042 O ASP A 71 8.872 -0.287 7.159 1.00 0.00 O ATOM 1043 CB ASP A 71 10.522 -0.117 9.849 1.00 0.00 C ATOM 1044 CG ASP A 71 9.343 -1.093 10.011 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.530 -2.313 9.804 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.237 -0.654 10.398 1.00 0.00 O ATOM 0 H ASP A 71 12.310 1.385 9.197 1.00 0.00 H new ATOM 0 HA ASP A 71 11.240 -0.883 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.380 -0.488 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.255 0.849 10.277 1.00 0.00 H new ATOM 1051 N ASP A 72 9.590 1.839 7.302 1.00 0.00 N ATOM 1052 CA ASP A 72 8.486 2.428 6.565 1.00 0.00 C ATOM 1053 C ASP A 72 8.715 2.306 5.058 1.00 0.00 C ATOM 1054 O ASP A 72 7.787 2.515 4.285 1.00 0.00 O ATOM 1055 CB ASP A 72 8.310 3.894 6.981 1.00 0.00 C ATOM 1056 CG ASP A 72 7.032 4.525 6.405 1.00 0.00 C ATOM 1057 OD1 ASP A 72 5.933 3.947 6.561 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.097 5.656 5.873 1.00 0.00 O ATOM 0 H ASP A 72 10.284 2.522 7.605 1.00 0.00 H new ATOM 0 HA ASP A 72 7.570 1.887 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.283 3.958 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.175 4.468 6.649 1.00 0.00 H new ATOM 1063 N TYR A 73 9.928 1.942 4.628 1.00 0.00 N ATOM 1064 CA TYR A 73 10.373 1.958 3.257 1.00 0.00 C ATOM 1065 C TYR A 73 10.564 0.524 2.770 1.00 0.00 C ATOM 1066 O TYR A 73 11.248 -0.278 3.406 1.00 0.00 O ATOM 1067 CB TYR A 73 11.638 2.820 3.147 1.00 0.00 C ATOM 1068 CG TYR A 73 11.371 4.281 3.471 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.843 5.124 2.479 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.594 4.788 4.768 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.524 6.456 2.780 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.294 6.128 5.084 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.738 6.964 4.082 1.00 0.00 C ATOM 1074 OH TYR A 73 10.426 8.265 4.330 1.00 0.00 O ATOM 0 H TYR A 73 10.651 1.615 5.269 1.00 0.00 H new ATOM 0 HA TYR A 73 9.627 2.411 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.399 2.433 3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.041 2.742 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.682 4.745 1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.001 4.140 5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.113 7.097 2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.485 6.513 6.075 1.00 0.00 H new ATOM 0 HH TYR A 73 10.579 8.463 5.278 1.00 0.00 H new ATOM 1084 N ASP A 74 9.934 0.189 1.642 1.00 0.00 N ATOM 1085 CA ASP A 74 10.110 -1.109 1.004 1.00 0.00 C ATOM 1086 C ASP A 74 11.490 -1.185 0.355 1.00 0.00 C ATOM 1087 O ASP A 74 12.190 -2.189 0.491 1.00 0.00 O ATOM 1088 CB ASP A 74 9.042 -1.333 -0.069 1.00 0.00 C ATOM 1089 CG ASP A 74 9.262 -2.684 -0.770 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.722 -3.700 -0.276 1.00 0.00 O ATOM 1091 OD2 ASP A 74 9.884 -2.708 -1.853 1.00 0.00 O ATOM 0 H ASP A 74 9.291 0.810 1.150 1.00 0.00 H new ATOM 0 HA ASP A 74 10.015 -1.880 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.051 -1.308 0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.078 -0.526 -0.801 1.00 0.00 H new ATOM 1096 N VAL A 75 11.899 -0.096 -0.303 1.00 0.00 N ATOM 1097 CA VAL A 75 13.081 -0.081 -1.149 1.00 0.00 C ATOM 1098 C VAL A 75 13.990 1.067 -0.755 1.00 0.00 C ATOM 1099 O VAL A 75 13.536 2.194 -0.553 1.00 0.00 O ATOM 1100 CB VAL A 75 12.665 -0.109 -2.634 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.488 0.764 -3.068 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.852 0.113 -3.583 1.00 0.00 C ATOM 0 H VAL A 75 11.413 0.800 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 75 13.678 -0.981 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 75 12.287 -1.128 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.316 0.638 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.594 0.468 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.714 1.810 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.503 0.084 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.303 1.084 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.593 -0.671 -3.428 1.00 0.00 H new ATOM 1112 N VAL A 76 15.281 0.768 -0.642 1.00 0.00 N ATOM 1113 CA VAL A 76 16.275 1.679 -0.120 1.00 0.00 C ATOM 1114 C VAL A 76 17.433 1.781 -1.114 1.00 0.00 C ATOM 1115 O VAL A 76 18.219 0.856 -1.337 1.00 0.00 O ATOM 1116 CB VAL A 76 16.671 1.249 1.303 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.612 1.735 2.300 1.00 0.00 C ATOM 1118 CG2 VAL A 76 16.837 -0.264 1.494 1.00 0.00 C ATOM 0 H VAL A 76 15.666 -0.135 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 76 15.883 2.691 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 76 17.647 1.702 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.894 1.430 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.543 2.822 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.646 1.299 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.116 -0.472 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.897 -0.765 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.616 -0.632 0.826 1.00 0.00 H new ATOM 1128 N ILE A 77 17.494 2.936 -1.761 1.00 0.00 N ATOM 1129 CA ILE A 77 18.445 3.230 -2.805 1.00 0.00 C ATOM 1130 C ILE A 77 19.502 4.131 -2.212 1.00 0.00 C ATOM 1131 O ILE A 77 19.300 5.326 -2.000 1.00 0.00 O ATOM 1132 CB ILE A 77 17.740 3.857 -4.020 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.690 2.915 -4.640 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.769 4.278 -5.076 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.209 1.519 -5.011 1.00 0.00 C ATOM 0 H ILE A 77 16.862 3.712 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 77 18.919 2.321 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 77 17.209 4.739 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.864 2.804 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.286 3.386 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.255 4.720 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.453 5.010 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.332 3.404 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.397 0.931 -5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.014 1.612 -5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.585 1.021 -4.117 1.00 0.00 H new ATOM 1147 N SER A 78 20.624 3.528 -1.873 1.00 0.00 N ATOM 1148 CA SER A 78 21.796 4.294 -1.542 1.00 0.00 C ATOM 1149 C SER A 78 22.324 4.834 -2.872 1.00 0.00 C ATOM 1150 O SER A 78 22.055 4.308 -3.958 1.00 0.00 O ATOM 1151 CB SER A 78 22.796 3.366 -0.882 1.00 0.00 C ATOM 1152 OG SER A 78 23.971 4.009 -0.442 1.00 0.00 O ATOM 0 H SER A 78 20.743 2.516 -1.821 1.00 0.00 H new ATOM 0 HA SER A 78 21.598 5.115 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.319 2.881 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.066 2.580 -1.587 1.00 0.00 H new ATOM 0 HG SER A 78 24.709 3.794 -1.050 1.00 0.00 H new ATOM 1158 N LEU A 79 23.081 5.911 -2.790 1.00 0.00 N ATOM 1159 CA LEU A 79 23.767 6.539 -3.893 1.00 0.00 C ATOM 1160 C LEU A 79 24.936 7.276 -3.247 1.00 0.00 C ATOM 1161 O LEU A 79 25.082 8.480 -3.406 1.00 0.00 O ATOM 1162 CB LEU A 79 22.817 7.394 -4.793 1.00 0.00 C ATOM 1163 CG LEU A 79 21.319 7.585 -4.411 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.117 8.850 -3.596 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.441 7.657 -5.665 1.00 0.00 C ATOM 0 H LEU A 79 23.240 6.393 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 79 24.146 5.827 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.257 8.388 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.840 6.956 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 79 21.028 6.723 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.062 8.956 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.704 8.790 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.440 9.713 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.399 7.790 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.756 8.499 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.543 6.733 -6.234 1.00 0.00 H new ATOM 1177 N CYS A 80 25.733 6.595 -2.416 1.00 0.00 N ATOM 1178 CA CYS A 80 26.744 7.247 -1.584 1.00 0.00 C ATOM 1179 C CYS A 80 27.706 8.078 -2.442 1.00 0.00 C ATOM 1180 O CYS A 80 27.843 9.280 -2.217 1.00 0.00 O ATOM 1181 CB CYS A 80 27.459 6.207 -0.706 1.00 0.00 C ATOM 1182 SG CYS A 80 28.272 4.936 -1.710 1.00 0.00 S ATOM 0 H CYS A 80 25.694 5.582 -2.303 1.00 0.00 H new ATOM 0 HA CYS A 80 26.258 7.951 -0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 80 28.199 6.705 -0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 80 26.738 5.737 -0.037 1.00 0.00 H new ATOM 0 HG CYS A 80 27.767 3.772 -1.428 1.00 0.00 H new ATOM 1188 N GLY A 81 28.289 7.464 -3.474 1.00 0.00 N ATOM 1189 CA GLY A 81 29.243 8.080 -4.393 1.00 0.00 C ATOM 1190 C GLY A 81 30.423 7.159 -4.703 1.00 0.00 C ATOM 1191 O GLY A 81 30.982 7.247 -5.795 1.00 0.00 O ATOM 0 H GLY A 81 28.101 6.487 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.734 8.341 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.613 9.009 -3.960 1.00 0.00 H new ATOM 1195 N CYS A 82 30.778 6.253 -3.778 1.00 0.00 N ATOM 1196 CA CYS A 82 32.013 5.457 -3.846 1.00 0.00 C ATOM 1197 C CYS A 82 31.788 3.956 -3.606 1.00 0.00 C ATOM 1198 O CYS A 82 32.686 3.249 -3.149 1.00 0.00 O ATOM 1199 CB CYS A 82 33.067 6.039 -2.882 1.00 0.00 C ATOM 1200 SG CYS A 82 33.349 7.817 -3.159 1.00 0.00 S ATOM 0 H CYS A 82 30.211 6.051 -2.955 1.00 0.00 H new ATOM 0 HA CYS A 82 32.387 5.529 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.742 5.881 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 82 34.007 5.501 -3.006 1.00 0.00 H new ATOM 0 HG CYS A 82 34.242 8.251 -2.320 1.00 0.00 H new ATOM 1206 N GLY A 83 30.585 3.466 -3.911 1.00 0.00 N ATOM 1207 CA GLY A 83 30.223 2.048 -3.818 1.00 0.00 C ATOM 1208 C GLY A 83 30.155 1.502 -2.387 1.00 0.00 C ATOM 1209 O GLY A 83 30.188 0.286 -2.182 1.00 0.00 O ATOM 0 H GLY A 83 29.818 4.055 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.254 1.901 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 83 30.949 1.463 -4.383 1.00 0.00 H new ATOM 1213 N VAL A 84 30.092 2.395 -1.403 1.00 0.00 N ATOM 1214 CA VAL A 84 29.807 2.110 -0.005 1.00 0.00 C ATOM 1215 C VAL A 84 28.337 1.672 0.107 1.00 0.00 C ATOM 1216 O VAL A 84 27.573 1.690 -0.863 1.00 0.00 O ATOM 1217 CB VAL A 84 30.164 3.334 0.880 1.00 0.00 C ATOM 1218 CG1 VAL A 84 30.513 2.932 2.324 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.355 4.165 0.356 1.00 0.00 C ATOM 0 H VAL A 84 30.247 3.389 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 84 30.426 1.293 0.366 1.00 0.00 H new ATOM 0 HB VAL A 84 29.257 3.938 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 84 30.755 3.824 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 84 29.660 2.427 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 84 31.371 2.260 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.540 5.001 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 84 32.244 3.536 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 84 31.123 4.546 -0.639 1.00 0.00 H new ATOM 1229 N ASN A 85 27.930 1.281 1.309 1.00 0.00 N ATOM 1230 CA ASN A 85 26.545 1.034 1.659 1.00 0.00 C ATOM 1231 C ASN A 85 26.288 1.621 3.033 1.00 0.00 C ATOM 1232 O ASN A 85 27.205 1.830 3.826 1.00 0.00 O ATOM 1233 CB ASN A 85 26.193 -0.462 1.565 1.00 0.00 C ATOM 1234 CG ASN A 85 26.923 -1.305 2.600 1.00 0.00 C ATOM 1235 OD1 ASN A 85 27.860 -2.033 2.286 1.00 0.00 O ATOM 1236 ND2 ASN A 85 26.525 -1.210 3.854 1.00 0.00 N ATOM 0 H ASN A 85 28.574 1.124 2.084 1.00 0.00 H new ATOM 0 HA ASN A 85 25.885 1.525 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 85 25.118 -0.587 1.694 1.00 0.00 H new ATOM 0 HB3 ASN A 85 26.438 -0.826 0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 85 26.998 -1.747 4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 85 25.744 -0.600 4.096 1.00 0.00 H new ATOM 1243 N LEU A 86 25.010 1.874 3.287 1.00 0.00 N ATOM 1244 CA LEU A 86 24.480 2.426 4.524 1.00 0.00 C ATOM 1245 C LEU A 86 24.795 1.430 5.644 1.00 0.00 C ATOM 1246 O LEU A 86 24.417 0.267 5.509 1.00 0.00 O ATOM 1247 CB LEU A 86 22.967 2.670 4.334 1.00 0.00 C ATOM 1248 CG LEU A 86 22.605 3.462 3.053 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.103 3.727 2.982 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.371 4.780 2.906 1.00 0.00 C ATOM 0 H LEU A 86 24.279 1.690 2.600 1.00 0.00 H new ATOM 0 HA LEU A 86 24.930 3.383 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.456 1.708 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.586 3.210 5.201 1.00 0.00 H new ATOM 0 HG LEU A 86 22.909 2.827 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.874 4.284 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.566 2.778 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.794 4.308 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.065 5.278 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 86 23.153 5.424 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.441 4.577 2.869 1.00 0.00 H new ATOM 1262 N PRO A 87 25.528 1.819 6.703 1.00 0.00 N ATOM 1263 CA PRO A 87 25.666 0.992 7.893 1.00 0.00 C ATOM 1264 C PRO A 87 24.321 0.611 8.554 1.00 0.00 C ATOM 1265 O PRO A 87 24.215 -0.535 9.002 1.00 0.00 O ATOM 1266 CB PRO A 87 26.558 1.783 8.859 1.00 0.00 C ATOM 1267 CG PRO A 87 27.324 2.743 7.950 1.00 0.00 C ATOM 1268 CD PRO A 87 26.329 3.031 6.828 1.00 0.00 C ATOM 0 HA PRO A 87 26.105 0.033 7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.966 2.321 9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 87 27.234 1.127 9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.611 3.653 8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 87 28.240 2.292 7.569 1.00 0.00 H new ATOM 0 HD2 PRO A 87 25.705 3.892 7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.844 3.260 5.895 1.00 0.00 H new ATOM 1276 N PRO A 88 23.313 1.510 8.678 1.00 0.00 N ATOM 1277 CA PRO A 88 22.102 1.209 9.449 1.00 0.00 C ATOM 1278 C PRO A 88 21.112 0.294 8.701 1.00 0.00 C ATOM 1279 O PRO A 88 21.346 -0.121 7.568 1.00 0.00 O ATOM 1280 CB PRO A 88 21.507 2.583 9.792 1.00 0.00 C ATOM 1281 CG PRO A 88 21.934 3.458 8.618 1.00 0.00 C ATOM 1282 CD PRO A 88 23.318 2.931 8.310 1.00 0.00 C ATOM 0 HA PRO A 88 22.334 0.633 10.345 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.422 2.539 9.886 1.00 0.00 H new ATOM 0 HB3 PRO A 88 21.893 2.963 10.738 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.261 3.354 7.767 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.951 4.515 8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.555 3.058 7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.075 3.475 8.874 1.00 0.00 H new ATOM 1290 N GLU A 89 19.960 0.037 9.336 1.00 0.00 N ATOM 1291 CA GLU A 89 18.807 -0.771 8.896 1.00 0.00 C ATOM 1292 C GLU A 89 18.305 -0.492 7.471 1.00 0.00 C ATOM 1293 O GLU A 89 17.593 -1.292 6.863 1.00 0.00 O ATOM 1294 CB GLU A 89 17.654 -0.556 9.893 1.00 0.00 C ATOM 1295 CG GLU A 89 17.330 0.925 10.181 1.00 0.00 C ATOM 1296 CD GLU A 89 16.058 1.115 11.028 1.00 0.00 C ATOM 1297 OE1 GLU A 89 15.957 0.527 12.131 1.00 0.00 O ATOM 1298 OE2 GLU A 89 15.170 1.891 10.610 1.00 0.00 O ATOM 0 H GLU A 89 19.793 0.427 10.263 1.00 0.00 H new ATOM 0 HA GLU A 89 19.156 -1.803 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.759 -1.043 9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.904 -1.050 10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.174 1.381 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.212 1.455 9.236 1.00 0.00 H new ATOM 1305 N TRP A 90 18.696 0.644 6.919 1.00 0.00 N ATOM 1306 CA TRP A 90 18.503 1.049 5.540 1.00 0.00 C ATOM 1307 C TRP A 90 19.288 0.182 4.539 1.00 0.00 C ATOM 1308 O TRP A 90 19.324 0.511 3.357 1.00 0.00 O ATOM 1309 CB TRP A 90 18.880 2.525 5.416 1.00 0.00 C ATOM 1310 CG TRP A 90 18.171 3.456 6.350 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.524 3.732 7.623 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.965 4.238 6.116 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.711 4.701 8.149 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.692 5.024 7.277 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.064 4.336 5.040 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.596 5.894 7.346 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.933 5.162 5.119 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.706 5.945 6.261 1.00 0.00 C ATOM 0 H TRP A 90 19.190 1.354 7.460 1.00 0.00 H new ATOM 0 HA TRP A 90 17.454 0.904 5.281 1.00 0.00 H new ATOM 0 HB2 TRP A 90 19.953 2.622 5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.684 2.847 4.393 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.335 3.255 8.153 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.842 5.128 9.066 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.246 3.767 4.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.439 6.513 8.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.234 5.195 4.297 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.842 6.591 6.306 1.00 0.00 H new ATOM 1329 N VAL A 91 19.905 -0.916 4.981 1.00 0.00 N ATOM 1330 CA VAL A 91 20.534 -1.919 4.130 1.00 0.00 C ATOM 1331 C VAL A 91 19.863 -3.297 4.290 1.00 0.00 C ATOM 1332 O VAL A 91 20.283 -4.259 3.647 1.00 0.00 O ATOM 1333 CB VAL A 91 22.064 -1.879 4.357 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.520 -2.623 5.621 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.865 -2.392 3.152 1.00 0.00 C ATOM 0 H VAL A 91 19.981 -1.135 5.974 1.00 0.00 H new ATOM 0 HA VAL A 91 20.380 -1.691 3.075 1.00 0.00 H new ATOM 0 HB VAL A 91 22.278 -0.819 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.604 -2.552 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.050 -2.175 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.230 -3.671 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.931 -2.338 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.589 -3.426 2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.645 -1.776 2.280 1.00 0.00 H new ATOM 1345 N THR A 92 18.800 -3.411 5.101 1.00 0.00 N ATOM 1346 CA THR A 92 18.173 -4.684 5.458 1.00 0.00 C ATOM 1347 C THR A 92 16.653 -4.668 5.221 1.00 0.00 C ATOM 1348 O THR A 92 15.903 -5.403 5.869 1.00 0.00 O ATOM 1349 CB THR A 92 18.594 -5.077 6.894 1.00 0.00 C ATOM 1350 OG1 THR A 92 18.380 -4.021 7.813 1.00 0.00 O ATOM 1351 CG2 THR A 92 20.085 -5.420 6.980 1.00 0.00 C ATOM 0 H THR A 92 18.348 -2.605 5.532 1.00 0.00 H new ATOM 0 HA THR A 92 18.533 -5.469 4.793 1.00 0.00 H new ATOM 0 HB THR A 92 17.980 -5.943 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.981 -3.257 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 92 20.338 -5.690 8.005 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.304 -6.259 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.675 -4.555 6.677 1.00 0.00 H new ATOM 1359 N GLN A 93 16.193 -3.831 4.285 1.00 0.00 N ATOM 1360 CA GLN A 93 14.809 -3.835 3.805 1.00 0.00 C ATOM 1361 C GLN A 93 14.696 -4.741 2.566 1.00 0.00 C ATOM 1362 O GLN A 93 15.644 -5.450 2.218 1.00 0.00 O ATOM 1363 CB GLN A 93 14.307 -2.402 3.549 1.00 0.00 C ATOM 1364 CG GLN A 93 14.538 -1.433 4.720 1.00 0.00 C ATOM 1365 CD GLN A 93 13.998 -1.970 6.051 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.844 -2.374 6.170 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.833 -2.029 7.077 1.00 0.00 N ATOM 0 H GLN A 93 16.777 -3.126 3.836 1.00 0.00 H new ATOM 0 HA GLN A 93 14.157 -4.247 4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.805 -2.008 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.241 -2.437 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.606 -1.238 4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.059 -0.480 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.791 -1.693 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.519 -2.411 7.969 1.00 0.00 H new ATOM 1376 N GLU A 94 13.530 -4.749 1.914 1.00 0.00 N ATOM 1377 CA GLU A 94 13.204 -5.710 0.864 1.00 0.00 C ATOM 1378 C GLU A 94 14.070 -5.563 -0.386 1.00 0.00 C ATOM 1379 O GLU A 94 14.385 -6.572 -1.021 1.00 0.00 O ATOM 1380 CB GLU A 94 11.714 -5.631 0.496 1.00 0.00 C ATOM 1381 CG GLU A 94 10.763 -5.884 1.678 1.00 0.00 C ATOM 1382 CD GLU A 94 10.974 -7.265 2.328 1.00 0.00 C ATOM 1383 OE1 GLU A 94 10.602 -8.294 1.720 1.00 0.00 O ATOM 1384 OE2 GLU A 94 11.492 -7.336 3.465 1.00 0.00 O ATOM 0 H GLU A 94 12.782 -4.082 2.104 1.00 0.00 H new ATOM 0 HA GLU A 94 13.423 -6.694 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.505 -4.646 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.505 -6.359 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.909 -5.108 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.732 -5.803 1.333 1.00 0.00 H new ATOM 1391 N ILE A 95 14.480 -4.341 -0.732 1.00 0.00 N ATOM 1392 CA ILE A 95 15.274 -4.062 -1.924 1.00 0.00 C ATOM 1393 C ILE A 95 16.343 -3.066 -1.487 1.00 0.00 C ATOM 1394 O ILE A 95 15.999 -2.063 -0.862 1.00 0.00 O ATOM 1395 CB ILE A 95 14.364 -3.502 -3.030 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.305 -4.561 -3.415 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.201 -3.065 -4.255 1.00 0.00 C ATOM 1398 CD1 ILE A 95 12.535 -4.251 -4.694 1.00 0.00 C ATOM 0 H ILE A 95 14.266 -3.508 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 95 15.744 -4.954 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 95 13.847 -2.617 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 95 13.799 -5.526 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.595 -4.661 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.539 -2.672 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.908 -2.292 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.746 -3.923 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.815 -5.046 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.008 -3.304 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.231 -4.182 -5.530 1.00 0.00 H new ATOM 1410 N PHE A 96 17.607 -3.300 -1.849 1.00 0.00 N ATOM 1411 CA PHE A 96 18.699 -2.377 -1.619 1.00 0.00 C ATOM 1412 C PHE A 96 19.577 -2.356 -2.862 1.00 0.00 C ATOM 1413 O PHE A 96 19.848 -3.406 -3.451 1.00 0.00 O ATOM 1414 CB PHE A 96 19.543 -2.773 -0.392 1.00 0.00 C ATOM 1415 CG PHE A 96 20.766 -1.881 -0.226 1.00 0.00 C ATOM 1416 CD1 PHE A 96 20.658 -0.665 0.472 1.00 0.00 C ATOM 1417 CD2 PHE A 96 21.970 -2.188 -0.895 1.00 0.00 C ATOM 1418 CE1 PHE A 96 21.733 0.237 0.500 1.00 0.00 C ATOM 1419 CE2 PHE A 96 23.032 -1.264 -0.907 1.00 0.00 C ATOM 1420 CZ PHE A 96 22.919 -0.056 -0.198 1.00 0.00 C ATOM 0 H PHE A 96 17.896 -4.157 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 96 18.283 -1.390 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.927 -2.714 0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 96 19.862 -3.810 -0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.742 -0.424 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 96 22.077 -3.136 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.650 1.158 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 96 23.933 -1.483 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.740 0.645 -0.189 1.00 0.00 H new ATOM 1430 N GLU A 97 20.050 -1.168 -3.221 1.00 0.00 N ATOM 1431 CA GLU A 97 21.080 -0.942 -4.221 1.00 0.00 C ATOM 1432 C GLU A 97 21.871 0.290 -3.789 1.00 0.00 C ATOM 1433 O GLU A 97 21.360 1.126 -3.046 1.00 0.00 O ATOM 1434 CB GLU A 97 20.477 -0.659 -5.607 1.00 0.00 C ATOM 1435 CG GLU A 97 20.043 -1.921 -6.352 1.00 0.00 C ATOM 1436 CD GLU A 97 19.633 -1.624 -7.807 1.00 0.00 C ATOM 1437 OE1 GLU A 97 18.980 -0.588 -8.069 1.00 0.00 O ATOM 1438 OE2 GLU A 97 19.958 -2.440 -8.701 1.00 0.00 O ATOM 0 H GLU A 97 19.710 -0.301 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 97 21.702 -1.834 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.616 -0.000 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.210 -0.124 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.859 -2.643 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.206 -2.381 -5.827 1.00 0.00 H new ATOM 1445 N ASP A 98 23.091 0.417 -4.305 1.00 0.00 N ATOM 1446 CA ASP A 98 23.913 1.620 -4.210 1.00 0.00 C ATOM 1447 C ASP A 98 24.266 2.091 -5.618 1.00 0.00 C ATOM 1448 O ASP A 98 24.983 1.404 -6.350 1.00 0.00 O ATOM 1449 CB ASP A 98 25.174 1.479 -3.354 1.00 0.00 C ATOM 1450 CG ASP A 98 25.885 2.844 -3.324 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.447 3.731 -2.552 1.00 0.00 O ATOM 1452 OD2 ASP A 98 26.834 3.053 -4.111 1.00 0.00 O ATOM 0 H ASP A 98 23.549 -0.338 -4.816 1.00 0.00 H new ATOM 0 HA ASP A 98 23.311 2.363 -3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 98 24.915 1.162 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.832 0.716 -3.769 1.00 0.00 H new ATOM 1457 N TRP A 99 23.703 3.227 -6.028 1.00 0.00 N ATOM 1458 CA TRP A 99 23.903 3.812 -7.345 1.00 0.00 C ATOM 1459 C TRP A 99 25.148 4.703 -7.296 1.00 0.00 C ATOM 1460 O TRP A 99 25.058 5.911 -7.059 1.00 0.00 O ATOM 1461 CB TRP A 99 22.631 4.543 -7.811 1.00 0.00 C ATOM 1462 CG TRP A 99 21.344 3.758 -7.899 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.146 2.431 -7.702 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.022 4.294 -8.204 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.815 2.115 -7.905 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.060 3.237 -8.169 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.556 5.590 -8.506 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.689 3.464 -8.399 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.191 5.832 -8.727 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.270 4.775 -8.674 1.00 0.00 C ATOM 0 H TRP A 99 23.080 3.776 -5.436 1.00 0.00 H new ATOM 0 HA TRP A 99 24.081 3.040 -8.093 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.463 5.381 -7.135 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.832 4.963 -8.796 1.00 0.00 H new ATOM 0 HD1 TRP A 99 21.915 1.724 -7.427 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.439 1.168 -7.864 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.259 6.408 -8.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.979 2.651 -8.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.849 6.834 -8.938 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.223 4.973 -8.847 1.00 0.00 H new ATOM 1481 N GLN A 100 26.323 4.093 -7.480 1.00 0.00 N ATOM 1482 CA GLN A 100 27.582 4.807 -7.672 1.00 0.00 C ATOM 1483 C GLN A 100 27.417 5.737 -8.882 1.00 0.00 C ATOM 1484 O GLN A 100 27.108 5.269 -9.981 1.00 0.00 O ATOM 1485 CB GLN A 100 28.718 3.788 -7.862 1.00 0.00 C ATOM 1486 CG GLN A 100 30.100 4.457 -7.907 1.00 0.00 C ATOM 1487 CD GLN A 100 31.219 3.439 -8.123 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.838 3.380 -9.183 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.504 2.610 -7.129 1.00 0.00 N ATOM 0 H GLN A 100 26.424 3.078 -7.499 1.00 0.00 H new ATOM 0 HA GLN A 100 27.839 5.414 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.694 3.064 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.555 3.234 -8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.120 5.195 -8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.273 4.995 -6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.985 2.667 -6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.243 1.915 -7.240 1.00 0.00 H new ATOM 1498 N LEU A 101 27.597 7.046 -8.676 1.00 0.00 N ATOM 1499 CA LEU A 101 27.274 8.098 -9.638 1.00 0.00 C ATOM 1500 C LEU A 101 28.217 9.278 -9.405 1.00 0.00 C ATOM 1501 O LEU A 101 28.680 9.485 -8.281 1.00 0.00 O ATOM 1502 CB LEU A 101 25.818 8.553 -9.403 1.00 0.00 C ATOM 1503 CG LEU A 101 24.743 7.624 -10.008 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.392 7.916 -9.364 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.642 7.767 -11.527 1.00 0.00 C ATOM 0 H LEU A 101 27.984 7.411 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 101 27.386 7.730 -10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.646 8.633 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.692 9.552 -9.822 1.00 0.00 H new ATOM 0 HG LEU A 101 25.040 6.596 -9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.635 7.259 -9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.456 7.743 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 101 23.118 8.955 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.873 7.094 -11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 101 24.381 8.795 -11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.600 7.515 -11.981 1.00 0.00 H new ATOM 1517 N GLU A 102 28.474 10.063 -10.454 1.00 0.00 N ATOM 1518 CA GLU A 102 29.401 11.188 -10.452 1.00 0.00 C ATOM 1519 C GLU A 102 28.789 12.415 -9.790 1.00 0.00 C ATOM 1520 O GLU A 102 28.379 13.351 -10.470 1.00 0.00 O ATOM 1521 CB GLU A 102 29.944 11.467 -11.867 1.00 0.00 C ATOM 1522 CG GLU A 102 30.855 10.331 -12.354 1.00 0.00 C ATOM 1523 CD GLU A 102 31.483 10.649 -13.722 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.887 10.304 -14.767 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.597 11.220 -13.767 1.00 0.00 O ATOM 0 H GLU A 102 28.024 9.924 -11.359 1.00 0.00 H new ATOM 0 HA GLU A 102 30.263 10.917 -9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.111 11.590 -12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.499 12.405 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.645 10.159 -11.623 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.279 9.408 -12.424 1.00 0.00 H new ATOM 1532 N ASP A 103 28.715 12.360 -8.455 1.00 0.00 N ATOM 1533 CA ASP A 103 28.104 13.339 -7.558 1.00 0.00 C ATOM 1534 C ASP A 103 28.127 14.779 -8.106 1.00 0.00 C ATOM 1535 O ASP A 103 29.193 15.404 -8.124 1.00 0.00 O ATOM 1536 CB ASP A 103 28.691 13.237 -6.157 1.00 0.00 C ATOM 1537 CG ASP A 103 27.953 14.220 -5.241 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.925 13.828 -4.647 1.00 0.00 O ATOM 1539 OD2 ASP A 103 28.385 15.386 -5.146 1.00 0.00 O ATOM 0 H ASP A 103 29.110 11.573 -7.940 1.00 0.00 H new ATOM 0 HA ASP A 103 27.046 13.084 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.590 12.220 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.757 13.466 -6.176 1.00 0.00 H new ATOM 1544 N PRO A 104 26.983 15.277 -8.622 1.00 0.00 N ATOM 1545 CA PRO A 104 26.901 16.532 -9.363 1.00 0.00 C ATOM 1546 C PRO A 104 27.247 17.821 -8.609 1.00 0.00 C ATOM 1547 O PRO A 104 27.205 18.891 -9.212 1.00 0.00 O ATOM 1548 CB PRO A 104 25.495 16.596 -9.948 1.00 0.00 C ATOM 1549 CG PRO A 104 25.144 15.133 -10.120 1.00 0.00 C ATOM 1550 CD PRO A 104 25.814 14.464 -8.933 1.00 0.00 C ATOM 0 HA PRO A 104 27.687 16.504 -10.118 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.800 17.104 -9.279 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.474 17.132 -10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 104 24.065 14.976 -10.113 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.517 14.739 -11.065 1.00 0.00 H new ATOM 0 HD2 PRO A 104 25.137 14.412 -8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 104 26.103 13.441 -9.173 1.00 0.00 H new ATOM 1558 N ASP A 105 27.598 17.767 -7.326 1.00 0.00 N ATOM 1559 CA ASP A 105 27.979 18.955 -6.558 1.00 0.00 C ATOM 1560 C ASP A 105 29.142 19.713 -7.222 1.00 0.00 C ATOM 1561 O ASP A 105 30.303 19.300 -7.167 1.00 0.00 O ATOM 1562 CB ASP A 105 28.318 18.598 -5.111 1.00 0.00 C ATOM 1563 CG ASP A 105 28.623 19.853 -4.275 1.00 0.00 C ATOM 1564 OD1 ASP A 105 29.800 20.270 -4.190 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.688 20.412 -3.662 1.00 0.00 O ATOM 0 H ASP A 105 27.627 16.901 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 105 27.115 19.620 -6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 105 27.484 18.056 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 105 29.179 17.930 -5.093 1.00 0.00 H new ATOM 1570 N GLY A 106 28.802 20.819 -7.883 1.00 0.00 N ATOM 1571 CA GLY A 106 29.719 21.795 -8.456 1.00 0.00 C ATOM 1572 C GLY A 106 30.253 21.384 -9.829 1.00 0.00 C ATOM 1573 O GLY A 106 31.326 21.853 -10.216 1.00 0.00 O ATOM 0 H GLY A 106 27.826 21.069 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.210 22.755 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.558 21.940 -7.775 1.00 0.00 H new ATOM 1577 N GLN A 107 29.556 20.499 -10.551 1.00 0.00 N ATOM 1578 CA GLN A 107 30.090 19.881 -11.764 1.00 0.00 C ATOM 1579 C GLN A 107 29.611 20.581 -13.040 1.00 0.00 C ATOM 1580 O GLN A 107 28.812 21.522 -13.005 1.00 0.00 O ATOM 1581 CB GLN A 107 29.721 18.391 -11.807 1.00 0.00 C ATOM 1582 CG GLN A 107 30.003 17.619 -10.515 1.00 0.00 C ATOM 1583 CD GLN A 107 31.462 17.328 -10.177 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.404 17.887 -10.733 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.661 16.399 -9.257 1.00 0.00 N ATOM 0 H GLN A 107 28.613 20.195 -10.311 1.00 0.00 H new ATOM 0 HA GLN A 107 31.174 19.988 -11.727 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.661 18.301 -12.043 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.270 17.919 -12.622 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.570 18.179 -9.686 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.473 16.668 -10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.864 15.947 -8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.611 16.134 -8.997 1.00 0.00 H new ATOM 1594 N SER A 108 30.111 20.093 -14.175 1.00 0.00 N ATOM 1595 CA SER A 108 29.748 20.531 -15.513 1.00 0.00 C ATOM 1596 C SER A 108 28.360 19.995 -15.876 1.00 0.00 C ATOM 1597 O SER A 108 27.962 18.936 -15.383 1.00 0.00 O ATOM 1598 CB SER A 108 30.798 19.964 -16.475 1.00 0.00 C ATOM 1599 OG SER A 108 32.100 20.403 -16.115 1.00 0.00 O ATOM 0 H SER A 108 30.810 19.350 -14.182 1.00 0.00 H new ATOM 0 HA SER A 108 29.718 21.619 -15.572 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.760 18.875 -16.462 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.572 20.278 -17.494 1.00 0.00 H new ATOM 0 HG SER A 108 32.756 20.029 -16.740 1.00 0.00 H new ATOM 1605 N LEU A 109 27.646 20.665 -16.790 1.00 0.00 N ATOM 1606 CA LEU A 109 26.316 20.225 -17.221 1.00 0.00 C ATOM 1607 C LEU A 109 26.354 18.826 -17.821 1.00 0.00 C ATOM 1608 O LEU A 109 25.380 18.095 -17.694 1.00 0.00 O ATOM 1609 CB LEU A 109 25.692 21.184 -18.249 1.00 0.00 C ATOM 1610 CG LEU A 109 25.308 22.561 -17.680 1.00 0.00 C ATOM 1611 CD1 LEU A 109 24.836 23.472 -18.819 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.201 22.473 -16.619 1.00 0.00 C ATOM 0 H LEU A 109 27.971 21.518 -17.246 1.00 0.00 H new ATOM 0 HA LEU A 109 25.700 20.219 -16.322 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.396 21.326 -19.069 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.802 20.717 -18.670 1.00 0.00 H new ATOM 0 HG LEU A 109 26.197 22.969 -17.199 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.564 24.447 -18.416 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.639 23.591 -19.546 1.00 0.00 H new ATOM 0 HD13 LEU A 109 23.969 23.026 -19.306 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.969 23.473 -16.251 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.307 22.033 -17.061 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.540 21.851 -15.790 1.00 0.00 H new ATOM 1624 N GLU A 110 27.464 18.435 -18.450 1.00 0.00 N ATOM 1625 CA GLU A 110 27.634 17.090 -18.984 1.00 0.00 C ATOM 1626 C GLU A 110 27.595 16.045 -17.860 1.00 0.00 C ATOM 1627 O GLU A 110 26.984 14.989 -18.025 1.00 0.00 O ATOM 1628 CB GLU A 110 28.948 17.039 -19.777 1.00 0.00 C ATOM 1629 CG GLU A 110 29.152 15.698 -20.495 1.00 0.00 C ATOM 1630 CD GLU A 110 30.416 15.715 -21.372 1.00 0.00 C ATOM 1631 OE1 GLU A 110 31.522 15.416 -20.866 1.00 0.00 O ATOM 1632 OE2 GLU A 110 30.318 16.009 -22.586 1.00 0.00 O ATOM 0 H GLU A 110 28.268 19.044 -18.601 1.00 0.00 H new ATOM 0 HA GLU A 110 26.810 16.849 -19.656 1.00 0.00 H new ATOM 0 HB2 GLU A 110 28.957 17.845 -20.511 1.00 0.00 H new ATOM 0 HB3 GLU A 110 29.784 17.215 -19.100 1.00 0.00 H new ATOM 0 HG2 GLU A 110 29.229 14.898 -19.759 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.282 15.479 -21.113 1.00 0.00 H new ATOM 1639 N VAL A 111 28.194 16.337 -16.700 1.00 0.00 N ATOM 1640 CA VAL A 111 28.171 15.436 -15.551 1.00 0.00 C ATOM 1641 C VAL A 111 26.740 15.362 -15.019 1.00 0.00 C ATOM 1642 O VAL A 111 26.223 14.265 -14.804 1.00 0.00 O ATOM 1643 CB VAL A 111 29.167 15.902 -14.472 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.141 14.986 -13.240 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.604 15.942 -15.019 1.00 0.00 C ATOM 0 H VAL A 111 28.706 17.204 -16.535 1.00 0.00 H new ATOM 0 HA VAL A 111 28.485 14.436 -15.851 1.00 0.00 H new ATOM 0 HB VAL A 111 28.856 16.905 -14.181 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.857 15.348 -12.502 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.141 14.988 -12.806 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.407 13.971 -13.536 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.283 16.275 -14.234 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.894 14.946 -15.352 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.654 16.634 -15.859 1.00 0.00 H new ATOM 1655 N PHE A 112 26.078 16.515 -14.872 1.00 0.00 N ATOM 1656 CA PHE A 112 24.680 16.574 -14.465 1.00 0.00 C ATOM 1657 C PHE A 112 23.803 15.738 -15.401 1.00 0.00 C ATOM 1658 O PHE A 112 23.052 14.896 -14.922 1.00 0.00 O ATOM 1659 CB PHE A 112 24.199 18.026 -14.423 1.00 0.00 C ATOM 1660 CG PHE A 112 24.426 18.723 -13.108 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.460 18.622 -12.086 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.602 19.463 -12.900 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.695 19.225 -10.841 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.836 20.060 -11.656 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.900 19.910 -10.623 1.00 0.00 C ATOM 0 H PHE A 112 26.500 17.429 -15.033 1.00 0.00 H new ATOM 0 HA PHE A 112 24.596 16.153 -13.463 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.706 18.586 -15.209 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.134 18.049 -14.652 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.541 18.082 -12.261 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.323 19.571 -13.697 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.955 19.162 -10.057 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.735 20.635 -11.492 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.109 20.326 -9.649 1.00 0.00 H new ATOM 1675 N ARG A 113 23.913 15.920 -16.721 1.00 0.00 N ATOM 1676 CA ARG A 113 23.165 15.151 -17.718 1.00 0.00 C ATOM 1677 C ARG A 113 23.463 13.662 -17.621 1.00 0.00 C ATOM 1678 O ARG A 113 22.523 12.869 -17.680 1.00 0.00 O ATOM 1679 CB ARG A 113 23.459 15.695 -19.131 1.00 0.00 C ATOM 1680 CG ARG A 113 22.545 16.891 -19.437 1.00 0.00 C ATOM 1681 CD ARG A 113 23.167 17.948 -20.345 1.00 0.00 C ATOM 1682 NE ARG A 113 22.197 19.006 -20.674 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.463 20.105 -21.389 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.685 20.327 -21.872 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.499 20.985 -21.616 1.00 0.00 N ATOM 0 H ARG A 113 24.534 16.617 -17.132 1.00 0.00 H new ATOM 0 HA ARG A 113 22.101 15.271 -17.514 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.504 15.998 -19.202 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.304 14.910 -19.871 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.631 16.523 -19.902 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.257 17.362 -18.497 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.035 18.387 -19.854 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.523 17.479 -21.262 1.00 0.00 H new ATOM 0 HE ARG A 113 21.244 18.892 -20.328 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.432 19.655 -21.698 1.00 0.00 H new ATOM 0 HH12 ARG A 113 23.873 21.169 -22.416 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.562 20.822 -21.247 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.694 21.826 -22.160 1.00 0.00 H new ATOM 1699 N THR A 114 24.723 13.267 -17.441 1.00 0.00 N ATOM 1700 CA THR A 114 25.096 11.874 -17.314 1.00 0.00 C ATOM 1701 C THR A 114 24.394 11.269 -16.092 1.00 0.00 C ATOM 1702 O THR A 114 23.727 10.239 -16.207 1.00 0.00 O ATOM 1703 CB THR A 114 26.630 11.810 -17.234 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.209 12.350 -18.407 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.122 10.379 -17.080 1.00 0.00 C ATOM 0 H THR A 114 25.510 13.913 -17.380 1.00 0.00 H new ATOM 0 HA THR A 114 24.778 11.281 -18.172 1.00 0.00 H new ATOM 0 HB THR A 114 26.927 12.390 -16.360 1.00 0.00 H new ATOM 0 HG1 THR A 114 26.980 13.300 -18.477 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.211 10.372 -17.027 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.711 9.949 -16.166 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.797 9.788 -17.937 1.00 0.00 H new ATOM 1713 N VAL A 115 24.493 11.925 -14.933 1.00 0.00 N ATOM 1714 CA VAL A 115 23.882 11.434 -13.711 1.00 0.00 C ATOM 1715 C VAL A 115 22.363 11.456 -13.833 1.00 0.00 C ATOM 1716 O VAL A 115 21.751 10.445 -13.503 1.00 0.00 O ATOM 1717 CB VAL A 115 24.424 12.203 -12.499 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.670 11.909 -11.193 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.905 11.858 -12.292 1.00 0.00 C ATOM 0 H VAL A 115 24.997 12.805 -14.823 1.00 0.00 H new ATOM 0 HA VAL A 115 24.154 10.391 -13.550 1.00 0.00 H new ATOM 0 HB VAL A 115 24.285 13.260 -12.724 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.109 12.488 -10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.621 12.184 -11.309 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.743 10.846 -10.962 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.289 12.405 -11.431 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.008 10.787 -12.117 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.471 12.137 -13.181 1.00 0.00 H new ATOM 1729 N ARG A 116 21.746 12.525 -14.357 1.00 0.00 N ATOM 1730 CA ARG A 116 20.301 12.579 -14.571 1.00 0.00 C ATOM 1731 C ARG A 116 19.875 11.364 -15.377 1.00 0.00 C ATOM 1732 O ARG A 116 18.898 10.724 -15.006 1.00 0.00 O ATOM 1733 CB ARG A 116 19.857 13.894 -15.259 1.00 0.00 C ATOM 1734 CG ARG A 116 18.430 13.749 -15.831 1.00 0.00 C ATOM 1735 CD ARG A 116 17.715 15.027 -16.272 1.00 0.00 C ATOM 1736 NE ARG A 116 18.365 15.708 -17.412 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.208 15.399 -18.708 1.00 0.00 C ATOM 1738 NH1 ARG A 116 17.508 14.326 -19.073 1.00 0.00 N ATOM 1739 NH2 ARG A 116 18.751 16.163 -19.647 1.00 0.00 N ATOM 0 H ARG A 116 22.237 13.372 -14.642 1.00 0.00 H new ATOM 0 HA ARG A 116 19.807 12.565 -13.600 1.00 0.00 H new ATOM 0 HB2 ARG A 116 19.886 14.714 -14.542 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.552 14.145 -16.060 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.477 13.077 -16.688 1.00 0.00 H new ATOM 0 HG3 ARG A 116 17.813 13.261 -15.077 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.688 14.783 -16.543 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.667 15.715 -15.428 1.00 0.00 H new ATOM 0 HE ARG A 116 18.990 16.484 -17.193 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.084 13.728 -18.364 1.00 0.00 H new ATOM 0 HH12 ARG A 116 17.396 14.102 -20.062 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.290 16.988 -19.384 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.630 15.925 -20.631 1.00 0.00 H new ATOM 1753 N GLY A 117 20.580 11.056 -16.463 1.00 0.00 N ATOM 1754 CA GLY A 117 20.173 9.977 -17.340 1.00 0.00 C ATOM 1755 C GLY A 117 20.229 8.646 -16.611 1.00 0.00 C ATOM 1756 O GLY A 117 19.236 7.920 -16.638 1.00 0.00 O ATOM 0 H GLY A 117 21.431 11.540 -16.750 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.161 10.157 -17.702 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.823 9.947 -18.214 1.00 0.00 H new ATOM 1760 N GLN A 118 21.331 8.353 -15.908 1.00 0.00 N ATOM 1761 CA GLN A 118 21.456 7.120 -15.149 1.00 0.00 C ATOM 1762 C GLN A 118 20.381 7.050 -14.069 1.00 0.00 C ATOM 1763 O GLN A 118 19.602 6.107 -14.038 1.00 0.00 O ATOM 1764 CB GLN A 118 22.845 6.995 -14.512 1.00 0.00 C ATOM 1765 CG GLN A 118 23.976 6.731 -15.516 1.00 0.00 C ATOM 1766 CD GLN A 118 25.189 6.081 -14.844 1.00 0.00 C ATOM 1767 OE1 GLN A 118 25.062 5.088 -14.128 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.385 6.610 -15.048 1.00 0.00 N ATOM 0 H GLN A 118 22.148 8.962 -15.855 1.00 0.00 H new ATOM 0 HA GLN A 118 21.323 6.289 -15.842 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.066 7.912 -13.966 1.00 0.00 H new ATOM 0 HB3 GLN A 118 22.826 6.186 -13.782 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.611 6.083 -16.313 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.277 7.670 -15.981 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.484 7.433 -15.642 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.208 6.195 -14.611 1.00 0.00 H new ATOM 1777 N VAL A 119 20.328 8.048 -13.194 1.00 0.00 N ATOM 1778 CA VAL A 119 19.352 8.169 -12.117 1.00 0.00 C ATOM 1779 C VAL A 119 17.935 7.975 -12.658 1.00 0.00 C ATOM 1780 O VAL A 119 17.206 7.164 -12.092 1.00 0.00 O ATOM 1781 CB VAL A 119 19.516 9.521 -11.385 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.432 9.757 -10.327 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.846 9.594 -10.627 1.00 0.00 C ATOM 0 H VAL A 119 20.989 8.825 -13.216 1.00 0.00 H new ATOM 0 HA VAL A 119 19.531 7.382 -11.384 1.00 0.00 H new ATOM 0 HB VAL A 119 19.455 10.269 -12.176 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.597 10.721 -9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.452 9.753 -10.803 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.475 8.966 -9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.926 10.558 -10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.887 8.795 -9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.672 9.481 -11.329 1.00 0.00 H new ATOM 1793 N LYS A 120 17.525 8.659 -13.734 1.00 0.00 N ATOM 1794 CA LYS A 120 16.158 8.543 -14.226 1.00 0.00 C ATOM 1795 C LYS A 120 15.867 7.112 -14.655 1.00 0.00 C ATOM 1796 O LYS A 120 14.861 6.542 -14.239 1.00 0.00 O ATOM 1797 CB LYS A 120 15.946 9.552 -15.366 1.00 0.00 C ATOM 1798 CG LYS A 120 14.583 9.389 -16.048 1.00 0.00 C ATOM 1799 CD LYS A 120 14.401 10.423 -17.166 1.00 0.00 C ATOM 1800 CE LYS A 120 13.091 10.183 -17.927 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.114 8.965 -18.778 1.00 0.00 N ATOM 0 H LYS A 120 18.118 9.291 -14.272 1.00 0.00 H new ATOM 0 HA LYS A 120 15.452 8.780 -13.430 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.033 10.564 -14.972 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.736 9.430 -16.107 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.496 8.384 -16.460 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.788 9.501 -15.311 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.401 11.427 -16.742 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.242 10.369 -17.857 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.274 10.100 -17.210 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.880 11.050 -18.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.506 9.110 -19.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.088 8.778 -19.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.764 8.153 -18.231 1.00 0.00 H new ATOM 1815 N GLU A 121 16.762 6.526 -15.444 1.00 0.00 N ATOM 1816 CA GLU A 121 16.686 5.139 -15.853 1.00 0.00 C ATOM 1817 C GLU A 121 16.564 4.244 -14.622 1.00 0.00 C ATOM 1818 O GLU A 121 15.734 3.345 -14.608 1.00 0.00 O ATOM 1819 CB GLU A 121 17.941 4.826 -16.694 1.00 0.00 C ATOM 1820 CG GLU A 121 18.623 3.472 -16.472 1.00 0.00 C ATOM 1821 CD GLU A 121 17.785 2.239 -16.860 1.00 0.00 C ATOM 1822 OE1 GLU A 121 17.074 2.268 -17.892 1.00 0.00 O ATOM 1823 OE2 GLU A 121 17.885 1.208 -16.159 1.00 0.00 O ATOM 0 H GLU A 121 17.573 7.016 -15.821 1.00 0.00 H new ATOM 0 HA GLU A 121 15.803 4.949 -16.464 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.666 4.895 -17.747 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.676 5.608 -16.504 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.551 3.454 -17.043 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.895 3.389 -15.420 1.00 0.00 H new ATOM 1830 N ARG A 122 17.374 4.475 -13.588 1.00 0.00 N ATOM 1831 CA ARG A 122 17.444 3.601 -12.430 1.00 0.00 C ATOM 1832 C ARG A 122 16.162 3.729 -11.601 1.00 0.00 C ATOM 1833 O ARG A 122 15.657 2.706 -11.151 1.00 0.00 O ATOM 1834 CB ARG A 122 18.719 3.895 -11.632 1.00 0.00 C ATOM 1835 CG ARG A 122 20.040 3.495 -12.318 1.00 0.00 C ATOM 1836 CD ARG A 122 21.209 4.190 -11.605 1.00 0.00 C ATOM 1837 NE ARG A 122 22.521 3.885 -12.206 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.416 2.990 -11.767 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.114 2.147 -10.780 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.618 2.955 -12.329 1.00 0.00 N ATOM 0 H ARG A 122 18.000 5.279 -13.536 1.00 0.00 H new ATOM 0 HA ARG A 122 17.507 2.559 -12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.752 4.963 -11.414 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.655 3.376 -10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.169 2.413 -12.284 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.018 3.780 -13.370 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.049 5.268 -11.625 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.218 3.889 -10.557 1.00 0.00 H new ATOM 0 HE ARG A 122 22.773 4.410 -13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.191 2.178 -10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 122 23.806 1.471 -10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.848 3.603 -13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.312 2.280 -12.007 1.00 0.00 H new ATOM 1854 N VAL A 123 15.586 4.923 -11.424 1.00 0.00 N ATOM 1855 CA VAL A 123 14.261 5.100 -10.851 1.00 0.00 C ATOM 1856 C VAL A 123 13.247 4.279 -11.661 1.00 0.00 C ATOM 1857 O VAL A 123 12.490 3.517 -11.062 1.00 0.00 O ATOM 1858 CB VAL A 123 13.909 6.600 -10.790 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.466 6.813 -10.328 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.809 7.371 -9.813 1.00 0.00 C ATOM 0 H VAL A 123 16.038 5.801 -11.680 1.00 0.00 H new ATOM 0 HA VAL A 123 14.235 4.732 -9.825 1.00 0.00 H new ATOM 0 HB VAL A 123 14.054 6.974 -11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.248 7.881 -10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.785 6.325 -11.025 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.335 6.385 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.522 8.422 -9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.696 6.957 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.849 7.281 -10.128 1.00 0.00 H new ATOM 1870 N GLU A 124 13.237 4.370 -12.998 1.00 0.00 N ATOM 1871 CA GLU A 124 12.304 3.590 -13.812 1.00 0.00 C ATOM 1872 C GLU A 124 12.529 2.085 -13.606 1.00 0.00 C ATOM 1873 O GLU A 124 11.577 1.310 -13.518 1.00 0.00 O ATOM 1874 CB GLU A 124 12.416 3.932 -15.312 1.00 0.00 C ATOM 1875 CG GLU A 124 11.940 5.347 -15.661 1.00 0.00 C ATOM 1876 CD GLU A 124 11.995 5.631 -17.171 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.205 5.034 -17.939 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.805 6.485 -17.600 1.00 0.00 O ATOM 0 H GLU A 124 13.862 4.973 -13.533 1.00 0.00 H new ATOM 0 HA GLU A 124 11.300 3.854 -13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.454 3.821 -15.624 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.832 3.211 -15.884 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.918 5.481 -15.306 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.558 6.075 -15.135 1.00 0.00 H new ATOM 1885 N ASN A 125 13.792 1.680 -13.489 1.00 0.00 N ATOM 1886 CA ASN A 125 14.230 0.309 -13.272 1.00 0.00 C ATOM 1887 C ASN A 125 13.686 -0.204 -11.941 1.00 0.00 C ATOM 1888 O ASN A 125 13.120 -1.292 -11.878 1.00 0.00 O ATOM 1889 CB ASN A 125 15.771 0.267 -13.305 1.00 0.00 C ATOM 1890 CG ASN A 125 16.356 -1.079 -13.695 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.044 -2.114 -13.112 1.00 0.00 O ATOM 1892 ND2 ASN A 125 17.246 -1.078 -14.676 1.00 0.00 N ATOM 0 H ASN A 125 14.573 2.333 -13.546 1.00 0.00 H new ATOM 0 HA ASN A 125 13.846 -0.340 -14.059 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.127 1.021 -14.007 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.151 0.543 -12.321 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.689 -1.951 -14.963 1.00 0.00 H new ATOM 0 HD22 ASN A 125 17.488 -0.205 -15.144 1.00 0.00 H new ATOM 1899 N LEU A 126 13.814 0.600 -10.882 1.00 0.00 N ATOM 1900 CA LEU A 126 13.337 0.263 -9.548 1.00 0.00 C ATOM 1901 C LEU A 126 11.814 0.159 -9.546 1.00 0.00 C ATOM 1902 O LEU A 126 11.290 -0.832 -9.055 1.00 0.00 O ATOM 1903 CB LEU A 126 13.973 1.154 -8.453 1.00 0.00 C ATOM 1904 CG LEU A 126 13.070 2.255 -7.873 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.177 1.730 -6.743 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.876 3.419 -7.307 1.00 0.00 C ATOM 0 H LEU A 126 14.259 1.516 -10.933 1.00 0.00 H new ATOM 0 HA LEU A 126 13.686 -0.731 -9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.301 0.512 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.865 1.624 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 126 12.459 2.593 -8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.556 2.541 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.539 0.933 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.800 1.342 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.196 4.172 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.526 3.058 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.483 3.860 -8.098 1.00 0.00 H new ATOM 1918 N ILE A 127 11.108 1.112 -10.155 1.00 0.00 N ATOM 1919 CA ILE A 127 9.659 1.091 -10.320 1.00 0.00 C ATOM 1920 C ILE A 127 9.223 -0.174 -11.067 1.00 0.00 C ATOM 1921 O ILE A 127 8.189 -0.744 -10.722 1.00 0.00 O ATOM 1922 CB ILE A 127 9.236 2.383 -11.058 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.340 3.624 -10.143 1.00 0.00 C ATOM 1924 CG2 ILE A 127 7.813 2.264 -11.618 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.313 4.950 -10.920 1.00 0.00 C ATOM 0 H ILE A 127 11.543 1.942 -10.558 1.00 0.00 H new ATOM 0 HA ILE A 127 9.163 1.063 -9.350 1.00 0.00 H new ATOM 0 HB ILE A 127 9.929 2.513 -11.889 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.517 3.611 -9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.263 3.566 -9.566 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.545 3.188 -12.131 1.00 0.00 H new ATOM 0 HG22 ILE A 127 7.767 1.432 -12.321 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.114 2.087 -10.801 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.389 5.783 -10.221 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.152 4.981 -11.615 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.378 5.027 -11.476 1.00 0.00 H new ATOM 1937 N ALA A 128 9.966 -0.642 -12.071 1.00 0.00 N ATOM 1938 CA ALA A 128 9.530 -1.764 -12.905 1.00 0.00 C ATOM 1939 C ALA A 128 9.340 -3.042 -12.073 1.00 0.00 C ATOM 1940 O ALA A 128 8.508 -3.891 -12.394 1.00 0.00 O ATOM 1941 CB ALA A 128 10.535 -1.995 -14.040 1.00 0.00 C ATOM 0 H ALA A 128 10.876 -0.260 -12.327 1.00 0.00 H new ATOM 0 HA ALA A 128 8.562 -1.512 -13.338 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.203 -2.831 -14.655 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.603 -1.097 -14.654 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.514 -2.221 -13.618 1.00 0.00 H new ATOM 1947 N LYS A 129 10.107 -3.160 -10.988 1.00 0.00 N ATOM 1948 CA LYS A 129 10.120 -4.287 -10.065 1.00 0.00 C ATOM 1949 C LYS A 129 8.882 -4.327 -9.157 1.00 0.00 C ATOM 1950 O LYS A 129 8.582 -5.382 -8.598 1.00 0.00 O ATOM 1951 CB LYS A 129 11.385 -4.169 -9.208 1.00 0.00 C ATOM 1952 CG LYS A 129 12.666 -4.233 -10.059 1.00 0.00 C ATOM 1953 CD LYS A 129 13.906 -3.871 -9.235 1.00 0.00 C ATOM 1954 CE LYS A 129 15.043 -3.303 -10.105 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.462 -4.193 -11.216 1.00 0.00 N ATOM 0 H LYS A 129 10.769 -2.432 -10.719 1.00 0.00 H new ATOM 0 HA LYS A 129 10.108 -5.211 -10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.363 -3.229 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.399 -4.971 -8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.781 -5.236 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.577 -3.550 -10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.633 -3.139 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.262 -4.758 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.724 -2.347 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.906 -3.103 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.729 -3.617 -12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.277 -4.765 -10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.674 -4.821 -11.473 1.00 0.00 H new ATOM 1969 N ILE A 130 8.168 -3.206 -9.009 1.00 0.00 N ATOM 1970 CA ILE A 130 7.117 -2.980 -8.030 1.00 0.00 C ATOM 1971 C ILE A 130 5.781 -2.501 -8.613 1.00 0.00 C ATOM 1972 O ILE A 130 4.743 -2.643 -7.964 1.00 0.00 O ATOM 1973 CB ILE A 130 7.657 -1.983 -6.984 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.301 -0.707 -7.561 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.626 -2.747 -6.063 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.081 0.137 -6.552 1.00 0.00 C ATOM 0 H ILE A 130 8.322 -2.392 -9.605 1.00 0.00 H new ATOM 0 HA ILE A 130 6.875 -3.943 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 130 6.803 -1.597 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.973 -0.992 -8.370 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.517 -0.089 -8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.025 -2.067 -5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.094 -3.561 -5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.445 -3.155 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.496 1.012 -7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.413 0.459 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.891 -0.457 -6.130 1.00 0.00 H new ATOM 1988 N SER A 131 5.819 -1.957 -9.824 1.00 0.00 N ATOM 1989 CA SER A 131 4.671 -1.617 -10.660 1.00 0.00 C ATOM 1990 C SER A 131 3.616 -2.729 -10.619 1.00 0.00 C ATOM 1991 O SER A 131 3.965 -3.908 -10.846 1.00 0.00 O ATOM 1992 CB SER A 131 5.127 -1.368 -12.100 1.00 0.00 C ATOM 1993 OG SER A 131 5.984 -0.249 -12.158 1.00 0.00 O ATOM 1994 OXT SER A 131 2.431 -2.417 -10.380 1.00 0.00 O ATOM 0 H SER A 131 6.704 -1.727 -10.276 1.00 0.00 H new ATOM 0 HA SER A 131 4.218 -0.706 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.642 -2.249 -12.482 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.260 -1.203 -12.739 1.00 0.00 H new ATOM 0 HG SER A 131 6.853 -0.482 -11.770 1.00 0.00 H new TER 2000 SER A 131