USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 952 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 92 THR OG1 : rot 180:sc= 0.0598 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.925 K(o=0.98,f=-2.7!) USER MOD Set 2.1: A 78 SER OG : rot -96:sc= 1.53 USER MOD Set 2.2: A 80 CYS SG : rot 96:sc= 0.343 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.82 K(o=-1.4,f=-8.2!) USER MOD Set 3.2: A 13 CYS SG : rot 92:sc= -1.06 USER MOD Set 3.3: A 16 GLN : amide:sc= -1.67! X(o=-1.4!,f=-1.5) USER MOD Set 3.4: A 43 HIS : no HD1:sc= -0.305 X(o=-1.4,f=-1.5) USER MOD Set 3.5: A 45 THR OG1 : rot 180:sc= 0.0456 USER MOD Set 3.6: A 60 GLN : amide:sc= 0.745 K(o=-1.4,f=-4.1) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0162) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0756 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.16) USER MOD Single : A 3 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.915) USER MOD Single : A 5 MET CE :methyl -179:sc= -0.445 (180deg=-0.453) USER MOD Single : A 8 CYS SG : rot 66:sc= -0.919 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -130:sc= -0.202 USER MOD Single : A 17 MET CE :methyl -179:sc= -1.66 (180deg=-1.66) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 0.733 (180deg=0.536) USER MOD Single : A 24 THR OG1 : rot 98:sc= 0.493 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.21) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00046 USER MOD Single : A 34 SER OG : rot -92:sc= 1.19 USER MOD Single : A 35 CYS SG : rot -93:sc= 0.616 USER MOD Single : A 49 MET CE :methyl 159:sc= -0.36 (180deg=-1.79) USER MOD Single : A 50 MET CE :methyl 178:sc= -0.634 (180deg=-0.646) USER MOD Single : A 58 SER OG : rot 180:sc= 0.13 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 67 ASN : amide:sc= 1.45 K(o=1.5,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.181 X(o=0.18,f=-0.045) USER MOD Single : A 73 TYR OH : rot 82:sc= 0.0894 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.416 X(o=0.42,f=-0.00084) USER MOD Single : A 107 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.37) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 114 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 118 GLN : amide:sc= 0.898 K(o=0.9,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 172:sc= 2.47 (180deg=2.36) USER MOD Single : A 125 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.18) USER MOD Single : A 131 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.743 -0.726 0.776 1.00 0.00 N ATOM 2 CA MET A 1 1.753 -0.139 -0.166 1.00 0.00 C ATOM 3 C MET A 1 2.737 -1.214 -0.683 1.00 0.00 C ATOM 4 O MET A 1 2.699 -2.355 -0.232 1.00 0.00 O ATOM 5 CB MET A 1 2.550 1.047 0.455 1.00 0.00 C ATOM 6 CG MET A 1 1.755 2.273 0.921 1.00 0.00 C ATOM 7 SD MET A 1 0.417 2.853 -0.169 1.00 0.00 S ATOM 8 CE MET A 1 1.348 3.629 -1.522 1.00 0.00 C ATOM 0 H1 MET A 1 -0.208 -0.640 0.363 1.00 0.00 H new ATOM 0 H2 MET A 1 0.961 -1.730 0.937 1.00 0.00 H new ATOM 0 H3 MET A 1 0.775 -0.215 1.681 1.00 0.00 H new ATOM 0 HA MET A 1 1.178 0.255 -1.004 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.109 0.665 1.309 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.282 1.381 -0.281 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.324 2.047 1.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.455 3.096 1.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.659 3.932 -2.311 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.876 4.505 -1.145 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.069 2.916 -1.923 1.00 0.00 H new ATOM 18 N LYS A 2 3.655 -0.844 -1.597 1.00 0.00 N ATOM 19 CA LYS A 2 4.754 -1.716 -2.055 1.00 0.00 C ATOM 20 C LYS A 2 5.575 -2.104 -0.846 1.00 0.00 C ATOM 21 O LYS A 2 5.909 -1.225 -0.055 1.00 0.00 O ATOM 22 CB LYS A 2 5.687 -1.057 -3.097 1.00 0.00 C ATOM 23 CG LYS A 2 4.971 -0.454 -4.310 1.00 0.00 C ATOM 24 CD LYS A 2 4.444 0.986 -4.066 1.00 0.00 C ATOM 25 CE LYS A 2 5.364 2.136 -4.512 1.00 0.00 C ATOM 26 NZ LYS A 2 5.019 2.599 -5.888 1.00 0.00 N ATOM 0 H LYS A 2 3.655 0.074 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 2 4.300 -2.576 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.261 -0.272 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.401 -1.802 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.656 -0.443 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.135 -1.097 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.490 1.092 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.245 1.101 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.276 2.968 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.402 1.806 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.815 3.141 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.828 1.775 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.174 3.204 -5.849 1.00 0.00 H new ATOM 40 N LYS A 3 5.895 -3.373 -0.689 1.00 0.00 N ATOM 41 CA LYS A 3 6.533 -3.887 0.510 1.00 0.00 C ATOM 42 C LYS A 3 8.022 -4.008 0.229 1.00 0.00 C ATOM 43 O LYS A 3 8.405 -4.429 -0.859 1.00 0.00 O ATOM 44 CB LYS A 3 5.858 -5.218 0.867 1.00 0.00 C ATOM 45 CG LYS A 3 4.373 -5.042 1.207 1.00 0.00 C ATOM 46 CD LYS A 3 3.706 -6.320 1.733 1.00 0.00 C ATOM 47 CE LYS A 3 4.275 -6.758 3.097 1.00 0.00 C ATOM 48 NZ LYS A 3 3.502 -7.869 3.710 1.00 0.00 N ATOM 0 H LYS A 3 5.718 -4.085 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 3 6.422 -3.230 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.958 -5.910 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.372 -5.668 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.271 -4.255 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.843 -4.706 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.633 -6.155 1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.844 -7.123 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.312 -7.069 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.278 -5.905 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.584 -7.819 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.502 -7.787 3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.878 -8.779 3.376 1.00 0.00 H new ATOM 62 N VAL A 4 8.860 -3.639 1.192 1.00 0.00 N ATOM 63 CA VAL A 4 10.301 -3.524 0.991 1.00 0.00 C ATOM 64 C VAL A 4 11.038 -4.191 2.151 1.00 0.00 C ATOM 65 O VAL A 4 10.516 -4.238 3.265 1.00 0.00 O ATOM 66 CB VAL A 4 10.727 -2.055 0.804 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.174 -1.932 0.298 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.818 -1.291 -0.175 1.00 0.00 C ATOM 0 H VAL A 4 8.558 -3.410 2.139 1.00 0.00 H new ATOM 0 HA VAL A 4 10.572 -4.043 0.072 1.00 0.00 H new ATOM 0 HB VAL A 4 10.640 -1.612 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.430 -0.879 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.851 -2.393 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.267 -2.437 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.166 -0.262 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.849 -1.773 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.794 -1.296 0.200 1.00 0.00 H new ATOM 78 N MET A 5 12.264 -4.660 1.912 1.00 0.00 N ATOM 79 CA MET A 5 13.045 -5.406 2.886 1.00 0.00 C ATOM 80 C MET A 5 14.498 -4.965 2.827 1.00 0.00 C ATOM 81 O MET A 5 15.003 -4.691 1.735 1.00 0.00 O ATOM 82 CB MET A 5 12.979 -6.891 2.533 1.00 0.00 C ATOM 83 CG MET A 5 13.628 -7.804 3.581 1.00 0.00 C ATOM 84 SD MET A 5 13.077 -7.553 5.290 1.00 0.00 S ATOM 85 CE MET A 5 11.390 -8.183 5.126 1.00 0.00 C ATOM 0 H MET A 5 12.744 -4.528 1.022 1.00 0.00 H new ATOM 0 HA MET A 5 12.646 -5.227 3.884 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.935 -7.180 2.409 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.470 -7.049 1.573 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.433 -8.840 3.304 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.708 -7.661 3.542 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.874 -8.095 6.082 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.857 -7.604 4.372 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.420 -9.230 4.825 1.00 0.00 H new ATOM 95 N PHE A 6 15.175 -5.005 3.971 1.00 0.00 N ATOM 96 CA PHE A 6 16.577 -4.666 4.132 1.00 0.00 C ATOM 97 C PHE A 6 17.233 -5.784 4.941 1.00 0.00 C ATOM 98 O PHE A 6 16.886 -5.981 6.106 1.00 0.00 O ATOM 99 CB PHE A 6 16.703 -3.308 4.821 1.00 0.00 C ATOM 100 CG PHE A 6 16.325 -2.195 3.880 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.989 -1.770 3.778 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.275 -1.724 2.962 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.617 -0.895 2.745 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.899 -0.819 1.961 1.00 0.00 C ATOM 105 CZ PHE A 6 15.569 -0.398 1.848 1.00 0.00 C ATOM 0 H PHE A 6 14.737 -5.288 4.848 1.00 0.00 H new ATOM 0 HA PHE A 6 17.080 -4.581 3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.060 -3.280 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.726 -3.165 5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.253 -2.114 4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.299 -2.060 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.583 -0.602 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.641 -0.443 1.272 1.00 0.00 H new ATOM 0 HZ PHE A 6 15.281 0.302 1.078 1.00 0.00 H new ATOM 115 N VAL A 7 18.122 -6.556 4.329 1.00 0.00 N ATOM 116 CA VAL A 7 18.695 -7.746 4.957 1.00 0.00 C ATOM 117 C VAL A 7 20.045 -7.339 5.548 1.00 0.00 C ATOM 118 O VAL A 7 20.796 -6.618 4.888 1.00 0.00 O ATOM 119 CB VAL A 7 18.823 -8.898 3.941 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.050 -10.244 4.638 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.585 -9.028 3.026 1.00 0.00 C ATOM 0 H VAL A 7 18.467 -6.378 3.386 1.00 0.00 H new ATOM 0 HA VAL A 7 18.047 -8.121 5.749 1.00 0.00 H new ATOM 0 HB VAL A 7 19.688 -8.645 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.135 -11.032 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.968 -10.200 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.209 -10.459 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.731 -9.855 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.701 -9.217 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.448 -8.103 2.465 1.00 0.00 H new ATOM 131 N CYS A 8 20.364 -7.791 6.765 1.00 0.00 N ATOM 132 CA CYS A 8 21.518 -7.304 7.522 1.00 0.00 C ATOM 133 C CYS A 8 22.529 -8.410 7.860 1.00 0.00 C ATOM 134 O CYS A 8 22.142 -9.543 8.141 1.00 0.00 O ATOM 135 CB CYS A 8 21.050 -6.620 8.821 1.00 0.00 C ATOM 136 SG CYS A 8 19.461 -5.728 8.707 1.00 0.00 S ATOM 0 H CYS A 8 19.826 -8.507 7.253 1.00 0.00 H new ATOM 0 HA CYS A 8 22.029 -6.587 6.879 1.00 0.00 H new ATOM 0 HB2 CYS A 8 20.967 -7.377 9.601 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.820 -5.917 9.139 1.00 0.00 H new ATOM 0 HG CYS A 8 18.500 -6.578 8.495 1.00 0.00 H new ATOM 142 N LYS A 9 23.822 -8.047 7.895 1.00 0.00 N ATOM 143 CA LYS A 9 24.955 -8.889 8.305 1.00 0.00 C ATOM 144 C LYS A 9 26.044 -7.990 8.890 1.00 0.00 C ATOM 145 O LYS A 9 26.051 -6.792 8.601 1.00 0.00 O ATOM 146 CB LYS A 9 25.509 -9.688 7.102 1.00 0.00 C ATOM 147 CG LYS A 9 24.771 -11.019 6.884 1.00 0.00 C ATOM 148 CD LYS A 9 25.457 -11.947 5.865 1.00 0.00 C ATOM 149 CE LYS A 9 26.907 -12.365 6.194 1.00 0.00 C ATOM 150 NZ LYS A 9 27.050 -13.044 7.508 1.00 0.00 N ATOM 0 H LYS A 9 24.119 -7.110 7.624 1.00 0.00 H new ATOM 0 HA LYS A 9 24.621 -9.606 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.429 -9.081 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.569 -9.887 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.689 -11.539 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.756 -10.810 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.855 -12.850 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.455 -11.451 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.271 -13.030 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.543 -11.480 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.047 -13.296 7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.733 -12.405 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.470 -13.907 7.518 1.00 0.00 H new ATOM 164 N ARG A 10 27.018 -8.563 9.601 1.00 0.00 N ATOM 165 CA ARG A 10 28.021 -7.851 10.417 1.00 0.00 C ATOM 166 C ARG A 10 27.291 -6.947 11.405 1.00 0.00 C ATOM 167 O ARG A 10 26.231 -7.348 11.876 1.00 0.00 O ATOM 168 CB ARG A 10 29.097 -7.181 9.520 1.00 0.00 C ATOM 169 CG ARG A 10 30.565 -7.244 10.007 1.00 0.00 C ATOM 170 CD ARG A 10 30.954 -6.638 11.377 1.00 0.00 C ATOM 171 NE ARG A 10 30.637 -7.532 12.514 1.00 0.00 N ATOM 172 CZ ARG A 10 31.365 -8.590 12.914 1.00 0.00 C ATOM 173 NH1 ARG A 10 32.448 -8.973 12.241 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.992 -9.280 13.988 1.00 0.00 N ATOM 0 H ARG A 10 27.140 -9.575 9.629 1.00 0.00 H new ATOM 0 HA ARG A 10 28.609 -8.536 11.027 1.00 0.00 H new ATOM 0 HB2 ARG A 10 29.049 -7.642 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.827 -6.132 9.396 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.856 -8.294 10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 10 31.178 -6.755 9.250 1.00 0.00 H new ATOM 0 HD2 ARG A 10 32.022 -6.418 11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.433 -5.690 11.510 1.00 0.00 H new ATOM 0 HE ARG A 10 29.789 -7.327 13.042 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.738 -8.462 11.407 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.988 -9.778 12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.157 -9.006 14.505 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.541 -10.083 14.294 1.00 0.00 H new ATOM 188 N ASN A 11 27.819 -5.770 11.763 1.00 0.00 N ATOM 189 CA ASN A 11 27.049 -4.841 12.588 1.00 0.00 C ATOM 190 C ASN A 11 25.858 -4.392 11.759 1.00 0.00 C ATOM 191 O ASN A 11 25.988 -3.533 10.887 1.00 0.00 O ATOM 192 CB ASN A 11 27.871 -3.663 13.133 1.00 0.00 C ATOM 193 CG ASN A 11 27.052 -2.827 14.125 1.00 0.00 C ATOM 194 OD1 ASN A 11 25.830 -2.787 14.071 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.691 -2.166 15.070 1.00 0.00 N ATOM 0 H ASN A 11 28.751 -5.447 11.501 1.00 0.00 H new ATOM 0 HA ASN A 11 26.717 -5.352 13.492 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.769 -4.039 13.624 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.200 -3.033 12.307 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.167 -1.622 15.755 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.709 -2.199 15.116 1.00 0.00 H new ATOM 202 N SER A 12 24.709 -5.013 12.016 1.00 0.00 N ATOM 203 CA SER A 12 23.501 -4.820 11.234 1.00 0.00 C ATOM 204 C SER A 12 22.941 -3.398 11.308 1.00 0.00 C ATOM 205 O SER A 12 22.029 -3.085 10.549 1.00 0.00 O ATOM 206 CB SER A 12 22.522 -5.876 11.710 1.00 0.00 C ATOM 207 OG SER A 12 23.032 -7.143 11.299 1.00 0.00 O ATOM 0 H SER A 12 24.595 -5.673 12.785 1.00 0.00 H new ATOM 0 HA SER A 12 23.713 -4.938 10.171 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.413 -5.839 12.794 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.533 -5.703 11.285 1.00 0.00 H new ATOM 0 HG SER A 12 22.422 -7.852 11.593 1.00 0.00 H new ATOM 213 N CYS A 13 23.527 -2.504 12.114 1.00 0.00 N ATOM 214 CA CYS A 13 23.209 -1.082 12.097 1.00 0.00 C ATOM 215 C CYS A 13 23.195 -0.489 10.690 1.00 0.00 C ATOM 216 O CYS A 13 22.302 0.288 10.394 1.00 0.00 O ATOM 217 CB CYS A 13 24.127 -0.306 13.034 1.00 0.00 C ATOM 218 SG CYS A 13 23.603 -0.735 14.715 1.00 0.00 S ATOM 0 H CYS A 13 24.240 -2.755 12.799 1.00 0.00 H new ATOM 0 HA CYS A 13 22.189 -0.984 12.468 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.170 -0.576 12.870 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.044 0.767 12.861 1.00 0.00 H new ATOM 0 HG CYS A 13 24.296 -1.750 15.140 1.00 0.00 H new ATOM 224 N ARG A 14 24.102 -0.880 9.790 1.00 0.00 N ATOM 225 CA ARG A 14 24.151 -0.316 8.421 1.00 0.00 C ATOM 226 C ARG A 14 22.876 -0.624 7.630 1.00 0.00 C ATOM 227 O ARG A 14 22.329 0.225 6.934 1.00 0.00 O ATOM 228 CB ARG A 14 25.420 -0.796 7.675 1.00 0.00 C ATOM 229 CG ARG A 14 25.533 -2.323 7.488 1.00 0.00 C ATOM 230 CD ARG A 14 26.855 -2.744 6.843 1.00 0.00 C ATOM 231 NE ARG A 14 27.025 -4.210 6.888 1.00 0.00 N ATOM 232 CZ ARG A 14 27.831 -4.930 6.095 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.631 -4.336 5.219 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.827 -6.253 6.198 1.00 0.00 N ATOM 0 H ARG A 14 24.816 -1.584 9.977 1.00 0.00 H new ATOM 0 HA ARG A 14 24.207 0.769 8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.446 -0.323 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.297 -0.447 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.435 -2.812 8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.705 -2.671 6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.883 -2.403 5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.685 -2.262 7.360 1.00 0.00 H new ATOM 0 HE ARG A 14 26.481 -4.720 7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.638 -3.319 5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.239 -4.896 4.622 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.216 -6.710 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.435 -6.813 5.601 1.00 0.00 H new ATOM 248 N SER A 15 22.372 -1.839 7.766 1.00 0.00 N ATOM 249 CA SER A 15 21.311 -2.370 6.931 1.00 0.00 C ATOM 250 C SER A 15 19.957 -2.100 7.588 1.00 0.00 C ATOM 251 O SER A 15 19.014 -1.693 6.914 1.00 0.00 O ATOM 252 CB SER A 15 21.632 -3.846 6.667 1.00 0.00 C ATOM 253 OG SER A 15 22.694 -4.326 7.506 1.00 0.00 O ATOM 0 H SER A 15 22.697 -2.496 8.475 1.00 0.00 H new ATOM 0 HA SER A 15 21.247 -1.880 5.959 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.738 -4.447 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.910 -3.975 5.621 1.00 0.00 H new ATOM 0 HG SER A 15 23.364 -4.783 6.956 1.00 0.00 H new ATOM 259 N GLN A 16 19.869 -2.184 8.916 1.00 0.00 N ATOM 260 CA GLN A 16 18.681 -1.729 9.627 1.00 0.00 C ATOM 261 C GLN A 16 18.542 -0.195 9.503 1.00 0.00 C ATOM 262 O GLN A 16 17.424 0.309 9.434 1.00 0.00 O ATOM 263 CB GLN A 16 18.728 -2.253 11.072 1.00 0.00 C ATOM 264 CG GLN A 16 19.546 -1.331 11.981 1.00 0.00 C ATOM 265 CD GLN A 16 19.660 -1.832 13.413 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.630 -2.469 13.800 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.682 -1.505 14.236 1.00 0.00 N ATOM 0 H GLN A 16 20.603 -2.561 9.515 1.00 0.00 H new ATOM 0 HA GLN A 16 17.774 -2.137 9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.713 -2.341 11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.161 -3.253 11.083 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.547 -1.218 11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.089 -0.341 11.986 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.882 -0.973 13.892 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.726 -1.784 15.216 1.00 0.00 H new ATOM 276 N MET A 17 19.655 0.557 9.404 1.00 0.00 N ATOM 277 CA MET A 17 19.635 1.990 9.108 1.00 0.00 C ATOM 278 C MET A 17 19.042 2.212 7.737 1.00 0.00 C ATOM 279 O MET A 17 18.311 3.177 7.538 1.00 0.00 O ATOM 280 CB MET A 17 21.046 2.597 9.126 1.00 0.00 C ATOM 281 CG MET A 17 21.135 4.042 8.601 1.00 0.00 C ATOM 282 SD MET A 17 20.447 5.358 9.638 1.00 0.00 S ATOM 283 CE MET A 17 18.635 5.354 9.562 1.00 0.00 C ATOM 0 H MET A 17 20.594 0.179 9.529 1.00 0.00 H new ATOM 0 HA MET A 17 19.036 2.475 9.878 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.423 2.573 10.148 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.705 1.967 8.528 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.186 4.270 8.423 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.633 4.079 7.634 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.243 6.163 10.178 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.314 5.495 8.530 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.257 4.401 9.932 1.00 0.00 H new ATOM 293 N ALA A 18 19.337 1.330 6.792 1.00 0.00 N ATOM 294 CA ALA A 18 18.786 1.466 5.468 1.00 0.00 C ATOM 295 C ALA A 18 17.261 1.401 5.553 1.00 0.00 C ATOM 296 O ALA A 18 16.589 2.244 4.970 1.00 0.00 O ATOM 297 CB ALA A 18 19.422 0.401 4.583 1.00 0.00 C ATOM 0 H ALA A 18 19.949 0.524 6.923 1.00 0.00 H new ATOM 0 HA ALA A 18 19.014 2.430 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.022 0.481 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.502 0.546 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.198 -0.587 4.985 1.00 0.00 H new ATOM 303 N GLU A 19 16.715 0.520 6.394 1.00 0.00 N ATOM 304 CA GLU A 19 15.292 0.555 6.694 1.00 0.00 C ATOM 305 C GLU A 19 14.913 1.846 7.425 1.00 0.00 C ATOM 306 O GLU A 19 13.862 2.393 7.126 1.00 0.00 O ATOM 307 CB GLU A 19 14.873 -0.663 7.520 1.00 0.00 C ATOM 308 CG GLU A 19 13.344 -0.776 7.665 1.00 0.00 C ATOM 309 CD GLU A 19 12.927 -1.108 9.101 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.962 -2.297 9.482 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.626 -0.177 9.881 1.00 0.00 O ATOM 0 H GLU A 19 17.234 -0.217 6.872 1.00 0.00 H new ATOM 0 HA GLU A 19 14.757 0.528 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.258 -1.568 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.326 -0.601 8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.881 0.162 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.972 -1.548 6.992 1.00 0.00 H new ATOM 318 N GLY A 20 15.729 2.383 8.343 1.00 0.00 N ATOM 319 CA GLY A 20 15.354 3.570 9.104 1.00 0.00 C ATOM 320 C GLY A 20 15.208 4.793 8.209 1.00 0.00 C ATOM 321 O GLY A 20 14.226 5.530 8.309 1.00 0.00 O ATOM 0 H GLY A 20 16.650 2.010 8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.414 3.386 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.108 3.766 9.867 1.00 0.00 H new ATOM 325 N PHE A 21 16.129 4.972 7.261 1.00 0.00 N ATOM 326 CA PHE A 21 15.990 5.985 6.224 1.00 0.00 C ATOM 327 C PHE A 21 14.823 5.621 5.319 1.00 0.00 C ATOM 328 O PHE A 21 14.091 6.507 4.903 1.00 0.00 O ATOM 329 CB PHE A 21 17.286 6.114 5.408 1.00 0.00 C ATOM 330 CG PHE A 21 18.370 6.957 6.045 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.117 8.306 6.362 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.651 6.423 6.276 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.122 9.107 6.926 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.653 7.221 6.838 1.00 0.00 C ATOM 335 CZ PHE A 21 20.392 8.564 7.172 1.00 0.00 C ATOM 0 H PHE A 21 16.985 4.421 7.194 1.00 0.00 H new ATOM 0 HA PHE A 21 15.796 6.950 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.684 5.115 5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.042 6.540 4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.141 8.727 6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.861 5.395 6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.918 10.139 7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.633 6.804 7.017 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.166 9.173 7.615 1.00 0.00 H new ATOM 345 N ALA A 22 14.601 4.342 5.015 1.00 0.00 N ATOM 346 CA ALA A 22 13.560 3.971 4.071 1.00 0.00 C ATOM 347 C ALA A 22 12.162 4.163 4.667 1.00 0.00 C ATOM 348 O ALA A 22 11.285 4.605 3.938 1.00 0.00 O ATOM 349 CB ALA A 22 13.822 2.560 3.534 1.00 0.00 C ATOM 0 H ALA A 22 15.124 3.558 5.406 1.00 0.00 H new ATOM 0 HA ALA A 22 13.592 4.644 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.038 2.288 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.789 2.536 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.826 1.851 4.362 1.00 0.00 H new ATOM 355 N LYS A 23 11.920 3.936 5.963 1.00 0.00 N ATOM 356 CA LYS A 23 10.637 4.282 6.599 1.00 0.00 C ATOM 357 C LYS A 23 10.429 5.791 6.648 1.00 0.00 C ATOM 358 O LYS A 23 9.306 6.256 6.501 1.00 0.00 O ATOM 359 CB LYS A 23 10.464 3.622 7.991 1.00 0.00 C ATOM 360 CG LYS A 23 11.415 4.135 9.086 1.00 0.00 C ATOM 361 CD LYS A 23 11.136 3.516 10.464 1.00 0.00 C ATOM 362 CE LYS A 23 12.151 4.049 11.497 1.00 0.00 C ATOM 363 NZ LYS A 23 11.939 3.491 12.865 1.00 0.00 N ATOM 0 H LYS A 23 12.597 3.512 6.597 1.00 0.00 H new ATOM 0 HA LYS A 23 9.850 3.866 5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.437 3.777 8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.606 2.546 7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.443 3.917 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.327 5.219 9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.121 3.757 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.202 2.430 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.160 3.807 11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.081 5.136 11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.799 3.629 13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.141 3.979 13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.729 2.475 12.797 1.00 0.00 H new ATOM 377 N THR A 24 11.509 6.546 6.823 1.00 0.00 N ATOM 378 CA THR A 24 11.522 7.996 6.892 1.00 0.00 C ATOM 379 C THR A 24 11.197 8.599 5.517 1.00 0.00 C ATOM 380 O THR A 24 10.321 9.454 5.390 1.00 0.00 O ATOM 381 CB THR A 24 12.930 8.358 7.403 1.00 0.00 C ATOM 382 OG1 THR A 24 13.001 8.129 8.796 1.00 0.00 O ATOM 383 CG2 THR A 24 13.428 9.756 7.068 1.00 0.00 C ATOM 0 H THR A 24 12.440 6.141 6.925 1.00 0.00 H new ATOM 0 HA THR A 24 10.763 8.402 7.561 1.00 0.00 H new ATOM 0 HB THR A 24 13.606 7.700 6.856 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.419 7.258 8.964 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.428 9.894 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.460 9.881 5.986 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.753 10.496 7.499 1.00 0.00 H new ATOM 391 N LEU A 25 11.899 8.142 4.480 1.00 0.00 N ATOM 392 CA LEU A 25 11.897 8.727 3.142 1.00 0.00 C ATOM 393 C LEU A 25 10.838 8.084 2.238 1.00 0.00 C ATOM 394 O LEU A 25 10.348 8.716 1.303 1.00 0.00 O ATOM 395 CB LEU A 25 13.285 8.528 2.517 1.00 0.00 C ATOM 396 CG LEU A 25 14.416 9.356 3.131 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.749 8.951 2.489 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.209 10.862 2.951 1.00 0.00 C ATOM 0 H LEU A 25 12.506 7.325 4.553 1.00 0.00 H new ATOM 0 HA LEU A 25 11.657 9.786 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.549 7.473 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.222 8.765 1.455 1.00 0.00 H new ATOM 0 HG LEU A 25 14.422 9.152 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.556 9.540 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.933 7.892 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.706 9.133 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.041 11.400 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.161 11.098 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.277 11.161 3.431 1.00 0.00 H new ATOM 410 N GLY A 26 10.471 6.836 2.539 1.00 0.00 N ATOM 411 CA GLY A 26 9.470 6.032 1.848 1.00 0.00 C ATOM 412 C GLY A 26 8.081 6.161 2.487 1.00 0.00 C ATOM 413 O GLY A 26 7.176 5.391 2.164 1.00 0.00 O ATOM 0 H GLY A 26 10.893 6.333 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.417 6.339 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.777 4.986 1.858 1.00 0.00 H new ATOM 417 N ALA A 27 7.922 7.088 3.433 1.00 0.00 N ATOM 418 CA ALA A 27 6.743 7.210 4.272 1.00 0.00 C ATOM 419 C ALA A 27 5.509 7.467 3.408 1.00 0.00 C ATOM 420 O ALA A 27 5.463 8.443 2.654 1.00 0.00 O ATOM 421 CB ALA A 27 6.965 8.335 5.295 1.00 0.00 C ATOM 0 H ALA A 27 8.633 7.791 3.637 1.00 0.00 H new ATOM 0 HA ALA A 27 6.574 6.281 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.083 8.431 5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.831 8.099 5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.139 9.275 4.771 1.00 0.00 H new ATOM 427 N GLY A 28 4.512 6.584 3.516 1.00 0.00 N ATOM 428 CA GLY A 28 3.250 6.718 2.792 1.00 0.00 C ATOM 429 C GLY A 28 3.355 6.351 1.313 1.00 0.00 C ATOM 430 O GLY A 28 2.416 6.586 0.553 1.00 0.00 O ATOM 0 H GLY A 28 4.560 5.756 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.500 6.083 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.897 7.746 2.879 1.00 0.00 H new ATOM 434 N LYS A 29 4.486 5.769 0.896 1.00 0.00 N ATOM 435 CA LYS A 29 4.792 5.382 -0.469 1.00 0.00 C ATOM 436 C LYS A 29 5.088 3.899 -0.511 1.00 0.00 C ATOM 437 O LYS A 29 4.705 3.217 -1.455 1.00 0.00 O ATOM 438 CB LYS A 29 6.019 6.172 -0.933 1.00 0.00 C ATOM 439 CG LYS A 29 5.735 7.673 -1.061 1.00 0.00 C ATOM 440 CD LYS A 29 4.834 7.962 -2.274 1.00 0.00 C ATOM 441 CE LYS A 29 4.973 9.412 -2.759 1.00 0.00 C ATOM 442 NZ LYS A 29 4.460 9.567 -4.145 1.00 0.00 N ATOM 0 H LYS A 29 5.245 5.548 1.541 1.00 0.00 H new ATOM 0 HA LYS A 29 3.947 5.595 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.835 6.019 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.354 5.785 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.254 8.035 -0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.674 8.217 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.090 7.282 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.795 7.766 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.426 10.076 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.020 9.712 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.598 10.549 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.976 8.925 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.446 9.335 -4.168 1.00 0.00 H new ATOM 456 N ILE A 30 5.746 3.396 0.528 1.00 0.00 N ATOM 457 CA ILE A 30 6.129 2.006 0.672 1.00 0.00 C ATOM 458 C ILE A 30 5.882 1.570 2.112 1.00 0.00 C ATOM 459 O ILE A 30 5.739 2.390 3.019 1.00 0.00 O ATOM 460 CB ILE A 30 7.607 1.820 0.263 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.587 2.697 1.073 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.761 2.092 -1.242 1.00 0.00 C ATOM 463 CD1 ILE A 30 10.043 2.216 1.052 1.00 0.00 C ATOM 0 H ILE A 30 6.035 3.971 1.319 1.00 0.00 H new ATOM 0 HA ILE A 30 5.527 1.379 0.014 1.00 0.00 H new ATOM 0 HB ILE A 30 7.872 0.787 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.549 3.715 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.247 2.738 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.804 1.961 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.139 1.395 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.450 3.113 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.658 2.892 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.100 1.211 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.407 2.203 0.025 1.00 0.00 H new ATOM 475 N ALA A 31 5.851 0.256 2.294 1.00 0.00 N ATOM 476 CA ALA A 31 5.857 -0.403 3.591 1.00 0.00 C ATOM 477 C ALA A 31 7.236 -1.039 3.661 1.00 0.00 C ATOM 478 O ALA A 31 7.650 -1.652 2.680 1.00 0.00 O ATOM 479 CB ALA A 31 4.767 -1.475 3.631 1.00 0.00 C ATOM 0 H ALA A 31 5.820 -0.402 1.515 1.00 0.00 H new ATOM 0 HA ALA A 31 5.664 0.274 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.775 -1.966 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.794 -1.011 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.954 -2.213 2.851 1.00 0.00 H new ATOM 485 N VAL A 32 7.971 -0.897 4.755 1.00 0.00 N ATOM 486 CA VAL A 32 9.366 -1.276 4.785 1.00 0.00 C ATOM 487 C VAL A 32 9.789 -1.928 6.106 1.00 0.00 C ATOM 488 O VAL A 32 9.351 -1.516 7.183 1.00 0.00 O ATOM 489 CB VAL A 32 10.113 -0.008 4.357 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.907 1.269 5.177 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.600 -0.258 4.182 1.00 0.00 C ATOM 0 H VAL A 32 7.617 -0.520 5.634 1.00 0.00 H new ATOM 0 HA VAL A 32 9.612 -2.087 4.099 1.00 0.00 H new ATOM 0 HB VAL A 32 9.626 0.207 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.502 2.076 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.853 1.546 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.220 1.095 6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.091 0.667 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.025 -0.602 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.753 -1.019 3.416 1.00 0.00 H new ATOM 501 N THR A 33 10.637 -2.957 5.995 1.00 0.00 N ATOM 502 CA THR A 33 11.011 -3.874 7.078 1.00 0.00 C ATOM 503 C THR A 33 12.505 -4.248 6.958 1.00 0.00 C ATOM 504 O THR A 33 13.122 -4.008 5.915 1.00 0.00 O ATOM 505 CB THR A 33 10.083 -5.108 6.993 1.00 0.00 C ATOM 506 OG1 THR A 33 8.729 -4.748 6.731 1.00 0.00 O ATOM 507 CG2 THR A 33 10.086 -6.030 8.220 1.00 0.00 C ATOM 0 H THR A 33 11.099 -3.183 5.114 1.00 0.00 H new ATOM 0 HA THR A 33 10.885 -3.408 8.055 1.00 0.00 H new ATOM 0 HB THR A 33 10.514 -5.666 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.179 -5.557 6.684 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.401 -6.861 8.052 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.092 -6.416 8.383 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.767 -5.468 9.098 1.00 0.00 H new ATOM 515 N SER A 34 13.102 -4.856 7.989 1.00 0.00 N ATOM 516 CA SER A 34 14.484 -5.341 7.985 1.00 0.00 C ATOM 517 C SER A 34 14.556 -6.729 8.630 1.00 0.00 C ATOM 518 O SER A 34 13.654 -7.108 9.385 1.00 0.00 O ATOM 519 CB SER A 34 15.430 -4.335 8.662 1.00 0.00 C ATOM 520 OG SER A 34 14.966 -3.888 9.923 1.00 0.00 O ATOM 0 H SER A 34 12.623 -5.028 8.873 1.00 0.00 H new ATOM 0 HA SER A 34 14.820 -5.436 6.953 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.410 -4.796 8.786 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.563 -3.475 8.006 1.00 0.00 H new ATOM 0 HG SER A 34 14.445 -3.066 9.807 1.00 0.00 H new ATOM 526 N CYS A 35 15.611 -7.496 8.336 1.00 0.00 N ATOM 527 CA CYS A 35 15.809 -8.822 8.910 1.00 0.00 C ATOM 528 C CYS A 35 17.288 -9.153 8.984 1.00 0.00 C ATOM 529 O CYS A 35 18.096 -8.591 8.241 1.00 0.00 O ATOM 530 CB CYS A 35 15.029 -9.859 8.082 1.00 0.00 C ATOM 531 SG CYS A 35 15.565 -9.922 6.347 1.00 0.00 S ATOM 0 H CYS A 35 16.349 -7.211 7.693 1.00 0.00 H new ATOM 0 HA CYS A 35 15.425 -8.842 9.930 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.153 -10.844 8.532 1.00 0.00 H new ATOM 0 HB3 CYS A 35 13.966 -9.623 8.121 1.00 0.00 H new ATOM 0 HG CYS A 35 14.823 -9.127 5.634 1.00 0.00 H new ATOM 537 N GLY A 36 17.630 -10.098 9.861 1.00 0.00 N ATOM 538 CA GLY A 36 19.014 -10.354 10.236 1.00 0.00 C ATOM 539 C GLY A 36 19.438 -9.218 11.172 1.00 0.00 C ATOM 540 O GLY A 36 18.985 -8.079 11.041 1.00 0.00 O ATOM 0 H GLY A 36 16.955 -10.704 10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.107 -11.319 10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.653 -10.387 9.354 1.00 0.00 H new ATOM 624 N VAL A 42 20.979 -4.253 18.554 1.00 0.00 N ATOM 625 CA VAL A 42 21.286 -2.978 17.924 1.00 0.00 C ATOM 626 C VAL A 42 22.494 -2.372 18.654 1.00 0.00 C ATOM 627 O VAL A 42 22.935 -2.891 19.683 1.00 0.00 O ATOM 628 CB VAL A 42 20.023 -2.088 17.963 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.823 -2.784 17.298 1.00 0.00 C ATOM 630 CG2 VAL A 42 19.609 -1.651 19.381 1.00 0.00 C ATOM 0 HA VAL A 42 21.558 -3.084 16.874 1.00 0.00 H new ATOM 0 HB VAL A 42 20.301 -1.193 17.407 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.952 -2.130 17.343 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.060 -3.001 16.256 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.606 -3.714 17.822 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.715 -1.030 19.324 1.00 0.00 H new ATOM 0 HG22 VAL A 42 19.400 -2.533 19.987 1.00 0.00 H new ATOM 0 HG23 VAL A 42 20.418 -1.081 19.837 1.00 0.00 H new ATOM 640 N HIS A 43 23.023 -1.260 18.143 1.00 0.00 N ATOM 641 CA HIS A 43 24.268 -0.683 18.633 1.00 0.00 C ATOM 642 C HIS A 43 24.016 0.795 18.929 1.00 0.00 C ATOM 643 O HIS A 43 23.763 1.550 17.988 1.00 0.00 O ATOM 644 CB HIS A 43 25.354 -0.933 17.578 1.00 0.00 C ATOM 645 CG HIS A 43 26.761 -0.811 18.105 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.682 0.158 17.763 1.00 0.00 N ATOM 647 CD2 HIS A 43 27.367 -1.640 19.014 1.00 0.00 C ATOM 648 CE1 HIS A 43 28.807 -0.077 18.462 1.00 0.00 C ATOM 649 NE2 HIS A 43 28.666 -1.168 19.237 1.00 0.00 N ATOM 0 H HIS A 43 22.598 -0.736 17.378 1.00 0.00 H new ATOM 0 HA HIS A 43 24.616 -1.139 19.560 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.218 -1.931 17.161 1.00 0.00 H new ATOM 0 HB3 HIS A 43 25.221 -0.225 16.760 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.920 -2.507 19.478 1.00 0.00 H new ATOM 0 HE1 HIS A 43 29.701 0.527 18.409 1.00 0.00 H new ATOM 0 HE2 HIS A 43 29.365 -1.570 19.861 1.00 0.00 H new ATOM 657 N PRO A 44 24.022 1.229 20.204 1.00 0.00 N ATOM 658 CA PRO A 44 23.677 2.594 20.602 1.00 0.00 C ATOM 659 C PRO A 44 24.424 3.693 19.847 1.00 0.00 C ATOM 660 O PRO A 44 23.855 4.758 19.618 1.00 0.00 O ATOM 661 CB PRO A 44 23.934 2.670 22.107 1.00 0.00 C ATOM 662 CG PRO A 44 23.717 1.235 22.574 1.00 0.00 C ATOM 663 CD PRO A 44 24.206 0.402 21.393 1.00 0.00 C ATOM 0 HA PRO A 44 22.635 2.786 20.347 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.945 3.015 22.325 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.248 3.361 22.598 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.282 1.018 23.481 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.668 1.039 22.797 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.254 0.128 21.518 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.641 -0.527 21.312 1.00 0.00 H new ATOM 671 N THR A 45 25.660 3.448 19.402 1.00 0.00 N ATOM 672 CA THR A 45 26.420 4.404 18.598 1.00 0.00 C ATOM 673 C THR A 45 25.691 4.719 17.285 1.00 0.00 C ATOM 674 O THR A 45 25.637 5.878 16.881 1.00 0.00 O ATOM 675 CB THR A 45 27.841 3.853 18.347 1.00 0.00 C ATOM 676 OG1 THR A 45 28.312 3.116 19.468 1.00 0.00 O ATOM 677 CG2 THR A 45 28.837 4.969 18.024 1.00 0.00 C ATOM 0 H THR A 45 26.161 2.579 19.590 1.00 0.00 H new ATOM 0 HA THR A 45 26.507 5.343 19.144 1.00 0.00 H new ATOM 0 HB THR A 45 27.769 3.191 17.484 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.213 2.777 19.282 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.824 4.538 17.854 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.513 5.498 17.128 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.885 5.667 18.860 1.00 0.00 H new ATOM 685 N ALA A 46 25.065 3.722 16.639 1.00 0.00 N ATOM 686 CA ALA A 46 24.282 3.977 15.432 1.00 0.00 C ATOM 687 C ALA A 46 23.058 4.788 15.799 1.00 0.00 C ATOM 688 O ALA A 46 22.793 5.785 15.144 1.00 0.00 O ATOM 689 CB ALA A 46 23.888 2.668 14.738 1.00 0.00 C ATOM 0 H ALA A 46 25.088 2.745 16.932 1.00 0.00 H new ATOM 0 HA ALA A 46 24.890 4.542 14.725 1.00 0.00 H new ATOM 0 HB1 ALA A 46 23.306 2.891 13.844 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.787 2.119 14.459 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.290 2.062 15.418 1.00 0.00 H new ATOM 695 N ILE A 47 22.363 4.424 16.880 1.00 0.00 N ATOM 696 CA ILE A 47 21.173 5.156 17.321 1.00 0.00 C ATOM 697 C ILE A 47 21.549 6.625 17.504 1.00 0.00 C ATOM 698 O ILE A 47 20.839 7.487 17.003 1.00 0.00 O ATOM 699 CB ILE A 47 20.555 4.551 18.595 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.726 3.288 18.314 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.638 5.532 19.354 1.00 0.00 C ATOM 702 CD1 ILE A 47 20.495 2.032 17.924 1.00 0.00 C ATOM 0 H ILE A 47 22.605 3.625 17.467 1.00 0.00 H new ATOM 0 HA ILE A 47 20.398 5.074 16.559 1.00 0.00 H new ATOM 0 HB ILE A 47 21.422 4.306 19.208 1.00 0.00 H new ATOM 0 HG12 ILE A 47 19.138 3.063 19.204 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.021 3.516 17.515 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.236 5.042 20.241 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.212 6.409 19.653 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.817 5.839 18.705 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.794 1.215 17.754 1.00 0.00 H new ATOM 0 HD12 ILE A 47 21.061 2.221 17.012 1.00 0.00 H new ATOM 0 HD13 ILE A 47 21.180 1.761 18.727 1.00 0.00 H new ATOM 714 N ALA A 48 22.691 6.917 18.130 1.00 0.00 N ATOM 715 CA ALA A 48 23.147 8.287 18.298 1.00 0.00 C ATOM 716 C ALA A 48 23.360 8.975 16.953 1.00 0.00 C ATOM 717 O ALA A 48 22.919 10.106 16.773 1.00 0.00 O ATOM 718 CB ALA A 48 24.422 8.334 19.136 1.00 0.00 C ATOM 0 H ALA A 48 23.315 6.215 18.528 1.00 0.00 H new ATOM 0 HA ALA A 48 22.365 8.832 18.828 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.745 9.369 19.249 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.227 7.905 20.119 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.205 7.761 18.639 1.00 0.00 H new ATOM 724 N MET A 49 23.983 8.295 15.989 1.00 0.00 N ATOM 725 CA MET A 49 24.193 8.870 14.664 1.00 0.00 C ATOM 726 C MET A 49 22.884 9.103 13.921 1.00 0.00 C ATOM 727 O MET A 49 22.877 9.863 12.954 1.00 0.00 O ATOM 728 CB MET A 49 25.107 8.018 13.791 1.00 0.00 C ATOM 729 CG MET A 49 26.532 7.970 14.321 1.00 0.00 C ATOM 730 SD MET A 49 27.319 9.510 14.865 1.00 0.00 S ATOM 731 CE MET A 49 27.157 9.279 16.650 1.00 0.00 C ATOM 0 H MET A 49 24.349 7.350 16.102 1.00 0.00 H new ATOM 0 HA MET A 49 24.677 9.829 14.847 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.709 7.005 13.733 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.112 8.417 12.777 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.547 7.278 15.163 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.159 7.538 13.541 1.00 0.00 H new ATOM 0 HE1 MET A 49 27.885 9.905 17.165 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.151 9.559 16.963 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.337 8.233 16.899 1.00 0.00 H new ATOM 741 N MET A 50 21.799 8.453 14.330 1.00 0.00 N ATOM 742 CA MET A 50 20.521 8.586 13.655 1.00 0.00 C ATOM 743 C MET A 50 19.701 9.632 14.400 1.00 0.00 C ATOM 744 O MET A 50 18.988 10.412 13.778 1.00 0.00 O ATOM 745 CB MET A 50 19.831 7.223 13.548 1.00 0.00 C ATOM 746 CG MET A 50 20.698 6.138 12.904 1.00 0.00 C ATOM 747 SD MET A 50 22.160 6.665 11.938 1.00 0.00 S ATOM 748 CE MET A 50 23.149 5.156 11.939 1.00 0.00 C ATOM 0 H MET A 50 21.784 7.825 15.133 1.00 0.00 H new ATOM 0 HA MET A 50 20.647 8.929 12.628 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.538 6.896 14.546 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.915 7.335 12.967 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.043 5.473 13.696 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.060 5.547 12.247 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.056 5.315 11.356 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.417 4.897 12.963 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.572 4.343 11.498 1.00 0.00 H new ATOM 758 N GLU A 51 19.881 9.745 15.712 1.00 0.00 N ATOM 759 CA GLU A 51 19.349 10.810 16.539 1.00 0.00 C ATOM 760 C GLU A 51 19.945 12.160 16.106 1.00 0.00 C ATOM 761 O GLU A 51 19.247 13.175 16.094 1.00 0.00 O ATOM 762 CB GLU A 51 19.669 10.471 18.008 1.00 0.00 C ATOM 763 CG GLU A 51 19.004 11.413 19.022 1.00 0.00 C ATOM 764 CD GLU A 51 17.473 11.251 19.066 1.00 0.00 C ATOM 765 OE1 GLU A 51 16.758 11.928 18.288 1.00 0.00 O ATOM 766 OE2 GLU A 51 16.972 10.463 19.904 1.00 0.00 O ATOM 0 H GLU A 51 20.425 9.066 16.245 1.00 0.00 H new ATOM 0 HA GLU A 51 18.268 10.896 16.425 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.350 9.449 18.213 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.749 10.503 18.151 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.414 11.222 20.013 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.249 12.444 18.769 1.00 0.00 H new ATOM 773 N GLU A 52 21.202 12.152 15.653 1.00 0.00 N ATOM 774 CA GLU A 52 21.905 13.278 15.047 1.00 0.00 C ATOM 775 C GLU A 52 21.173 13.805 13.793 1.00 0.00 C ATOM 776 O GLU A 52 21.449 14.926 13.364 1.00 0.00 O ATOM 777 CB GLU A 52 23.349 12.856 14.706 1.00 0.00 C ATOM 778 CG GLU A 52 24.320 12.809 15.901 1.00 0.00 C ATOM 779 CD GLU A 52 25.078 14.135 16.077 1.00 0.00 C ATOM 780 OE1 GLU A 52 24.500 15.104 16.626 1.00 0.00 O ATOM 781 OE2 GLU A 52 26.263 14.201 15.667 1.00 0.00 O ATOM 0 H GLU A 52 21.783 11.315 15.703 1.00 0.00 H new ATOM 0 HA GLU A 52 21.928 14.097 15.766 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.322 11.870 14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.746 13.547 13.963 1.00 0.00 H new ATOM 0 HG2 GLU A 52 23.764 12.585 16.812 1.00 0.00 H new ATOM 0 HG3 GLU A 52 25.035 11.999 15.756 1.00 0.00 H new ATOM 788 N VAL A 53 20.233 13.037 13.219 1.00 0.00 N ATOM 789 CA VAL A 53 19.418 13.394 12.066 1.00 0.00 C ATOM 790 C VAL A 53 17.915 13.129 12.324 1.00 0.00 C ATOM 791 O VAL A 53 17.109 13.199 11.392 1.00 0.00 O ATOM 792 CB VAL A 53 19.968 12.687 10.805 1.00 0.00 C ATOM 793 CG1 VAL A 53 21.308 13.295 10.356 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.141 11.166 10.926 1.00 0.00 C ATOM 0 H VAL A 53 20.017 12.104 13.571 1.00 0.00 H new ATOM 0 HA VAL A 53 19.487 14.468 11.890 1.00 0.00 H new ATOM 0 HB VAL A 53 19.191 12.858 10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 53 21.665 12.774 9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.169 14.351 10.126 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.041 13.191 11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.531 10.769 9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.838 10.942 11.734 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.177 10.706 11.141 1.00 0.00 H new ATOM 804 N GLY A 54 17.507 12.880 13.578 1.00 0.00 N ATOM 805 CA GLY A 54 16.108 12.715 13.964 1.00 0.00 C ATOM 806 C GLY A 54 15.460 11.438 13.411 1.00 0.00 C ATOM 807 O GLY A 54 14.316 11.489 12.952 1.00 0.00 O ATOM 0 H GLY A 54 18.155 12.787 14.360 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.040 12.704 15.052 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.541 13.579 13.617 1.00 0.00 H new ATOM 811 N ILE A 55 16.167 10.301 13.453 1.00 0.00 N ATOM 812 CA ILE A 55 15.685 8.979 13.057 1.00 0.00 C ATOM 813 C ILE A 55 15.888 8.029 14.251 1.00 0.00 C ATOM 814 O ILE A 55 16.772 8.246 15.084 1.00 0.00 O ATOM 815 CB ILE A 55 16.334 8.499 11.734 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.095 9.578 10.655 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.767 7.123 11.297 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.533 9.129 9.272 1.00 0.00 C ATOM 0 H ILE A 55 17.133 10.281 13.779 1.00 0.00 H new ATOM 0 HA ILE A 55 14.621 9.006 12.824 1.00 0.00 H new ATOM 0 HB ILE A 55 17.405 8.361 11.879 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.036 9.834 10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.636 10.484 10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.242 6.813 10.366 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.970 6.383 12.071 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.691 7.204 11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.342 9.926 8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.598 8.899 9.284 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.973 8.239 8.984 1.00 0.00 H new ATOM 830 N ASP A 56 15.094 6.955 14.316 1.00 0.00 N ATOM 831 CA ASP A 56 15.126 5.954 15.386 1.00 0.00 C ATOM 832 C ASP A 56 15.351 4.587 14.755 1.00 0.00 C ATOM 833 O ASP A 56 14.594 4.197 13.862 1.00 0.00 O ATOM 834 CB ASP A 56 13.805 5.967 16.168 1.00 0.00 C ATOM 835 CG ASP A 56 13.784 4.929 17.313 1.00 0.00 C ATOM 836 OD1 ASP A 56 13.794 3.705 17.039 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.725 5.349 18.492 1.00 0.00 O ATOM 0 H ASP A 56 14.391 6.753 13.605 1.00 0.00 H new ATOM 0 HA ASP A 56 15.932 6.181 16.083 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.641 6.962 16.581 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.980 5.766 15.485 1.00 0.00 H new ATOM 842 N ILE A 57 16.381 3.872 15.216 1.00 0.00 N ATOM 843 CA ILE A 57 16.664 2.488 14.838 1.00 0.00 C ATOM 844 C ILE A 57 16.860 1.578 16.059 1.00 0.00 C ATOM 845 O ILE A 57 17.235 0.419 15.917 1.00 0.00 O ATOM 846 CB ILE A 57 17.789 2.428 13.774 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.132 3.077 14.161 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.267 3.023 12.450 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.217 2.798 13.106 1.00 0.00 C ATOM 0 H ILE A 57 17.057 4.251 15.879 1.00 0.00 H new ATOM 0 HA ILE A 57 15.785 2.068 14.349 1.00 0.00 H new ATOM 0 HB ILE A 57 18.030 1.370 13.675 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.999 4.153 14.272 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.457 2.695 15.129 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.055 2.983 11.698 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.408 2.447 12.106 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.969 4.059 12.609 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.151 3.270 13.411 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.367 1.722 13.014 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.902 3.204 12.144 1.00 0.00 H new ATOM 861 N SER A 58 16.560 2.064 17.263 1.00 0.00 N ATOM 862 CA SER A 58 16.572 1.309 18.506 1.00 0.00 C ATOM 863 C SER A 58 15.307 0.459 18.672 1.00 0.00 C ATOM 864 O SER A 58 15.373 -0.615 19.272 1.00 0.00 O ATOM 865 CB SER A 58 16.699 2.280 19.690 1.00 0.00 C ATOM 866 OG SER A 58 16.684 3.653 19.290 1.00 0.00 O ATOM 0 H SER A 58 16.291 3.038 17.400 1.00 0.00 H new ATOM 0 HA SER A 58 17.425 0.631 18.478 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.881 2.102 20.388 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.626 2.073 20.225 1.00 0.00 H new ATOM 0 HG SER A 58 16.766 4.225 20.081 1.00 0.00 H new ATOM 872 N GLY A 59 14.169 0.908 18.126 1.00 0.00 N ATOM 873 CA GLY A 59 12.917 0.154 18.172 1.00 0.00 C ATOM 874 C GLY A 59 12.936 -1.079 17.262 1.00 0.00 C ATOM 875 O GLY A 59 12.049 -1.927 17.359 1.00 0.00 O ATOM 0 H GLY A 59 14.094 1.803 17.642 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.724 -0.160 19.198 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.094 0.805 17.877 1.00 0.00 H new ATOM 879 N GLN A 60 13.926 -1.176 16.369 1.00 0.00 N ATOM 880 CA GLN A 60 14.124 -2.297 15.474 1.00 0.00 C ATOM 881 C GLN A 60 14.732 -3.459 16.238 1.00 0.00 C ATOM 882 O GLN A 60 15.497 -3.245 17.181 1.00 0.00 O ATOM 883 CB GLN A 60 15.095 -1.899 14.367 1.00 0.00 C ATOM 884 CG GLN A 60 14.534 -0.771 13.508 1.00 0.00 C ATOM 885 CD GLN A 60 15.510 -0.432 12.393 1.00 0.00 C ATOM 886 OE1 GLN A 60 16.695 -0.295 12.635 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.082 -0.291 11.162 1.00 0.00 N ATOM 0 H GLN A 60 14.630 -0.447 16.253 1.00 0.00 H new ATOM 0 HA GLN A 60 13.162 -2.585 15.051 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.041 -1.586 14.808 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.307 -2.765 13.739 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.574 -1.068 13.085 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.352 0.110 14.124 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.091 -0.404 10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.740 -0.068 10.416 1.00 0.00 H new ATOM 896 N THR A 61 14.474 -4.674 15.764 1.00 0.00 N ATOM 897 CA THR A 61 14.933 -5.888 16.432 1.00 0.00 C ATOM 898 C THR A 61 15.189 -7.062 15.475 1.00 0.00 C ATOM 899 O THR A 61 14.846 -7.012 14.289 1.00 0.00 O ATOM 900 CB THR A 61 13.939 -6.301 17.548 1.00 0.00 C ATOM 901 OG1 THR A 61 12.587 -6.054 17.171 1.00 0.00 O ATOM 902 CG2 THR A 61 14.243 -5.555 18.851 1.00 0.00 C ATOM 0 H THR A 61 13.943 -4.845 14.910 1.00 0.00 H new ATOM 0 HA THR A 61 15.899 -5.644 16.874 1.00 0.00 H new ATOM 0 HB THR A 61 14.065 -7.373 17.703 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.989 -6.328 17.898 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.533 -5.861 19.619 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.256 -5.791 19.178 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.157 -4.481 18.684 1.00 0.00 H new ATOM 910 N SER A 62 15.829 -8.112 16.005 1.00 0.00 N ATOM 911 CA SER A 62 16.195 -9.330 15.301 1.00 0.00 C ATOM 912 C SER A 62 14.957 -10.097 14.832 1.00 0.00 C ATOM 913 O SER A 62 13.995 -10.254 15.591 1.00 0.00 O ATOM 914 CB SER A 62 16.997 -10.234 16.256 1.00 0.00 C ATOM 915 OG SER A 62 17.865 -9.483 17.091 1.00 0.00 O ATOM 0 H SER A 62 16.116 -8.128 16.984 1.00 0.00 H new ATOM 0 HA SER A 62 16.787 -9.056 14.427 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.309 -10.811 16.873 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.580 -10.949 15.675 1.00 0.00 H new ATOM 0 HG SER A 62 18.355 -10.090 17.684 1.00 0.00 H new ATOM 921 N ASP A 63 15.015 -10.627 13.607 1.00 0.00 N ATOM 922 CA ASP A 63 14.044 -11.572 13.051 1.00 0.00 C ATOM 923 C ASP A 63 14.754 -12.201 11.840 1.00 0.00 C ATOM 924 O ASP A 63 15.271 -11.444 11.009 1.00 0.00 O ATOM 925 CB ASP A 63 12.736 -10.851 12.677 1.00 0.00 C ATOM 926 CG ASP A 63 11.543 -11.815 12.557 1.00 0.00 C ATOM 927 OD1 ASP A 63 11.428 -12.762 13.371 1.00 0.00 O ATOM 928 OD2 ASP A 63 10.667 -11.585 11.692 1.00 0.00 O ATOM 0 H ASP A 63 15.765 -10.402 12.953 1.00 0.00 H new ATOM 0 HA ASP A 63 13.744 -12.342 13.762 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.514 -10.095 13.431 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.872 -10.327 11.731 1.00 0.00 H new ATOM 933 N PRO A 64 14.913 -13.534 11.749 1.00 0.00 N ATOM 934 CA PRO A 64 15.781 -14.158 10.748 1.00 0.00 C ATOM 935 C PRO A 64 15.174 -14.171 9.344 1.00 0.00 C ATOM 936 O PRO A 64 13.960 -14.300 9.183 1.00 0.00 O ATOM 937 CB PRO A 64 16.047 -15.575 11.269 1.00 0.00 C ATOM 938 CG PRO A 64 14.803 -15.896 12.097 1.00 0.00 C ATOM 939 CD PRO A 64 14.407 -14.537 12.675 1.00 0.00 C ATOM 0 HA PRO A 64 16.701 -13.586 10.629 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.178 -16.284 10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.952 -15.616 11.874 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.008 -16.319 11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 64 15.018 -16.620 12.883 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.325 -14.459 12.778 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.833 -14.398 13.669 1.00 0.00 H new ATOM 947 N ILE A 65 16.045 -14.133 8.327 1.00 0.00 N ATOM 948 CA ILE A 65 15.696 -14.115 6.898 1.00 0.00 C ATOM 949 C ILE A 65 14.817 -15.307 6.524 1.00 0.00 C ATOM 950 O ILE A 65 13.904 -15.189 5.711 1.00 0.00 O ATOM 951 CB ILE A 65 16.993 -14.058 6.046 1.00 0.00 C ATOM 952 CG1 ILE A 65 16.677 -13.876 4.543 1.00 0.00 C ATOM 953 CG2 ILE A 65 17.918 -15.275 6.283 1.00 0.00 C ATOM 954 CD1 ILE A 65 17.912 -13.831 3.632 1.00 0.00 C ATOM 0 H ILE A 65 17.053 -14.113 8.482 1.00 0.00 H new ATOM 0 HA ILE A 65 15.108 -13.221 6.688 1.00 0.00 H new ATOM 0 HB ILE A 65 17.543 -13.179 6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.032 -14.693 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.112 -12.953 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 65 18.809 -15.182 5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 65 18.210 -15.311 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.388 -16.191 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.596 -13.701 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.549 -12.997 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.469 -14.763 3.727 1.00 0.00 H new ATOM 966 N GLU A 66 15.068 -16.454 7.151 1.00 0.00 N ATOM 967 CA GLU A 66 14.404 -17.704 6.820 1.00 0.00 C ATOM 968 C GLU A 66 12.922 -17.689 7.200 1.00 0.00 C ATOM 969 O GLU A 66 12.140 -18.459 6.638 1.00 0.00 O ATOM 970 CB GLU A 66 15.144 -18.846 7.533 1.00 0.00 C ATOM 971 CG GLU A 66 16.447 -19.261 6.838 1.00 0.00 C ATOM 972 CD GLU A 66 16.194 -19.940 5.479 1.00 0.00 C ATOM 973 OE1 GLU A 66 15.894 -21.159 5.454 1.00 0.00 O ATOM 974 OE2 GLU A 66 16.305 -19.268 4.426 1.00 0.00 O ATOM 0 H GLU A 66 15.745 -16.538 7.909 1.00 0.00 H new ATOM 0 HA GLU A 66 14.439 -17.849 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.368 -18.540 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.484 -19.711 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.074 -18.381 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.000 -19.942 7.485 1.00 0.00 H new ATOM 981 N ASN A 67 12.522 -16.814 8.131 1.00 0.00 N ATOM 982 CA ASN A 67 11.128 -16.606 8.485 1.00 0.00 C ATOM 983 C ASN A 67 10.435 -15.614 7.537 1.00 0.00 C ATOM 984 O ASN A 67 9.206 -15.511 7.579 1.00 0.00 O ATOM 985 CB ASN A 67 10.985 -16.234 9.973 1.00 0.00 C ATOM 986 CG ASN A 67 10.446 -14.828 10.232 1.00 0.00 C ATOM 987 OD1 ASN A 67 9.283 -14.651 10.594 1.00 0.00 O ATOM 988 ND2 ASN A 67 11.279 -13.815 10.091 1.00 0.00 N ATOM 0 H ASN A 67 13.169 -16.229 8.660 1.00 0.00 H new ATOM 0 HA ASN A 67 10.600 -17.550 8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.323 -16.956 10.452 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.959 -16.329 10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.963 -12.864 10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.239 -13.982 9.790 1.00 0.00 H new ATOM 995 N PHE A 68 11.182 -14.911 6.676 1.00 0.00 N ATOM 996 CA PHE A 68 10.627 -14.001 5.685 1.00 0.00 C ATOM 997 C PHE A 68 10.409 -14.727 4.357 1.00 0.00 C ATOM 998 O PHE A 68 10.859 -15.857 4.150 1.00 0.00 O ATOM 999 CB PHE A 68 11.503 -12.747 5.528 1.00 0.00 C ATOM 1000 CG PHE A 68 11.359 -11.805 6.702 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.267 -10.921 6.763 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.276 -11.852 7.762 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.111 -10.064 7.866 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.108 -11.010 8.873 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.038 -10.101 8.918 1.00 0.00 C ATOM 0 H PHE A 68 12.200 -14.964 6.654 1.00 0.00 H new ATOM 0 HA PHE A 68 9.653 -13.658 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.547 -13.044 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.230 -12.227 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.546 -10.901 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.111 -12.536 7.724 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.278 -9.378 7.904 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.805 -11.061 9.697 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.929 -9.433 9.760 1.00 0.00 H new ATOM 1015 N ASN A 69 9.688 -14.061 3.456 1.00 0.00 N ATOM 1016 CA ASN A 69 9.211 -14.592 2.206 1.00 0.00 C ATOM 1017 C ASN A 69 9.269 -13.398 1.270 1.00 0.00 C ATOM 1018 O ASN A 69 8.341 -12.587 1.278 1.00 0.00 O ATOM 1019 CB ASN A 69 7.785 -15.104 2.450 1.00 0.00 C ATOM 1020 CG ASN A 69 7.061 -15.512 1.182 1.00 0.00 C ATOM 1021 OD1 ASN A 69 6.890 -16.685 0.860 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.532 -14.511 0.527 1.00 0.00 N ATOM 0 H ASN A 69 9.414 -13.089 3.597 1.00 0.00 H new ATOM 0 HA ASN A 69 9.778 -15.425 1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.825 -15.958 3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.210 -14.326 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.948 -14.688 -0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.703 -13.553 0.834 1.00 0.00 H new ATOM 1029 N ALA A 70 10.396 -13.184 0.582 1.00 0.00 N ATOM 1030 CA ALA A 70 10.529 -12.098 -0.373 1.00 0.00 C ATOM 1031 C ALA A 70 9.405 -12.055 -1.399 1.00 0.00 C ATOM 1032 O ALA A 70 9.138 -10.993 -1.947 1.00 0.00 O ATOM 1033 CB ALA A 70 11.817 -12.237 -1.155 1.00 0.00 C ATOM 0 H ALA A 70 11.233 -13.760 0.676 1.00 0.00 H new ATOM 0 HA ALA A 70 10.505 -11.187 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.901 -11.415 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.664 -12.211 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.815 -13.185 -1.694 1.00 0.00 H new ATOM 1039 N ASP A 71 8.758 -13.184 -1.663 1.00 0.00 N ATOM 1040 CA ASP A 71 7.580 -13.242 -2.514 1.00 0.00 C ATOM 1041 C ASP A 71 6.483 -12.272 -2.029 1.00 0.00 C ATOM 1042 O ASP A 71 5.640 -11.841 -2.818 1.00 0.00 O ATOM 1043 CB ASP A 71 7.088 -14.691 -2.665 1.00 0.00 C ATOM 1044 CG ASP A 71 5.561 -14.786 -2.802 1.00 0.00 C ATOM 1045 OD1 ASP A 71 4.883 -14.848 -1.749 1.00 0.00 O ATOM 1046 OD2 ASP A 71 5.052 -14.836 -3.946 1.00 0.00 O ATOM 0 H ASP A 71 9.040 -14.090 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 71 7.855 -12.901 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.556 -15.140 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.408 -15.271 -1.800 1.00 0.00 H new ATOM 1051 N ASP A 72 6.539 -11.863 -0.760 1.00 0.00 N ATOM 1052 CA ASP A 72 5.620 -10.945 -0.109 1.00 0.00 C ATOM 1053 C ASP A 72 6.250 -9.559 0.136 1.00 0.00 C ATOM 1054 O ASP A 72 5.685 -8.756 0.877 1.00 0.00 O ATOM 1055 CB ASP A 72 5.087 -11.585 1.182 1.00 0.00 C ATOM 1056 CG ASP A 72 3.896 -10.806 1.761 1.00 0.00 C ATOM 1057 OD1 ASP A 72 2.908 -10.552 1.029 1.00 0.00 O ATOM 1058 OD2 ASP A 72 3.904 -10.493 2.976 1.00 0.00 O ATOM 0 H ASP A 72 7.272 -12.186 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 72 4.778 -10.764 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.784 -12.612 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.886 -11.628 1.922 1.00 0.00 H new ATOM 1063 N TYR A 73 7.395 -9.235 -0.482 1.00 0.00 N ATOM 1064 CA TYR A 73 7.994 -7.911 -0.442 1.00 0.00 C ATOM 1065 C TYR A 73 8.440 -7.540 -1.843 1.00 0.00 C ATOM 1066 O TYR A 73 9.400 -8.114 -2.349 1.00 0.00 O ATOM 1067 CB TYR A 73 9.150 -7.786 0.554 1.00 0.00 C ATOM 1068 CG TYR A 73 8.780 -8.200 1.957 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.723 -9.566 2.257 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.397 -7.248 2.918 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.211 -10.009 3.483 1.00 0.00 C ATOM 1072 CE2 TYR A 73 7.916 -7.675 4.170 1.00 0.00 C ATOM 1073 CZ TYR A 73 7.799 -9.061 4.451 1.00 0.00 C ATOM 1074 OH TYR A 73 7.274 -9.491 5.635 1.00 0.00 O ATOM 0 H TYR A 73 7.934 -9.905 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 73 7.235 -7.215 -0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.984 -8.398 0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.498 -6.753 0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.078 -10.286 1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.472 -6.194 2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.131 -11.066 3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.636 -6.947 4.917 1.00 0.00 H new ATOM 0 HH TYR A 73 8.001 -9.722 6.251 1.00 0.00 H new ATOM 1084 N ASP A 74 7.744 -6.592 -2.478 1.00 0.00 N ATOM 1085 CA ASP A 74 7.930 -6.286 -3.898 1.00 0.00 C ATOM 1086 C ASP A 74 9.349 -5.821 -4.234 1.00 0.00 C ATOM 1087 O ASP A 74 9.703 -5.766 -5.407 1.00 0.00 O ATOM 1088 CB ASP A 74 6.960 -5.179 -4.345 1.00 0.00 C ATOM 1089 CG ASP A 74 5.499 -5.459 -3.974 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.117 -5.109 -2.830 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.750 -6.017 -4.811 1.00 0.00 O ATOM 0 H ASP A 74 7.037 -6.016 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 74 7.736 -7.220 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.266 -4.235 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.035 -5.056 -5.425 1.00 0.00 H new ATOM 1096 N VAL A 75 10.161 -5.426 -3.258 1.00 0.00 N ATOM 1097 CA VAL A 75 11.454 -4.787 -3.461 1.00 0.00 C ATOM 1098 C VAL A 75 12.338 -5.304 -2.327 1.00 0.00 C ATOM 1099 O VAL A 75 11.993 -5.121 -1.159 1.00 0.00 O ATOM 1100 CB VAL A 75 11.199 -3.271 -3.435 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.380 -2.322 -3.176 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.406 -2.743 -4.641 1.00 0.00 C ATOM 0 H VAL A 75 9.928 -5.547 -2.272 1.00 0.00 H new ATOM 0 HA VAL A 75 11.953 -5.006 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 75 10.599 -3.235 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.028 -1.291 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.817 -2.542 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.134 -2.459 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.270 -1.666 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.953 -2.959 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.431 -3.230 -4.677 1.00 0.00 H new ATOM 1112 N VAL A 76 13.465 -5.957 -2.605 1.00 0.00 N ATOM 1113 CA VAL A 76 14.271 -6.543 -1.550 1.00 0.00 C ATOM 1114 C VAL A 76 15.712 -6.120 -1.743 1.00 0.00 C ATOM 1115 O VAL A 76 16.254 -6.180 -2.849 1.00 0.00 O ATOM 1116 CB VAL A 76 14.085 -8.070 -1.500 1.00 0.00 C ATOM 1117 CG1 VAL A 76 12.685 -8.442 -0.995 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.315 -8.799 -2.828 1.00 0.00 C ATOM 0 H VAL A 76 13.834 -6.090 -3.547 1.00 0.00 H new ATOM 0 HA VAL A 76 13.945 -6.177 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 76 14.861 -8.401 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.583 -9.527 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.542 -8.041 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.934 -8.022 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.160 -9.869 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.614 -8.426 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.335 -8.622 -3.168 1.00 0.00 H new ATOM 1128 N ILE A 77 16.312 -5.666 -0.649 1.00 0.00 N ATOM 1129 CA ILE A 77 17.607 -5.044 -0.639 1.00 0.00 C ATOM 1130 C ILE A 77 18.402 -5.834 0.366 1.00 0.00 C ATOM 1131 O ILE A 77 18.264 -5.681 1.578 1.00 0.00 O ATOM 1132 CB ILE A 77 17.507 -3.553 -0.285 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.458 -2.801 -1.130 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.893 -2.907 -0.437 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.731 -2.801 -2.642 1.00 0.00 C ATOM 0 H ILE A 77 15.889 -5.728 0.277 1.00 0.00 H new ATOM 0 HA ILE A 77 18.088 -5.058 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 77 17.169 -3.479 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.480 -3.247 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.405 -1.769 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.830 -1.848 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.598 -3.397 0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.235 -3.017 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.942 -2.250 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.692 -2.326 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.752 -3.828 -3.008 1.00 0.00 H new ATOM 1147 N SER A 78 19.169 -6.775 -0.147 1.00 0.00 N ATOM 1148 CA SER A 78 20.140 -7.439 0.673 1.00 0.00 C ATOM 1149 C SER A 78 21.271 -6.428 0.930 1.00 0.00 C ATOM 1150 O SER A 78 21.352 -5.383 0.279 1.00 0.00 O ATOM 1151 CB SER A 78 20.483 -8.744 -0.038 1.00 0.00 C ATOM 1152 OG SER A 78 21.502 -9.460 0.617 1.00 0.00 O ATOM 0 H SER A 78 19.134 -7.089 -1.117 1.00 0.00 H new ATOM 0 HA SER A 78 19.817 -7.741 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.590 -9.365 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.794 -8.527 -1.060 1.00 0.00 H new ATOM 0 HG SER A 78 22.366 -9.251 0.204 1.00 0.00 H new ATOM 1158 N LEU A 79 22.136 -6.684 1.906 1.00 0.00 N ATOM 1159 CA LEU A 79 23.369 -5.919 2.118 1.00 0.00 C ATOM 1160 C LEU A 79 24.442 -6.916 2.563 1.00 0.00 C ATOM 1161 O LEU A 79 25.226 -6.659 3.478 1.00 0.00 O ATOM 1162 CB LEU A 79 23.203 -4.746 3.113 1.00 0.00 C ATOM 1163 CG LEU A 79 22.303 -3.579 2.644 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.813 -3.719 2.997 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.789 -2.245 3.232 1.00 0.00 C ATOM 0 H LEU A 79 22.003 -7.436 2.582 1.00 0.00 H new ATOM 0 HA LEU A 79 23.660 -5.430 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.796 -5.141 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.191 -4.347 3.341 1.00 0.00 H new ATOM 0 HG LEU A 79 22.387 -3.606 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.268 -2.851 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.413 -4.623 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.700 -3.782 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.141 -1.438 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.760 -2.295 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.811 -2.054 2.905 1.00 0.00 H new ATOM 1177 N CYS A 80 24.409 -8.109 1.965 1.00 0.00 N ATOM 1178 CA CYS A 80 25.191 -9.261 2.380 1.00 0.00 C ATOM 1179 C CYS A 80 26.482 -9.382 1.561 1.00 0.00 C ATOM 1180 O CYS A 80 27.215 -10.355 1.726 1.00 0.00 O ATOM 1181 CB CYS A 80 24.315 -10.522 2.281 1.00 0.00 C ATOM 1182 SG CYS A 80 22.833 -10.370 3.329 1.00 0.00 S ATOM 0 H CYS A 80 23.818 -8.299 1.156 1.00 0.00 H new ATOM 0 HA CYS A 80 25.503 -9.137 3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.017 -10.682 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 80 24.892 -11.395 2.585 1.00 0.00 H new ATOM 0 HG CYS A 80 21.831 -9.962 2.608 1.00 0.00 H new ATOM 1188 N GLY A 81 26.767 -8.418 0.678 1.00 0.00 N ATOM 1189 CA GLY A 81 27.992 -8.386 -0.114 1.00 0.00 C ATOM 1190 C GLY A 81 27.758 -8.928 -1.519 1.00 0.00 C ATOM 1191 O GLY A 81 28.706 -9.351 -2.179 1.00 0.00 O ATOM 0 H GLY A 81 26.144 -7.632 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.362 -7.363 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.763 -8.975 0.382 1.00 0.00 H new ATOM 1195 N CYS A 82 26.494 -8.930 -1.958 1.00 0.00 N ATOM 1196 CA CYS A 82 26.025 -9.469 -3.238 1.00 0.00 C ATOM 1197 C CYS A 82 26.608 -10.868 -3.534 1.00 0.00 C ATOM 1198 O CYS A 82 26.993 -11.166 -4.667 1.00 0.00 O ATOM 1199 CB CYS A 82 26.289 -8.422 -4.333 1.00 0.00 C ATOM 1200 SG CYS A 82 25.217 -8.680 -5.778 1.00 0.00 S ATOM 0 H CYS A 82 25.734 -8.536 -1.403 1.00 0.00 H new ATOM 0 HA CYS A 82 24.950 -9.645 -3.200 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.123 -7.423 -3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.334 -8.472 -4.641 1.00 0.00 H new ATOM 0 HG CYS A 82 25.472 -7.774 -6.675 1.00 0.00 H new ATOM 1206 N GLY A 83 26.698 -11.717 -2.503 1.00 0.00 N ATOM 1207 CA GLY A 83 27.374 -13.010 -2.573 1.00 0.00 C ATOM 1208 C GLY A 83 26.753 -14.026 -1.620 1.00 0.00 C ATOM 1209 O GLY A 83 27.468 -14.863 -1.067 1.00 0.00 O ATOM 0 H GLY A 83 26.297 -11.519 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.325 -13.391 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.429 -12.882 -2.331 1.00 0.00 H new ATOM 1213 N VAL A 84 25.433 -13.943 -1.410 1.00 0.00 N ATOM 1214 CA VAL A 84 24.658 -14.849 -0.575 1.00 0.00 C ATOM 1215 C VAL A 84 23.574 -15.470 -1.449 1.00 0.00 C ATOM 1216 O VAL A 84 22.954 -14.789 -2.269 1.00 0.00 O ATOM 1217 CB VAL A 84 24.139 -14.110 0.676 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.270 -14.988 1.590 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.360 -13.620 1.465 1.00 0.00 C ATOM 0 H VAL A 84 24.861 -13.214 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 84 25.263 -15.665 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 84 23.503 -13.290 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.940 -14.404 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.400 -15.341 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.852 -15.843 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 84 25.028 -13.092 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.972 -14.474 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.949 -12.946 0.843 1.00 0.00 H new ATOM 1229 N ASN A 85 23.379 -16.783 -1.296 1.00 0.00 N ATOM 1230 CA ASN A 85 22.504 -17.585 -2.142 1.00 0.00 C ATOM 1231 C ASN A 85 21.054 -17.450 -1.666 1.00 0.00 C ATOM 1232 O ASN A 85 20.484 -18.378 -1.086 1.00 0.00 O ATOM 1233 CB ASN A 85 23.000 -19.038 -2.172 1.00 0.00 C ATOM 1234 CG ASN A 85 22.353 -19.788 -3.330 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.464 -20.616 -3.154 1.00 0.00 O ATOM 1236 ND2 ASN A 85 22.788 -19.493 -4.546 1.00 0.00 N ATOM 0 H ASN A 85 23.837 -17.325 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 85 22.531 -17.222 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 85 24.085 -19.058 -2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.761 -19.532 -1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.383 -19.957 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.528 -18.802 -4.669 1.00 0.00 H new ATOM 1243 N LEU A 86 20.487 -16.250 -1.824 1.00 0.00 N ATOM 1244 CA LEU A 86 19.097 -15.977 -1.465 1.00 0.00 C ATOM 1245 C LEU A 86 18.187 -16.928 -2.266 1.00 0.00 C ATOM 1246 O LEU A 86 18.480 -17.174 -3.444 1.00 0.00 O ATOM 1247 CB LEU A 86 18.699 -14.521 -1.771 1.00 0.00 C ATOM 1248 CG LEU A 86 19.635 -13.409 -1.261 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.047 -12.042 -1.623 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.874 -13.450 0.253 1.00 0.00 C ATOM 0 H LEU A 86 20.981 -15.443 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 86 18.983 -16.134 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.609 -14.416 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.709 -14.347 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 86 20.598 -13.575 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.709 -11.254 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.946 -11.964 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.067 -11.933 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.542 -12.637 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.923 -13.338 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.326 -14.404 0.524 1.00 0.00 H new ATOM 1262 N PRO A 87 17.090 -17.445 -1.679 1.00 0.00 N ATOM 1263 CA PRO A 87 16.087 -18.210 -2.414 1.00 0.00 C ATOM 1264 C PRO A 87 15.576 -17.441 -3.642 1.00 0.00 C ATOM 1265 O PRO A 87 15.536 -16.211 -3.606 1.00 0.00 O ATOM 1266 CB PRO A 87 14.945 -18.462 -1.430 1.00 0.00 C ATOM 1267 CG PRO A 87 15.569 -18.294 -0.045 1.00 0.00 C ATOM 1268 CD PRO A 87 16.760 -17.362 -0.266 1.00 0.00 C ATOM 0 HA PRO A 87 16.512 -19.140 -2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.129 -17.755 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.529 -19.461 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.857 -17.866 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.887 -19.253 0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.510 -16.339 0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.608 -17.663 0.349 1.00 0.00 H new ATOM 1276 N PRO A 88 15.086 -18.114 -4.694 1.00 0.00 N ATOM 1277 CA PRO A 88 14.790 -17.448 -5.959 1.00 0.00 C ATOM 1278 C PRO A 88 13.644 -16.432 -5.887 1.00 0.00 C ATOM 1279 O PRO A 88 13.567 -15.540 -6.732 1.00 0.00 O ATOM 1280 CB PRO A 88 14.522 -18.568 -6.971 1.00 0.00 C ATOM 1281 CG PRO A 88 14.107 -19.754 -6.097 1.00 0.00 C ATOM 1282 CD PRO A 88 14.929 -19.555 -4.823 1.00 0.00 C ATOM 0 HA PRO A 88 15.637 -16.831 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.735 -18.293 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.410 -18.796 -7.560 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.037 -19.747 -5.891 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.333 -20.706 -6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.420 -19.975 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.896 -20.052 -4.896 1.00 0.00 H new ATOM 1290 N GLU A 89 12.780 -16.499 -4.871 1.00 0.00 N ATOM 1291 CA GLU A 89 11.725 -15.518 -4.665 1.00 0.00 C ATOM 1292 C GLU A 89 12.311 -14.136 -4.380 1.00 0.00 C ATOM 1293 O GLU A 89 11.709 -13.121 -4.707 1.00 0.00 O ATOM 1294 CB GLU A 89 10.775 -15.962 -3.546 1.00 0.00 C ATOM 1295 CG GLU A 89 11.449 -16.352 -2.227 1.00 0.00 C ATOM 1296 CD GLU A 89 10.398 -16.681 -1.157 1.00 0.00 C ATOM 1297 OE1 GLU A 89 9.764 -15.726 -0.652 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.225 -17.878 -0.819 1.00 0.00 O ATOM 0 H GLU A 89 12.797 -17.239 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 89 11.144 -15.448 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.070 -15.154 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.194 -16.812 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.097 -17.214 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.084 -15.536 -1.882 1.00 0.00 H new ATOM 1305 N TRP A 90 13.519 -14.070 -3.826 1.00 0.00 N ATOM 1306 CA TRP A 90 14.221 -12.816 -3.616 1.00 0.00 C ATOM 1307 C TRP A 90 14.651 -12.152 -4.931 1.00 0.00 C ATOM 1308 O TRP A 90 15.138 -11.030 -4.881 1.00 0.00 O ATOM 1309 CB TRP A 90 15.407 -13.043 -2.663 1.00 0.00 C ATOM 1310 CG TRP A 90 15.060 -13.393 -1.239 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.667 -14.605 -0.787 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.027 -12.526 -0.061 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.388 -14.546 0.566 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.560 -13.273 1.058 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.244 -11.151 0.146 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.328 -12.692 2.311 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.013 -10.542 1.397 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.560 -11.318 2.482 1.00 0.00 C ATOM 0 H TRP A 90 14.037 -14.890 -3.510 1.00 0.00 H new ATOM 0 HA TRP A 90 13.530 -12.112 -3.151 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.026 -13.842 -3.071 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.017 -12.140 -2.655 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.583 -15.493 -1.396 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.092 -15.345 1.128 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.597 -10.546 -0.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 13.975 -13.294 3.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.183 -9.483 1.523 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.391 -10.857 3.444 1.00 0.00 H new ATOM 1329 N VAL A 91 14.454 -12.781 -6.094 1.00 0.00 N ATOM 1330 CA VAL A 91 14.929 -12.294 -7.380 1.00 0.00 C ATOM 1331 C VAL A 91 13.762 -11.793 -8.245 1.00 0.00 C ATOM 1332 O VAL A 91 13.944 -10.882 -9.055 1.00 0.00 O ATOM 1333 CB VAL A 91 15.752 -13.393 -8.065 1.00 0.00 C ATOM 1334 CG1 VAL A 91 16.403 -12.943 -9.382 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.846 -13.982 -7.152 1.00 0.00 C ATOM 0 H VAL A 91 13.947 -13.663 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 91 15.581 -11.434 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 91 15.017 -14.166 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.968 -13.771 -9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.628 -12.632 -10.083 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.075 -12.107 -9.189 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.394 -14.754 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 91 17.534 -13.192 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.385 -14.417 -6.266 1.00 0.00 H new ATOM 1345 N THR A 92 12.560 -12.347 -8.071 1.00 0.00 N ATOM 1346 CA THR A 92 11.417 -12.121 -8.963 1.00 0.00 C ATOM 1347 C THR A 92 10.732 -10.758 -8.753 1.00 0.00 C ATOM 1348 O THR A 92 9.972 -10.291 -9.605 1.00 0.00 O ATOM 1349 CB THR A 92 10.439 -13.291 -8.767 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.221 -13.525 -7.384 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.051 -14.567 -9.342 1.00 0.00 C ATOM 0 H THR A 92 12.349 -12.975 -7.295 1.00 0.00 H new ATOM 0 HA THR A 92 11.774 -12.086 -9.992 1.00 0.00 H new ATOM 0 HB THR A 92 9.503 -13.038 -9.265 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.595 -14.271 -7.273 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.358 -15.397 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.245 -14.430 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.987 -14.786 -8.828 1.00 0.00 H new ATOM 1359 N GLN A 93 11.010 -10.124 -7.616 1.00 0.00 N ATOM 1360 CA GLN A 93 10.583 -8.821 -7.167 1.00 0.00 C ATOM 1361 C GLN A 93 10.866 -7.693 -8.169 1.00 0.00 C ATOM 1362 O GLN A 93 11.708 -7.817 -9.063 1.00 0.00 O ATOM 1363 CB GLN A 93 11.332 -8.633 -5.836 1.00 0.00 C ATOM 1364 CG GLN A 93 10.990 -9.647 -4.734 1.00 0.00 C ATOM 1365 CD GLN A 93 9.574 -10.229 -4.846 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.555 -9.540 -4.861 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.503 -11.527 -5.082 1.00 0.00 N ATOM 0 H GLN A 93 11.606 -10.569 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 93 9.500 -8.769 -7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.403 -8.684 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.124 -7.631 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.712 -10.463 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.099 -9.165 -3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.350 -12.095 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.601 -11.961 -5.278 1.00 0.00 H new ATOM 1376 N GLU A 94 10.160 -6.570 -7.994 1.00 0.00 N ATOM 1377 CA GLU A 94 10.308 -5.364 -8.779 1.00 0.00 C ATOM 1378 C GLU A 94 11.725 -4.825 -8.589 1.00 0.00 C ATOM 1379 O GLU A 94 12.353 -4.409 -9.565 1.00 0.00 O ATOM 1380 CB GLU A 94 9.206 -4.372 -8.360 1.00 0.00 C ATOM 1381 CG GLU A 94 9.557 -2.893 -8.508 1.00 0.00 C ATOM 1382 CD GLU A 94 9.840 -2.434 -9.955 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.356 -3.073 -10.923 1.00 0.00 O ATOM 1384 OE2 GLU A 94 10.515 -1.391 -10.133 1.00 0.00 O ATOM 0 H GLU A 94 9.446 -6.485 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 94 10.183 -5.549 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.314 -4.576 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.947 -4.563 -7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.736 -2.298 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.434 -2.680 -7.896 1.00 0.00 H new ATOM 1391 N ILE A 95 12.252 -4.905 -7.360 1.00 0.00 N ATOM 1392 CA ILE A 95 13.653 -4.633 -7.094 1.00 0.00 C ATOM 1393 C ILE A 95 14.246 -5.825 -6.361 1.00 0.00 C ATOM 1394 O ILE A 95 13.645 -6.366 -5.433 1.00 0.00 O ATOM 1395 CB ILE A 95 13.860 -3.362 -6.245 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.472 -2.049 -6.935 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.315 -3.218 -5.765 1.00 0.00 C ATOM 1398 CD1 ILE A 95 14.270 -1.667 -8.191 1.00 0.00 C ATOM 0 H ILE A 95 11.714 -5.160 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 95 14.149 -4.467 -8.050 1.00 0.00 H new ATOM 0 HB ILE A 95 13.180 -3.515 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.418 -2.106 -7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.572 -1.241 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.414 -2.309 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.584 -4.081 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.979 -3.162 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.899 -0.720 -8.584 1.00 0.00 H new ATOM 0 HD12 ILE A 95 15.325 -1.566 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.153 -2.444 -8.947 1.00 0.00 H new ATOM 1410 N PHE A 96 15.453 -6.185 -6.767 1.00 0.00 N ATOM 1411 CA PHE A 96 16.311 -7.097 -6.057 1.00 0.00 C ATOM 1412 C PHE A 96 17.664 -6.430 -6.229 1.00 0.00 C ATOM 1413 O PHE A 96 18.172 -6.321 -7.348 1.00 0.00 O ATOM 1414 CB PHE A 96 16.339 -8.532 -6.587 1.00 0.00 C ATOM 1415 CG PHE A 96 17.525 -9.314 -6.015 1.00 0.00 C ATOM 1416 CD1 PHE A 96 17.949 -9.110 -4.681 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.302 -10.135 -6.856 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.155 -9.658 -4.218 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.485 -10.728 -6.373 1.00 0.00 C ATOM 1420 CZ PHE A 96 19.918 -10.483 -5.059 1.00 0.00 C ATOM 0 H PHE A 96 15.869 -5.834 -7.630 1.00 0.00 H new ATOM 0 HA PHE A 96 15.974 -7.242 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.409 -9.036 -6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.400 -8.519 -7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.337 -8.525 -4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.989 -10.310 -7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.496 -9.445 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.063 -11.375 -7.017 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.834 -10.927 -4.698 1.00 0.00 H new ATOM 1430 N GLU A 97 18.209 -5.938 -5.129 1.00 0.00 N ATOM 1431 CA GLU A 97 19.531 -5.353 -5.086 1.00 0.00 C ATOM 1432 C GLU A 97 20.230 -5.906 -3.851 1.00 0.00 C ATOM 1433 O GLU A 97 19.618 -6.514 -2.968 1.00 0.00 O ATOM 1434 CB GLU A 97 19.445 -3.814 -5.071 1.00 0.00 C ATOM 1435 CG GLU A 97 19.150 -3.218 -6.454 1.00 0.00 C ATOM 1436 CD GLU A 97 19.029 -1.684 -6.417 1.00 0.00 C ATOM 1437 OE1 GLU A 97 20.028 -0.999 -6.099 1.00 0.00 O ATOM 1438 OE2 GLU A 97 17.947 -1.148 -6.756 1.00 0.00 O ATOM 0 H GLU A 97 17.733 -5.936 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 97 20.105 -5.613 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.665 -3.506 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.385 -3.406 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.944 -3.501 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.224 -3.644 -6.840 1.00 0.00 H new ATOM 1445 N ASP A 98 21.534 -5.671 -3.798 1.00 0.00 N ATOM 1446 CA ASP A 98 22.359 -5.949 -2.640 1.00 0.00 C ATOM 1447 C ASP A 98 23.323 -4.789 -2.494 1.00 0.00 C ATOM 1448 O ASP A 98 24.254 -4.627 -3.293 1.00 0.00 O ATOM 1449 CB ASP A 98 23.092 -7.282 -2.712 1.00 0.00 C ATOM 1450 CG ASP A 98 23.826 -7.571 -1.390 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.780 -6.861 -1.007 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.509 -8.583 -0.733 1.00 0.00 O ATOM 0 H ASP A 98 22.055 -5.273 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 98 21.719 -6.045 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.382 -8.082 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.807 -7.266 -3.535 1.00 0.00 H new ATOM 1457 N TRP A 99 23.059 -3.924 -1.522 1.00 0.00 N ATOM 1458 CA TRP A 99 23.920 -2.791 -1.240 1.00 0.00 C ATOM 1459 C TRP A 99 25.037 -3.302 -0.347 1.00 0.00 C ATOM 1460 O TRP A 99 25.011 -3.139 0.868 1.00 0.00 O ATOM 1461 CB TRP A 99 23.129 -1.592 -0.704 1.00 0.00 C ATOM 1462 CG TRP A 99 22.019 -1.121 -1.596 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.882 -1.353 -2.923 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.859 -0.328 -1.222 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.697 -0.817 -3.374 1.00 0.00 N ATOM 1466 CE2 TRP A 99 20.002 -0.208 -2.356 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.448 0.295 -0.025 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.754 0.419 -2.280 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.220 0.972 0.043 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.357 0.989 -1.063 1.00 0.00 C ATOM 0 H TRP A 99 22.245 -3.991 -0.912 1.00 0.00 H new ATOM 0 HA TRP A 99 24.374 -2.383 -2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.709 -1.856 0.266 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.819 -0.764 -0.538 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.597 -1.881 -3.537 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.375 -0.865 -4.341 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.084 0.251 0.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 18.108 0.463 -3.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.938 1.483 0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.381 1.444 -0.976 1.00 0.00 H new ATOM 1481 N GLN A 100 25.985 -3.972 -1.000 1.00 0.00 N ATOM 1482 CA GLN A 100 27.290 -4.474 -0.571 1.00 0.00 C ATOM 1483 C GLN A 100 28.206 -3.386 0.051 1.00 0.00 C ATOM 1484 O GLN A 100 29.387 -3.282 -0.292 1.00 0.00 O ATOM 1485 CB GLN A 100 27.934 -5.099 -1.819 1.00 0.00 C ATOM 1486 CG GLN A 100 28.075 -4.172 -3.053 1.00 0.00 C ATOM 1487 CD GLN A 100 27.919 -4.938 -4.367 1.00 0.00 C ATOM 1488 OE1 GLN A 100 28.897 -5.394 -4.956 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.695 -5.103 -4.858 1.00 0.00 N ATOM 0 H GLN A 100 25.833 -4.208 -1.981 1.00 0.00 H new ATOM 0 HA GLN A 100 27.157 -5.200 0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.925 -5.462 -1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.345 -5.969 -2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 100 27.324 -3.384 -3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.050 -3.685 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.890 -4.721 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.560 -5.612 -5.732 1.00 0.00 H new ATOM 1498 N LEU A 101 27.650 -2.509 0.883 1.00 0.00 N ATOM 1499 CA LEU A 101 28.294 -1.298 1.371 1.00 0.00 C ATOM 1500 C LEU A 101 29.346 -1.583 2.455 1.00 0.00 C ATOM 1501 O LEU A 101 29.623 -2.734 2.800 1.00 0.00 O ATOM 1502 CB LEU A 101 27.189 -0.305 1.851 1.00 0.00 C ATOM 1503 CG LEU A 101 27.054 1.020 1.068 1.00 0.00 C ATOM 1504 CD1 LEU A 101 28.284 1.921 1.224 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.788 0.785 -0.423 1.00 0.00 C ATOM 0 H LEU A 101 26.705 -2.629 1.247 1.00 0.00 H new ATOM 0 HA LEU A 101 28.854 -0.839 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.229 -0.821 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.380 -0.064 2.897 1.00 0.00 H new ATOM 0 HG LEU A 101 26.194 1.528 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 101 28.138 2.839 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.424 2.166 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 101 29.166 1.400 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.700 1.745 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.613 0.219 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.861 0.224 -0.543 1.00 0.00 H new ATOM 1517 N GLU A 102 29.918 -0.499 2.989 1.00 0.00 N ATOM 1518 CA GLU A 102 30.873 -0.451 4.090 1.00 0.00 C ATOM 1519 C GLU A 102 30.391 -1.223 5.317 1.00 0.00 C ATOM 1520 O GLU A 102 29.221 -1.579 5.448 1.00 0.00 O ATOM 1521 CB GLU A 102 31.084 1.022 4.482 1.00 0.00 C ATOM 1522 CG GLU A 102 31.911 1.816 3.463 1.00 0.00 C ATOM 1523 CD GLU A 102 31.936 3.321 3.800 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.957 4.034 3.465 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.944 3.793 4.379 1.00 0.00 O ATOM 0 H GLU A 102 29.707 0.434 2.634 1.00 0.00 H new ATOM 0 HA GLU A 102 31.799 -0.917 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.112 1.501 4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.580 1.064 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.930 1.431 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.495 1.673 2.466 1.00 0.00 H new ATOM 1532 N ASP A 103 31.302 -1.408 6.263 1.00 0.00 N ATOM 1533 CA ASP A 103 31.113 -2.156 7.498 1.00 0.00 C ATOM 1534 C ASP A 103 31.524 -1.264 8.677 1.00 0.00 C ATOM 1535 O ASP A 103 32.714 -0.975 8.845 1.00 0.00 O ATOM 1536 CB ASP A 103 31.952 -3.436 7.458 1.00 0.00 C ATOM 1537 CG ASP A 103 31.977 -4.121 8.833 1.00 0.00 C ATOM 1538 OD1 ASP A 103 30.990 -3.977 9.595 1.00 0.00 O ATOM 1539 OD2 ASP A 103 32.980 -4.819 9.119 1.00 0.00 O ATOM 0 H ASP A 103 32.242 -1.020 6.185 1.00 0.00 H new ATOM 0 HA ASP A 103 30.068 -2.442 7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 103 31.543 -4.120 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 103 32.969 -3.199 7.147 1.00 0.00 H new ATOM 1544 N PRO A 104 30.565 -0.766 9.482 1.00 0.00 N ATOM 1545 CA PRO A 104 30.879 0.057 10.637 1.00 0.00 C ATOM 1546 C PRO A 104 31.268 -0.770 11.877 1.00 0.00 C ATOM 1547 O PRO A 104 31.587 -0.147 12.880 1.00 0.00 O ATOM 1548 CB PRO A 104 29.613 0.884 10.883 1.00 0.00 C ATOM 1549 CG PRO A 104 28.501 -0.089 10.488 1.00 0.00 C ATOM 1550 CD PRO A 104 29.119 -0.871 9.326 1.00 0.00 C ATOM 0 HA PRO A 104 31.753 0.681 10.448 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.528 1.197 11.924 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.595 1.789 10.276 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.227 -0.745 11.314 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.595 0.436 10.184 1.00 0.00 H new ATOM 0 HD2 PRO A 104 28.801 -1.913 9.347 1.00 0.00 H new ATOM 0 HD3 PRO A 104 28.801 -0.459 8.368 1.00 0.00 H new ATOM 1558 N ASP A 105 31.249 -2.115 11.825 1.00 0.00 N ATOM 1559 CA ASP A 105 31.577 -3.088 12.886 1.00 0.00 C ATOM 1560 C ASP A 105 31.519 -2.517 14.311 1.00 0.00 C ATOM 1561 O ASP A 105 30.451 -2.477 14.921 1.00 0.00 O ATOM 1562 CB ASP A 105 32.937 -3.746 12.599 1.00 0.00 C ATOM 1563 CG ASP A 105 33.358 -4.711 13.725 1.00 0.00 C ATOM 1564 OD1 ASP A 105 32.513 -5.498 14.210 1.00 0.00 O ATOM 1565 OD2 ASP A 105 34.540 -4.661 14.138 1.00 0.00 O ATOM 0 H ASP A 105 30.980 -2.591 10.964 1.00 0.00 H new ATOM 0 HA ASP A 105 30.793 -3.845 12.858 1.00 0.00 H new ATOM 0 HB2 ASP A 105 32.885 -4.290 11.656 1.00 0.00 H new ATOM 0 HB3 ASP A 105 33.696 -2.973 12.480 1.00 0.00 H new ATOM 1570 N GLY A 106 32.651 -2.024 14.807 1.00 0.00 N ATOM 1571 CA GLY A 106 32.794 -1.304 16.072 1.00 0.00 C ATOM 1572 C GLY A 106 33.688 -0.075 15.892 1.00 0.00 C ATOM 1573 O GLY A 106 34.597 0.155 16.693 1.00 0.00 O ATOM 0 H GLY A 106 33.539 -2.120 14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.813 -0.997 16.435 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.221 -1.964 16.827 1.00 0.00 H new ATOM 1577 N GLN A 107 33.495 0.648 14.785 1.00 0.00 N ATOM 1578 CA GLN A 107 34.345 1.744 14.337 1.00 0.00 C ATOM 1579 C GLN A 107 34.096 3.051 15.093 1.00 0.00 C ATOM 1580 O GLN A 107 33.312 3.132 16.043 1.00 0.00 O ATOM 1581 CB GLN A 107 34.183 1.927 12.811 1.00 0.00 C ATOM 1582 CG GLN A 107 34.807 0.729 12.076 1.00 0.00 C ATOM 1583 CD GLN A 107 35.570 1.141 10.818 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.632 1.753 10.900 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.067 0.833 9.632 1.00 0.00 N ATOM 0 H GLN A 107 32.711 0.476 14.155 1.00 0.00 H new ATOM 0 HA GLN A 107 35.377 1.476 14.563 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.127 2.013 12.555 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.664 2.852 12.493 1.00 0.00 H new ATOM 0 HG2 GLN A 107 35.484 0.206 12.752 1.00 0.00 H new ATOM 0 HG3 GLN A 107 34.021 0.025 11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.185 0.325 9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.562 1.104 8.782 1.00 0.00 H new ATOM 1594 N SER A 108 34.818 4.076 14.648 1.00 0.00 N ATOM 1595 CA SER A 108 34.688 5.451 15.088 1.00 0.00 C ATOM 1596 C SER A 108 33.308 5.999 14.715 1.00 0.00 C ATOM 1597 O SER A 108 32.641 5.481 13.811 1.00 0.00 O ATOM 1598 CB SER A 108 35.823 6.269 14.449 1.00 0.00 C ATOM 1599 OG SER A 108 35.958 5.961 13.067 1.00 0.00 O ATOM 0 H SER A 108 35.541 3.959 13.938 1.00 0.00 H new ATOM 0 HA SER A 108 34.771 5.517 16.173 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.622 7.333 14.570 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.761 6.061 14.965 1.00 0.00 H new ATOM 0 HG SER A 108 36.684 6.495 12.682 1.00 0.00 H new ATOM 1605 N LEU A 109 32.914 7.109 15.356 1.00 0.00 N ATOM 1606 CA LEU A 109 31.668 7.808 15.039 1.00 0.00 C ATOM 1607 C LEU A 109 31.624 8.178 13.565 1.00 0.00 C ATOM 1608 O LEU A 109 30.559 8.159 12.964 1.00 0.00 O ATOM 1609 CB LEU A 109 31.487 9.107 15.857 1.00 0.00 C ATOM 1610 CG LEU A 109 31.451 8.997 17.393 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.963 10.324 17.989 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.545 7.860 17.872 1.00 0.00 C ATOM 0 H LEU A 109 33.451 7.544 16.106 1.00 0.00 H new ATOM 0 HA LEU A 109 30.864 7.117 15.294 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.298 9.785 15.590 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.558 9.578 15.534 1.00 0.00 H new ATOM 0 HG LEU A 109 32.463 8.776 17.731 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.937 10.247 19.076 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.642 11.125 17.698 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.962 10.544 17.617 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.553 7.823 18.961 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.527 8.034 17.522 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.909 6.913 17.474 1.00 0.00 H new ATOM 1624 N GLU A 110 32.778 8.494 12.975 1.00 0.00 N ATOM 1625 CA GLU A 110 32.865 8.941 11.596 1.00 0.00 C ATOM 1626 C GLU A 110 32.385 7.862 10.651 1.00 0.00 C ATOM 1627 O GLU A 110 31.698 8.193 9.686 1.00 0.00 O ATOM 1628 CB GLU A 110 34.301 9.347 11.248 1.00 0.00 C ATOM 1629 CG GLU A 110 34.630 10.650 11.971 1.00 0.00 C ATOM 1630 CD GLU A 110 36.016 11.193 11.584 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.018 10.831 12.247 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.115 11.999 10.625 1.00 0.00 O ATOM 0 H GLU A 110 33.680 8.445 13.449 1.00 0.00 H new ATOM 0 HA GLU A 110 32.220 9.812 11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 110 34.998 8.563 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.407 9.475 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.871 11.396 11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.593 10.486 13.048 1.00 0.00 H new ATOM 1639 N VAL A 111 32.675 6.583 10.910 1.00 0.00 N ATOM 1640 CA VAL A 111 32.182 5.554 10.023 1.00 0.00 C ATOM 1641 C VAL A 111 30.687 5.376 10.261 1.00 0.00 C ATOM 1642 O VAL A 111 29.939 5.403 9.287 1.00 0.00 O ATOM 1643 CB VAL A 111 33.021 4.270 10.147 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.526 3.225 9.143 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.498 4.580 9.852 1.00 0.00 C ATOM 0 H VAL A 111 33.230 6.254 11.700 1.00 0.00 H new ATOM 0 HA VAL A 111 32.298 5.847 8.980 1.00 0.00 H new ATOM 0 HB VAL A 111 32.920 3.884 11.161 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.124 2.319 9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.481 2.992 9.346 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.620 3.619 8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.086 3.667 9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.592 4.974 8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 111 34.864 5.319 10.565 1.00 0.00 H new ATOM 1655 N PHE A 112 30.216 5.313 11.513 1.00 0.00 N ATOM 1656 CA PHE A 112 28.766 5.314 11.776 1.00 0.00 C ATOM 1657 C PHE A 112 28.032 6.483 11.083 1.00 0.00 C ATOM 1658 O PHE A 112 26.952 6.268 10.541 1.00 0.00 O ATOM 1659 CB PHE A 112 28.474 5.239 13.288 1.00 0.00 C ATOM 1660 CG PHE A 112 28.706 3.863 13.877 1.00 0.00 C ATOM 1661 CD1 PHE A 112 27.746 2.851 13.685 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.876 3.584 14.600 1.00 0.00 C ATOM 1663 CE1 PHE A 112 27.962 1.561 14.207 1.00 0.00 C ATOM 1664 CE2 PHE A 112 30.095 2.295 15.118 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.146 1.281 14.913 1.00 0.00 C ATOM 0 H PHE A 112 30.802 5.262 12.346 1.00 0.00 H new ATOM 0 HA PHE A 112 28.358 4.410 11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.104 5.960 13.809 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.440 5.533 13.466 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.841 3.065 13.136 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.610 4.361 14.759 1.00 0.00 H new ATOM 0 HE1 PHE A 112 27.220 0.789 14.066 1.00 0.00 H new ATOM 0 HE2 PHE A 112 30.996 2.085 15.675 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.325 0.287 15.297 1.00 0.00 H new ATOM 1675 N ARG A 113 28.617 7.689 11.012 1.00 0.00 N ATOM 1676 CA ARG A 113 28.058 8.817 10.238 1.00 0.00 C ATOM 1677 C ARG A 113 28.129 8.574 8.730 1.00 0.00 C ATOM 1678 O ARG A 113 27.155 8.826 8.024 1.00 0.00 O ATOM 1679 CB ARG A 113 28.821 10.134 10.519 1.00 0.00 C ATOM 1680 CG ARG A 113 28.580 10.741 11.907 1.00 0.00 C ATOM 1681 CD ARG A 113 29.250 12.116 12.029 1.00 0.00 C ATOM 1682 NE ARG A 113 28.828 12.833 13.250 1.00 0.00 N ATOM 1683 CZ ARG A 113 29.418 13.925 13.761 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.549 14.401 13.237 1.00 0.00 N ATOM 1685 NH2 ARG A 113 28.870 14.550 14.798 1.00 0.00 N ATOM 0 H ARG A 113 29.491 7.913 11.488 1.00 0.00 H new ATOM 0 HA ARG A 113 27.019 8.898 10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.889 9.950 10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.538 10.868 9.764 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.509 10.837 12.085 1.00 0.00 H new ATOM 0 HG3 ARG A 113 28.972 10.072 12.673 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.333 11.992 12.038 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.005 12.717 11.153 1.00 0.00 H new ATOM 0 HE ARG A 113 28.017 12.466 13.748 1.00 0.00 H new ATOM 0 HH11 ARG A 113 30.977 13.934 12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 113 30.986 15.232 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.002 14.200 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 113 29.317 15.380 15.188 1.00 0.00 H new ATOM 1699 N THR A 114 29.270 8.119 8.230 1.00 0.00 N ATOM 1700 CA THR A 114 29.526 8.054 6.796 1.00 0.00 C ATOM 1701 C THR A 114 28.696 6.946 6.159 1.00 0.00 C ATOM 1702 O THR A 114 28.107 7.166 5.100 1.00 0.00 O ATOM 1703 CB THR A 114 31.031 7.842 6.547 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.765 8.925 7.087 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.371 7.738 5.056 1.00 0.00 C ATOM 0 H THR A 114 30.043 7.785 8.805 1.00 0.00 H new ATOM 0 HA THR A 114 29.231 8.995 6.333 1.00 0.00 H new ATOM 0 HB THR A 114 31.298 6.902 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.839 8.818 8.058 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.444 7.589 4.937 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.837 6.894 4.619 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.074 8.657 4.550 1.00 0.00 H new ATOM 1713 N VAL A 115 28.605 5.778 6.801 1.00 0.00 N ATOM 1714 CA VAL A 115 27.952 4.620 6.192 1.00 0.00 C ATOM 1715 C VAL A 115 26.472 4.944 6.087 1.00 0.00 C ATOM 1716 O VAL A 115 25.882 4.798 5.024 1.00 0.00 O ATOM 1717 CB VAL A 115 28.253 3.316 6.962 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.560 2.100 6.317 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.763 3.055 6.966 1.00 0.00 C ATOM 0 H VAL A 115 28.974 5.611 7.737 1.00 0.00 H new ATOM 0 HA VAL A 115 28.345 4.430 5.193 1.00 0.00 H new ATOM 0 HB VAL A 115 27.875 3.443 7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.796 1.202 6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.481 2.255 6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.912 1.982 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.972 2.134 7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 115 30.118 2.959 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.275 3.887 7.451 1.00 0.00 H new ATOM 1729 N ARG A 116 25.910 5.503 7.157 1.00 0.00 N ATOM 1730 CA ARG A 116 24.575 6.084 7.188 1.00 0.00 C ATOM 1731 C ARG A 116 24.365 7.000 5.983 1.00 0.00 C ATOM 1732 O ARG A 116 23.408 6.791 5.252 1.00 0.00 O ATOM 1733 CB ARG A 116 24.496 6.795 8.547 1.00 0.00 C ATOM 1734 CG ARG A 116 23.404 7.849 8.741 1.00 0.00 C ATOM 1735 CD ARG A 116 23.822 8.791 9.862 1.00 0.00 C ATOM 1736 NE ARG A 116 24.679 9.891 9.359 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.872 11.085 9.935 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.340 11.374 11.116 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.629 11.990 9.327 1.00 0.00 N ATOM 0 H ARG A 116 26.390 5.565 8.055 1.00 0.00 H new ATOM 0 HA ARG A 116 23.772 5.352 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.366 6.033 9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.458 7.273 8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.250 8.407 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.456 7.369 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.934 9.209 10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.359 8.231 10.627 1.00 0.00 H new ATOM 0 HE ARG A 116 25.173 9.721 8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 116 23.772 10.681 11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 116 24.499 12.289 11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.059 11.774 8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.781 12.901 9.759 1.00 0.00 H new ATOM 1753 N GLY A 117 25.246 7.973 5.740 1.00 0.00 N ATOM 1754 CA GLY A 117 25.049 8.916 4.642 1.00 0.00 C ATOM 1755 C GLY A 117 25.032 8.206 3.289 1.00 0.00 C ATOM 1756 O GLY A 117 24.138 8.430 2.475 1.00 0.00 O ATOM 0 H GLY A 117 26.095 8.126 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.110 9.451 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.845 9.660 4.653 1.00 0.00 H new ATOM 1760 N GLN A 118 25.974 7.292 3.060 1.00 0.00 N ATOM 1761 CA GLN A 118 26.033 6.576 1.794 1.00 0.00 C ATOM 1762 C GLN A 118 24.823 5.669 1.611 1.00 0.00 C ATOM 1763 O GLN A 118 24.277 5.591 0.511 1.00 0.00 O ATOM 1764 CB GLN A 118 27.362 5.821 1.672 1.00 0.00 C ATOM 1765 CG GLN A 118 28.533 6.817 1.659 1.00 0.00 C ATOM 1766 CD GLN A 118 29.643 6.367 0.706 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.616 6.697 -0.480 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.612 5.591 1.162 1.00 0.00 N ATOM 0 H GLN A 118 26.699 7.034 3.730 1.00 0.00 H new ATOM 0 HA GLN A 118 25.994 7.300 0.980 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.473 5.127 2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.369 5.226 0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.172 7.801 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.936 6.919 2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.629 5.321 2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.342 5.263 0.530 1.00 0.00 H new ATOM 1777 N VAL A 119 24.352 5.054 2.691 1.00 0.00 N ATOM 1778 CA VAL A 119 23.136 4.254 2.690 1.00 0.00 C ATOM 1779 C VAL A 119 21.967 5.165 2.338 1.00 0.00 C ATOM 1780 O VAL A 119 21.142 4.767 1.525 1.00 0.00 O ATOM 1781 CB VAL A 119 22.952 3.574 4.063 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.558 2.977 4.256 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.959 2.419 4.222 1.00 0.00 C ATOM 0 H VAL A 119 24.810 5.099 3.601 1.00 0.00 H new ATOM 0 HA VAL A 119 23.194 3.458 1.948 1.00 0.00 H new ATOM 0 HB VAL A 119 23.108 4.359 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.494 2.514 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.810 3.766 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.375 2.225 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.820 1.946 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.796 1.683 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.974 2.809 4.150 1.00 0.00 H new ATOM 1793 N LYS A 120 21.880 6.378 2.893 1.00 0.00 N ATOM 1794 CA LYS A 120 20.716 7.233 2.678 1.00 0.00 C ATOM 1795 C LYS A 120 20.533 7.566 1.211 1.00 0.00 C ATOM 1796 O LYS A 120 19.401 7.613 0.744 1.00 0.00 O ATOM 1797 CB LYS A 120 20.747 8.471 3.591 1.00 0.00 C ATOM 1798 CG LYS A 120 21.432 9.769 3.105 1.00 0.00 C ATOM 1799 CD LYS A 120 20.607 11.006 3.495 1.00 0.00 C ATOM 1800 CE LYS A 120 19.325 11.148 2.646 1.00 0.00 C ATOM 1801 NZ LYS A 120 19.548 11.891 1.379 1.00 0.00 N ATOM 0 H LYS A 120 22.599 6.785 3.491 1.00 0.00 H new ATOM 0 HA LYS A 120 19.827 6.673 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.714 8.720 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.232 8.176 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.430 9.842 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.555 9.736 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.337 10.942 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 120 21.219 11.900 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.937 10.156 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.562 11.661 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.692 11.839 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 19.761 12.886 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 20.348 11.469 0.865 1.00 0.00 H new ATOM 1815 N GLU A 121 21.627 7.748 0.479 1.00 0.00 N ATOM 1816 CA GLU A 121 21.549 7.990 -0.951 1.00 0.00 C ATOM 1817 C GLU A 121 21.057 6.740 -1.668 1.00 0.00 C ATOM 1818 O GLU A 121 20.210 6.866 -2.548 1.00 0.00 O ATOM 1819 CB GLU A 121 22.907 8.435 -1.518 1.00 0.00 C ATOM 1820 CG GLU A 121 23.368 9.806 -1.007 1.00 0.00 C ATOM 1821 CD GLU A 121 22.349 10.922 -1.291 1.00 0.00 C ATOM 1822 OE1 GLU A 121 22.356 11.486 -2.411 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.529 11.229 -0.392 1.00 0.00 O ATOM 0 H GLU A 121 22.575 7.732 0.855 1.00 0.00 H new ATOM 0 HA GLU A 121 20.838 8.799 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.660 7.690 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.845 8.464 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.546 9.747 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 121 24.319 10.062 -1.474 1.00 0.00 H new ATOM 1830 N ARG A 122 21.530 5.537 -1.309 1.00 0.00 N ATOM 1831 CA ARG A 122 21.004 4.320 -1.932 1.00 0.00 C ATOM 1832 C ARG A 122 19.520 4.156 -1.612 1.00 0.00 C ATOM 1833 O ARG A 122 18.736 3.901 -2.524 1.00 0.00 O ATOM 1834 CB ARG A 122 21.794 3.074 -1.508 1.00 0.00 C ATOM 1835 CG ARG A 122 23.095 2.849 -2.291 1.00 0.00 C ATOM 1836 CD ARG A 122 24.229 3.797 -1.911 1.00 0.00 C ATOM 1837 NE ARG A 122 25.431 3.574 -2.737 1.00 0.00 N ATOM 1838 CZ ARG A 122 26.532 4.340 -2.742 1.00 0.00 C ATOM 1839 NH1 ARG A 122 26.606 5.424 -1.972 1.00 0.00 N ATOM 1840 NH2 ARG A 122 27.563 4.016 -3.514 1.00 0.00 N ATOM 0 H ARG A 122 22.256 5.385 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 122 21.120 4.425 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 122 22.032 3.154 -0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.157 2.197 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.427 1.823 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 122 22.888 2.957 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.895 4.828 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 122 24.480 3.660 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 122 25.424 2.766 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.821 5.678 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 122 27.447 6.000 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.518 3.185 -4.103 1.00 0.00 H new ATOM 0 HH22 ARG A 122 28.400 4.599 -3.518 1.00 0.00 H new ATOM 1854 N VAL A 123 19.111 4.386 -0.363 1.00 0.00 N ATOM 1855 CA VAL A 123 17.716 4.366 0.043 1.00 0.00 C ATOM 1856 C VAL A 123 16.916 5.326 -0.830 1.00 0.00 C ATOM 1857 O VAL A 123 15.936 4.930 -1.455 1.00 0.00 O ATOM 1858 CB VAL A 123 17.623 4.687 1.549 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.181 4.871 2.005 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.226 3.572 2.417 1.00 0.00 C ATOM 0 H VAL A 123 19.754 4.594 0.401 1.00 0.00 H new ATOM 0 HA VAL A 123 17.281 3.377 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 123 18.185 5.612 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.162 5.095 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.727 5.694 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.620 3.955 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 123 18.138 3.842 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.691 2.640 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.278 3.442 2.163 1.00 0.00 H new ATOM 1870 N GLU A 124 17.354 6.570 -0.933 1.00 0.00 N ATOM 1871 CA GLU A 124 16.624 7.592 -1.647 1.00 0.00 C ATOM 1872 C GLU A 124 16.575 7.301 -3.148 1.00 0.00 C ATOM 1873 O GLU A 124 15.566 7.580 -3.785 1.00 0.00 O ATOM 1874 CB GLU A 124 17.253 8.923 -1.281 1.00 0.00 C ATOM 1875 CG GLU A 124 16.469 10.093 -1.868 1.00 0.00 C ATOM 1876 CD GLU A 124 17.044 11.457 -1.443 1.00 0.00 C ATOM 1877 OE1 GLU A 124 17.316 11.672 -0.237 1.00 0.00 O ATOM 1878 OE2 GLU A 124 17.221 12.336 -2.321 1.00 0.00 O ATOM 0 H GLU A 124 18.229 6.895 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 124 15.574 7.616 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.296 9.020 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.280 8.953 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.476 10.022 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.428 10.025 -1.550 1.00 0.00 H new ATOM 1885 N ASN A 125 17.615 6.682 -3.707 1.00 0.00 N ATOM 1886 CA ASN A 125 17.608 6.188 -5.078 1.00 0.00 C ATOM 1887 C ASN A 125 16.544 5.114 -5.272 1.00 0.00 C ATOM 1888 O ASN A 125 15.769 5.200 -6.218 1.00 0.00 O ATOM 1889 CB ASN A 125 18.976 5.624 -5.483 1.00 0.00 C ATOM 1890 CG ASN A 125 19.882 6.696 -6.087 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.938 6.864 -7.303 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.585 7.458 -5.264 1.00 0.00 N ATOM 0 H ASN A 125 18.491 6.510 -3.215 1.00 0.00 H new ATOM 0 HA ASN A 125 17.377 7.040 -5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.462 5.189 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.837 4.819 -6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 125 21.183 8.196 -5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.529 7.308 -4.257 1.00 0.00 H new ATOM 1899 N LEU A 126 16.477 4.118 -4.382 1.00 0.00 N ATOM 1900 CA LEU A 126 15.442 3.078 -4.424 1.00 0.00 C ATOM 1901 C LEU A 126 14.063 3.712 -4.398 1.00 0.00 C ATOM 1902 O LEU A 126 13.233 3.394 -5.239 1.00 0.00 O ATOM 1903 CB LEU A 126 15.693 2.055 -3.305 1.00 0.00 C ATOM 1904 CG LEU A 126 14.505 1.448 -2.523 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.771 -0.035 -2.314 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.313 2.076 -1.143 1.00 0.00 C ATOM 0 H LEU A 126 17.138 4.010 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 126 15.490 2.521 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.248 1.226 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.351 2.528 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 126 13.607 1.636 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.942 -0.479 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.869 -0.527 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.693 -0.163 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.464 1.607 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.213 1.925 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.125 3.144 -1.252 1.00 0.00 H new ATOM 1918 N ILE A 127 13.870 4.664 -3.495 1.00 0.00 N ATOM 1919 CA ILE A 127 12.649 5.446 -3.375 1.00 0.00 C ATOM 1920 C ILE A 127 12.371 6.174 -4.687 1.00 0.00 C ATOM 1921 O ILE A 127 11.240 6.147 -5.152 1.00 0.00 O ATOM 1922 CB ILE A 127 12.831 6.373 -2.164 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.409 5.563 -0.921 1.00 0.00 C ATOM 1924 CG2 ILE A 127 12.092 7.712 -2.209 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.358 5.814 0.245 1.00 0.00 C ATOM 0 H ILE A 127 14.579 4.920 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 127 11.768 4.829 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 127 13.878 6.676 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.394 5.836 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.397 4.500 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.301 8.274 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.428 8.284 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.020 7.533 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.037 5.230 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.368 5.518 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.349 6.874 0.500 1.00 0.00 H new ATOM 1937 N ALA A 128 13.375 6.777 -5.324 1.00 0.00 N ATOM 1938 CA ALA A 128 13.187 7.487 -6.577 1.00 0.00 C ATOM 1939 C ALA A 128 12.668 6.561 -7.688 1.00 0.00 C ATOM 1940 O ALA A 128 11.946 7.023 -8.575 1.00 0.00 O ATOM 1941 CB ALA A 128 14.477 8.203 -6.993 1.00 0.00 C ATOM 0 H ALA A 128 14.336 6.784 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 128 12.419 8.244 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 128 14.314 8.729 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.761 8.919 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 128 15.275 7.471 -7.119 1.00 0.00 H new ATOM 1947 N LYS A 129 13.006 5.265 -7.652 1.00 0.00 N ATOM 1948 CA LYS A 129 12.486 4.297 -8.605 1.00 0.00 C ATOM 1949 C LYS A 129 11.011 3.990 -8.344 1.00 0.00 C ATOM 1950 O LYS A 129 10.249 3.839 -9.301 1.00 0.00 O ATOM 1951 CB LYS A 129 13.283 2.985 -8.549 1.00 0.00 C ATOM 1952 CG LYS A 129 14.781 3.168 -8.818 1.00 0.00 C ATOM 1953 CD LYS A 129 15.524 1.871 -8.493 1.00 0.00 C ATOM 1954 CE LYS A 129 17.036 2.118 -8.574 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.832 0.861 -8.627 1.00 0.00 N ATOM 0 H LYS A 129 13.644 4.868 -6.963 1.00 0.00 H new ATOM 0 HA LYS A 129 12.587 4.744 -9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 129 13.151 2.531 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.873 2.288 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.943 3.440 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.172 3.985 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.254 1.524 -7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.234 1.087 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.253 2.716 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.349 2.703 -7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.843 1.093 -8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.664 0.307 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.546 0.304 -9.457 1.00 0.00 H new ATOM 1969 N ILE A 130 10.608 3.882 -7.072 1.00 0.00 N ATOM 1970 CA ILE A 130 9.303 3.367 -6.683 1.00 0.00 C ATOM 1971 C ILE A 130 8.261 4.395 -6.251 1.00 0.00 C ATOM 1972 O ILE A 130 7.105 4.281 -6.668 1.00 0.00 O ATOM 1973 CB ILE A 130 9.484 2.276 -5.607 1.00 0.00 C ATOM 1974 CG1 ILE A 130 10.187 2.719 -4.308 1.00 0.00 C ATOM 1975 CG2 ILE A 130 10.084 1.023 -6.270 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.756 1.569 -3.460 1.00 0.00 C ATOM 0 H ILE A 130 11.190 4.155 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 130 8.878 2.956 -7.599 1.00 0.00 H new ATOM 0 HB ILE A 130 8.495 2.031 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.999 3.399 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.478 3.283 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.217 0.243 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.411 0.666 -7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 130 11.049 1.272 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.231 1.976 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.948 0.898 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.493 1.017 -4.043 1.00 0.00 H new ATOM 1988 N SER A 131 8.610 5.313 -5.367 1.00 0.00 N ATOM 1989 CA SER A 131 7.682 6.217 -4.719 1.00 0.00 C ATOM 1990 C SER A 131 7.110 7.223 -5.730 1.00 0.00 C ATOM 1991 O SER A 131 5.942 7.641 -5.558 1.00 0.00 O ATOM 1992 CB SER A 131 8.414 6.919 -3.582 1.00 0.00 C ATOM 1993 OG SER A 131 8.938 5.933 -2.695 1.00 0.00 O ATOM 1994 OXT SER A 131 7.831 7.628 -6.673 1.00 0.00 O ATOM 0 H SER A 131 9.577 5.452 -5.073 1.00 0.00 H new ATOM 0 HA SER A 131 6.836 5.662 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.220 7.538 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.734 7.583 -3.049 1.00 0.00 H new ATOM 0 HG SER A 131 9.124 6.342 -1.824 1.00 0.00 H new