USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.4) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.336 K(o=-0.34,f=-7.2!) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 ASN : amide:sc= -0.0607 K(o=-0.37,f=-3.9!) USER MOD Set 3.2: A 16 GLN :FLIP amide:sc= -0.559 F(o=-3.5!,f=-0.37) USER MOD Set 3.3: A 60 GLN : amide:sc= -0.538 K(o=-0.37,f=-2) USER MOD Set 3.4: A 62 SER OG : rot 180:sc= 0.783 USER MOD Set 4.1: A 8 SER OG : rot -85:sc= 0.637 USER MOD Set 4.2: A 15 SER OG : rot 164:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 2.42 (180deg=2.4) USER MOD Single : A 3 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.16) USER MOD Single : A 5 MET CE :methyl -129:sc= -2.31! (180deg=-2.58) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 170:sc= -0.282 USER MOD Single : A 13 SER OG : rot 173:sc= 1.28 USER MOD Single : A 17 MET CE :methyl -154:sc= -0.0342 (180deg=-0.538) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -76:sc= 0.0947 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 172:sc=-0.00283 USER MOD Single : A 34 SER OG : rot -166:sc= 0.427 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 145:sc= 0.808 USER MOD Single : A 40 SER OG : rot 180:sc= 0.708 USER MOD Single : A 49 MET CE :methyl 172:sc= -0.0257 (180deg=-0.042) USER MOD Single : A 50 MET CE :methyl -166:sc= -0.704 (180deg=-1.43) USER MOD Single : A 58 SER OG : rot -55:sc= 1.3 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 67 ASN : amide:sc= 0.511 K(o=0.51,f=0) USER MOD Single : A 69 ASN : amide:sc= 1.61 K(o=1.6,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 113:sc= 0.26 USER MOD Single : A 85 ASN : amide:sc= 0.755 K(o=0.76,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc=0.000306 USER MOD Single : A 93 GLN : amide:sc= 0.281 K(o=0.28,f=-3.7!) USER MOD Single : A 100 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 107 GLN : amide:sc= 0.884 K(o=0.88,f=-0.068) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 114 THR OG1 : rot 71:sc= 1.28 USER MOD Single : A 118 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.21) USER MOD Single : A 120 LYS NZ :NH3+ -156:sc= 1.23 (180deg=1.16) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.216 0.459 0.108 1.00 0.00 N ATOM 2 CA MET A 1 2.016 0.343 -1.157 1.00 0.00 C ATOM 3 C MET A 1 2.290 -1.131 -1.507 1.00 0.00 C ATOM 4 O MET A 1 2.833 -1.858 -0.683 1.00 0.00 O ATOM 5 CB MET A 1 3.351 1.134 -1.057 1.00 0.00 C ATOM 6 CG MET A 1 4.082 1.317 -2.394 1.00 0.00 C ATOM 7 SD MET A 1 5.733 2.053 -2.238 1.00 0.00 S ATOM 8 CE MET A 1 5.328 3.780 -1.846 1.00 0.00 C ATOM 0 H1 MET A 1 1.046 1.463 0.320 1.00 0.00 H new ATOM 0 H2 MET A 1 0.305 -0.029 -0.011 1.00 0.00 H new ATOM 0 H3 MET A 1 1.742 0.024 0.893 1.00 0.00 H new ATOM 0 HA MET A 1 1.422 0.781 -1.959 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.146 2.116 -0.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.014 0.618 -0.362 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.173 0.347 -2.882 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.475 1.946 -3.045 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.248 4.351 -1.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.741 4.209 -2.658 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.751 3.818 -0.922 1.00 0.00 H new ATOM 20 N LYS A 2 1.979 -1.567 -2.740 1.00 0.00 N ATOM 21 CA LYS A 2 2.291 -2.929 -3.239 1.00 0.00 C ATOM 22 C LYS A 2 3.692 -2.950 -3.862 1.00 0.00 C ATOM 23 O LYS A 2 3.850 -2.623 -5.033 1.00 0.00 O ATOM 24 CB LYS A 2 1.216 -3.365 -4.266 1.00 0.00 C ATOM 25 CG LYS A 2 -0.219 -3.420 -3.710 1.00 0.00 C ATOM 26 CD LYS A 2 -0.606 -4.762 -3.072 1.00 0.00 C ATOM 27 CE LYS A 2 -0.883 -5.840 -4.135 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.523 -7.034 -3.525 1.00 0.00 N ATOM 0 H LYS A 2 1.501 -0.985 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 2 2.280 -3.635 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.238 -2.675 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.480 -4.350 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.337 -2.632 -2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.917 -3.202 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.196 -5.097 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.492 -4.628 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.530 -5.433 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.051 -6.129 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.577 -7.797 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.959 -7.353 -2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.482 -6.789 -3.206 1.00 0.00 H new ATOM 42 N LYS A 3 4.727 -3.277 -3.083 1.00 0.00 N ATOM 43 CA LYS A 3 6.120 -3.293 -3.583 1.00 0.00 C ATOM 44 C LYS A 3 6.422 -4.570 -4.367 1.00 0.00 C ATOM 45 O LYS A 3 5.870 -5.632 -4.079 1.00 0.00 O ATOM 46 CB LYS A 3 7.148 -3.091 -2.454 1.00 0.00 C ATOM 47 CG LYS A 3 6.827 -1.897 -1.549 1.00 0.00 C ATOM 48 CD LYS A 3 7.920 -1.672 -0.498 1.00 0.00 C ATOM 49 CE LYS A 3 7.400 -0.688 0.556 1.00 0.00 C ATOM 50 NZ LYS A 3 8.421 -0.452 1.614 1.00 0.00 N ATOM 0 H LYS A 3 4.634 -3.536 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 3 6.213 -2.447 -4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.194 -3.996 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.136 -2.951 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.716 -0.999 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.872 -2.064 -1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.192 -2.618 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.821 -1.279 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.139 0.257 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.488 -1.080 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.947 -0.189 2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.975 -1.320 1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.055 0.318 1.319 1.00 0.00 H new ATOM 64 N VAL A 4 7.343 -4.470 -5.320 1.00 0.00 N ATOM 65 CA VAL A 4 7.782 -5.598 -6.168 1.00 0.00 C ATOM 66 C VAL A 4 9.270 -5.901 -6.001 1.00 0.00 C ATOM 67 O VAL A 4 10.066 -4.974 -5.896 1.00 0.00 O ATOM 68 CB VAL A 4 7.366 -5.392 -7.639 1.00 0.00 C ATOM 69 CG1 VAL A 4 7.776 -4.055 -8.255 1.00 0.00 C ATOM 70 CG2 VAL A 4 7.894 -6.499 -8.557 1.00 0.00 C ATOM 0 H VAL A 4 7.819 -3.594 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 4 7.261 -6.491 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 4 6.278 -5.415 -7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.436 -4.012 -9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.324 -3.240 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.861 -3.958 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.573 -6.307 -9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.983 -6.518 -8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.502 -7.462 -8.229 1.00 0.00 H new ATOM 80 N MET A 5 9.641 -7.186 -6.017 1.00 0.00 N ATOM 81 CA MET A 5 11.038 -7.647 -6.041 1.00 0.00 C ATOM 82 C MET A 5 11.300 -8.538 -7.266 1.00 0.00 C ATOM 83 O MET A 5 10.536 -9.474 -7.505 1.00 0.00 O ATOM 84 CB MET A 5 11.402 -8.421 -4.759 1.00 0.00 C ATOM 85 CG MET A 5 12.905 -8.771 -4.689 1.00 0.00 C ATOM 86 SD MET A 5 14.015 -7.342 -4.584 1.00 0.00 S ATOM 87 CE MET A 5 13.704 -6.770 -2.894 1.00 0.00 C ATOM 0 H MET A 5 8.967 -7.952 -6.014 1.00 0.00 H new ATOM 0 HA MET A 5 11.666 -6.758 -6.100 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.130 -7.825 -3.888 1.00 0.00 H new ATOM 0 HB3 MET A 5 10.816 -9.339 -4.713 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.075 -9.409 -3.822 1.00 0.00 H new ATOM 0 HG3 MET A 5 13.169 -9.354 -5.571 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.483 -5.703 -2.906 1.00 0.00 H new ATOM 0 HE2 MET A 5 12.855 -7.311 -2.477 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.586 -6.951 -2.280 1.00 0.00 H new ATOM 97 N PHE A 6 12.384 -8.307 -8.008 1.00 0.00 N ATOM 98 CA PHE A 6 12.849 -9.238 -9.051 1.00 0.00 C ATOM 99 C PHE A 6 14.085 -10.012 -8.581 1.00 0.00 C ATOM 100 O PHE A 6 14.988 -9.426 -7.989 1.00 0.00 O ATOM 101 CB PHE A 6 13.099 -8.533 -10.384 1.00 0.00 C ATOM 102 CG PHE A 6 11.976 -7.621 -10.820 1.00 0.00 C ATOM 103 CD1 PHE A 6 11.928 -6.302 -10.350 1.00 0.00 C ATOM 104 CD2 PHE A 6 10.945 -8.102 -11.637 1.00 0.00 C ATOM 105 CE1 PHE A 6 10.851 -5.469 -10.661 1.00 0.00 C ATOM 106 CE2 PHE A 6 9.848 -7.284 -11.937 1.00 0.00 C ATOM 107 CZ PHE A 6 9.794 -5.962 -11.450 1.00 0.00 C ATOM 0 H PHE A 6 12.966 -7.475 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 6 12.049 -9.957 -9.225 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.017 -7.950 -10.308 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.262 -9.285 -11.156 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.735 -5.924 -9.739 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.996 -9.104 -12.036 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.829 -4.452 -10.298 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.041 -7.667 -12.543 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.948 -5.332 -11.681 1.00 0.00 H new ATOM 117 N VAL A 7 14.153 -11.310 -8.876 1.00 0.00 N ATOM 118 CA VAL A 7 15.143 -12.244 -8.312 1.00 0.00 C ATOM 119 C VAL A 7 15.821 -13.092 -9.391 1.00 0.00 C ATOM 120 O VAL A 7 15.166 -13.599 -10.298 1.00 0.00 O ATOM 121 CB VAL A 7 14.465 -13.157 -7.261 1.00 0.00 C ATOM 122 CG1 VAL A 7 15.511 -13.942 -6.460 1.00 0.00 C ATOM 123 CG2 VAL A 7 13.620 -12.377 -6.242 1.00 0.00 C ATOM 0 H VAL A 7 13.509 -11.757 -9.528 1.00 0.00 H new ATOM 0 HA VAL A 7 15.922 -11.649 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 7 13.819 -13.821 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.009 -14.576 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.097 -14.564 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.172 -13.246 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.171 -13.073 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.255 -11.672 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.833 -11.832 -6.763 1.00 0.00 H new ATOM 133 N SER A 8 17.135 -13.300 -9.276 1.00 0.00 N ATOM 134 CA SER A 8 17.901 -14.268 -10.094 1.00 0.00 C ATOM 135 C SER A 8 19.172 -14.697 -9.352 1.00 0.00 C ATOM 136 O SER A 8 19.348 -14.354 -8.187 1.00 0.00 O ATOM 137 CB SER A 8 18.266 -13.612 -11.439 1.00 0.00 C ATOM 138 OG SER A 8 19.287 -12.672 -11.210 1.00 0.00 O ATOM 0 H SER A 8 17.714 -12.797 -8.604 1.00 0.00 H new ATOM 0 HA SER A 8 17.293 -15.154 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.598 -14.367 -12.152 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.393 -13.126 -11.873 1.00 0.00 H new ATOM 0 HG SER A 8 18.891 -11.818 -10.937 1.00 0.00 H new ATOM 144 N LYS A 9 20.108 -15.408 -9.998 1.00 0.00 N ATOM 145 CA LYS A 9 21.448 -15.627 -9.407 1.00 0.00 C ATOM 146 C LYS A 9 22.224 -14.300 -9.350 1.00 0.00 C ATOM 147 O LYS A 9 22.835 -13.996 -8.332 1.00 0.00 O ATOM 148 CB LYS A 9 22.186 -16.745 -10.181 1.00 0.00 C ATOM 149 CG LYS A 9 23.496 -17.160 -9.481 1.00 0.00 C ATOM 150 CD LYS A 9 24.158 -18.407 -10.092 1.00 0.00 C ATOM 151 CE LYS A 9 24.695 -18.175 -11.516 1.00 0.00 C ATOM 152 NZ LYS A 9 25.419 -19.375 -12.032 1.00 0.00 N ATOM 0 H LYS A 9 19.972 -15.837 -10.914 1.00 0.00 H new ATOM 0 HA LYS A 9 21.357 -15.971 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.534 -17.613 -10.275 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.407 -16.402 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.199 -16.328 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.290 -17.349 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.978 -18.726 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.434 -19.221 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.867 -17.934 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.366 -17.316 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.767 -19.184 -12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.223 -19.590 -11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.771 -20.188 -12.054 1.00 0.00 H new ATOM 166 N ARG A 10 22.125 -13.480 -10.400 1.00 0.00 N ATOM 167 CA ARG A 10 22.851 -12.206 -10.576 1.00 0.00 C ATOM 168 C ARG A 10 21.892 -11.051 -10.812 1.00 0.00 C ATOM 169 O ARG A 10 21.422 -10.853 -11.927 1.00 0.00 O ATOM 170 CB ARG A 10 23.838 -12.332 -11.759 1.00 0.00 C ATOM 171 CG ARG A 10 25.104 -13.069 -11.284 1.00 0.00 C ATOM 172 CD ARG A 10 26.124 -13.377 -12.385 1.00 0.00 C ATOM 173 NE ARG A 10 27.002 -12.233 -12.706 1.00 0.00 N ATOM 174 CZ ARG A 10 28.153 -11.916 -12.142 1.00 0.00 C ATOM 175 NH1 ARG A 10 28.599 -12.447 -11.042 1.00 0.00 N ATOM 176 NH2 ARG A 10 28.891 -11.014 -12.713 1.00 0.00 N ATOM 0 H ARG A 10 21.512 -13.689 -11.188 1.00 0.00 H new ATOM 0 HA ARG A 10 23.404 -11.996 -9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.372 -12.876 -12.581 1.00 0.00 H new ATOM 0 HB3 ARG A 10 24.098 -11.344 -12.138 1.00 0.00 H new ATOM 0 HG2 ARG A 10 25.591 -12.467 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.806 -14.006 -10.813 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.739 -14.222 -12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 10 25.593 -13.683 -13.287 1.00 0.00 H new ATOM 0 HE ARG A 10 26.681 -11.615 -13.451 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.049 -13.157 -10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.499 -12.154 -10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 10 28.577 -10.569 -13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 10 29.785 -10.750 -12.299 1.00 0.00 H new ATOM 190 N ASN A 11 21.643 -10.249 -9.776 1.00 0.00 N ATOM 191 CA ASN A 11 20.931 -8.983 -9.939 1.00 0.00 C ATOM 192 C ASN A 11 21.635 -8.185 -11.040 1.00 0.00 C ATOM 193 O ASN A 11 21.006 -7.884 -12.047 1.00 0.00 O ATOM 194 CB ASN A 11 20.867 -8.206 -8.614 1.00 0.00 C ATOM 195 CG ASN A 11 20.270 -6.820 -8.804 1.00 0.00 C ATOM 196 OD1 ASN A 11 19.087 -6.659 -9.014 1.00 0.00 O ATOM 197 ND2 ASN A 11 21.057 -5.780 -8.802 1.00 0.00 N ATOM 0 H ASN A 11 21.924 -10.454 -8.817 1.00 0.00 H new ATOM 0 HA ASN A 11 19.897 -9.166 -10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.269 -8.764 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 11 21.870 -8.116 -8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 11 20.674 -4.851 -8.975 1.00 0.00 H new ATOM 0 HD22 ASN A 11 22.055 -5.896 -8.627 1.00 0.00 H new ATOM 204 N SER A 12 22.947 -7.979 -10.891 1.00 0.00 N ATOM 205 CA SER A 12 23.852 -7.332 -11.844 1.00 0.00 C ATOM 206 C SER A 12 23.486 -7.502 -13.324 1.00 0.00 C ATOM 207 O SER A 12 23.284 -6.506 -14.020 1.00 0.00 O ATOM 208 CB SER A 12 25.264 -7.874 -11.592 1.00 0.00 C ATOM 209 OG SER A 12 25.297 -9.278 -11.743 1.00 0.00 O ATOM 0 H SER A 12 23.436 -8.279 -10.048 1.00 0.00 H new ATOM 0 HA SER A 12 23.776 -6.259 -11.667 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.965 -7.412 -12.287 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.588 -7.604 -10.587 1.00 0.00 H new ATOM 0 HG SER A 12 26.227 -9.586 -11.738 1.00 0.00 H new ATOM 215 N SER A 13 23.376 -8.747 -13.798 1.00 0.00 N ATOM 216 CA SER A 13 23.086 -9.075 -15.197 1.00 0.00 C ATOM 217 C SER A 13 21.581 -9.171 -15.494 1.00 0.00 C ATOM 218 O SER A 13 21.134 -8.659 -16.519 1.00 0.00 O ATOM 219 CB SER A 13 23.815 -10.368 -15.563 1.00 0.00 C ATOM 220 OG SER A 13 23.242 -11.468 -14.887 1.00 0.00 O ATOM 0 H SER A 13 23.488 -9.571 -13.208 1.00 0.00 H new ATOM 0 HA SER A 13 23.450 -8.258 -15.820 1.00 0.00 H new ATOM 0 HB2 SER A 13 23.764 -10.529 -16.640 1.00 0.00 H new ATOM 0 HB3 SER A 13 24.870 -10.283 -15.303 1.00 0.00 H new ATOM 0 HG SER A 13 23.641 -12.300 -15.219 1.00 0.00 H new ATOM 226 N ARG A 14 20.791 -9.790 -14.601 1.00 0.00 N ATOM 227 CA ARG A 14 19.354 -10.070 -14.791 1.00 0.00 C ATOM 228 C ARG A 14 18.451 -9.109 -14.018 1.00 0.00 C ATOM 229 O ARG A 14 17.834 -8.233 -14.610 1.00 0.00 O ATOM 230 CB ARG A 14 19.062 -11.545 -14.438 1.00 0.00 C ATOM 231 CG ARG A 14 19.506 -12.565 -15.503 1.00 0.00 C ATOM 232 CD ARG A 14 19.421 -13.970 -14.887 1.00 0.00 C ATOM 233 NE ARG A 14 19.341 -15.063 -15.882 1.00 0.00 N ATOM 234 CZ ARG A 14 19.608 -16.341 -15.668 1.00 0.00 C ATOM 235 NH1 ARG A 14 20.290 -16.743 -14.632 1.00 0.00 N ATOM 236 NH2 ARG A 14 19.192 -17.259 -16.488 1.00 0.00 N ATOM 0 H ARG A 14 21.142 -10.119 -13.702 1.00 0.00 H new ATOM 0 HA ARG A 14 19.118 -9.904 -15.842 1.00 0.00 H new ATOM 0 HB2 ARG A 14 19.558 -11.784 -13.497 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.991 -11.659 -14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 14 18.868 -12.497 -16.384 1.00 0.00 H new ATOM 0 HG3 ARG A 14 20.524 -12.354 -15.830 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.295 -14.131 -14.255 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.546 -14.018 -14.239 1.00 0.00 H new ATOM 0 HE ARG A 14 19.052 -14.806 -16.826 1.00 0.00 H new ATOM 0 HH11 ARG A 14 20.636 -16.064 -13.955 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.477 -17.737 -14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.650 -16.999 -17.312 1.00 0.00 H new ATOM 0 HH22 ARG A 14 19.407 -18.240 -16.307 1.00 0.00 H new ATOM 250 N SER A 15 18.349 -9.241 -12.696 1.00 0.00 N ATOM 251 CA SER A 15 17.332 -8.519 -11.911 1.00 0.00 C ATOM 252 C SER A 15 17.439 -6.989 -11.953 1.00 0.00 C ATOM 253 O SER A 15 16.424 -6.317 -12.092 1.00 0.00 O ATOM 254 CB SER A 15 17.254 -9.061 -10.485 1.00 0.00 C ATOM 255 OG SER A 15 17.691 -10.405 -10.402 1.00 0.00 O ATOM 0 H SER A 15 18.957 -9.841 -12.139 1.00 0.00 H new ATOM 0 HA SER A 15 16.385 -8.723 -12.410 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.864 -8.441 -9.828 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.227 -8.991 -10.127 1.00 0.00 H new ATOM 0 HG SER A 15 17.865 -10.635 -9.465 1.00 0.00 H new ATOM 261 N GLN A 16 18.646 -6.435 -11.966 1.00 0.00 N ATOM 262 CA GLN A 16 18.960 -5.021 -12.199 1.00 0.00 C ATOM 263 C GLN A 16 18.293 -4.453 -13.465 1.00 0.00 C ATOM 264 O GLN A 16 17.801 -3.326 -13.464 1.00 0.00 O ATOM 265 CB GLN A 16 20.484 -4.970 -12.344 1.00 0.00 C ATOM 266 CG GLN A 16 21.135 -3.601 -12.215 1.00 0.00 C ATOM 267 CD GLN A 16 21.534 -3.326 -10.765 1.00 0.00 C ATOM 268 OE1 GLN A 16 20.622 -3.044 -9.869 1.00 0.00 O flip ATOM 269 NE2 GLN A 16 22.696 -3.434 -10.405 1.00 0.00 N flip ATOM 0 H GLN A 16 19.486 -6.991 -11.805 1.00 0.00 H new ATOM 0 HA GLN A 16 18.583 -4.412 -11.377 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.920 -5.627 -11.591 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.748 -5.382 -13.318 1.00 0.00 H new ATOM 0 HG2 GLN A 16 22.015 -3.550 -12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 16 20.445 -2.831 -12.560 1.00 0.00 H new ATOM 0 HE21 GLN A 16 23.423 -3.653 -11.086 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.940 -3.305 -9.423 1.00 0.00 H new ATOM 278 N MET A 17 18.209 -5.242 -14.541 1.00 0.00 N ATOM 279 CA MET A 17 17.582 -4.837 -15.809 1.00 0.00 C ATOM 280 C MET A 17 16.072 -4.625 -15.638 1.00 0.00 C ATOM 281 O MET A 17 15.534 -3.589 -16.021 1.00 0.00 O ATOM 282 CB MET A 17 17.892 -5.928 -16.841 1.00 0.00 C ATOM 283 CG MET A 17 17.416 -5.658 -18.262 1.00 0.00 C ATOM 284 SD MET A 17 17.832 -7.034 -19.356 1.00 0.00 S ATOM 285 CE MET A 17 19.627 -6.802 -19.511 1.00 0.00 C ATOM 0 H MET A 17 18.578 -6.193 -14.559 1.00 0.00 H new ATOM 0 HA MET A 17 17.983 -3.881 -16.147 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.971 -6.083 -16.864 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.443 -6.861 -16.500 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.338 -5.500 -18.264 1.00 0.00 H new ATOM 0 HG3 MET A 17 17.873 -4.741 -18.635 1.00 0.00 H new ATOM 0 HE1 MET A 17 19.969 -7.228 -20.455 1.00 0.00 H new ATOM 0 HE2 MET A 17 19.860 -5.737 -19.488 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.131 -7.302 -18.684 1.00 0.00 H new ATOM 295 N ALA A 18 15.396 -5.563 -14.968 1.00 0.00 N ATOM 296 CA ALA A 18 14.003 -5.401 -14.545 1.00 0.00 C ATOM 297 C ALA A 18 13.853 -4.320 -13.464 1.00 0.00 C ATOM 298 O ALA A 18 12.779 -3.744 -13.359 1.00 0.00 O ATOM 299 CB ALA A 18 13.483 -6.756 -14.052 1.00 0.00 C ATOM 0 H ALA A 18 15.802 -6.460 -14.703 1.00 0.00 H new ATOM 0 HA ALA A 18 13.410 -5.065 -15.395 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.446 -6.653 -13.733 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.544 -7.485 -14.860 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.089 -7.095 -13.212 1.00 0.00 H new ATOM 305 N GLU A 19 14.902 -3.965 -12.710 1.00 0.00 N ATOM 306 CA GLU A 19 14.776 -2.942 -11.665 1.00 0.00 C ATOM 307 C GLU A 19 14.664 -1.588 -12.331 1.00 0.00 C ATOM 308 O GLU A 19 13.698 -0.866 -12.124 1.00 0.00 O ATOM 309 CB GLU A 19 15.990 -2.947 -10.727 1.00 0.00 C ATOM 310 CG GLU A 19 15.680 -2.252 -9.394 1.00 0.00 C ATOM 311 CD GLU A 19 16.791 -2.525 -8.358 1.00 0.00 C ATOM 312 OE1 GLU A 19 17.958 -2.744 -8.759 1.00 0.00 O ATOM 313 OE2 GLU A 19 16.481 -2.493 -7.142 1.00 0.00 O ATOM 0 H GLU A 19 15.836 -4.365 -12.802 1.00 0.00 H new ATOM 0 HA GLU A 19 13.890 -3.157 -11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.300 -3.975 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.827 -2.446 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.582 -1.178 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.724 -2.606 -9.009 1.00 0.00 H new ATOM 320 N GLY A 20 15.626 -1.294 -13.208 1.00 0.00 N ATOM 321 CA GLY A 20 15.668 -0.078 -13.995 1.00 0.00 C ATOM 322 C GLY A 20 14.402 0.124 -14.822 1.00 0.00 C ATOM 323 O GLY A 20 13.776 1.173 -14.709 1.00 0.00 O ATOM 0 H GLY A 20 16.414 -1.916 -13.389 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.806 0.776 -13.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.532 -0.108 -14.659 1.00 0.00 H new ATOM 327 N PHE A 21 13.960 -0.885 -15.581 1.00 0.00 N ATOM 328 CA PHE A 21 12.707 -0.769 -16.341 1.00 0.00 C ATOM 329 C PHE A 21 11.465 -0.673 -15.443 1.00 0.00 C ATOM 330 O PHE A 21 10.596 0.145 -15.718 1.00 0.00 O ATOM 331 CB PHE A 21 12.558 -1.942 -17.322 1.00 0.00 C ATOM 332 CG PHE A 21 13.066 -1.728 -18.734 1.00 0.00 C ATOM 333 CD1 PHE A 21 12.424 -0.778 -19.552 1.00 0.00 C ATOM 334 CD2 PHE A 21 14.092 -2.530 -19.270 1.00 0.00 C ATOM 335 CE1 PHE A 21 12.816 -0.616 -20.892 1.00 0.00 C ATOM 336 CE2 PHE A 21 14.483 -2.367 -20.609 1.00 0.00 C ATOM 337 CZ PHE A 21 13.845 -1.414 -21.421 1.00 0.00 C ATOM 0 H PHE A 21 14.441 -1.778 -15.686 1.00 0.00 H new ATOM 0 HA PHE A 21 12.771 0.167 -16.897 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.078 -2.803 -16.902 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.502 -2.204 -17.378 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.627 -0.171 -19.148 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.578 -3.270 -18.652 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.328 0.120 -21.514 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.277 -2.976 -21.016 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.145 -1.295 -22.452 1.00 0.00 H new ATOM 347 N ALA A 22 11.353 -1.442 -14.351 1.00 0.00 N ATOM 348 CA ALA A 22 10.169 -1.344 -13.484 1.00 0.00 C ATOM 349 C ALA A 22 10.101 0.047 -12.840 1.00 0.00 C ATOM 350 O ALA A 22 9.029 0.635 -12.714 1.00 0.00 O ATOM 351 CB ALA A 22 10.198 -2.460 -12.430 1.00 0.00 C ATOM 0 H ALA A 22 12.050 -2.124 -14.051 1.00 0.00 H new ATOM 0 HA ALA A 22 9.267 -1.475 -14.082 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.318 -2.381 -11.792 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.199 -3.430 -12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.097 -2.363 -11.822 1.00 0.00 H new ATOM 357 N LYS A 23 11.268 0.602 -12.502 1.00 0.00 N ATOM 358 CA LYS A 23 11.439 1.941 -11.941 1.00 0.00 C ATOM 359 C LYS A 23 10.999 2.991 -12.958 1.00 0.00 C ATOM 360 O LYS A 23 10.043 3.708 -12.694 1.00 0.00 O ATOM 361 CB LYS A 23 12.908 2.041 -11.491 1.00 0.00 C ATOM 362 CG LYS A 23 13.270 3.240 -10.622 1.00 0.00 C ATOM 363 CD LYS A 23 14.747 3.081 -10.201 1.00 0.00 C ATOM 364 CE LYS A 23 15.359 4.363 -9.617 1.00 0.00 C ATOM 365 NZ LYS A 23 14.785 4.746 -8.290 1.00 0.00 N ATOM 0 H LYS A 23 12.154 0.109 -12.617 1.00 0.00 H new ATOM 0 HA LYS A 23 10.809 2.128 -11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.160 1.133 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.537 2.061 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.127 4.170 -11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.624 3.286 -9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.822 2.283 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.332 2.770 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.436 4.228 -9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.207 5.182 -10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.241 5.618 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.762 4.906 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.953 3.981 -7.606 1.00 0.00 H new ATOM 379 N THR A 24 11.546 3.016 -14.169 1.00 0.00 N ATOM 380 CA THR A 24 11.153 4.021 -15.165 1.00 0.00 C ATOM 381 C THR A 24 9.742 3.832 -15.734 1.00 0.00 C ATOM 382 O THR A 24 9.199 4.777 -16.310 1.00 0.00 O ATOM 383 CB THR A 24 12.182 4.128 -16.285 1.00 0.00 C ATOM 384 OG1 THR A 24 12.309 2.893 -16.953 1.00 0.00 O ATOM 385 CG2 THR A 24 13.536 4.542 -15.726 1.00 0.00 C ATOM 0 H THR A 24 12.258 2.359 -14.488 1.00 0.00 H new ATOM 0 HA THR A 24 11.125 4.964 -14.619 1.00 0.00 H new ATOM 0 HB THR A 24 11.840 4.885 -16.990 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.827 2.273 -16.398 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.259 4.614 -16.539 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.446 5.511 -15.234 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.874 3.799 -15.004 1.00 0.00 H new ATOM 393 N LEU A 25 9.105 2.671 -15.514 1.00 0.00 N ATOM 394 CA LEU A 25 7.709 2.420 -15.887 1.00 0.00 C ATOM 395 C LEU A 25 6.705 2.625 -14.730 1.00 0.00 C ATOM 396 O LEU A 25 5.499 2.571 -14.976 1.00 0.00 O ATOM 397 CB LEU A 25 7.595 1.009 -16.505 1.00 0.00 C ATOM 398 CG LEU A 25 8.325 0.849 -17.858 1.00 0.00 C ATOM 399 CD1 LEU A 25 8.499 -0.637 -18.171 1.00 0.00 C ATOM 400 CD2 LEU A 25 7.545 1.503 -18.999 1.00 0.00 C ATOM 0 H LEU A 25 9.553 1.872 -15.066 1.00 0.00 H new ATOM 0 HA LEU A 25 7.428 3.169 -16.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.997 0.282 -15.800 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.541 0.769 -16.643 1.00 0.00 H new ATOM 0 HG LEU A 25 9.294 1.341 -17.774 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.014 -0.750 -19.125 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.087 -1.108 -17.383 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.520 -1.114 -18.228 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.089 1.370 -19.934 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.563 1.038 -19.081 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.427 2.567 -18.796 1.00 0.00 H new ATOM 412 N GLY A 26 7.156 2.862 -13.486 1.00 0.00 N ATOM 413 CA GLY A 26 6.260 2.896 -12.312 1.00 0.00 C ATOM 414 C GLY A 26 6.755 3.553 -11.016 1.00 0.00 C ATOM 415 O GLY A 26 6.062 3.453 -10.005 1.00 0.00 O ATOM 0 H GLY A 26 8.137 3.033 -13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.345 3.407 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.988 1.867 -12.076 1.00 0.00 H new ATOM 419 N ALA A 27 7.899 4.246 -11.012 1.00 0.00 N ATOM 420 CA ALA A 27 8.535 4.821 -9.811 1.00 0.00 C ATOM 421 C ALA A 27 7.642 5.804 -9.023 1.00 0.00 C ATOM 422 O ALA A 27 7.770 5.911 -7.801 1.00 0.00 O ATOM 423 CB ALA A 27 9.835 5.516 -10.255 1.00 0.00 C ATOM 0 H ALA A 27 8.426 4.430 -11.865 1.00 0.00 H new ATOM 0 HA ALA A 27 8.728 4.003 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.329 5.952 -9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.497 4.786 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.600 6.303 -10.972 1.00 0.00 H new ATOM 429 N GLY A 28 6.720 6.496 -9.703 1.00 0.00 N ATOM 430 CA GLY A 28 5.748 7.406 -9.074 1.00 0.00 C ATOM 431 C GLY A 28 4.532 6.713 -8.434 1.00 0.00 C ATOM 432 O GLY A 28 3.745 7.380 -7.758 1.00 0.00 O ATOM 0 H GLY A 28 6.625 6.441 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.260 7.989 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.392 8.110 -9.826 1.00 0.00 H new ATOM 436 N LYS A 29 4.349 5.398 -8.656 1.00 0.00 N ATOM 437 CA LYS A 29 3.150 4.632 -8.251 1.00 0.00 C ATOM 438 C LYS A 29 3.398 3.807 -6.987 1.00 0.00 C ATOM 439 O LYS A 29 2.738 3.996 -5.968 1.00 0.00 O ATOM 440 CB LYS A 29 2.652 3.725 -9.404 1.00 0.00 C ATOM 441 CG LYS A 29 2.626 4.364 -10.803 1.00 0.00 C ATOM 442 CD LYS A 29 1.864 5.694 -10.881 1.00 0.00 C ATOM 443 CE LYS A 29 0.362 5.534 -10.595 1.00 0.00 C ATOM 444 NZ LYS A 29 -0.363 6.832 -10.709 1.00 0.00 N ATOM 0 H LYS A 29 5.045 4.824 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 29 2.371 5.359 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.286 2.840 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.645 3.385 -9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.652 4.528 -11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.175 3.660 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.293 6.396 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.997 6.127 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.067 4.815 -11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.224 5.127 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.373 6.684 -10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.030 7.510 -10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.252 7.208 -11.672 1.00 0.00 H new ATOM 458 N ILE A 30 4.372 2.901 -7.091 1.00 0.00 N ATOM 459 CA ILE A 30 4.828 1.959 -6.046 1.00 0.00 C ATOM 460 C ILE A 30 6.365 1.844 -6.057 1.00 0.00 C ATOM 461 O ILE A 30 7.023 2.383 -6.947 1.00 0.00 O ATOM 462 CB ILE A 30 4.113 0.580 -6.177 1.00 0.00 C ATOM 463 CG1 ILE A 30 4.309 -0.166 -7.519 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.601 0.742 -5.949 1.00 0.00 C ATOM 465 CD1 ILE A 30 5.685 -0.819 -7.693 1.00 0.00 C ATOM 0 H ILE A 30 4.901 2.792 -7.956 1.00 0.00 H new ATOM 0 HA ILE A 30 4.546 2.353 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 30 4.592 -0.032 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.543 -0.936 -7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.149 0.537 -8.337 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.113 -0.228 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.424 1.142 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.192 1.427 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.731 -1.318 -8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.460 -0.054 -7.642 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.844 -1.550 -6.900 1.00 0.00 H new ATOM 477 N ALA A 31 6.953 1.118 -5.097 1.00 0.00 N ATOM 478 CA ALA A 31 8.394 0.880 -5.068 1.00 0.00 C ATOM 479 C ALA A 31 8.739 -0.450 -5.725 1.00 0.00 C ATOM 480 O ALA A 31 8.193 -1.501 -5.382 1.00 0.00 O ATOM 481 CB ALA A 31 8.937 0.926 -3.642 1.00 0.00 C ATOM 0 H ALA A 31 6.444 0.684 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 31 8.869 1.680 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.012 0.745 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.740 1.907 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.448 0.159 -3.041 1.00 0.00 H new ATOM 487 N VAL A 32 9.688 -0.402 -6.648 1.00 0.00 N ATOM 488 CA VAL A 32 10.303 -1.573 -7.240 1.00 0.00 C ATOM 489 C VAL A 32 11.673 -1.828 -6.617 1.00 0.00 C ATOM 490 O VAL A 32 12.390 -0.889 -6.260 1.00 0.00 O ATOM 491 CB VAL A 32 10.392 -1.396 -8.755 1.00 0.00 C ATOM 492 CG1 VAL A 32 9.107 -0.804 -9.351 1.00 0.00 C ATOM 493 CG2 VAL A 32 11.593 -0.579 -9.244 1.00 0.00 C ATOM 0 H VAL A 32 10.058 0.476 -7.013 1.00 0.00 H new ATOM 0 HA VAL A 32 9.688 -2.450 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 32 10.534 -2.415 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.221 -0.698 -10.430 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.268 -1.467 -9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.918 0.174 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.568 -0.510 -10.332 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.550 0.422 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.516 -1.068 -8.933 1.00 0.00 H new ATOM 503 N THR A 33 12.064 -3.092 -6.534 1.00 0.00 N ATOM 504 CA THR A 33 13.395 -3.510 -6.090 1.00 0.00 C ATOM 505 C THR A 33 13.824 -4.778 -6.820 1.00 0.00 C ATOM 506 O THR A 33 12.987 -5.519 -7.331 1.00 0.00 O ATOM 507 CB THR A 33 13.458 -3.693 -4.560 1.00 0.00 C ATOM 508 OG1 THR A 33 12.751 -2.685 -3.859 1.00 0.00 O ATOM 509 CG2 THR A 33 14.892 -3.641 -4.019 1.00 0.00 C ATOM 0 H THR A 33 11.456 -3.874 -6.777 1.00 0.00 H new ATOM 0 HA THR A 33 14.097 -2.715 -6.341 1.00 0.00 H new ATOM 0 HB THR A 33 13.010 -4.673 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.711 -2.915 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.878 -3.775 -2.937 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.482 -4.436 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.337 -2.675 -4.259 1.00 0.00 H new ATOM 517 N SER A 34 15.122 -5.020 -6.889 1.00 0.00 N ATOM 518 CA SER A 34 15.704 -6.269 -7.378 1.00 0.00 C ATOM 519 C SER A 34 16.849 -6.812 -6.514 1.00 0.00 C ATOM 520 O SER A 34 17.563 -6.065 -5.835 1.00 0.00 O ATOM 521 CB SER A 34 16.177 -6.099 -8.806 1.00 0.00 C ATOM 522 OG SER A 34 15.067 -5.835 -9.644 1.00 0.00 O ATOM 0 H SER A 34 15.823 -4.338 -6.600 1.00 0.00 H new ATOM 0 HA SER A 34 14.906 -7.009 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.895 -5.281 -8.867 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.691 -7.000 -9.139 1.00 0.00 H new ATOM 0 HG SER A 34 15.330 -5.948 -10.581 1.00 0.00 H new ATOM 528 N SER A 35 17.018 -8.138 -6.539 1.00 0.00 N ATOM 529 CA SER A 35 17.895 -8.916 -5.663 1.00 0.00 C ATOM 530 C SER A 35 18.375 -10.205 -6.335 1.00 0.00 C ATOM 531 O SER A 35 18.028 -10.498 -7.485 1.00 0.00 O ATOM 532 CB SER A 35 17.140 -9.241 -4.357 1.00 0.00 C ATOM 533 OG SER A 35 16.067 -10.133 -4.613 1.00 0.00 O ATOM 0 H SER A 35 16.520 -8.727 -7.206 1.00 0.00 H new ATOM 0 HA SER A 35 18.781 -8.320 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.825 -9.685 -3.635 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.759 -8.322 -3.912 1.00 0.00 H new ATOM 0 HG SER A 35 15.599 -10.331 -3.775 1.00 0.00 H new ATOM 539 N GLY A 36 19.196 -10.994 -5.639 1.00 0.00 N ATOM 540 CA GLY A 36 19.524 -12.339 -6.112 1.00 0.00 C ATOM 541 C GLY A 36 20.459 -13.147 -5.212 1.00 0.00 C ATOM 542 O GLY A 36 20.859 -12.681 -4.151 1.00 0.00 O ATOM 0 H GLY A 36 19.640 -10.730 -4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.596 -12.897 -6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.980 -12.256 -7.098 1.00 0.00 H new ATOM 546 N LEU A 37 20.800 -14.373 -5.627 1.00 0.00 N ATOM 547 CA LEU A 37 21.597 -15.325 -4.820 1.00 0.00 C ATOM 548 C LEU A 37 23.032 -14.812 -4.567 1.00 0.00 C ATOM 549 O LEU A 37 23.477 -14.728 -3.424 1.00 0.00 O ATOM 550 CB LEU A 37 21.637 -16.720 -5.489 1.00 0.00 C ATOM 551 CG LEU A 37 20.284 -17.363 -5.864 1.00 0.00 C ATOM 552 CD1 LEU A 37 20.518 -18.739 -6.483 1.00 0.00 C ATOM 553 CD2 LEU A 37 19.369 -17.524 -4.654 1.00 0.00 C ATOM 0 H LEU A 37 20.532 -14.742 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 37 21.102 -15.413 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.237 -16.642 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.160 -17.401 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 37 19.799 -16.696 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.560 -19.188 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.128 -18.635 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.033 -19.378 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.430 -17.980 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.853 -18.161 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.169 -16.546 -4.216 1.00 0.00 H new ATOM 565 N GLU A 38 23.730 -14.430 -5.641 1.00 0.00 N ATOM 566 CA GLU A 38 25.021 -13.723 -5.616 1.00 0.00 C ATOM 567 C GLU A 38 24.812 -12.203 -5.635 1.00 0.00 C ATOM 568 O GLU A 38 25.506 -11.473 -4.929 1.00 0.00 O ATOM 569 CB GLU A 38 25.845 -14.222 -6.814 1.00 0.00 C ATOM 570 CG GLU A 38 27.256 -13.632 -6.887 1.00 0.00 C ATOM 571 CD GLU A 38 28.063 -14.302 -8.016 1.00 0.00 C ATOM 572 OE1 GLU A 38 27.641 -14.221 -9.195 1.00 0.00 O ATOM 573 OE2 GLU A 38 29.131 -14.898 -7.734 1.00 0.00 O ATOM 0 H GLU A 38 23.401 -14.610 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 38 25.564 -13.935 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.918 -15.308 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.313 -13.980 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.199 -12.558 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.766 -13.774 -5.934 1.00 0.00 H new ATOM 580 N SER A 39 23.815 -11.738 -6.403 1.00 0.00 N ATOM 581 CA SER A 39 23.431 -10.332 -6.630 1.00 0.00 C ATOM 582 C SER A 39 24.488 -9.446 -7.310 1.00 0.00 C ATOM 583 O SER A 39 24.191 -8.793 -8.310 1.00 0.00 O ATOM 584 CB SER A 39 22.859 -9.723 -5.346 1.00 0.00 C ATOM 585 OG SER A 39 21.876 -8.776 -5.714 1.00 0.00 O ATOM 0 H SER A 39 23.212 -12.378 -6.919 1.00 0.00 H new ATOM 0 HA SER A 39 22.644 -10.360 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.424 -10.499 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 39 23.649 -9.247 -4.765 1.00 0.00 H new ATOM 0 HG SER A 39 21.153 -8.781 -5.053 1.00 0.00 H new ATOM 591 N SER A 40 25.737 -9.511 -6.856 1.00 0.00 N ATOM 592 CA SER A 40 26.925 -8.853 -7.421 1.00 0.00 C ATOM 593 C SER A 40 26.849 -7.302 -7.380 1.00 0.00 C ATOM 594 O SER A 40 26.693 -6.748 -6.292 1.00 0.00 O ATOM 595 CB SER A 40 27.281 -9.506 -8.764 1.00 0.00 C ATOM 596 OG SER A 40 28.450 -8.924 -9.317 1.00 0.00 O ATOM 0 H SER A 40 25.968 -10.060 -6.028 1.00 0.00 H new ATOM 0 HA SER A 40 27.789 -9.027 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.435 -10.576 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.450 -9.392 -9.460 1.00 0.00 H new ATOM 0 HG SER A 40 28.658 -9.357 -10.171 1.00 0.00 H new ATOM 602 N ARG A 41 26.984 -6.585 -8.514 1.00 0.00 N ATOM 603 CA ARG A 41 27.115 -5.100 -8.615 1.00 0.00 C ATOM 604 C ARG A 41 26.412 -4.499 -9.845 1.00 0.00 C ATOM 605 O ARG A 41 25.875 -5.239 -10.657 1.00 0.00 O ATOM 606 CB ARG A 41 28.626 -4.770 -8.624 1.00 0.00 C ATOM 607 CG ARG A 41 29.315 -5.051 -9.982 1.00 0.00 C ATOM 608 CD ARG A 41 30.721 -5.635 -9.798 1.00 0.00 C ATOM 609 NE ARG A 41 30.641 -7.007 -9.249 1.00 0.00 N ATOM 610 CZ ARG A 41 31.581 -7.691 -8.623 1.00 0.00 C ATOM 611 NH1 ARG A 41 32.785 -7.228 -8.449 1.00 0.00 N ATOM 612 NH2 ARG A 41 31.303 -8.876 -8.161 1.00 0.00 N ATOM 0 H ARG A 41 27.007 -7.035 -9.429 1.00 0.00 H new ATOM 0 HA ARG A 41 26.613 -4.648 -7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.761 -3.719 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 41 29.121 -5.353 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 41 28.706 -5.745 -10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 41 29.378 -4.126 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 41 31.244 -5.649 -10.754 1.00 0.00 H new ATOM 0 HD3 ARG A 41 31.300 -5.001 -9.127 1.00 0.00 H new ATOM 0 HE ARG A 41 29.748 -7.484 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 41 33.032 -6.304 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 41 33.482 -7.790 -7.959 1.00 0.00 H new ATOM 0 HH21 ARG A 41 30.368 -9.265 -8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 41 32.020 -9.415 -7.675 1.00 0.00 H new ATOM 626 N VAL A 42 26.489 -3.185 -10.063 1.00 0.00 N ATOM 627 CA VAL A 42 26.044 -2.543 -11.314 1.00 0.00 C ATOM 628 C VAL A 42 26.921 -3.021 -12.486 1.00 0.00 C ATOM 629 O VAL A 42 28.121 -2.757 -12.537 1.00 0.00 O ATOM 630 CB VAL A 42 25.997 -1.008 -11.138 1.00 0.00 C ATOM 631 CG1 VAL A 42 24.993 -0.649 -10.037 1.00 0.00 C ATOM 632 CG2 VAL A 42 27.330 -0.350 -10.740 1.00 0.00 C ATOM 0 H VAL A 42 26.862 -2.528 -9.378 1.00 0.00 H new ATOM 0 HA VAL A 42 25.025 -2.843 -11.558 1.00 0.00 H new ATOM 0 HB VAL A 42 25.721 -0.630 -12.123 1.00 0.00 H new ATOM 0 HG11 VAL A 42 24.960 0.433 -9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 42 24.004 -1.013 -10.314 1.00 0.00 H new ATOM 0 HG13 VAL A 42 25.300 -1.112 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 42 27.189 0.726 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.668 -0.760 -9.788 1.00 0.00 H new ATOM 0 HG23 VAL A 42 28.078 -0.550 -11.507 1.00 0.00 H new ATOM 642 N HIS A 43 26.346 -3.805 -13.406 1.00 0.00 N ATOM 643 CA HIS A 43 27.113 -4.513 -14.449 1.00 0.00 C ATOM 644 C HIS A 43 27.537 -3.596 -15.610 1.00 0.00 C ATOM 645 O HIS A 43 26.699 -2.824 -16.075 1.00 0.00 O ATOM 646 CB HIS A 43 26.282 -5.701 -14.947 1.00 0.00 C ATOM 647 CG HIS A 43 26.993 -6.588 -15.923 1.00 0.00 C ATOM 648 ND1 HIS A 43 27.050 -6.403 -17.303 1.00 0.00 N ATOM 649 CD2 HIS A 43 27.686 -7.708 -15.585 1.00 0.00 C ATOM 650 CE1 HIS A 43 27.767 -7.445 -17.769 1.00 0.00 C ATOM 651 NE2 HIS A 43 28.176 -8.225 -16.758 1.00 0.00 N ATOM 0 H HIS A 43 25.340 -3.969 -13.452 1.00 0.00 H new ATOM 0 HA HIS A 43 28.044 -4.869 -14.008 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.974 -6.299 -14.089 1.00 0.00 H new ATOM 0 HB3 HIS A 43 25.373 -5.322 -15.414 1.00 0.00 H new ATOM 0 HD2 HIS A 43 27.823 -8.110 -14.592 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.982 -7.626 -18.812 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.754 -9.061 -16.846 1.00 0.00 H new ATOM 659 N PRO A 44 28.777 -3.684 -16.138 1.00 0.00 N ATOM 660 CA PRO A 44 29.283 -2.777 -17.180 1.00 0.00 C ATOM 661 C PRO A 44 28.430 -2.763 -18.455 1.00 0.00 C ATOM 662 O PRO A 44 28.113 -1.692 -18.978 1.00 0.00 O ATOM 663 CB PRO A 44 30.712 -3.258 -17.477 1.00 0.00 C ATOM 664 CG PRO A 44 30.718 -4.713 -17.004 1.00 0.00 C ATOM 665 CD PRO A 44 29.818 -4.641 -15.780 1.00 0.00 C ATOM 0 HA PRO A 44 29.250 -1.747 -16.826 1.00 0.00 H new ATOM 0 HB2 PRO A 44 30.946 -3.182 -18.539 1.00 0.00 H new ATOM 0 HB3 PRO A 44 31.453 -2.662 -16.944 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.326 -5.392 -17.761 1.00 0.00 H new ATOM 0 HG3 PRO A 44 31.721 -5.059 -16.755 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.394 -5.617 -15.543 1.00 0.00 H new ATOM 0 HD3 PRO A 44 30.372 -4.312 -14.901 1.00 0.00 H new ATOM 673 N THR A 45 27.998 -3.935 -18.933 1.00 0.00 N ATOM 674 CA THR A 45 27.163 -4.050 -20.140 1.00 0.00 C ATOM 675 C THR A 45 25.720 -3.640 -19.843 1.00 0.00 C ATOM 676 O THR A 45 25.072 -3.027 -20.689 1.00 0.00 O ATOM 677 CB THR A 45 27.229 -5.471 -20.727 1.00 0.00 C ATOM 678 OG1 THR A 45 28.553 -5.972 -20.727 1.00 0.00 O ATOM 679 CG2 THR A 45 26.720 -5.545 -22.165 1.00 0.00 C ATOM 0 H THR A 45 28.215 -4.831 -18.497 1.00 0.00 H new ATOM 0 HA THR A 45 27.559 -3.365 -20.890 1.00 0.00 H new ATOM 0 HB THR A 45 26.586 -6.070 -20.083 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.561 -6.876 -21.104 1.00 0.00 H new ATOM 0 HG21 THR A 45 26.791 -6.572 -22.524 1.00 0.00 H new ATOM 0 HG22 THR A 45 25.680 -5.220 -22.200 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.325 -4.896 -22.799 1.00 0.00 H new ATOM 687 N ALA A 46 25.226 -3.863 -18.620 1.00 0.00 N ATOM 688 CA ALA A 46 23.924 -3.337 -18.208 1.00 0.00 C ATOM 689 C ALA A 46 23.919 -1.802 -18.100 1.00 0.00 C ATOM 690 O ALA A 46 22.998 -1.188 -18.615 1.00 0.00 O ATOM 691 CB ALA A 46 23.469 -4.017 -16.915 1.00 0.00 C ATOM 0 H ALA A 46 25.708 -4.403 -17.901 1.00 0.00 H new ATOM 0 HA ALA A 46 23.200 -3.575 -18.987 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.499 -3.619 -16.616 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.385 -5.091 -17.079 1.00 0.00 H new ATOM 0 HB3 ALA A 46 24.198 -3.826 -16.127 1.00 0.00 H new ATOM 697 N ILE A 47 24.939 -1.140 -17.530 1.00 0.00 N ATOM 698 CA ILE A 47 25.001 0.338 -17.501 1.00 0.00 C ATOM 699 C ILE A 47 24.892 0.896 -18.933 1.00 0.00 C ATOM 700 O ILE A 47 24.123 1.827 -19.157 1.00 0.00 O ATOM 701 CB ILE A 47 26.275 0.835 -16.765 1.00 0.00 C ATOM 702 CG1 ILE A 47 26.324 0.363 -15.291 1.00 0.00 C ATOM 703 CG2 ILE A 47 26.323 2.374 -16.751 1.00 0.00 C ATOM 704 CD1 ILE A 47 27.740 0.377 -14.703 1.00 0.00 C ATOM 0 H ILE A 47 25.732 -1.600 -17.083 1.00 0.00 H new ATOM 0 HA ILE A 47 24.153 0.718 -16.932 1.00 0.00 H new ATOM 0 HB ILE A 47 27.122 0.416 -17.309 1.00 0.00 H new ATOM 0 HG12 ILE A 47 25.680 1.004 -14.689 1.00 0.00 H new ATOM 0 HG13 ILE A 47 25.919 -0.647 -15.225 1.00 0.00 H new ATOM 0 HG21 ILE A 47 27.222 2.705 -16.231 1.00 0.00 H new ATOM 0 HG22 ILE A 47 26.338 2.747 -17.775 1.00 0.00 H new ATOM 0 HG23 ILE A 47 25.443 2.761 -16.237 1.00 0.00 H new ATOM 0 HD11 ILE A 47 27.708 0.036 -13.668 1.00 0.00 H new ATOM 0 HD12 ILE A 47 28.382 -0.286 -15.284 1.00 0.00 H new ATOM 0 HD13 ILE A 47 28.139 1.391 -14.739 1.00 0.00 H new ATOM 716 N ALA A 48 25.546 0.264 -19.916 1.00 0.00 N ATOM 717 CA ALA A 48 25.418 0.614 -21.333 1.00 0.00 C ATOM 718 C ALA A 48 24.001 0.388 -21.897 1.00 0.00 C ATOM 719 O ALA A 48 23.335 1.333 -22.322 1.00 0.00 O ATOM 720 CB ALA A 48 26.467 -0.169 -22.130 1.00 0.00 C ATOM 0 H ALA A 48 26.185 -0.513 -19.746 1.00 0.00 H new ATOM 0 HA ALA A 48 25.594 1.685 -21.430 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.383 0.082 -23.187 1.00 0.00 H new ATOM 0 HB2 ALA A 48 27.464 0.091 -21.773 1.00 0.00 H new ATOM 0 HB3 ALA A 48 26.302 -1.238 -21.997 1.00 0.00 H new ATOM 726 N MET A 49 23.524 -0.863 -21.902 1.00 0.00 N ATOM 727 CA MET A 49 22.242 -1.242 -22.513 1.00 0.00 C ATOM 728 C MET A 49 21.006 -0.741 -21.752 1.00 0.00 C ATOM 729 O MET A 49 19.908 -0.789 -22.294 1.00 0.00 O ATOM 730 CB MET A 49 22.156 -2.758 -22.717 1.00 0.00 C ATOM 731 CG MET A 49 22.896 -3.266 -23.962 1.00 0.00 C ATOM 732 SD MET A 49 24.703 -3.164 -23.945 1.00 0.00 S ATOM 733 CE MET A 49 24.970 -1.688 -24.958 1.00 0.00 C ATOM 0 H MET A 49 24.020 -1.647 -21.479 1.00 0.00 H new ATOM 0 HA MET A 49 22.228 -0.738 -23.480 1.00 0.00 H new ATOM 0 HB2 MET A 49 22.563 -3.256 -21.837 1.00 0.00 H new ATOM 0 HB3 MET A 49 21.107 -3.045 -22.789 1.00 0.00 H new ATOM 0 HG2 MET A 49 22.617 -4.308 -24.120 1.00 0.00 H new ATOM 0 HG3 MET A 49 22.533 -2.705 -24.824 1.00 0.00 H new ATOM 0 HE1 MET A 49 26.023 -1.410 -24.926 1.00 0.00 H new ATOM 0 HE2 MET A 49 24.681 -1.897 -25.988 1.00 0.00 H new ATOM 0 HE3 MET A 49 24.366 -0.867 -24.571 1.00 0.00 H new ATOM 743 N MET A 50 21.156 -0.243 -20.528 1.00 0.00 N ATOM 744 CA MET A 50 20.077 0.417 -19.792 1.00 0.00 C ATOM 745 C MET A 50 20.103 1.933 -20.051 1.00 0.00 C ATOM 746 O MET A 50 19.063 2.511 -20.374 1.00 0.00 O ATOM 747 CB MET A 50 20.138 -0.002 -18.312 1.00 0.00 C ATOM 748 CG MET A 50 20.019 -1.530 -18.156 1.00 0.00 C ATOM 749 SD MET A 50 18.473 -2.252 -18.764 1.00 0.00 S ATOM 750 CE MET A 50 17.301 -1.542 -17.592 1.00 0.00 C ATOM 0 H MET A 50 22.036 -0.285 -20.013 1.00 0.00 H new ATOM 0 HA MET A 50 19.099 0.094 -20.149 1.00 0.00 H new ATOM 0 HB2 MET A 50 21.076 0.338 -17.874 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.334 0.485 -17.761 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.851 -1.998 -18.682 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.127 -1.781 -17.101 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.350 -2.070 -17.664 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.694 -1.639 -16.580 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.149 -0.488 -17.823 1.00 0.00 H new ATOM 760 N GLU A 51 21.275 2.580 -20.060 1.00 0.00 N ATOM 761 CA GLU A 51 21.393 4.003 -20.422 1.00 0.00 C ATOM 762 C GLU A 51 20.919 4.287 -21.858 1.00 0.00 C ATOM 763 O GLU A 51 20.249 5.296 -22.085 1.00 0.00 O ATOM 764 CB GLU A 51 22.842 4.473 -20.216 1.00 0.00 C ATOM 765 CG GLU A 51 23.149 5.911 -20.668 1.00 0.00 C ATOM 766 CD GLU A 51 22.259 6.998 -20.023 1.00 0.00 C ATOM 767 OE1 GLU A 51 21.799 6.837 -18.867 1.00 0.00 O ATOM 768 OE2 GLU A 51 22.043 8.054 -20.668 1.00 0.00 O ATOM 0 H GLU A 51 22.163 2.139 -19.819 1.00 0.00 H new ATOM 0 HA GLU A 51 20.734 4.569 -19.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.086 4.385 -19.157 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.504 3.794 -20.753 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.192 6.133 -20.441 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.040 5.967 -21.751 1.00 0.00 H new ATOM 775 N GLU A 52 21.183 3.387 -22.816 1.00 0.00 N ATOM 776 CA GLU A 52 20.742 3.551 -24.213 1.00 0.00 C ATOM 777 C GLU A 52 19.206 3.635 -24.363 1.00 0.00 C ATOM 778 O GLU A 52 18.712 4.248 -25.312 1.00 0.00 O ATOM 779 CB GLU A 52 21.331 2.435 -25.100 1.00 0.00 C ATOM 780 CG GLU A 52 20.568 1.106 -25.027 1.00 0.00 C ATOM 781 CD GLU A 52 21.275 -0.063 -25.733 1.00 0.00 C ATOM 782 OE1 GLU A 52 22.403 0.090 -26.247 1.00 0.00 O ATOM 783 OE2 GLU A 52 20.688 -1.171 -25.779 1.00 0.00 O ATOM 0 H GLU A 52 21.706 2.528 -22.648 1.00 0.00 H new ATOM 0 HA GLU A 52 21.127 4.512 -24.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.344 2.777 -26.135 1.00 0.00 H new ATOM 0 HB3 GLU A 52 22.367 2.263 -24.808 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.414 0.845 -23.980 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.581 1.241 -25.470 1.00 0.00 H new ATOM 790 N VAL A 53 18.454 3.053 -23.416 1.00 0.00 N ATOM 791 CA VAL A 53 16.980 3.107 -23.337 1.00 0.00 C ATOM 792 C VAL A 53 16.457 4.059 -22.230 1.00 0.00 C ATOM 793 O VAL A 53 15.277 4.032 -21.884 1.00 0.00 O ATOM 794 CB VAL A 53 16.410 1.669 -23.341 1.00 0.00 C ATOM 795 CG1 VAL A 53 16.726 0.895 -22.061 1.00 0.00 C ATOM 796 CG2 VAL A 53 14.909 1.583 -23.647 1.00 0.00 C ATOM 0 H VAL A 53 18.867 2.512 -22.656 1.00 0.00 H new ATOM 0 HA VAL A 53 16.583 3.586 -24.232 1.00 0.00 H new ATOM 0 HB VAL A 53 16.932 1.193 -24.171 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.299 -0.106 -22.126 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.806 0.821 -21.938 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.298 1.417 -21.205 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.593 0.540 -23.630 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.352 2.143 -22.896 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.714 2.005 -24.633 1.00 0.00 H new ATOM 806 N GLY A 54 17.310 4.950 -21.697 1.00 0.00 N ATOM 807 CA GLY A 54 16.924 6.007 -20.741 1.00 0.00 C ATOM 808 C GLY A 54 16.998 5.618 -19.259 1.00 0.00 C ATOM 809 O GLY A 54 16.366 6.274 -18.429 1.00 0.00 O ATOM 0 H GLY A 54 18.305 4.958 -21.921 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.567 6.872 -20.904 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.905 6.321 -20.966 1.00 0.00 H new ATOM 813 N ILE A 55 17.733 4.555 -18.918 1.00 0.00 N ATOM 814 CA ILE A 55 17.730 3.919 -17.594 1.00 0.00 C ATOM 815 C ILE A 55 19.156 3.827 -17.028 1.00 0.00 C ATOM 816 O ILE A 55 19.859 2.839 -17.214 1.00 0.00 O ATOM 817 CB ILE A 55 17.036 2.537 -17.699 1.00 0.00 C ATOM 818 CG1 ILE A 55 15.667 2.612 -18.419 1.00 0.00 C ATOM 819 CG2 ILE A 55 16.871 1.922 -16.300 1.00 0.00 C ATOM 820 CD1 ILE A 55 14.966 1.269 -18.623 1.00 0.00 C ATOM 0 H ILE A 55 18.366 4.098 -19.575 1.00 0.00 H new ATOM 0 HA ILE A 55 17.164 4.528 -16.889 1.00 0.00 H new ATOM 0 HB ILE A 55 17.679 1.899 -18.305 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.008 3.265 -17.846 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.811 3.080 -19.393 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.382 0.951 -16.385 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.851 1.796 -15.840 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.262 2.582 -15.682 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.017 1.428 -19.135 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.598 0.616 -19.225 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.782 0.804 -17.655 1.00 0.00 H new ATOM 832 N ASP A 56 19.588 4.842 -16.283 1.00 0.00 N ATOM 833 CA ASP A 56 20.855 4.770 -15.546 1.00 0.00 C ATOM 834 C ASP A 56 20.741 3.788 -14.363 1.00 0.00 C ATOM 835 O ASP A 56 20.005 4.048 -13.407 1.00 0.00 O ATOM 836 CB ASP A 56 21.272 6.172 -15.076 1.00 0.00 C ATOM 837 CG ASP A 56 22.553 6.148 -14.224 1.00 0.00 C ATOM 838 OD1 ASP A 56 23.383 5.219 -14.384 1.00 0.00 O ATOM 839 OD2 ASP A 56 22.732 7.056 -13.377 1.00 0.00 O ATOM 0 H ASP A 56 19.084 5.722 -16.172 1.00 0.00 H new ATOM 0 HA ASP A 56 21.631 4.392 -16.211 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.428 6.812 -15.944 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.462 6.614 -14.496 1.00 0.00 H new ATOM 844 N ILE A 57 21.491 2.677 -14.402 1.00 0.00 N ATOM 845 CA ILE A 57 21.609 1.731 -13.281 1.00 0.00 C ATOM 846 C ILE A 57 22.914 1.906 -12.491 1.00 0.00 C ATOM 847 O ILE A 57 23.150 1.161 -11.552 1.00 0.00 O ATOM 848 CB ILE A 57 21.445 0.264 -13.747 1.00 0.00 C ATOM 849 CG1 ILE A 57 22.600 -0.199 -14.664 1.00 0.00 C ATOM 850 CG2 ILE A 57 20.087 0.034 -14.433 1.00 0.00 C ATOM 851 CD1 ILE A 57 23.058 -1.625 -14.350 1.00 0.00 C ATOM 0 H ILE A 57 22.038 2.407 -15.220 1.00 0.00 H new ATOM 0 HA ILE A 57 20.789 1.967 -12.603 1.00 0.00 H new ATOM 0 HB ILE A 57 21.481 -0.346 -12.844 1.00 0.00 H new ATOM 0 HG12 ILE A 57 22.279 -0.144 -15.704 1.00 0.00 H new ATOM 0 HG13 ILE A 57 23.443 0.483 -14.554 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.009 -1.007 -14.746 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.283 0.264 -13.734 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.006 0.682 -15.306 1.00 0.00 H new ATOM 0 HD11 ILE A 57 23.871 -1.902 -15.022 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.406 -1.676 -13.318 1.00 0.00 H new ATOM 0 HD13 ILE A 57 22.224 -2.313 -14.486 1.00 0.00 H new ATOM 863 N SER A 58 23.792 2.847 -12.848 1.00 0.00 N ATOM 864 CA SER A 58 25.152 2.921 -12.287 1.00 0.00 C ATOM 865 C SER A 58 25.214 3.334 -10.803 1.00 0.00 C ATOM 866 O SER A 58 26.214 3.067 -10.134 1.00 0.00 O ATOM 867 CB SER A 58 26.032 3.812 -13.158 1.00 0.00 C ATOM 868 OG SER A 58 25.627 5.164 -13.121 1.00 0.00 O ATOM 0 H SER A 58 23.586 3.577 -13.530 1.00 0.00 H new ATOM 0 HA SER A 58 25.541 1.903 -12.301 1.00 0.00 H new ATOM 0 HB2 SER A 58 27.067 3.736 -12.824 1.00 0.00 H new ATOM 0 HB3 SER A 58 26.002 3.454 -14.187 1.00 0.00 H new ATOM 0 HG SER A 58 24.681 5.229 -13.368 1.00 0.00 H new ATOM 874 N GLY A 59 24.137 3.924 -10.264 1.00 0.00 N ATOM 875 CA GLY A 59 23.941 4.193 -8.827 1.00 0.00 C ATOM 876 C GLY A 59 23.002 3.203 -8.113 1.00 0.00 C ATOM 877 O GLY A 59 22.598 3.454 -6.977 1.00 0.00 O ATOM 0 H GLY A 59 23.351 4.238 -10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.912 4.175 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.542 5.201 -8.710 1.00 0.00 H new ATOM 881 N GLN A 60 22.604 2.112 -8.778 1.00 0.00 N ATOM 882 CA GLN A 60 21.556 1.181 -8.335 1.00 0.00 C ATOM 883 C GLN A 60 22.113 0.062 -7.415 1.00 0.00 C ATOM 884 O GLN A 60 23.302 -0.249 -7.454 1.00 0.00 O ATOM 885 CB GLN A 60 20.849 0.665 -9.604 1.00 0.00 C ATOM 886 CG GLN A 60 19.404 0.199 -9.375 1.00 0.00 C ATOM 887 CD GLN A 60 18.721 -0.230 -10.677 1.00 0.00 C ATOM 888 OE1 GLN A 60 19.182 -1.087 -11.408 1.00 0.00 O ATOM 889 NE2 GLN A 60 17.607 0.360 -11.061 1.00 0.00 N ATOM 0 H GLN A 60 23.017 1.842 -9.671 1.00 0.00 H new ATOM 0 HA GLN A 60 20.826 1.684 -7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.849 1.456 -10.353 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.425 -0.164 -10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.400 -0.635 -8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.832 1.005 -8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.186 1.084 -10.478 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.165 0.093 -11.941 1.00 0.00 H new ATOM 898 N THR A 61 21.266 -0.541 -6.567 1.00 0.00 N ATOM 899 CA THR A 61 21.692 -1.561 -5.578 1.00 0.00 C ATOM 900 C THR A 61 21.719 -2.994 -6.123 1.00 0.00 C ATOM 901 O THR A 61 21.126 -3.284 -7.160 1.00 0.00 O ATOM 902 CB THR A 61 20.833 -1.491 -4.304 1.00 0.00 C ATOM 903 OG1 THR A 61 21.507 -2.153 -3.253 1.00 0.00 O ATOM 904 CG2 THR A 61 19.437 -2.105 -4.437 1.00 0.00 C ATOM 0 H THR A 61 20.266 -0.340 -6.542 1.00 0.00 H new ATOM 0 HA THR A 61 22.725 -1.310 -5.336 1.00 0.00 H new ATOM 0 HB THR A 61 20.690 -0.429 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 61 20.964 -2.110 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 61 18.906 -2.009 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.883 -1.584 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.527 -3.160 -4.698 1.00 0.00 H new ATOM 912 N SER A 62 22.372 -3.898 -5.387 1.00 0.00 N ATOM 913 CA SER A 62 22.338 -5.351 -5.594 1.00 0.00 C ATOM 914 C SER A 62 22.160 -6.047 -4.239 1.00 0.00 C ATOM 915 O SER A 62 23.132 -6.288 -3.521 1.00 0.00 O ATOM 916 CB SER A 62 23.621 -5.851 -6.273 1.00 0.00 C ATOM 917 OG SER A 62 23.631 -5.554 -7.660 1.00 0.00 O ATOM 0 H SER A 62 22.962 -3.629 -4.600 1.00 0.00 H new ATOM 0 HA SER A 62 21.501 -5.588 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.487 -5.392 -5.796 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.712 -6.928 -6.131 1.00 0.00 H new ATOM 0 HG SER A 62 24.462 -5.885 -8.060 1.00 0.00 H new ATOM 923 N ASP A 63 20.912 -6.348 -3.860 1.00 0.00 N ATOM 924 CA ASP A 63 20.588 -6.903 -2.536 1.00 0.00 C ATOM 925 C ASP A 63 20.650 -8.447 -2.530 1.00 0.00 C ATOM 926 O ASP A 63 20.135 -9.061 -3.471 1.00 0.00 O ATOM 927 CB ASP A 63 19.219 -6.372 -2.084 1.00 0.00 C ATOM 928 CG ASP A 63 19.159 -6.254 -0.555 1.00 0.00 C ATOM 929 OD1 ASP A 63 19.561 -5.197 -0.013 1.00 0.00 O ATOM 930 OD2 ASP A 63 18.742 -7.221 0.120 1.00 0.00 O ATOM 0 H ASP A 63 20.098 -6.215 -4.460 1.00 0.00 H new ATOM 0 HA ASP A 63 21.340 -6.573 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.034 -5.398 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.431 -7.040 -2.433 1.00 0.00 H new ATOM 935 N PRO A 64 21.287 -9.112 -1.550 1.00 0.00 N ATOM 936 CA PRO A 64 21.407 -10.572 -1.534 1.00 0.00 C ATOM 937 C PRO A 64 20.133 -11.274 -1.020 1.00 0.00 C ATOM 938 O PRO A 64 19.380 -10.735 -0.207 1.00 0.00 O ATOM 939 CB PRO A 64 22.635 -10.866 -0.672 1.00 0.00 C ATOM 940 CG PRO A 64 22.613 -9.714 0.331 1.00 0.00 C ATOM 941 CD PRO A 64 22.093 -8.532 -0.487 1.00 0.00 C ATOM 0 HA PRO A 64 21.526 -10.969 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 64 22.563 -11.836 -0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 64 23.552 -10.875 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 64 21.962 -9.932 1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 64 23.606 -9.516 0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 64 21.499 -7.859 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 64 22.917 -7.946 -0.895 1.00 0.00 H new ATOM 949 N ILE A 65 19.919 -12.522 -1.447 1.00 0.00 N ATOM 950 CA ILE A 65 18.665 -13.278 -1.251 1.00 0.00 C ATOM 951 C ILE A 65 18.191 -13.424 0.206 1.00 0.00 C ATOM 952 O ILE A 65 16.989 -13.439 0.449 1.00 0.00 O ATOM 953 CB ILE A 65 18.769 -14.646 -1.971 1.00 0.00 C ATOM 954 CG1 ILE A 65 17.406 -15.343 -2.177 1.00 0.00 C ATOM 955 CG2 ILE A 65 19.727 -15.613 -1.256 1.00 0.00 C ATOM 956 CD1 ILE A 65 16.553 -14.654 -3.247 1.00 0.00 C ATOM 0 H ILE A 65 20.628 -13.054 -1.952 1.00 0.00 H new ATOM 0 HA ILE A 65 17.878 -12.675 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 65 19.172 -14.403 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.572 -16.382 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.861 -15.354 -1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.764 -16.557 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.725 -15.176 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 65 19.372 -15.793 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.606 -15.183 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 65 16.362 -13.622 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.084 -14.666 -4.199 1.00 0.00 H new ATOM 968 N GLU A 66 19.089 -13.503 1.192 1.00 0.00 N ATOM 969 CA GLU A 66 18.692 -13.644 2.610 1.00 0.00 C ATOM 970 C GLU A 66 18.487 -12.291 3.323 1.00 0.00 C ATOM 971 O GLU A 66 17.866 -12.238 4.387 1.00 0.00 O ATOM 972 CB GLU A 66 19.687 -14.546 3.357 1.00 0.00 C ATOM 973 CG GLU A 66 19.683 -15.974 2.802 1.00 0.00 C ATOM 974 CD GLU A 66 20.506 -16.918 3.700 1.00 0.00 C ATOM 975 OE1 GLU A 66 21.746 -17.012 3.521 1.00 0.00 O ATOM 976 OE2 GLU A 66 19.919 -17.576 4.593 1.00 0.00 O ATOM 0 H GLU A 66 20.097 -13.472 1.042 1.00 0.00 H new ATOM 0 HA GLU A 66 17.714 -14.125 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 66 20.690 -14.127 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 66 19.435 -14.567 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.658 -16.337 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.094 -15.977 1.792 1.00 0.00 H new ATOM 983 N ASN A 67 18.944 -11.185 2.723 1.00 0.00 N ATOM 984 CA ASN A 67 18.745 -9.827 3.240 1.00 0.00 C ATOM 985 C ASN A 67 17.455 -9.171 2.715 1.00 0.00 C ATOM 986 O ASN A 67 16.897 -8.300 3.387 1.00 0.00 O ATOM 987 CB ASN A 67 19.974 -8.991 2.871 1.00 0.00 C ATOM 988 CG ASN A 67 19.935 -7.606 3.493 1.00 0.00 C ATOM 989 OD1 ASN A 67 20.225 -7.418 4.667 1.00 0.00 O ATOM 990 ND2 ASN A 67 19.578 -6.598 2.734 1.00 0.00 N ATOM 0 H ASN A 67 19.471 -11.210 1.850 1.00 0.00 H new ATOM 0 HA ASN A 67 18.629 -9.880 4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.875 -9.509 3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.036 -8.899 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.542 -5.655 3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.337 -6.757 1.756 1.00 0.00 H new ATOM 997 N PHE A 68 16.973 -9.583 1.534 1.00 0.00 N ATOM 998 CA PHE A 68 15.883 -8.881 0.844 1.00 0.00 C ATOM 999 C PHE A 68 14.554 -8.960 1.617 1.00 0.00 C ATOM 1000 O PHE A 68 13.944 -7.937 1.923 1.00 0.00 O ATOM 1001 CB PHE A 68 15.786 -9.375 -0.613 1.00 0.00 C ATOM 1002 CG PHE A 68 14.608 -10.251 -1.021 1.00 0.00 C ATOM 1003 CD1 PHE A 68 13.300 -9.734 -1.094 1.00 0.00 C ATOM 1004 CD2 PHE A 68 14.834 -11.588 -1.384 1.00 0.00 C ATOM 1005 CE1 PHE A 68 12.248 -10.525 -1.586 1.00 0.00 C ATOM 1006 CE2 PHE A 68 13.781 -12.385 -1.859 1.00 0.00 C ATOM 1007 CZ PHE A 68 12.490 -11.850 -1.984 1.00 0.00 C ATOM 0 H PHE A 68 17.323 -10.402 1.036 1.00 0.00 H new ATOM 0 HA PHE A 68 16.114 -7.816 0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 68 15.781 -8.497 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 68 16.699 -9.928 -0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.104 -8.723 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 68 15.826 -12.007 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.252 -10.114 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.965 -13.414 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.688 -12.453 -2.383 1.00 0.00 H new ATOM 1017 N ASN A 69 14.162 -10.192 1.957 1.00 0.00 N ATOM 1018 CA ASN A 69 12.958 -10.598 2.682 1.00 0.00 C ATOM 1019 C ASN A 69 11.635 -10.193 2.004 1.00 0.00 C ATOM 1020 O ASN A 69 11.180 -9.056 2.101 1.00 0.00 O ATOM 1021 CB ASN A 69 13.055 -10.208 4.177 1.00 0.00 C ATOM 1022 CG ASN A 69 14.426 -10.422 4.812 1.00 0.00 C ATOM 1023 OD1 ASN A 69 14.932 -9.590 5.550 1.00 0.00 O ATOM 1024 ND2 ASN A 69 15.068 -11.543 4.570 1.00 0.00 N ATOM 0 H ASN A 69 14.731 -11.001 1.709 1.00 0.00 H new ATOM 0 HA ASN A 69 12.921 -11.687 2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.783 -9.158 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.318 -10.785 4.736 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.979 -11.711 4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.655 -12.245 3.956 1.00 0.00 H new ATOM 1031 N ALA A 70 10.935 -11.166 1.409 1.00 0.00 N ATOM 1032 CA ALA A 70 9.624 -11.011 0.747 1.00 0.00 C ATOM 1033 C ALA A 70 8.446 -10.641 1.681 1.00 0.00 C ATOM 1034 O ALA A 70 7.281 -10.728 1.297 1.00 0.00 O ATOM 1035 CB ALA A 70 9.327 -12.298 -0.021 1.00 0.00 C ATOM 0 H ALA A 70 11.277 -12.126 1.371 1.00 0.00 H new ATOM 0 HA ALA A 70 9.706 -10.152 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.362 -12.209 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.106 -12.466 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.301 -13.138 0.673 1.00 0.00 H new ATOM 1041 N ASP A 71 8.740 -10.222 2.910 1.00 0.00 N ATOM 1042 CA ASP A 71 7.744 -9.745 3.876 1.00 0.00 C ATOM 1043 C ASP A 71 7.232 -8.342 3.499 1.00 0.00 C ATOM 1044 O ASP A 71 6.076 -8.010 3.763 1.00 0.00 O ATOM 1045 CB ASP A 71 8.375 -9.756 5.276 1.00 0.00 C ATOM 1046 CG ASP A 71 7.367 -9.354 6.365 1.00 0.00 C ATOM 1047 OD1 ASP A 71 6.432 -10.142 6.648 1.00 0.00 O ATOM 1048 OD2 ASP A 71 7.522 -8.261 6.961 1.00 0.00 O ATOM 0 H ASP A 71 9.693 -10.203 3.272 1.00 0.00 H new ATOM 0 HA ASP A 71 6.878 -10.407 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.763 -10.752 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.223 -9.072 5.297 1.00 0.00 H new ATOM 1053 N ASP A 72 8.077 -7.539 2.835 1.00 0.00 N ATOM 1054 CA ASP A 72 7.745 -6.171 2.405 1.00 0.00 C ATOM 1055 C ASP A 72 7.352 -6.060 0.913 1.00 0.00 C ATOM 1056 O ASP A 72 6.937 -4.993 0.466 1.00 0.00 O ATOM 1057 CB ASP A 72 8.928 -5.256 2.759 1.00 0.00 C ATOM 1058 CG ASP A 72 8.559 -3.763 2.838 1.00 0.00 C ATOM 1059 OD1 ASP A 72 7.484 -3.407 3.378 1.00 0.00 O ATOM 1060 OD2 ASP A 72 9.387 -2.914 2.432 1.00 0.00 O ATOM 0 H ASP A 72 9.022 -7.824 2.578 1.00 0.00 H new ATOM 0 HA ASP A 72 6.849 -5.854 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.343 -5.569 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.712 -5.388 2.014 1.00 0.00 H new ATOM 1065 N TYR A 73 7.459 -7.154 0.141 1.00 0.00 N ATOM 1066 CA TYR A 73 7.271 -7.186 -1.320 1.00 0.00 C ATOM 1067 C TYR A 73 6.209 -8.226 -1.693 1.00 0.00 C ATOM 1068 O TYR A 73 6.508 -9.407 -1.854 1.00 0.00 O ATOM 1069 CB TYR A 73 8.613 -7.455 -2.037 1.00 0.00 C ATOM 1070 CG TYR A 73 9.756 -6.593 -1.544 1.00 0.00 C ATOM 1071 CD1 TYR A 73 10.525 -7.051 -0.462 1.00 0.00 C ATOM 1072 CD2 TYR A 73 9.995 -5.318 -2.087 1.00 0.00 C ATOM 1073 CE1 TYR A 73 11.494 -6.225 0.125 1.00 0.00 C ATOM 1074 CE2 TYR A 73 10.951 -4.473 -1.493 1.00 0.00 C ATOM 1075 CZ TYR A 73 11.707 -4.923 -0.384 1.00 0.00 C ATOM 1076 OH TYR A 73 12.636 -4.100 0.177 1.00 0.00 O ATOM 0 H TYR A 73 7.686 -8.070 0.528 1.00 0.00 H new ATOM 0 HA TYR A 73 6.915 -6.211 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.879 -8.504 -1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.482 -7.290 -3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.369 -8.048 -0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.447 -4.988 -2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 73 12.075 -6.582 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.108 -3.479 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 73 12.647 -3.245 -0.302 1.00 0.00 H new ATOM 1086 N ASP A 74 4.956 -7.789 -1.840 1.00 0.00 N ATOM 1087 CA ASP A 74 3.812 -8.686 -2.075 1.00 0.00 C ATOM 1088 C ASP A 74 3.771 -9.287 -3.499 1.00 0.00 C ATOM 1089 O ASP A 74 2.939 -10.140 -3.808 1.00 0.00 O ATOM 1090 CB ASP A 74 2.525 -7.925 -1.725 1.00 0.00 C ATOM 1091 CG ASP A 74 1.317 -8.851 -1.514 1.00 0.00 C ATOM 1092 OD1 ASP A 74 1.452 -9.909 -0.852 1.00 0.00 O ATOM 1093 OD2 ASP A 74 0.212 -8.470 -1.965 1.00 0.00 O ATOM 0 H ASP A 74 4.701 -6.802 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 74 3.919 -9.556 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.690 -7.341 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.299 -7.219 -2.524 1.00 0.00 H new ATOM 1098 N VAL A 75 4.691 -8.856 -4.370 1.00 0.00 N ATOM 1099 CA VAL A 75 4.904 -9.388 -5.720 1.00 0.00 C ATOM 1100 C VAL A 75 6.384 -9.734 -5.904 1.00 0.00 C ATOM 1101 O VAL A 75 7.238 -8.854 -5.779 1.00 0.00 O ATOM 1102 CB VAL A 75 4.442 -8.365 -6.773 1.00 0.00 C ATOM 1103 CG1 VAL A 75 4.637 -8.915 -8.186 1.00 0.00 C ATOM 1104 CG2 VAL A 75 2.965 -7.988 -6.599 1.00 0.00 C ATOM 0 H VAL A 75 5.333 -8.096 -4.144 1.00 0.00 H new ATOM 0 HA VAL A 75 4.314 -10.295 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 75 5.054 -7.475 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.304 -8.175 -8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.692 -9.134 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.054 -9.828 -8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.682 -7.264 -7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.347 -8.881 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.815 -7.551 -5.612 1.00 0.00 H new ATOM 1114 N VAL A 76 6.702 -10.992 -6.223 1.00 0.00 N ATOM 1115 CA VAL A 76 8.091 -11.450 -6.397 1.00 0.00 C ATOM 1116 C VAL A 76 8.240 -12.254 -7.683 1.00 0.00 C ATOM 1117 O VAL A 76 7.616 -13.297 -7.836 1.00 0.00 O ATOM 1118 CB VAL A 76 8.589 -12.271 -5.191 1.00 0.00 C ATOM 1119 CG1 VAL A 76 10.074 -12.616 -5.374 1.00 0.00 C ATOM 1120 CG2 VAL A 76 8.443 -11.512 -3.866 1.00 0.00 C ATOM 0 H VAL A 76 6.007 -11.724 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 76 8.713 -10.558 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 76 7.974 -13.170 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.421 -13.196 -4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.202 -13.200 -6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.655 -11.697 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.808 -12.134 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.024 -10.591 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.393 -11.271 -3.698 1.00 0.00 H new ATOM 1130 N ILE A 77 9.083 -11.792 -8.605 1.00 0.00 N ATOM 1131 CA ILE A 77 9.329 -12.450 -9.900 1.00 0.00 C ATOM 1132 C ILE A 77 10.732 -13.046 -9.940 1.00 0.00 C ATOM 1133 O ILE A 77 11.702 -12.379 -9.588 1.00 0.00 O ATOM 1134 CB ILE A 77 9.079 -11.450 -11.058 1.00 0.00 C ATOM 1135 CG1 ILE A 77 7.632 -11.491 -11.589 1.00 0.00 C ATOM 1136 CG2 ILE A 77 9.965 -11.668 -12.305 1.00 0.00 C ATOM 1137 CD1 ILE A 77 6.514 -11.428 -10.547 1.00 0.00 C ATOM 0 H ILE A 77 9.625 -10.938 -8.477 1.00 0.00 H new ATOM 0 HA ILE A 77 8.630 -13.277 -10.025 1.00 0.00 H new ATOM 0 HB ILE A 77 9.318 -10.498 -10.584 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.500 -10.659 -12.280 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.508 -12.407 -12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.719 -10.922 -13.061 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.014 -11.571 -12.027 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.787 -12.665 -12.708 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.547 -11.465 -11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.603 -12.275 -9.867 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.595 -10.499 -9.982 1.00 0.00 H new ATOM 1149 N SER A 78 10.841 -14.282 -10.413 1.00 0.00 N ATOM 1150 CA SER A 78 12.111 -14.927 -10.751 1.00 0.00 C ATOM 1151 C SER A 78 12.428 -14.623 -12.220 1.00 0.00 C ATOM 1152 O SER A 78 11.523 -14.445 -13.030 1.00 0.00 O ATOM 1153 CB SER A 78 12.045 -16.431 -10.486 1.00 0.00 C ATOM 1154 OG SER A 78 11.971 -16.659 -9.089 1.00 0.00 O ATOM 0 H SER A 78 10.031 -14.880 -10.577 1.00 0.00 H new ATOM 0 HA SER A 78 12.910 -14.535 -10.122 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.175 -16.861 -10.983 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.925 -16.924 -10.900 1.00 0.00 H new ATOM 0 HG SER A 78 11.095 -17.036 -8.865 1.00 0.00 H new ATOM 1160 N LEU A 79 13.706 -14.508 -12.570 1.00 0.00 N ATOM 1161 CA LEU A 79 14.167 -14.082 -13.896 1.00 0.00 C ATOM 1162 C LEU A 79 15.167 -15.100 -14.479 1.00 0.00 C ATOM 1163 O LEU A 79 16.228 -14.722 -14.971 1.00 0.00 O ATOM 1164 CB LEU A 79 14.740 -12.654 -13.769 1.00 0.00 C ATOM 1165 CG LEU A 79 13.734 -11.542 -13.413 1.00 0.00 C ATOM 1166 CD1 LEU A 79 14.532 -10.255 -13.327 1.00 0.00 C ATOM 1167 CD2 LEU A 79 12.651 -11.358 -14.462 1.00 0.00 C ATOM 0 H LEU A 79 14.471 -14.712 -11.927 1.00 0.00 H new ATOM 0 HA LEU A 79 13.342 -14.052 -14.607 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.520 -12.665 -13.008 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.219 -12.393 -14.713 1.00 0.00 H new ATOM 0 HG LEU A 79 13.233 -11.809 -12.483 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.866 -9.430 -13.076 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.296 -10.352 -12.556 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.009 -10.057 -14.287 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.975 -10.561 -14.152 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.109 -11.095 -15.415 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.090 -12.286 -14.573 1.00 0.00 H new ATOM 1179 N CYS A 80 14.880 -16.401 -14.356 1.00 0.00 N ATOM 1180 CA CYS A 80 15.861 -17.457 -14.662 1.00 0.00 C ATOM 1181 C CYS A 80 15.319 -18.818 -15.138 1.00 0.00 C ATOM 1182 O CYS A 80 16.099 -19.612 -15.668 1.00 0.00 O ATOM 1183 CB CYS A 80 16.672 -17.695 -13.376 1.00 0.00 C ATOM 1184 SG CYS A 80 15.650 -18.132 -11.935 1.00 0.00 S ATOM 0 H CYS A 80 13.974 -16.752 -14.046 1.00 0.00 H new ATOM 0 HA CYS A 80 16.430 -17.084 -15.514 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.393 -18.493 -13.554 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.243 -16.796 -13.146 1.00 0.00 H new ATOM 1189 N GLY A 81 14.033 -19.125 -14.950 1.00 0.00 N ATOM 1190 CA GLY A 81 13.496 -20.480 -15.155 1.00 0.00 C ATOM 1191 C GLY A 81 13.999 -21.446 -14.068 1.00 0.00 C ATOM 1192 O GLY A 81 14.297 -22.608 -14.350 1.00 0.00 O ATOM 0 H GLY A 81 13.333 -18.446 -14.652 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.407 -20.448 -15.142 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.792 -20.847 -16.138 1.00 0.00 H new ATOM 1196 N CYS A 82 14.169 -20.929 -12.846 1.00 0.00 N ATOM 1197 CA CYS A 82 14.829 -21.577 -11.706 1.00 0.00 C ATOM 1198 C CYS A 82 14.170 -21.305 -10.338 1.00 0.00 C ATOM 1199 O CYS A 82 14.639 -21.840 -9.335 1.00 0.00 O ATOM 1200 CB CYS A 82 16.313 -21.152 -11.699 1.00 0.00 C ATOM 1201 SG CYS A 82 16.729 -19.546 -10.940 1.00 0.00 S ATOM 0 H CYS A 82 13.831 -19.995 -12.613 1.00 0.00 H new ATOM 0 HA CYS A 82 14.727 -22.653 -11.844 1.00 0.00 H new ATOM 0 HB2 CYS A 82 16.881 -21.925 -11.182 1.00 0.00 H new ATOM 0 HB3 CYS A 82 16.663 -21.136 -12.731 1.00 0.00 H new ATOM 1206 N GLY A 83 13.093 -20.510 -10.270 1.00 0.00 N ATOM 1207 CA GLY A 83 12.481 -19.982 -9.038 1.00 0.00 C ATOM 1208 C GLY A 83 12.056 -21.011 -7.984 1.00 0.00 C ATOM 1209 O GLY A 83 12.010 -20.687 -6.800 1.00 0.00 O ATOM 0 H GLY A 83 12.601 -20.202 -11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.188 -19.293 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.604 -19.399 -9.317 1.00 0.00 H new ATOM 1213 N VAL A 84 11.845 -22.276 -8.369 1.00 0.00 N ATOM 1214 CA VAL A 84 11.565 -23.401 -7.441 1.00 0.00 C ATOM 1215 C VAL A 84 12.729 -23.639 -6.450 1.00 0.00 C ATOM 1216 O VAL A 84 12.516 -24.168 -5.360 1.00 0.00 O ATOM 1217 CB VAL A 84 11.235 -24.681 -8.248 1.00 0.00 C ATOM 1218 CG1 VAL A 84 10.897 -25.891 -7.366 1.00 0.00 C ATOM 1219 CG2 VAL A 84 10.024 -24.457 -9.170 1.00 0.00 C ATOM 0 H VAL A 84 11.862 -22.561 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 84 10.697 -23.135 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 84 12.142 -24.891 -8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.677 -26.751 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.746 -26.121 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.028 -25.661 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.815 -25.372 -9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.154 -24.189 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.244 -23.651 -9.870 1.00 0.00 H new ATOM 1229 N ASN A 85 13.951 -23.199 -6.784 1.00 0.00 N ATOM 1230 CA ASN A 85 15.135 -23.296 -5.916 1.00 0.00 C ATOM 1231 C ASN A 85 15.186 -22.224 -4.804 1.00 0.00 C ATOM 1232 O ASN A 85 16.034 -22.313 -3.911 1.00 0.00 O ATOM 1233 CB ASN A 85 16.409 -23.244 -6.782 1.00 0.00 C ATOM 1234 CG ASN A 85 16.540 -24.442 -7.710 1.00 0.00 C ATOM 1235 OD1 ASN A 85 17.018 -25.504 -7.335 1.00 0.00 O ATOM 1236 ND2 ASN A 85 16.113 -24.318 -8.946 1.00 0.00 N ATOM 0 H ASN A 85 14.148 -22.757 -7.682 1.00 0.00 H new ATOM 0 HA ASN A 85 15.069 -24.251 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.403 -22.330 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 85 17.283 -23.196 -6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.180 -25.106 -9.590 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.714 -23.434 -9.261 1.00 0.00 H new ATOM 1243 N LEU A 86 14.312 -21.207 -4.839 1.00 0.00 N ATOM 1244 CA LEU A 86 14.230 -20.170 -3.799 1.00 0.00 C ATOM 1245 C LEU A 86 13.567 -20.707 -2.505 1.00 0.00 C ATOM 1246 O LEU A 86 12.802 -21.677 -2.571 1.00 0.00 O ATOM 1247 CB LEU A 86 13.466 -18.940 -4.333 1.00 0.00 C ATOM 1248 CG LEU A 86 14.076 -18.265 -5.580 1.00 0.00 C ATOM 1249 CD1 LEU A 86 13.261 -17.022 -5.929 1.00 0.00 C ATOM 1250 CD2 LEU A 86 15.533 -17.843 -5.371 1.00 0.00 C ATOM 0 H LEU A 86 13.638 -21.080 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 86 15.247 -19.872 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.446 -19.243 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.403 -18.200 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 86 14.051 -18.999 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.688 -16.542 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.230 -17.309 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.282 -16.326 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.910 -17.374 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.591 -17.133 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.136 -18.721 -5.138 1.00 0.00 H new ATOM 1262 N PRO A 87 13.808 -20.074 -1.336 1.00 0.00 N ATOM 1263 CA PRO A 87 13.097 -20.403 -0.098 1.00 0.00 C ATOM 1264 C PRO A 87 11.572 -20.264 -0.268 1.00 0.00 C ATOM 1265 O PRO A 87 11.130 -19.292 -0.887 1.00 0.00 O ATOM 1266 CB PRO A 87 13.630 -19.424 0.962 1.00 0.00 C ATOM 1267 CG PRO A 87 15.007 -19.033 0.426 1.00 0.00 C ATOM 1268 CD PRO A 87 14.780 -19.022 -1.083 1.00 0.00 C ATOM 0 HA PRO A 87 13.269 -21.439 0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.980 -18.556 1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.700 -19.894 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.325 -18.058 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.775 -19.750 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.407 -18.054 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.709 -19.208 -1.621 1.00 0.00 H new ATOM 1276 N PRO A 88 10.744 -21.157 0.311 1.00 0.00 N ATOM 1277 CA PRO A 88 9.288 -21.100 0.150 1.00 0.00 C ATOM 1278 C PRO A 88 8.677 -19.816 0.735 1.00 0.00 C ATOM 1279 O PRO A 88 7.710 -19.281 0.197 1.00 0.00 O ATOM 1280 CB PRO A 88 8.755 -22.365 0.835 1.00 0.00 C ATOM 1281 CG PRO A 88 9.836 -22.717 1.858 1.00 0.00 C ATOM 1282 CD PRO A 88 11.122 -22.281 1.160 1.00 0.00 C ATOM 0 HA PRO A 88 9.009 -21.068 -0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.794 -22.183 1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.605 -23.173 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.688 -22.188 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.843 -23.782 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.881 -21.987 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.543 -23.095 0.569 1.00 0.00 H new ATOM 1290 N GLU A 89 9.297 -19.249 1.775 1.00 0.00 N ATOM 1291 CA GLU A 89 8.906 -17.948 2.331 1.00 0.00 C ATOM 1292 C GLU A 89 9.064 -16.778 1.340 1.00 0.00 C ATOM 1293 O GLU A 89 8.318 -15.807 1.460 1.00 0.00 O ATOM 1294 CB GLU A 89 9.635 -17.686 3.660 1.00 0.00 C ATOM 1295 CG GLU A 89 11.170 -17.740 3.587 1.00 0.00 C ATOM 1296 CD GLU A 89 11.809 -17.676 4.991 1.00 0.00 C ATOM 1297 OE1 GLU A 89 11.477 -16.768 5.795 1.00 0.00 O ATOM 1298 OE2 GLU A 89 12.645 -18.555 5.318 1.00 0.00 O ATOM 0 H GLU A 89 10.086 -19.680 2.257 1.00 0.00 H new ATOM 0 HA GLU A 89 7.836 -18.003 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.339 -16.705 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.296 -18.419 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.479 -18.658 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.535 -16.910 2.982 1.00 0.00 H new ATOM 1305 N TRP A 90 9.958 -16.858 0.338 1.00 0.00 N ATOM 1306 CA TRP A 90 10.042 -15.895 -0.775 1.00 0.00 C ATOM 1307 C TRP A 90 9.122 -16.218 -1.978 1.00 0.00 C ATOM 1308 O TRP A 90 9.188 -15.532 -3.002 1.00 0.00 O ATOM 1309 CB TRP A 90 11.500 -15.747 -1.227 1.00 0.00 C ATOM 1310 CG TRP A 90 12.548 -15.370 -0.220 1.00 0.00 C ATOM 1311 CD1 TRP A 90 13.869 -15.490 -0.470 1.00 0.00 C ATOM 1312 CD2 TRP A 90 12.460 -14.808 1.140 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.592 -15.042 0.607 1.00 0.00 N ATOM 1314 CE2 TRP A 90 13.787 -14.651 1.639 1.00 0.00 C ATOM 1315 CE3 TRP A 90 11.428 -14.411 2.022 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.080 -14.187 2.927 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 11.698 -13.996 3.340 1.00 0.00 C ATOM 1318 CH2 TRP A 90 13.021 -13.914 3.809 1.00 0.00 C ATOM 0 H TRP A 90 10.652 -17.603 0.278 1.00 0.00 H new ATOM 0 HA TRP A 90 9.671 -14.948 -0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.802 -16.694 -1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.523 -14.999 -2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.294 -15.881 -1.383 1.00 0.00 H new ATOM 0 HE1 TRP A 90 15.611 -15.005 0.634 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.405 -14.427 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.104 -14.041 3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.881 -13.738 3.997 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.221 -13.644 4.835 1.00 0.00 H new ATOM 1329 N VAL A 91 8.288 -17.262 -1.882 1.00 0.00 N ATOM 1330 CA VAL A 91 7.418 -17.776 -2.955 1.00 0.00 C ATOM 1331 C VAL A 91 5.928 -17.565 -2.656 1.00 0.00 C ATOM 1332 O VAL A 91 5.157 -17.278 -3.569 1.00 0.00 O ATOM 1333 CB VAL A 91 7.723 -19.272 -3.198 1.00 0.00 C ATOM 1334 CG1 VAL A 91 6.691 -19.985 -4.078 1.00 0.00 C ATOM 1335 CG2 VAL A 91 9.108 -19.460 -3.829 1.00 0.00 C ATOM 0 H VAL A 91 8.195 -17.796 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 91 7.635 -17.207 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 91 7.684 -19.726 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.977 -21.030 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.710 -19.930 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.651 -19.503 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.294 -20.522 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.146 -18.938 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.869 -19.054 -3.163 1.00 0.00 H new ATOM 1345 N THR A 92 5.497 -17.689 -1.398 1.00 0.00 N ATOM 1346 CA THR A 92 4.070 -17.735 -1.008 1.00 0.00 C ATOM 1347 C THR A 92 3.334 -16.380 -0.944 1.00 0.00 C ATOM 1348 O THR A 92 2.192 -16.316 -0.485 1.00 0.00 O ATOM 1349 CB THR A 92 3.892 -18.553 0.281 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.746 -18.054 1.294 1.00 0.00 O ATOM 1351 CG2 THR A 92 4.236 -20.024 0.028 1.00 0.00 C ATOM 0 H THR A 92 6.133 -17.762 -0.604 1.00 0.00 H new ATOM 0 HA THR A 92 3.572 -18.241 -1.835 1.00 0.00 H new ATOM 0 HB THR A 92 2.853 -18.470 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.625 -18.580 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.106 -20.592 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.576 -20.425 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.271 -20.104 -0.304 1.00 0.00 H new ATOM 1359 N GLN A 93 3.949 -15.298 -1.432 1.00 0.00 N ATOM 1360 CA GLN A 93 3.320 -13.982 -1.642 1.00 0.00 C ATOM 1361 C GLN A 93 2.235 -14.027 -2.736 1.00 0.00 C ATOM 1362 O GLN A 93 2.119 -15.000 -3.485 1.00 0.00 O ATOM 1363 CB GLN A 93 4.407 -12.928 -1.949 1.00 0.00 C ATOM 1364 CG GLN A 93 5.259 -12.570 -0.723 1.00 0.00 C ATOM 1365 CD GLN A 93 6.179 -13.696 -0.254 1.00 0.00 C ATOM 1366 OE1 GLN A 93 6.705 -14.480 -1.033 1.00 0.00 O ATOM 1367 NE2 GLN A 93 6.398 -13.830 1.033 1.00 0.00 N ATOM 0 H GLN A 93 4.932 -15.311 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 93 2.808 -13.694 -0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.057 -13.304 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.932 -12.024 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.864 -11.694 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.598 -12.290 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.966 -13.184 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.000 -14.580 1.373 1.00 0.00 H new ATOM 1376 N GLU A 94 1.416 -12.974 -2.817 1.00 0.00 N ATOM 1377 CA GLU A 94 0.201 -12.942 -3.644 1.00 0.00 C ATOM 1378 C GLU A 94 0.454 -13.232 -5.139 1.00 0.00 C ATOM 1379 O GLU A 94 -0.337 -13.938 -5.770 1.00 0.00 O ATOM 1380 CB GLU A 94 -0.476 -11.575 -3.471 1.00 0.00 C ATOM 1381 CG GLU A 94 -1.914 -11.589 -3.985 1.00 0.00 C ATOM 1382 CD GLU A 94 -2.546 -10.187 -3.909 1.00 0.00 C ATOM 1383 OE1 GLU A 94 -2.276 -9.348 -4.804 1.00 0.00 O ATOM 1384 OE2 GLU A 94 -3.323 -9.908 -2.963 1.00 0.00 O ATOM 0 H GLU A 94 1.578 -12.107 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.448 -13.746 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.469 -11.296 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.095 -10.816 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.931 -11.943 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.506 -12.290 -3.397 1.00 0.00 H new ATOM 1391 N ILE A 95 1.571 -12.737 -5.689 1.00 0.00 N ATOM 1392 CA ILE A 95 2.016 -13.013 -7.061 1.00 0.00 C ATOM 1393 C ILE A 95 3.464 -13.523 -7.042 1.00 0.00 C ATOM 1394 O ILE A 95 4.376 -12.800 -6.632 1.00 0.00 O ATOM 1395 CB ILE A 95 1.848 -11.764 -7.961 1.00 0.00 C ATOM 1396 CG1 ILE A 95 0.370 -11.308 -8.034 1.00 0.00 C ATOM 1397 CG2 ILE A 95 2.406 -12.030 -9.375 1.00 0.00 C ATOM 1398 CD1 ILE A 95 0.134 -10.028 -8.850 1.00 0.00 C ATOM 0 H ILE A 95 2.204 -12.120 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 95 1.389 -13.794 -7.492 1.00 0.00 H new ATOM 0 HB ILE A 95 2.421 -10.954 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.224 -12.113 -8.467 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.002 -11.150 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.278 -11.139 -9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.466 -12.275 -9.308 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.869 -12.864 -9.827 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.929 -9.785 -8.846 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.696 -9.206 -8.408 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.467 -10.184 -9.876 1.00 0.00 H new ATOM 1410 N PHE A 96 3.665 -14.747 -7.545 1.00 0.00 N ATOM 1411 CA PHE A 96 4.979 -15.331 -7.825 1.00 0.00 C ATOM 1412 C PHE A 96 4.997 -15.976 -9.219 1.00 0.00 C ATOM 1413 O PHE A 96 4.120 -16.772 -9.555 1.00 0.00 O ATOM 1414 CB PHE A 96 5.394 -16.307 -6.715 1.00 0.00 C ATOM 1415 CG PHE A 96 6.780 -16.895 -6.917 1.00 0.00 C ATOM 1416 CD1 PHE A 96 7.909 -16.217 -6.421 1.00 0.00 C ATOM 1417 CD2 PHE A 96 6.949 -18.108 -7.615 1.00 0.00 C ATOM 1418 CE1 PHE A 96 9.198 -16.738 -6.625 1.00 0.00 C ATOM 1419 CE2 PHE A 96 8.241 -18.629 -7.822 1.00 0.00 C ATOM 1420 CZ PHE A 96 9.363 -17.942 -7.328 1.00 0.00 C ATOM 0 H PHE A 96 2.895 -15.375 -7.774 1.00 0.00 H new ATOM 0 HA PHE A 96 5.724 -14.535 -7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.363 -15.790 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.667 -17.118 -6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.784 -15.291 -5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.087 -18.638 -7.991 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.060 -16.213 -6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.369 -19.556 -8.360 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.354 -18.341 -7.489 1.00 0.00 H new ATOM 1430 N GLU A 97 5.989 -15.615 -10.037 1.00 0.00 N ATOM 1431 CA GLU A 97 6.129 -16.011 -11.451 1.00 0.00 C ATOM 1432 C GLU A 97 7.613 -16.158 -11.832 1.00 0.00 C ATOM 1433 O GLU A 97 8.471 -15.585 -11.163 1.00 0.00 O ATOM 1434 CB GLU A 97 5.491 -14.947 -12.368 1.00 0.00 C ATOM 1435 CG GLU A 97 3.987 -14.681 -12.185 1.00 0.00 C ATOM 1436 CD GLU A 97 3.084 -15.892 -12.517 1.00 0.00 C ATOM 1437 OE1 GLU A 97 3.517 -16.829 -13.233 1.00 0.00 O ATOM 1438 OE2 GLU A 97 1.896 -15.883 -12.108 1.00 0.00 O ATOM 0 H GLU A 97 6.751 -15.014 -9.724 1.00 0.00 H new ATOM 0 HA GLU A 97 5.623 -16.968 -11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.022 -14.007 -12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.659 -15.246 -13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.806 -14.379 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.698 -13.842 -12.818 1.00 0.00 H new ATOM 1445 N ASP A 98 7.936 -16.863 -12.926 1.00 0.00 N ATOM 1446 CA ASP A 98 9.309 -16.947 -13.458 1.00 0.00 C ATOM 1447 C ASP A 98 9.396 -16.588 -14.944 1.00 0.00 C ATOM 1448 O ASP A 98 8.839 -17.274 -15.804 1.00 0.00 O ATOM 1449 CB ASP A 98 9.936 -18.322 -13.182 1.00 0.00 C ATOM 1450 CG ASP A 98 11.470 -18.289 -13.184 1.00 0.00 C ATOM 1451 OD1 ASP A 98 12.094 -17.435 -13.853 1.00 0.00 O ATOM 1452 OD2 ASP A 98 12.077 -19.137 -12.498 1.00 0.00 O ATOM 0 H ASP A 98 7.254 -17.392 -13.469 1.00 0.00 H new ATOM 0 HA ASP A 98 9.889 -16.195 -12.923 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.587 -18.688 -12.217 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.592 -19.031 -13.935 1.00 0.00 H new ATOM 1457 N TRP A 99 10.129 -15.514 -15.247 1.00 0.00 N ATOM 1458 CA TRP A 99 10.508 -15.159 -16.608 1.00 0.00 C ATOM 1459 C TRP A 99 11.823 -15.887 -16.888 1.00 0.00 C ATOM 1460 O TRP A 99 12.901 -15.411 -16.556 1.00 0.00 O ATOM 1461 CB TRP A 99 10.628 -13.640 -16.811 1.00 0.00 C ATOM 1462 CG TRP A 99 9.545 -12.747 -16.281 1.00 0.00 C ATOM 1463 CD1 TRP A 99 8.343 -13.106 -15.766 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.616 -11.299 -16.140 1.00 0.00 C ATOM 1465 NE1 TRP A 99 7.710 -11.986 -15.262 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.485 -10.858 -15.401 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.557 -10.323 -16.521 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.354 -9.540 -14.953 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.454 -9.000 -16.055 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.376 -8.623 -15.239 1.00 0.00 C ATOM 0 H TRP A 99 10.477 -14.862 -14.544 1.00 0.00 H new ATOM 0 HA TRP A 99 9.735 -15.465 -17.314 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.568 -13.321 -16.360 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.711 -13.457 -17.882 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.943 -14.109 -15.752 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.782 -11.995 -14.839 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.369 -10.594 -17.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.481 -9.233 -14.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 11.206 -8.273 -16.325 1.00 0.00 H new ATOM 0 HH2 TRP A 99 9.333 -7.624 -14.830 1.00 0.00 H new ATOM 1481 N GLN A 100 11.707 -17.064 -17.487 1.00 0.00 N ATOM 1482 CA GLN A 100 12.765 -17.915 -18.070 1.00 0.00 C ATOM 1483 C GLN A 100 13.724 -17.222 -19.080 1.00 0.00 C ATOM 1484 O GLN A 100 13.847 -17.610 -20.241 1.00 0.00 O ATOM 1485 CB GLN A 100 12.104 -19.209 -18.598 1.00 0.00 C ATOM 1486 CG GLN A 100 10.802 -19.040 -19.412 1.00 0.00 C ATOM 1487 CD GLN A 100 10.992 -18.515 -20.837 1.00 0.00 C ATOM 1488 OE1 GLN A 100 11.450 -19.220 -21.727 1.00 0.00 O ATOM 1489 NE2 GLN A 100 10.612 -17.284 -21.128 1.00 0.00 N ATOM 0 H GLN A 100 10.790 -17.498 -17.593 1.00 0.00 H new ATOM 0 HA GLN A 100 13.468 -18.161 -17.274 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.829 -19.732 -19.221 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.891 -19.855 -17.746 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.294 -20.003 -19.461 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.142 -18.359 -18.875 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.228 -16.683 -20.399 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.702 -16.934 -22.082 1.00 0.00 H new ATOM 1498 N LEU A 101 14.426 -16.184 -18.616 1.00 0.00 N ATOM 1499 CA LEU A 101 15.433 -15.392 -19.328 1.00 0.00 C ATOM 1500 C LEU A 101 16.823 -16.051 -19.274 1.00 0.00 C ATOM 1501 O LEU A 101 17.166 -16.724 -18.303 1.00 0.00 O ATOM 1502 CB LEU A 101 15.511 -13.993 -18.676 1.00 0.00 C ATOM 1503 CG LEU A 101 14.240 -13.119 -18.678 1.00 0.00 C ATOM 1504 CD1 LEU A 101 14.541 -11.838 -17.916 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.815 -12.728 -20.089 1.00 0.00 C ATOM 0 H LEU A 101 14.295 -15.850 -17.661 1.00 0.00 H new ATOM 0 HA LEU A 101 15.137 -15.322 -20.375 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.823 -14.125 -17.640 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.301 -13.434 -19.179 1.00 0.00 H new ATOM 0 HG LEU A 101 13.436 -13.695 -18.220 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.654 -11.204 -17.905 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.825 -12.082 -16.892 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.359 -11.308 -18.404 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.916 -12.113 -20.041 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.616 -12.163 -20.567 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.609 -13.627 -20.669 1.00 0.00 H new ATOM 1517 N GLU A 102 17.667 -15.779 -20.270 1.00 0.00 N ATOM 1518 CA GLU A 102 19.094 -16.146 -20.260 1.00 0.00 C ATOM 1519 C GLU A 102 19.890 -15.289 -19.249 1.00 0.00 C ATOM 1520 O GLU A 102 19.398 -14.262 -18.779 1.00 0.00 O ATOM 1521 CB GLU A 102 19.625 -16.009 -21.705 1.00 0.00 C ATOM 1522 CG GLU A 102 21.080 -16.428 -21.953 1.00 0.00 C ATOM 1523 CD GLU A 102 21.347 -17.884 -21.522 1.00 0.00 C ATOM 1524 OE1 GLU A 102 21.640 -18.113 -20.323 1.00 0.00 O ATOM 1525 OE2 GLU A 102 21.246 -18.805 -22.370 1.00 0.00 O ATOM 0 H GLU A 102 17.381 -15.292 -21.119 1.00 0.00 H new ATOM 0 HA GLU A 102 19.221 -17.176 -19.928 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.985 -16.602 -22.359 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.515 -14.968 -22.009 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.314 -16.315 -23.012 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.747 -15.761 -21.407 1.00 0.00 H new ATOM 1532 N ASP A 103 21.093 -15.711 -18.856 1.00 0.00 N ATOM 1533 CA ASP A 103 22.033 -14.879 -18.090 1.00 0.00 C ATOM 1534 C ASP A 103 22.892 -14.081 -19.090 1.00 0.00 C ATOM 1535 O ASP A 103 23.736 -14.679 -19.770 1.00 0.00 O ATOM 1536 CB ASP A 103 22.917 -15.734 -17.173 1.00 0.00 C ATOM 1537 CG ASP A 103 23.981 -14.889 -16.441 1.00 0.00 C ATOM 1538 OD1 ASP A 103 23.761 -13.665 -16.260 1.00 0.00 O ATOM 1539 OD2 ASP A 103 25.016 -15.464 -16.030 1.00 0.00 O ATOM 0 H ASP A 103 21.448 -16.645 -19.060 1.00 0.00 H new ATOM 0 HA ASP A 103 21.477 -14.198 -17.446 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.292 -16.244 -16.440 1.00 0.00 H new ATOM 0 HB3 ASP A 103 23.411 -16.506 -17.763 1.00 0.00 H new ATOM 1544 N PRO A 104 22.694 -12.757 -19.234 1.00 0.00 N ATOM 1545 CA PRO A 104 23.325 -12.006 -20.322 1.00 0.00 C ATOM 1546 C PRO A 104 24.804 -11.650 -20.083 1.00 0.00 C ATOM 1547 O PRO A 104 25.484 -11.233 -21.020 1.00 0.00 O ATOM 1548 CB PRO A 104 22.435 -10.774 -20.468 1.00 0.00 C ATOM 1549 CG PRO A 104 21.990 -10.492 -19.033 1.00 0.00 C ATOM 1550 CD PRO A 104 21.790 -11.901 -18.465 1.00 0.00 C ATOM 0 HA PRO A 104 23.385 -12.602 -21.232 1.00 0.00 H new ATOM 0 HB2 PRO A 104 22.980 -9.932 -20.893 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.585 -10.967 -21.123 1.00 0.00 H new ATOM 0 HG2 PRO A 104 22.743 -9.933 -18.477 1.00 0.00 H new ATOM 0 HG3 PRO A 104 21.071 -9.907 -19.001 1.00 0.00 H new ATOM 0 HD2 PRO A 104 22.026 -11.934 -17.401 1.00 0.00 H new ATOM 0 HD3 PRO A 104 20.755 -12.225 -18.572 1.00 0.00 H new ATOM 1558 N ASP A 105 25.308 -11.821 -18.857 1.00 0.00 N ATOM 1559 CA ASP A 105 26.642 -11.431 -18.396 1.00 0.00 C ATOM 1560 C ASP A 105 27.777 -11.827 -19.366 1.00 0.00 C ATOM 1561 O ASP A 105 28.145 -13.001 -19.489 1.00 0.00 O ATOM 1562 CB ASP A 105 26.864 -12.039 -17.004 1.00 0.00 C ATOM 1563 CG ASP A 105 27.905 -11.254 -16.206 1.00 0.00 C ATOM 1564 OD1 ASP A 105 29.012 -10.974 -16.724 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.578 -10.855 -15.067 1.00 0.00 O ATOM 0 H ASP A 105 24.762 -12.262 -18.117 1.00 0.00 H new ATOM 0 HA ASP A 105 26.679 -10.342 -18.353 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.921 -12.053 -16.458 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.188 -13.075 -17.106 1.00 0.00 H new ATOM 1570 N GLY A 106 28.320 -10.837 -20.087 1.00 0.00 N ATOM 1571 CA GLY A 106 29.475 -10.999 -20.977 1.00 0.00 C ATOM 1572 C GLY A 106 29.243 -11.892 -22.207 1.00 0.00 C ATOM 1573 O GLY A 106 30.213 -12.251 -22.876 1.00 0.00 O ATOM 0 H GLY A 106 27.961 -9.883 -20.067 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.789 -10.013 -21.320 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.301 -11.414 -20.399 1.00 0.00 H new ATOM 1577 N GLN A 107 27.992 -12.272 -22.509 1.00 0.00 N ATOM 1578 CA GLN A 107 27.685 -13.202 -23.608 1.00 0.00 C ATOM 1579 C GLN A 107 27.820 -12.511 -24.972 1.00 0.00 C ATOM 1580 O GLN A 107 28.627 -12.916 -25.811 1.00 0.00 O ATOM 1581 CB GLN A 107 26.289 -13.827 -23.421 1.00 0.00 C ATOM 1582 CG GLN A 107 26.104 -14.587 -22.097 1.00 0.00 C ATOM 1583 CD GLN A 107 27.155 -15.671 -21.873 1.00 0.00 C ATOM 1584 OE1 GLN A 107 27.165 -16.709 -22.523 1.00 0.00 O ATOM 1585 NE2 GLN A 107 28.092 -15.471 -20.968 1.00 0.00 N ATOM 0 H GLN A 107 27.169 -11.946 -22.002 1.00 0.00 H new ATOM 0 HA GLN A 107 28.414 -14.012 -23.583 1.00 0.00 H new ATOM 0 HB2 GLN A 107 25.540 -13.037 -23.480 1.00 0.00 H new ATOM 0 HB3 GLN A 107 26.097 -14.511 -24.248 1.00 0.00 H new ATOM 0 HG2 GLN A 107 26.141 -13.878 -21.270 1.00 0.00 H new ATOM 0 HG3 GLN A 107 25.114 -15.042 -22.082 1.00 0.00 H new ATOM 0 HE21 GLN A 107 28.096 -14.611 -20.419 1.00 0.00 H new ATOM 0 HE22 GLN A 107 28.813 -16.176 -20.816 1.00 0.00 H new ATOM 1594 N SER A 108 27.037 -11.448 -25.166 1.00 0.00 N ATOM 1595 CA SER A 108 27.101 -10.493 -26.280 1.00 0.00 C ATOM 1596 C SER A 108 26.148 -9.337 -25.984 1.00 0.00 C ATOM 1597 O SER A 108 25.118 -9.541 -25.337 1.00 0.00 O ATOM 1598 CB SER A 108 26.697 -11.171 -27.603 1.00 0.00 C ATOM 1599 OG SER A 108 26.560 -10.211 -28.640 1.00 0.00 O ATOM 0 H SER A 108 26.293 -11.214 -24.509 1.00 0.00 H new ATOM 0 HA SER A 108 28.122 -10.127 -26.383 1.00 0.00 H new ATOM 0 HB2 SER A 108 27.448 -11.910 -27.882 1.00 0.00 H new ATOM 0 HB3 SER A 108 25.757 -11.706 -27.470 1.00 0.00 H new ATOM 0 HG SER A 108 26.305 -10.662 -29.472 1.00 0.00 H new ATOM 1605 N LEU A 109 26.421 -8.142 -26.511 1.00 0.00 N ATOM 1606 CA LEU A 109 25.498 -7.004 -26.430 1.00 0.00 C ATOM 1607 C LEU A 109 24.156 -7.330 -27.106 1.00 0.00 C ATOM 1608 O LEU A 109 23.113 -6.910 -26.621 1.00 0.00 O ATOM 1609 CB LEU A 109 26.156 -5.751 -27.042 1.00 0.00 C ATOM 1610 CG LEU A 109 27.165 -5.045 -26.114 1.00 0.00 C ATOM 1611 CD1 LEU A 109 28.466 -5.818 -25.889 1.00 0.00 C ATOM 1612 CD2 LEU A 109 27.536 -3.682 -26.694 1.00 0.00 C ATOM 0 H LEU A 109 27.288 -7.934 -27.006 1.00 0.00 H new ATOM 0 HA LEU A 109 25.283 -6.798 -25.381 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.665 -6.036 -27.963 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.375 -5.042 -27.316 1.00 0.00 H new ATOM 0 HG LEU A 109 26.659 -4.964 -25.152 1.00 0.00 H new ATOM 0 HD11 LEU A 109 29.117 -5.249 -25.225 1.00 0.00 H new ATOM 0 HD12 LEU A 109 28.242 -6.784 -25.437 1.00 0.00 H new ATOM 0 HD13 LEU A 109 28.968 -5.972 -26.844 1.00 0.00 H new ATOM 0 HD21 LEU A 109 28.249 -3.188 -26.034 1.00 0.00 H new ATOM 0 HD22 LEU A 109 27.985 -3.815 -27.678 1.00 0.00 H new ATOM 0 HD23 LEU A 109 26.639 -3.069 -26.784 1.00 0.00 H new ATOM 1624 N GLU A 110 24.150 -8.174 -28.141 1.00 0.00 N ATOM 1625 CA GLU A 110 22.920 -8.670 -28.780 1.00 0.00 C ATOM 1626 C GLU A 110 22.070 -9.522 -27.829 1.00 0.00 C ATOM 1627 O GLU A 110 20.845 -9.400 -27.807 1.00 0.00 O ATOM 1628 CB GLU A 110 23.295 -9.533 -29.989 1.00 0.00 C ATOM 1629 CG GLU A 110 23.980 -8.738 -31.107 1.00 0.00 C ATOM 1630 CD GLU A 110 24.237 -9.634 -32.335 1.00 0.00 C ATOM 1631 OE1 GLU A 110 25.312 -10.278 -32.412 1.00 0.00 O ATOM 1632 OE2 GLU A 110 23.366 -9.695 -33.239 1.00 0.00 O ATOM 0 H GLU A 110 25.003 -8.537 -28.565 1.00 0.00 H new ATOM 0 HA GLU A 110 22.334 -7.799 -29.075 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.957 -10.335 -29.664 1.00 0.00 H new ATOM 0 HB3 GLU A 110 22.395 -10.004 -30.385 1.00 0.00 H new ATOM 0 HG2 GLU A 110 23.356 -7.891 -31.393 1.00 0.00 H new ATOM 0 HG3 GLU A 110 24.924 -8.330 -30.744 1.00 0.00 H new ATOM 1639 N VAL A 111 22.707 -10.341 -26.985 1.00 0.00 N ATOM 1640 CA VAL A 111 22.018 -11.169 -25.974 1.00 0.00 C ATOM 1641 C VAL A 111 21.518 -10.272 -24.848 1.00 0.00 C ATOM 1642 O VAL A 111 20.380 -10.420 -24.406 1.00 0.00 O ATOM 1643 CB VAL A 111 22.935 -12.296 -25.445 1.00 0.00 C ATOM 1644 CG1 VAL A 111 22.289 -13.101 -24.306 1.00 0.00 C ATOM 1645 CG2 VAL A 111 23.273 -13.284 -26.566 1.00 0.00 C ATOM 0 H VAL A 111 23.721 -10.453 -26.980 1.00 0.00 H new ATOM 0 HA VAL A 111 21.163 -11.660 -26.438 1.00 0.00 H new ATOM 0 HB VAL A 111 23.830 -11.800 -25.069 1.00 0.00 H new ATOM 0 HG11 VAL A 111 22.977 -13.878 -23.974 1.00 0.00 H new ATOM 0 HG12 VAL A 111 22.064 -12.436 -23.473 1.00 0.00 H new ATOM 0 HG13 VAL A 111 21.367 -13.561 -24.663 1.00 0.00 H new ATOM 0 HG21 VAL A 111 23.919 -14.070 -26.175 1.00 0.00 H new ATOM 0 HG22 VAL A 111 22.354 -13.727 -26.950 1.00 0.00 H new ATOM 0 HG23 VAL A 111 23.787 -12.759 -27.371 1.00 0.00 H new ATOM 1655 N PHE A 112 22.325 -9.282 -24.456 1.00 0.00 N ATOM 1656 CA PHE A 112 21.961 -8.287 -23.439 1.00 0.00 C ATOM 1657 C PHE A 112 20.721 -7.484 -23.859 1.00 0.00 C ATOM 1658 O PHE A 112 19.764 -7.366 -23.098 1.00 0.00 O ATOM 1659 CB PHE A 112 23.188 -7.392 -23.151 1.00 0.00 C ATOM 1660 CG PHE A 112 23.575 -7.345 -21.693 1.00 0.00 C ATOM 1661 CD1 PHE A 112 22.806 -6.602 -20.784 1.00 0.00 C ATOM 1662 CD2 PHE A 112 24.683 -8.080 -21.237 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.137 -6.600 -19.418 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.013 -8.076 -19.873 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.252 -7.324 -18.963 1.00 0.00 C ATOM 0 H PHE A 112 23.260 -9.146 -24.839 1.00 0.00 H new ATOM 0 HA PHE A 112 21.683 -8.791 -22.513 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.036 -7.755 -23.731 1.00 0.00 H new ATOM 0 HB3 PHE A 112 22.977 -6.379 -23.495 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.959 -6.031 -21.135 1.00 0.00 H new ATOM 0 HD2 PHE A 112 25.280 -8.647 -21.936 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.534 -6.042 -18.718 1.00 0.00 H new ATOM 0 HE2 PHE A 112 25.855 -8.653 -19.522 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.523 -7.302 -17.918 1.00 0.00 H new ATOM 1675 N ARG A 113 20.685 -7.022 -25.115 1.00 0.00 N ATOM 1676 CA ARG A 113 19.532 -6.322 -25.712 1.00 0.00 C ATOM 1677 C ARG A 113 18.335 -7.252 -25.924 1.00 0.00 C ATOM 1678 O ARG A 113 17.209 -6.839 -25.668 1.00 0.00 O ATOM 1679 CB ARG A 113 19.965 -5.638 -27.023 1.00 0.00 C ATOM 1680 CG ARG A 113 20.946 -4.487 -26.747 1.00 0.00 C ATOM 1681 CD ARG A 113 21.389 -3.819 -28.051 1.00 0.00 C ATOM 1682 NE ARG A 113 22.235 -2.631 -27.802 1.00 0.00 N ATOM 1683 CZ ARG A 113 23.155 -2.140 -28.619 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.519 -2.743 -29.715 1.00 0.00 N ATOM 1685 NH2 ARG A 113 23.727 -1.011 -28.343 1.00 0.00 N ATOM 0 H ARG A 113 21.469 -7.124 -25.760 1.00 0.00 H new ATOM 0 HA ARG A 113 19.196 -5.557 -25.012 1.00 0.00 H new ATOM 0 HB2 ARG A 113 20.433 -6.370 -27.681 1.00 0.00 H new ATOM 0 HB3 ARG A 113 19.088 -5.255 -27.545 1.00 0.00 H new ATOM 0 HG2 ARG A 113 20.473 -3.749 -26.099 1.00 0.00 H new ATOM 0 HG3 ARG A 113 21.818 -4.867 -26.215 1.00 0.00 H new ATOM 0 HD2 ARG A 113 21.941 -4.537 -28.658 1.00 0.00 H new ATOM 0 HD3 ARG A 113 20.510 -3.525 -28.625 1.00 0.00 H new ATOM 0 HE ARG A 113 22.097 -2.144 -26.917 1.00 0.00 H new ATOM 0 HH11 ARG A 113 23.091 -3.632 -29.975 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.232 -2.326 -30.314 1.00 0.00 H new ATOM 0 HH21 ARG A 113 23.469 -0.502 -27.498 1.00 0.00 H new ATOM 0 HH22 ARG A 113 24.436 -0.631 -28.971 1.00 0.00 H new ATOM 1699 N THR A 114 18.560 -8.519 -26.282 1.00 0.00 N ATOM 1700 CA THR A 114 17.488 -9.533 -26.404 1.00 0.00 C ATOM 1701 C THR A 114 16.753 -9.725 -25.079 1.00 0.00 C ATOM 1702 O THR A 114 15.531 -9.580 -25.041 1.00 0.00 O ATOM 1703 CB THR A 114 18.018 -10.882 -26.929 1.00 0.00 C ATOM 1704 OG1 THR A 114 18.517 -10.726 -28.240 1.00 0.00 O ATOM 1705 CG2 THR A 114 16.942 -11.973 -27.001 1.00 0.00 C ATOM 0 H THR A 114 19.489 -8.880 -26.498 1.00 0.00 H new ATOM 0 HA THR A 114 16.780 -9.152 -27.140 1.00 0.00 H new ATOM 0 HB THR A 114 18.789 -11.188 -26.221 1.00 0.00 H new ATOM 0 HG1 THR A 114 19.348 -10.207 -28.214 1.00 0.00 H new ATOM 0 HG21 THR A 114 17.384 -12.895 -27.379 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.533 -12.147 -26.006 1.00 0.00 H new ATOM 0 HG23 THR A 114 16.143 -11.653 -27.670 1.00 0.00 H new ATOM 1713 N VAL A 115 17.460 -9.960 -23.962 1.00 0.00 N ATOM 1714 CA VAL A 115 16.780 -10.090 -22.670 1.00 0.00 C ATOM 1715 C VAL A 115 16.215 -8.762 -22.169 1.00 0.00 C ATOM 1716 O VAL A 115 15.154 -8.799 -21.564 1.00 0.00 O ATOM 1717 CB VAL A 115 17.622 -10.830 -21.618 1.00 0.00 C ATOM 1718 CG1 VAL A 115 17.956 -12.258 -22.056 1.00 0.00 C ATOM 1719 CG2 VAL A 115 18.916 -10.121 -21.240 1.00 0.00 C ATOM 0 H VAL A 115 18.474 -10.061 -23.928 1.00 0.00 H new ATOM 0 HA VAL A 115 15.916 -10.731 -22.846 1.00 0.00 H new ATOM 0 HB VAL A 115 16.985 -10.847 -20.734 1.00 0.00 H new ATOM 0 HG11 VAL A 115 18.552 -12.745 -21.284 1.00 0.00 H new ATOM 0 HG12 VAL A 115 17.033 -12.817 -22.209 1.00 0.00 H new ATOM 0 HG13 VAL A 115 18.522 -12.230 -22.987 1.00 0.00 H new ATOM 0 HG21 VAL A 115 19.449 -10.710 -20.493 1.00 0.00 H new ATOM 0 HG22 VAL A 115 19.541 -10.007 -22.126 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.686 -9.138 -20.830 1.00 0.00 H new ATOM 1729 N ARG A 116 16.788 -7.590 -22.502 1.00 0.00 N ATOM 1730 CA ARG A 116 16.154 -6.287 -22.164 1.00 0.00 C ATOM 1731 C ARG A 116 14.848 -6.054 -22.933 1.00 0.00 C ATOM 1732 O ARG A 116 13.889 -5.568 -22.348 1.00 0.00 O ATOM 1733 CB ARG A 116 17.176 -5.114 -22.190 1.00 0.00 C ATOM 1734 CG ARG A 116 16.974 -4.068 -23.303 1.00 0.00 C ATOM 1735 CD ARG A 116 17.968 -2.897 -23.196 1.00 0.00 C ATOM 1736 NE ARG A 116 18.294 -2.261 -24.498 1.00 0.00 N ATOM 1737 CZ ARG A 116 17.514 -1.815 -25.468 1.00 0.00 C ATOM 1738 NH1 ARG A 116 16.212 -1.843 -25.424 1.00 0.00 N ATOM 1739 NH2 ARG A 116 18.068 -1.320 -26.530 1.00 0.00 N ATOM 0 H ARG A 116 17.676 -7.511 -22.998 1.00 0.00 H new ATOM 0 HA ARG A 116 15.831 -6.329 -21.124 1.00 0.00 H new ATOM 0 HB2 ARG A 116 17.138 -4.604 -21.228 1.00 0.00 H new ATOM 0 HB3 ARG A 116 18.177 -5.533 -22.289 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.087 -4.549 -24.275 1.00 0.00 H new ATOM 0 HG3 ARG A 116 15.956 -3.682 -23.255 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.554 -2.142 -22.528 1.00 0.00 H new ATOM 0 HD3 ARG A 116 18.889 -3.257 -22.738 1.00 0.00 H new ATOM 0 HE ARG A 116 19.292 -2.149 -24.674 1.00 0.00 H new ATOM 0 HH11 ARG A 116 15.737 -2.226 -24.606 1.00 0.00 H new ATOM 0 HH12 ARG A 116 15.667 -1.482 -26.207 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.085 -1.281 -26.604 1.00 0.00 H new ATOM 0 HH22 ARG A 116 17.487 -0.970 -27.292 1.00 0.00 H new ATOM 1753 N GLY A 117 14.775 -6.471 -24.196 1.00 0.00 N ATOM 1754 CA GLY A 117 13.547 -6.432 -25.007 1.00 0.00 C ATOM 1755 C GLY A 117 12.451 -7.350 -24.454 1.00 0.00 C ATOM 1756 O GLY A 117 11.307 -6.922 -24.296 1.00 0.00 O ATOM 0 H GLY A 117 15.577 -6.852 -24.698 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.174 -5.409 -25.047 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.781 -6.726 -26.030 1.00 0.00 H new ATOM 1760 N GLN A 118 12.811 -8.579 -24.059 1.00 0.00 N ATOM 1761 CA GLN A 118 11.903 -9.494 -23.343 1.00 0.00 C ATOM 1762 C GLN A 118 11.452 -8.922 -21.996 1.00 0.00 C ATOM 1763 O GLN A 118 10.260 -8.930 -21.679 1.00 0.00 O ATOM 1764 CB GLN A 118 12.598 -10.840 -23.097 1.00 0.00 C ATOM 1765 CG GLN A 118 12.725 -11.684 -24.373 1.00 0.00 C ATOM 1766 CD GLN A 118 13.321 -13.053 -24.060 1.00 0.00 C ATOM 1767 OE1 GLN A 118 14.340 -13.465 -24.592 1.00 0.00 O ATOM 1768 NE2 GLN A 118 12.712 -13.796 -23.159 1.00 0.00 N ATOM 0 H GLN A 118 13.739 -8.969 -24.225 1.00 0.00 H new ATOM 0 HA GLN A 118 11.023 -9.627 -23.973 1.00 0.00 H new ATOM 0 HB2 GLN A 118 13.591 -10.661 -22.684 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.038 -11.402 -22.349 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.744 -11.806 -24.833 1.00 0.00 H new ATOM 0 HG3 GLN A 118 13.354 -11.165 -25.096 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.860 -13.458 -22.711 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.092 -14.709 -22.910 1.00 0.00 H new ATOM 1777 N VAL A 119 12.403 -8.401 -21.210 1.00 0.00 N ATOM 1778 CA VAL A 119 12.132 -7.789 -19.904 1.00 0.00 C ATOM 1779 C VAL A 119 11.162 -6.626 -20.049 1.00 0.00 C ATOM 1780 O VAL A 119 10.198 -6.613 -19.305 1.00 0.00 O ATOM 1781 CB VAL A 119 13.432 -7.347 -19.191 1.00 0.00 C ATOM 1782 CG1 VAL A 119 13.239 -6.320 -18.065 1.00 0.00 C ATOM 1783 CG2 VAL A 119 14.113 -8.559 -18.560 1.00 0.00 C ATOM 0 H VAL A 119 13.390 -8.393 -21.465 1.00 0.00 H new ATOM 0 HA VAL A 119 11.667 -8.548 -19.275 1.00 0.00 H new ATOM 0 HB VAL A 119 14.026 -6.877 -19.975 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.206 -6.074 -17.627 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.784 -5.417 -18.471 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.590 -6.740 -17.297 1.00 0.00 H new ATOM 0 HG21 VAL A 119 15.028 -8.242 -18.059 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.441 -9.017 -17.834 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.357 -9.285 -19.336 1.00 0.00 H new ATOM 1793 N LYS A 120 11.346 -5.695 -20.997 1.00 0.00 N ATOM 1794 CA LYS A 120 10.467 -4.518 -21.189 1.00 0.00 C ATOM 1795 C LYS A 120 8.981 -4.895 -21.289 1.00 0.00 C ATOM 1796 O LYS A 120 8.144 -4.330 -20.594 1.00 0.00 O ATOM 1797 CB LYS A 120 10.935 -3.726 -22.421 1.00 0.00 C ATOM 1798 CG LYS A 120 10.133 -2.422 -22.579 1.00 0.00 C ATOM 1799 CD LYS A 120 10.621 -1.605 -23.782 1.00 0.00 C ATOM 1800 CE LYS A 120 9.878 -0.266 -23.937 1.00 0.00 C ATOM 1801 NZ LYS A 120 8.442 -0.435 -24.310 1.00 0.00 N ATOM 0 H LYS A 120 12.117 -5.733 -21.663 1.00 0.00 H new ATOM 0 HA LYS A 120 10.551 -3.888 -20.304 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.996 -3.495 -22.327 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.820 -4.338 -23.316 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.076 -2.656 -22.702 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.224 -1.825 -21.671 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.688 -1.412 -23.675 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.493 -2.193 -24.691 1.00 0.00 H new ATOM 0 HE2 LYS A 120 9.942 0.289 -23.001 1.00 0.00 H new ATOM 0 HE3 LYS A 120 10.377 0.334 -24.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 8.103 0.425 -24.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 8.343 -1.247 -24.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.878 -0.601 -23.452 1.00 0.00 H new ATOM 1815 N GLU A 121 8.662 -5.901 -22.094 1.00 0.00 N ATOM 1816 CA GLU A 121 7.291 -6.404 -22.256 1.00 0.00 C ATOM 1817 C GLU A 121 6.734 -7.010 -20.954 1.00 0.00 C ATOM 1818 O GLU A 121 5.635 -6.655 -20.521 1.00 0.00 O ATOM 1819 CB GLU A 121 7.265 -7.412 -23.416 1.00 0.00 C ATOM 1820 CG GLU A 121 5.847 -7.869 -23.770 1.00 0.00 C ATOM 1821 CD GLU A 121 5.854 -8.797 -25.001 1.00 0.00 C ATOM 1822 OE1 GLU A 121 6.038 -10.027 -24.840 1.00 0.00 O ATOM 1823 OE2 GLU A 121 5.664 -8.303 -26.139 1.00 0.00 O ATOM 0 H GLU A 121 9.349 -6.399 -22.660 1.00 0.00 H new ATOM 0 HA GLU A 121 6.634 -5.567 -22.494 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.727 -6.961 -24.294 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.867 -8.281 -23.150 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.407 -8.391 -22.920 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.221 -7.000 -23.970 1.00 0.00 H new ATOM 1830 N ARG A 122 7.503 -7.880 -20.286 1.00 0.00 N ATOM 1831 CA ARG A 122 7.054 -8.578 -19.064 1.00 0.00 C ATOM 1832 C ARG A 122 7.060 -7.695 -17.811 1.00 0.00 C ATOM 1833 O ARG A 122 6.179 -7.818 -16.965 1.00 0.00 O ATOM 1834 CB ARG A 122 7.885 -9.857 -18.877 1.00 0.00 C ATOM 1835 CG ARG A 122 7.494 -10.919 -19.916 1.00 0.00 C ATOM 1836 CD ARG A 122 8.225 -12.241 -19.681 1.00 0.00 C ATOM 1837 NE ARG A 122 7.567 -13.320 -20.445 1.00 0.00 N ATOM 1838 CZ ARG A 122 6.790 -14.290 -19.988 1.00 0.00 C ATOM 1839 NH1 ARG A 122 6.474 -14.395 -18.728 1.00 0.00 N ATOM 1840 NH2 ARG A 122 6.306 -15.180 -20.803 1.00 0.00 N ATOM 0 H ARG A 122 8.451 -8.122 -20.573 1.00 0.00 H new ATOM 0 HA ARG A 122 6.006 -8.845 -19.202 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.946 -9.624 -18.970 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.733 -10.251 -17.872 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.418 -11.087 -19.876 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.722 -10.550 -20.916 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.267 -12.150 -19.987 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.225 -12.483 -18.618 1.00 0.00 H new ATOM 0 HE ARG A 122 7.732 -13.318 -21.452 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.828 -13.715 -18.055 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.872 -15.157 -18.415 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.524 -15.133 -21.798 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.708 -15.926 -20.447 1.00 0.00 H new ATOM 1854 N VAL A 123 7.983 -6.745 -17.723 1.00 0.00 N ATOM 1855 CA VAL A 123 8.068 -5.759 -16.636 1.00 0.00 C ATOM 1856 C VAL A 123 6.976 -4.695 -16.760 1.00 0.00 C ATOM 1857 O VAL A 123 6.424 -4.310 -15.736 1.00 0.00 O ATOM 1858 CB VAL A 123 9.495 -5.214 -16.518 1.00 0.00 C ATOM 1859 CG1 VAL A 123 9.823 -4.166 -17.563 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.761 -4.606 -15.146 1.00 0.00 C ATOM 0 H VAL A 123 8.717 -6.630 -18.422 1.00 0.00 H new ATOM 0 HA VAL A 123 7.863 -6.247 -15.683 1.00 0.00 H new ATOM 0 HB VAL A 123 10.134 -6.083 -16.676 1.00 0.00 H new ATOM 0 HG11 VAL A 123 10.848 -3.822 -17.424 1.00 0.00 H new ATOM 0 HG12 VAL A 123 9.718 -4.599 -18.558 1.00 0.00 H new ATOM 0 HG13 VAL A 123 9.140 -3.323 -17.460 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.784 -4.232 -15.106 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.067 -3.784 -14.972 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.622 -5.367 -14.378 1.00 0.00 H new ATOM 1870 N GLU A 124 6.580 -4.297 -17.981 1.00 0.00 N ATOM 1871 CA GLU A 124 5.382 -3.467 -18.191 1.00 0.00 C ATOM 1872 C GLU A 124 4.157 -4.236 -17.678 1.00 0.00 C ATOM 1873 O GLU A 124 3.477 -3.772 -16.770 1.00 0.00 O ATOM 1874 CB GLU A 124 5.162 -3.119 -19.680 1.00 0.00 C ATOM 1875 CG GLU A 124 5.967 -1.913 -20.175 1.00 0.00 C ATOM 1876 CD GLU A 124 5.680 -1.582 -21.655 1.00 0.00 C ATOM 1877 OE1 GLU A 124 4.491 -1.459 -22.040 1.00 0.00 O ATOM 1878 OE2 GLU A 124 6.642 -1.392 -22.440 1.00 0.00 O ATOM 0 H GLU A 124 7.074 -4.538 -18.840 1.00 0.00 H new ATOM 0 HA GLU A 124 5.523 -2.532 -17.649 1.00 0.00 H new ATOM 0 HB2 GLU A 124 5.422 -3.987 -20.285 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.102 -2.924 -19.842 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.732 -1.045 -19.559 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.031 -2.114 -20.050 1.00 0.00 H new ATOM 1885 N ASN A 125 3.941 -5.452 -18.195 1.00 0.00 N ATOM 1886 CA ASN A 125 2.858 -6.370 -17.821 1.00 0.00 C ATOM 1887 C ASN A 125 2.756 -6.572 -16.293 1.00 0.00 C ATOM 1888 O ASN A 125 1.653 -6.598 -15.753 1.00 0.00 O ATOM 1889 CB ASN A 125 3.116 -7.690 -18.586 1.00 0.00 C ATOM 1890 CG ASN A 125 2.040 -8.763 -18.488 1.00 0.00 C ATOM 1891 OD1 ASN A 125 0.936 -8.563 -18.003 1.00 0.00 O ATOM 1892 ND2 ASN A 125 2.330 -9.949 -18.978 1.00 0.00 N ATOM 0 H ASN A 125 4.545 -5.841 -18.919 1.00 0.00 H new ATOM 0 HA ASN A 125 1.889 -5.955 -18.099 1.00 0.00 H new ATOM 0 HB2 ASN A 125 3.261 -7.449 -19.639 1.00 0.00 H new ATOM 0 HB3 ASN A 125 4.053 -8.114 -18.225 1.00 0.00 H new ATOM 0 HD21 ASN A 125 1.635 -10.695 -18.952 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.250 -10.122 -19.384 1.00 0.00 H new ATOM 1899 N LEU A 126 3.886 -6.653 -15.574 1.00 0.00 N ATOM 1900 CA LEU A 126 3.905 -6.797 -14.116 1.00 0.00 C ATOM 1901 C LEU A 126 3.635 -5.477 -13.375 1.00 0.00 C ATOM 1902 O LEU A 126 2.659 -5.382 -12.632 1.00 0.00 O ATOM 1903 CB LEU A 126 5.238 -7.461 -13.716 1.00 0.00 C ATOM 1904 CG LEU A 126 5.340 -8.044 -12.292 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.459 -6.978 -11.208 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.175 -8.972 -11.944 1.00 0.00 C ATOM 0 H LEU A 126 4.815 -6.620 -15.993 1.00 0.00 H new ATOM 0 HA LEU A 126 3.080 -7.439 -13.806 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.440 -8.264 -14.424 1.00 0.00 H new ATOM 0 HB3 LEU A 126 6.031 -6.723 -13.836 1.00 0.00 H new ATOM 0 HG LEU A 126 6.263 -8.623 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.527 -7.458 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.354 -6.381 -11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.581 -6.332 -11.235 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.302 -9.351 -10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.238 -8.420 -12.010 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.154 -9.807 -12.644 1.00 0.00 H new ATOM 1918 N ILE A 127 4.472 -4.445 -13.562 1.00 0.00 N ATOM 1919 CA ILE A 127 4.378 -3.171 -12.839 1.00 0.00 C ATOM 1920 C ILE A 127 3.012 -2.494 -13.057 1.00 0.00 C ATOM 1921 O ILE A 127 2.422 -1.939 -12.132 1.00 0.00 O ATOM 1922 CB ILE A 127 5.589 -2.294 -13.255 1.00 0.00 C ATOM 1923 CG1 ILE A 127 6.226 -1.550 -12.076 1.00 0.00 C ATOM 1924 CG2 ILE A 127 5.342 -1.348 -14.440 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.275 -0.659 -11.275 1.00 0.00 C ATOM 0 H ILE A 127 5.243 -4.474 -14.229 1.00 0.00 H new ATOM 0 HA ILE A 127 4.429 -3.334 -11.762 1.00 0.00 H new ATOM 0 HB ILE A 127 6.308 -3.028 -13.619 1.00 0.00 H new ATOM 0 HG12 ILE A 127 6.666 -2.283 -11.400 1.00 0.00 H new ATOM 0 HG13 ILE A 127 7.042 -0.934 -12.454 1.00 0.00 H new ATOM 0 HG21 ILE A 127 6.250 -0.782 -14.649 1.00 0.00 H new ATOM 0 HG22 ILE A 127 5.067 -1.930 -15.319 1.00 0.00 H new ATOM 0 HG23 ILE A 127 4.534 -0.660 -14.194 1.00 0.00 H new ATOM 0 HD11 ILE A 127 5.823 -0.178 -10.465 1.00 0.00 H new ATOM 0 HD12 ILE A 127 4.853 0.103 -11.930 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.471 -1.266 -10.859 1.00 0.00 H new ATOM 1937 N ALA A 128 2.445 -2.648 -14.253 1.00 0.00 N ATOM 1938 CA ALA A 128 1.170 -2.053 -14.655 1.00 0.00 C ATOM 1939 C ALA A 128 -0.078 -2.745 -14.042 1.00 0.00 C ATOM 1940 O ALA A 128 -1.206 -2.311 -14.285 1.00 0.00 O ATOM 1941 CB ALA A 128 1.143 -1.956 -16.186 1.00 0.00 C ATOM 0 H ALA A 128 2.873 -3.207 -14.991 1.00 0.00 H new ATOM 0 HA ALA A 128 1.106 -1.048 -14.237 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.199 -1.514 -16.506 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.969 -1.332 -16.526 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.241 -2.953 -16.616 1.00 0.00 H new ATOM 1947 N LYS A 129 0.114 -3.798 -13.225 1.00 0.00 N ATOM 1948 CA LYS A 129 -0.934 -4.437 -12.393 1.00 0.00 C ATOM 1949 C LYS A 129 -0.924 -3.962 -10.932 1.00 0.00 C ATOM 1950 O LYS A 129 -1.870 -4.244 -10.195 1.00 0.00 O ATOM 1951 CB LYS A 129 -0.805 -5.966 -12.482 1.00 0.00 C ATOM 1952 CG LYS A 129 -1.160 -6.475 -13.883 1.00 0.00 C ATOM 1953 CD LYS A 129 -0.956 -7.991 -13.999 1.00 0.00 C ATOM 1954 CE LYS A 129 -1.076 -8.381 -15.475 1.00 0.00 C ATOM 1955 NZ LYS A 129 -1.040 -9.858 -15.672 1.00 0.00 N ATOM 0 H LYS A 129 1.026 -4.243 -13.120 1.00 0.00 H new ATOM 0 HA LYS A 129 -1.899 -4.129 -12.795 1.00 0.00 H new ATOM 0 HB2 LYS A 129 0.214 -6.262 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.461 -6.432 -11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -2.197 -6.228 -14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.543 -5.966 -14.623 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.022 -8.273 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -1.700 -8.521 -13.405 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -2.008 -7.985 -15.879 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.264 -7.921 -16.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -1.124 -10.075 -16.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.140 -10.235 -15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -1.830 -10.296 -15.157 1.00 0.00 H new ATOM 1969 N ILE A 130 0.120 -3.236 -10.522 1.00 0.00 N ATOM 1970 CA ILE A 130 0.281 -2.641 -9.180 1.00 0.00 C ATOM 1971 C ILE A 130 0.377 -1.103 -9.201 1.00 0.00 C ATOM 1972 O ILE A 130 0.466 -0.483 -8.138 1.00 0.00 O ATOM 1973 CB ILE A 130 1.450 -3.303 -8.410 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.761 -3.335 -9.222 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.029 -4.714 -7.962 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.968 -3.876 -8.456 1.00 0.00 C ATOM 0 H ILE A 130 0.910 -3.035 -11.135 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.635 -2.858 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 130 1.664 -2.692 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.608 -3.946 -10.112 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.987 -2.325 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.850 -5.183 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.157 -4.644 -7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.782 -5.315 -8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.845 -3.862 -9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 130 4.153 -3.253 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.768 -4.899 -8.137 1.00 0.00 H new ATOM 1988 N SER A 131 0.313 -0.481 -10.386 1.00 0.00 N ATOM 1989 CA SER A 131 0.175 0.974 -10.576 1.00 0.00 C ATOM 1990 C SER A 131 -1.187 1.532 -10.118 1.00 0.00 C ATOM 1991 O SER A 131 -2.189 0.779 -10.035 1.00 0.00 O ATOM 1992 CB SER A 131 0.453 1.346 -12.036 1.00 0.00 C ATOM 1993 OG SER A 131 -0.378 0.597 -12.912 1.00 0.00 O ATOM 1994 OXT SER A 131 -1.247 2.748 -9.814 1.00 0.00 O ATOM 0 H SER A 131 0.357 -0.991 -11.268 1.00 0.00 H new ATOM 0 HA SER A 131 0.919 1.442 -9.932 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.279 2.412 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.501 1.158 -12.271 1.00 0.00 H new ATOM 0 HG SER A 131 -0.187 0.849 -13.839 1.00 0.00 H new TER 2000 SER A 131