USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 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 92 THR OG1 : rot 180:sc= 0.0653 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.714 K(o=0.78,f=-3.3!) USER MOD Set 2.1: A 16 GLN : amide:sc= -1.49! K(o=-0.73!,f=-0.18) USER MOD Set 2.2: A 60 GLN : amide:sc= 0.759 K(o=-0.73,f=-2.1) USER MOD Set 3.1: A 34 SER OG : rot -81:sc= 1.22 USER MOD Set 3.2: A 61 THR OG1 : rot -159:sc= 1.39 USER MOD Set 4.1: A 11 ASN : amide:sc= -0.0687 X(o=2.3,f=2.1) USER MOD Set 4.2: A 12 SER OG : rot 101:sc= 0.875 USER MOD Set 4.3: A 13 CYS SG : rot 54:sc= 0.614 USER MOD Set 4.4: A 39 SER OG : rot 170:sc= 1.05 USER MOD Set 4.5: A 43 HIS : no HD1:sc= -0.428 K(o=2.3,f=1.5) USER MOD Set 4.6: A 45 THR OG1 : rot 114:sc= 0.289 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0997 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.17) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.19) USER MOD Single : A 5 MET CE :methyl -176:sc= -0.0248 (180deg=-0.0536) USER MOD Single : A 8 CYS SG : rot 140:sc= -0.145 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.16) USER MOD Single : A 15 SER OG : rot -177:sc= -0.451 USER MOD Single : A 17 MET CE :methyl -163:sc= -1.34 (180deg=-2.63!) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.2) USER MOD Single : A 24 THR OG1 : rot 98:sc= 0.421 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 1.29 (180deg=1.01) USER MOD Single : A 33 THR OG1 : rot -170:sc=-0.00167 USER MOD Single : A 35 CYS SG : rot -105:sc= 0.602 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 169:sc= -0.998 (180deg=-1.51) USER MOD Single : A 50 MET CE :methyl -173:sc= -1.39 (180deg=-1.55) USER MOD Single : A 58 SER OG : rot -77:sc= 1.25 USER MOD Single : A 62 SER OG : rot 28:sc= 0.651 USER MOD Single : A 67 ASN : amide:sc= 0.407 K(o=0.41,f=-0.25) USER MOD Single : A 69 ASN : amide:sc= 0.896 K(o=0.9,f=-0.014) USER MOD Single : A 73 TYR OH : rot 64:sc= 0.0067 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0.137 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 1.06 K(o=1.1,f=-0.00034) USER MOD Single : A 107 GLN : amide:sc= 0.08 X(o=0.08,f=-0.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 114 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 118 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0054) USER MOD Single : A 120 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.1) USER MOD Single : A 125 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.966 -0.940 1.373 1.00 0.00 N ATOM 2 CA MET A 1 1.838 -0.411 0.273 1.00 0.00 C ATOM 3 C MET A 1 2.828 -1.491 -0.217 1.00 0.00 C ATOM 4 O MET A 1 2.894 -2.573 0.364 1.00 0.00 O ATOM 5 CB MET A 1 2.608 0.874 0.693 1.00 0.00 C ATOM 6 CG MET A 1 1.761 2.095 1.085 1.00 0.00 C ATOM 7 SD MET A 1 0.376 2.521 -0.021 1.00 0.00 S ATOM 8 CE MET A 1 1.248 3.284 -1.419 1.00 0.00 C ATOM 0 H1 MET A 1 -0.030 -0.904 1.074 1.00 0.00 H new ATOM 0 H2 MET A 1 1.230 -1.924 1.582 1.00 0.00 H new ATOM 0 H3 MET A 1 1.092 -0.359 2.226 1.00 0.00 H new ATOM 0 HA MET A 1 1.174 -0.141 -0.548 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.252 0.623 1.536 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.260 1.164 -0.131 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.359 1.923 2.083 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.421 2.960 1.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.525 3.594 -2.174 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.804 4.154 -1.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.940 2.563 -1.854 1.00 0.00 H new ATOM 18 N LYS A 2 3.639 -1.197 -1.254 1.00 0.00 N ATOM 19 CA LYS A 2 4.747 -2.074 -1.683 1.00 0.00 C ATOM 20 C LYS A 2 5.682 -2.227 -0.498 1.00 0.00 C ATOM 21 O LYS A 2 5.956 -1.222 0.153 1.00 0.00 O ATOM 22 CB LYS A 2 5.543 -1.534 -2.899 1.00 0.00 C ATOM 23 CG LYS A 2 4.704 -1.104 -4.112 1.00 0.00 C ATOM 24 CD LYS A 2 4.097 0.325 -4.080 1.00 0.00 C ATOM 25 CE LYS A 2 5.064 1.500 -4.373 1.00 0.00 C ATOM 26 NZ LYS A 2 4.673 2.213 -5.624 1.00 0.00 N ATOM 0 H LYS A 2 3.545 -0.350 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 2 4.319 -3.023 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.136 -0.680 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.244 -2.304 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.328 -1.187 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.887 -1.816 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.284 0.365 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.656 0.485 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.059 2.198 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.082 1.123 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.464 2.806 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.438 1.518 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.844 2.813 -5.437 1.00 0.00 H new ATOM 40 N LYS A 3 6.171 -3.422 -0.199 1.00 0.00 N ATOM 41 CA LYS A 3 6.930 -3.672 1.024 1.00 0.00 C ATOM 42 C LYS A 3 8.383 -3.899 0.647 1.00 0.00 C ATOM 43 O LYS A 3 8.661 -4.474 -0.405 1.00 0.00 O ATOM 44 CB LYS A 3 6.317 -4.831 1.834 1.00 0.00 C ATOM 45 CG LYS A 3 4.780 -4.825 1.926 1.00 0.00 C ATOM 46 CD LYS A 3 4.164 -6.020 2.674 1.00 0.00 C ATOM 47 CE LYS A 3 4.870 -6.365 3.999 1.00 0.00 C ATOM 48 NZ LYS A 3 4.168 -7.429 4.762 1.00 0.00 N ATOM 0 H LYS A 3 6.055 -4.244 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 3 6.883 -2.808 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.635 -5.773 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.726 -4.803 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.465 -3.906 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.372 -4.800 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.115 -5.805 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.189 -6.894 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.890 -6.687 3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.939 -5.468 4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.582 -7.505 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.159 -7.191 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.272 -8.337 4.266 1.00 0.00 H new ATOM 62 N VAL A 4 9.299 -3.466 1.504 1.00 0.00 N ATOM 63 CA VAL A 4 10.729 -3.498 1.241 1.00 0.00 C ATOM 64 C VAL A 4 11.427 -4.202 2.396 1.00 0.00 C ATOM 65 O VAL A 4 10.938 -4.150 3.526 1.00 0.00 O ATOM 66 CB VAL A 4 11.305 -2.087 1.029 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.714 -2.169 0.422 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.449 -1.212 0.095 1.00 0.00 C ATOM 0 H VAL A 4 9.063 -3.076 2.417 1.00 0.00 H new ATOM 0 HA VAL A 4 10.902 -4.048 0.316 1.00 0.00 H new ATOM 0 HB VAL A 4 11.320 -1.627 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.107 -1.163 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.369 -2.722 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.667 -2.681 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.912 -0.231 -0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.377 -1.687 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.451 -1.098 0.517 1.00 0.00 H new ATOM 78 N MET A 5 12.590 -4.798 2.138 1.00 0.00 N ATOM 79 CA MET A 5 13.375 -5.499 3.130 1.00 0.00 C ATOM 80 C MET A 5 14.829 -5.098 2.955 1.00 0.00 C ATOM 81 O MET A 5 15.309 -5.045 1.819 1.00 0.00 O ATOM 82 CB MET A 5 13.218 -7.003 2.921 1.00 0.00 C ATOM 83 CG MET A 5 13.869 -7.817 4.045 1.00 0.00 C ATOM 84 SD MET A 5 13.256 -7.484 5.720 1.00 0.00 S ATOM 85 CE MET A 5 11.643 -8.305 5.635 1.00 0.00 C ATOM 0 H MET A 5 13.014 -4.802 1.211 1.00 0.00 H new ATOM 0 HA MET A 5 13.040 -5.245 4.136 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.158 -7.251 2.863 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.664 -7.284 1.967 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.726 -8.876 3.830 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.943 -7.630 4.028 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.099 -8.136 6.564 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.071 -7.899 4.801 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.787 -9.376 5.489 1.00 0.00 H new ATOM 95 N PHE A 6 15.524 -4.875 4.072 1.00 0.00 N ATOM 96 CA PHE A 6 16.931 -4.514 4.102 1.00 0.00 C ATOM 97 C PHE A 6 17.633 -5.537 4.983 1.00 0.00 C ATOM 98 O PHE A 6 17.445 -5.561 6.204 1.00 0.00 O ATOM 99 CB PHE A 6 17.131 -3.093 4.619 1.00 0.00 C ATOM 100 CG PHE A 6 16.505 -2.052 3.725 1.00 0.00 C ATOM 101 CD1 PHE A 6 15.134 -1.782 3.852 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.250 -1.438 2.701 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.499 -0.943 2.932 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.616 -0.556 1.812 1.00 0.00 C ATOM 105 CZ PHE A 6 15.238 -0.312 1.919 1.00 0.00 C ATOM 0 H PHE A 6 15.108 -4.944 5.001 1.00 0.00 H new ATOM 0 HA PHE A 6 17.352 -4.526 3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.704 -3.011 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.198 -2.892 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.569 -2.222 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.305 -1.645 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.434 -0.779 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.191 -0.063 1.042 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.749 0.357 1.226 1.00 0.00 H new ATOM 115 N VAL A 7 18.393 -6.436 4.374 1.00 0.00 N ATOM 116 CA VAL A 7 18.975 -7.558 5.094 1.00 0.00 C ATOM 117 C VAL A 7 20.272 -7.064 5.730 1.00 0.00 C ATOM 118 O VAL A 7 21.145 -6.520 5.047 1.00 0.00 O ATOM 119 CB VAL A 7 19.159 -8.783 4.185 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.421 -10.035 5.031 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.911 -9.040 3.318 1.00 0.00 C ATOM 0 H VAL A 7 18.621 -6.409 3.380 1.00 0.00 H new ATOM 0 HA VAL A 7 18.307 -7.908 5.881 1.00 0.00 H new ATOM 0 HB VAL A 7 20.009 -8.575 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.550 -10.897 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.325 -9.891 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.575 -10.208 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.079 -9.914 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.050 -9.217 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.720 -8.171 2.688 1.00 0.00 H new ATOM 131 N CYS A 8 20.347 -7.195 7.049 1.00 0.00 N ATOM 132 CA CYS A 8 21.457 -6.826 7.907 1.00 0.00 C ATOM 133 C CYS A 8 22.666 -7.735 7.673 1.00 0.00 C ATOM 134 O CYS A 8 22.534 -8.873 7.218 1.00 0.00 O ATOM 135 CB CYS A 8 20.973 -6.883 9.361 1.00 0.00 C ATOM 136 SG CYS A 8 19.755 -5.567 9.652 1.00 0.00 S ATOM 0 H CYS A 8 19.574 -7.592 7.583 1.00 0.00 H new ATOM 0 HA CYS A 8 21.789 -5.814 7.674 1.00 0.00 H new ATOM 0 HB2 CYS A 8 20.528 -7.856 9.569 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.817 -6.767 10.040 1.00 0.00 H new ATOM 0 HG CYS A 8 18.794 -6.023 10.399 1.00 0.00 H new ATOM 142 N LYS A 9 23.851 -7.218 8.021 1.00 0.00 N ATOM 143 CA LYS A 9 25.091 -7.990 8.077 1.00 0.00 C ATOM 144 C LYS A 9 25.904 -7.440 9.257 1.00 0.00 C ATOM 145 O LYS A 9 25.357 -7.380 10.353 1.00 0.00 O ATOM 146 CB LYS A 9 25.771 -8.022 6.680 1.00 0.00 C ATOM 147 CG LYS A 9 26.414 -9.381 6.331 1.00 0.00 C ATOM 148 CD LYS A 9 27.465 -9.903 7.329 1.00 0.00 C ATOM 149 CE LYS A 9 27.910 -11.327 6.954 1.00 0.00 C ATOM 150 NZ LYS A 9 28.715 -11.957 8.036 1.00 0.00 N ATOM 0 H LYS A 9 23.973 -6.238 8.274 1.00 0.00 H new ATOM 0 HA LYS A 9 24.945 -9.050 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.030 -7.775 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.537 -7.248 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.622 -10.125 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.882 -9.299 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.328 -9.237 7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.050 -9.900 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.032 -11.940 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.497 -11.295 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 29.109 -12.857 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.491 -11.320 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.108 -12.135 8.862 1.00 0.00 H new ATOM 164 N ARG A 10 27.157 -7.018 9.056 1.00 0.00 N ATOM 165 CA ARG A 10 28.113 -6.674 10.118 1.00 0.00 C ATOM 166 C ARG A 10 27.506 -5.721 11.149 1.00 0.00 C ATOM 167 O ARG A 10 27.171 -4.587 10.813 1.00 0.00 O ATOM 168 CB ARG A 10 29.404 -6.115 9.470 1.00 0.00 C ATOM 169 CG ARG A 10 30.709 -6.559 10.151 1.00 0.00 C ATOM 170 CD ARG A 10 30.972 -5.970 11.544 1.00 0.00 C ATOM 171 NE ARG A 10 31.972 -6.759 12.290 1.00 0.00 N ATOM 172 CZ ARG A 10 33.306 -6.635 12.239 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.891 -5.783 11.400 1.00 0.00 N ATOM 174 NH2 ARG A 10 34.068 -7.389 13.033 1.00 0.00 N ATOM 0 H ARG A 10 27.548 -6.902 8.121 1.00 0.00 H new ATOM 0 HA ARG A 10 28.369 -7.573 10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 10 29.432 -6.423 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 10 29.357 -5.026 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.702 -7.646 10.233 1.00 0.00 H new ATOM 0 HG3 ARG A 10 31.543 -6.293 9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.320 -4.942 11.445 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.040 -5.938 12.108 1.00 0.00 H new ATOM 0 HE ARG A 10 31.607 -7.479 12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 10 33.322 -5.208 10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.908 -5.705 11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.635 -8.054 13.673 1.00 0.00 H new ATOM 0 HH22 ARG A 10 35.084 -7.300 13.000 1.00 0.00 H new ATOM 188 N ASN A 11 27.369 -6.201 12.394 1.00 0.00 N ATOM 189 CA ASN A 11 26.758 -5.514 13.544 1.00 0.00 C ATOM 190 C ASN A 11 25.423 -4.821 13.221 1.00 0.00 C ATOM 191 O ASN A 11 25.072 -3.842 13.870 1.00 0.00 O ATOM 192 CB ASN A 11 27.786 -4.578 14.219 1.00 0.00 C ATOM 193 CG ASN A 11 27.321 -4.065 15.589 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.703 -4.787 16.369 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.624 -2.819 15.922 1.00 0.00 N ATOM 0 H ASN A 11 27.701 -7.133 12.641 1.00 0.00 H new ATOM 0 HA ASN A 11 26.481 -6.282 14.266 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.730 -5.110 14.338 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.979 -3.728 13.565 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.344 -2.452 16.832 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.137 -2.227 15.269 1.00 0.00 H new ATOM 202 N SER A 12 24.678 -5.302 12.220 1.00 0.00 N ATOM 203 CA SER A 12 23.360 -4.849 11.744 1.00 0.00 C ATOM 204 C SER A 12 23.187 -3.389 11.302 1.00 0.00 C ATOM 205 O SER A 12 22.290 -3.106 10.508 1.00 0.00 O ATOM 206 CB SER A 12 22.314 -5.186 12.800 1.00 0.00 C ATOM 207 OG SER A 12 22.477 -6.536 13.209 1.00 0.00 O ATOM 0 H SER A 12 25.011 -6.093 11.669 1.00 0.00 H new ATOM 0 HA SER A 12 23.237 -5.392 10.807 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.418 -4.520 13.656 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.312 -5.034 12.397 1.00 0.00 H new ATOM 0 HG SER A 12 22.954 -6.563 14.065 1.00 0.00 H new ATOM 213 N CYS A 13 24.043 -2.479 11.760 1.00 0.00 N ATOM 214 CA CYS A 13 23.897 -1.038 11.634 1.00 0.00 C ATOM 215 C CYS A 13 23.558 -0.586 10.216 1.00 0.00 C ATOM 216 O CYS A 13 22.522 0.035 10.029 1.00 0.00 O ATOM 217 CB CYS A 13 25.171 -0.366 12.181 1.00 0.00 C ATOM 218 SG CYS A 13 25.336 -0.698 13.964 1.00 0.00 S ATOM 0 H CYS A 13 24.897 -2.743 12.252 1.00 0.00 H new ATOM 0 HA CYS A 13 23.039 -0.723 12.227 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.046 -0.741 11.651 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.129 0.709 12.006 1.00 0.00 H new ATOM 0 HG CYS A 13 25.275 -1.979 14.174 1.00 0.00 H new ATOM 224 N ARG A 14 24.360 -0.939 9.207 1.00 0.00 N ATOM 225 CA ARG A 14 24.218 -0.350 7.859 1.00 0.00 C ATOM 226 C ARG A 14 22.834 -0.591 7.264 1.00 0.00 C ATOM 227 O ARG A 14 22.187 0.344 6.809 1.00 0.00 O ATOM 228 CB ARG A 14 25.402 -0.745 6.936 1.00 0.00 C ATOM 229 CG ARG A 14 25.462 -2.229 6.505 1.00 0.00 C ATOM 230 CD ARG A 14 26.791 -2.571 5.808 1.00 0.00 C ATOM 231 NE ARG A 14 26.784 -3.947 5.244 1.00 0.00 N ATOM 232 CZ ARG A 14 27.864 -4.666 4.893 1.00 0.00 C ATOM 233 NH1 ARG A 14 29.085 -4.179 5.070 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.721 -5.879 4.370 1.00 0.00 N ATOM 0 H ARG A 14 25.111 -1.624 9.290 1.00 0.00 H new ATOM 0 HA ARG A 14 24.283 0.734 7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.358 -0.128 6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.333 -0.498 7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.336 -2.867 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.633 -2.445 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.978 -1.853 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.610 -2.475 6.521 1.00 0.00 H new ATOM 0 HE ARG A 14 25.873 -4.387 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 14 29.210 -3.252 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.899 -4.732 4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.788 -6.269 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.544 -6.420 4.105 1.00 0.00 H new ATOM 248 N SER A 15 22.334 -1.816 7.332 1.00 0.00 N ATOM 249 CA SER A 15 21.114 -2.172 6.621 1.00 0.00 C ATOM 250 C SER A 15 19.882 -1.878 7.464 1.00 0.00 C ATOM 251 O SER A 15 18.846 -1.494 6.924 1.00 0.00 O ATOM 252 CB SER A 15 21.174 -3.641 6.240 1.00 0.00 C ATOM 253 OG SER A 15 22.524 -4.110 6.237 1.00 0.00 O ATOM 0 H SER A 15 22.751 -2.577 7.869 1.00 0.00 H new ATOM 0 HA SER A 15 21.037 -1.567 5.717 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.582 -4.228 6.942 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.732 -3.784 5.254 1.00 0.00 H new ATOM 0 HG SER A 15 22.545 -5.045 5.943 1.00 0.00 H new ATOM 259 N GLN A 16 19.988 -1.992 8.789 1.00 0.00 N ATOM 260 CA GLN A 16 18.889 -1.574 9.639 1.00 0.00 C ATOM 261 C GLN A 16 18.715 -0.050 9.504 1.00 0.00 C ATOM 262 O GLN A 16 17.597 0.458 9.411 1.00 0.00 O ATOM 263 CB GLN A 16 19.112 -2.115 11.063 1.00 0.00 C ATOM 264 CG GLN A 16 19.861 -1.173 12.010 1.00 0.00 C ATOM 265 CD GLN A 16 19.787 -1.675 13.444 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.736 -2.235 13.983 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.651 -1.468 14.086 1.00 0.00 N ATOM 0 H GLN A 16 20.803 -2.361 9.280 1.00 0.00 H new ATOM 0 HA GLN A 16 17.932 -1.998 9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.142 -2.349 11.501 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.665 -3.052 10.996 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.903 -1.094 11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.433 -0.172 11.948 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.877 -1.000 13.615 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.548 -1.776 15.053 1.00 0.00 H new ATOM 276 N MET A 17 19.819 0.696 9.365 1.00 0.00 N ATOM 277 CA MET A 17 19.760 2.123 9.069 1.00 0.00 C ATOM 278 C MET A 17 19.114 2.348 7.720 1.00 0.00 C ATOM 279 O MET A 17 18.287 3.238 7.577 1.00 0.00 O ATOM 280 CB MET A 17 21.167 2.721 9.071 1.00 0.00 C ATOM 281 CG MET A 17 21.181 4.210 9.396 1.00 0.00 C ATOM 282 SD MET A 17 20.278 5.356 8.328 1.00 0.00 S ATOM 283 CE MET A 17 18.708 5.670 9.202 1.00 0.00 C ATOM 0 H MET A 17 20.766 0.327 9.454 1.00 0.00 H new ATOM 0 HA MET A 17 19.163 2.613 9.838 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.780 2.190 9.799 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.624 2.564 8.094 1.00 0.00 H new ATOM 0 HG2 MET A 17 20.792 4.328 10.407 1.00 0.00 H new ATOM 0 HG3 MET A 17 22.222 4.532 9.416 1.00 0.00 H new ATOM 0 HE1 MET A 17 17.985 6.100 8.508 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.318 4.732 9.598 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.881 6.366 10.023 1.00 0.00 H new ATOM 293 N ALA A 18 19.417 1.512 6.736 1.00 0.00 N ATOM 294 CA ALA A 18 18.834 1.672 5.418 1.00 0.00 C ATOM 295 C ALA A 18 17.309 1.589 5.488 1.00 0.00 C ATOM 296 O ALA A 18 16.635 2.384 4.841 1.00 0.00 O ATOM 297 CB ALA A 18 19.467 0.641 4.482 1.00 0.00 C ATOM 0 H ALA A 18 20.058 0.724 6.827 1.00 0.00 H new ATOM 0 HA ALA A 18 19.048 2.661 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.041 0.745 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.544 0.804 4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.268 -0.362 4.858 1.00 0.00 H new ATOM 303 N GLU A 19 16.761 0.737 6.360 1.00 0.00 N ATOM 304 CA GLU A 19 15.336 0.741 6.656 1.00 0.00 C ATOM 305 C GLU A 19 14.916 2.052 7.330 1.00 0.00 C ATOM 306 O GLU A 19 13.848 2.565 7.011 1.00 0.00 O ATOM 307 CB GLU A 19 14.969 -0.456 7.540 1.00 0.00 C ATOM 308 CG GLU A 19 13.457 -0.602 7.787 1.00 0.00 C ATOM 309 CD GLU A 19 13.127 -1.004 9.225 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.330 -2.182 9.582 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.689 -0.122 10.004 1.00 0.00 O ATOM 0 H GLU A 19 17.292 0.033 6.873 1.00 0.00 H new ATOM 0 HA GLU A 19 14.796 0.658 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.342 -1.368 7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.477 -0.357 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.963 0.342 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.052 -1.349 7.104 1.00 0.00 H new ATOM 318 N GLY A 20 15.710 2.635 8.232 1.00 0.00 N ATOM 319 CA GLY A 20 15.335 3.867 8.913 1.00 0.00 C ATOM 320 C GLY A 20 15.257 5.028 7.930 1.00 0.00 C ATOM 321 O GLY A 20 14.274 5.763 7.934 1.00 0.00 O ATOM 0 H GLY A 20 16.621 2.267 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.371 3.736 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.063 4.093 9.692 1.00 0.00 H new ATOM 325 N PHE A 21 16.225 5.163 7.019 1.00 0.00 N ATOM 326 CA PHE A 21 16.114 6.146 5.945 1.00 0.00 C ATOM 327 C PHE A 21 14.952 5.777 5.041 1.00 0.00 C ATOM 328 O PHE A 21 14.224 6.666 4.625 1.00 0.00 O ATOM 329 CB PHE A 21 17.402 6.245 5.108 1.00 0.00 C ATOM 330 CG PHE A 21 18.430 7.250 5.581 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.077 8.592 5.828 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.773 6.864 5.690 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.051 9.515 6.252 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.743 7.781 6.110 1.00 0.00 C ATOM 335 CZ PHE A 21 20.385 9.107 6.405 1.00 0.00 C ATOM 0 H PHE A 21 17.082 4.611 7.005 1.00 0.00 H new ATOM 0 HA PHE A 21 15.946 7.119 6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.871 5.261 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.126 6.493 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.055 8.913 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 21 20.061 5.852 5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.772 10.537 6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.772 7.468 6.208 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.132 9.808 6.747 1.00 0.00 H new ATOM 345 N ALA A 22 14.743 4.500 4.724 1.00 0.00 N ATOM 346 CA ALA A 22 13.730 4.122 3.751 1.00 0.00 C ATOM 347 C ALA A 22 12.325 4.356 4.301 1.00 0.00 C ATOM 348 O ALA A 22 11.466 4.812 3.558 1.00 0.00 O ATOM 349 CB ALA A 22 13.965 2.681 3.281 1.00 0.00 C ATOM 0 H ALA A 22 15.260 3.718 5.126 1.00 0.00 H new ATOM 0 HA ALA A 22 13.816 4.762 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.202 2.407 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.950 2.605 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.910 2.006 4.135 1.00 0.00 H new ATOM 355 N LYS A 23 12.062 4.123 5.588 1.00 0.00 N ATOM 356 CA LYS A 23 10.756 4.398 6.190 1.00 0.00 C ATOM 357 C LYS A 23 10.526 5.893 6.394 1.00 0.00 C ATOM 358 O LYS A 23 9.386 6.337 6.401 1.00 0.00 O ATOM 359 CB LYS A 23 10.571 3.555 7.464 1.00 0.00 C ATOM 360 CG LYS A 23 11.264 4.108 8.720 1.00 0.00 C ATOM 361 CD LYS A 23 11.519 3.026 9.781 1.00 0.00 C ATOM 362 CE LYS A 23 10.244 2.267 10.196 1.00 0.00 C ATOM 363 NZ LYS A 23 10.541 1.176 11.166 1.00 0.00 N ATOM 0 H LYS A 23 12.746 3.740 6.241 1.00 0.00 H new ATOM 0 HA LYS A 23 9.973 4.091 5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.504 3.463 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.947 2.550 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.213 4.563 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.648 4.897 9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.248 2.314 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.961 3.489 10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.534 2.965 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.767 1.846 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.738 0.516 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.395 0.666 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.697 1.584 12.110 1.00 0.00 H new ATOM 377 N THR A 24 11.604 6.661 6.516 1.00 0.00 N ATOM 378 CA THR A 24 11.595 8.113 6.576 1.00 0.00 C ATOM 379 C THR A 24 11.271 8.697 5.196 1.00 0.00 C ATOM 380 O THR A 24 10.375 9.528 5.053 1.00 0.00 O ATOM 381 CB THR A 24 12.998 8.501 7.086 1.00 0.00 C ATOM 382 OG1 THR A 24 13.043 8.335 8.489 1.00 0.00 O ATOM 383 CG2 THR A 24 13.509 9.884 6.696 1.00 0.00 C ATOM 0 H THR A 24 12.544 6.270 6.578 1.00 0.00 H new ATOM 0 HA THR A 24 10.829 8.512 7.240 1.00 0.00 H new ATOM 0 HB THR A 24 13.682 7.824 6.574 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.446 7.468 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.504 10.036 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.557 9.961 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.832 10.645 7.084 1.00 0.00 H new ATOM 391 N LEU A 25 11.991 8.243 4.170 1.00 0.00 N ATOM 392 CA LEU A 25 11.987 8.825 2.834 1.00 0.00 C ATOM 393 C LEU A 25 10.890 8.245 1.943 1.00 0.00 C ATOM 394 O LEU A 25 10.417 8.914 1.027 1.00 0.00 O ATOM 395 CB LEU A 25 13.350 8.558 2.179 1.00 0.00 C ATOM 396 CG LEU A 25 14.526 9.365 2.738 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.821 8.868 2.084 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.381 10.867 2.473 1.00 0.00 C ATOM 0 H LEU A 25 12.610 7.436 4.251 1.00 0.00 H new ATOM 0 HA LEU A 25 11.794 9.893 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.580 7.497 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.266 8.765 1.112 1.00 0.00 H new ATOM 0 HG LEU A 25 14.546 9.220 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.666 9.435 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.959 7.810 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.759 9.005 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.240 11.394 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.332 11.044 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.468 11.233 2.943 1.00 0.00 H new ATOM 410 N GLY A 26 10.477 7.007 2.222 1.00 0.00 N ATOM 411 CA GLY A 26 9.478 6.241 1.487 1.00 0.00 C ATOM 412 C GLY A 26 8.120 6.266 2.190 1.00 0.00 C ATOM 413 O GLY A 26 7.254 5.445 1.890 1.00 0.00 O ATOM 0 H GLY A 26 10.855 6.486 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.375 6.647 0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.815 5.210 1.381 1.00 0.00 H new ATOM 417 N ALA A 27 7.952 7.169 3.155 1.00 0.00 N ATOM 418 CA ALA A 27 6.803 7.246 4.039 1.00 0.00 C ATOM 419 C ALA A 27 5.543 7.491 3.213 1.00 0.00 C ATOM 420 O ALA A 27 5.480 8.441 2.430 1.00 0.00 O ATOM 421 CB ALA A 27 7.028 8.362 5.070 1.00 0.00 C ATOM 0 H ALA A 27 8.644 7.894 3.345 1.00 0.00 H new ATOM 0 HA ALA A 27 6.676 6.307 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.167 8.422 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.922 8.143 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.155 9.314 4.554 1.00 0.00 H new ATOM 427 N GLY A 28 4.549 6.620 3.385 1.00 0.00 N ATOM 428 CA GLY A 28 3.271 6.720 2.689 1.00 0.00 C ATOM 429 C GLY A 28 3.324 6.243 1.240 1.00 0.00 C ATOM 430 O GLY A 28 2.357 6.427 0.501 1.00 0.00 O ATOM 0 H GLY A 28 4.610 5.821 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.527 6.134 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.936 7.757 2.709 1.00 0.00 H new ATOM 434 N LYS A 29 4.440 5.639 0.816 1.00 0.00 N ATOM 435 CA LYS A 29 4.691 5.209 -0.546 1.00 0.00 C ATOM 436 C LYS A 29 5.050 3.743 -0.532 1.00 0.00 C ATOM 437 O LYS A 29 4.514 2.981 -1.332 1.00 0.00 O ATOM 438 CB LYS A 29 5.838 6.036 -1.134 1.00 0.00 C ATOM 439 CG LYS A 29 5.484 7.522 -1.259 1.00 0.00 C ATOM 440 CD LYS A 29 4.437 7.785 -2.357 1.00 0.00 C ATOM 441 CE LYS A 29 4.265 9.271 -2.709 1.00 0.00 C ATOM 442 NZ LYS A 29 5.421 9.824 -3.464 1.00 0.00 N ATOM 0 H LYS A 29 5.217 5.433 1.444 1.00 0.00 H new ATOM 0 HA LYS A 29 3.804 5.356 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.721 5.928 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.098 5.644 -2.117 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.104 7.884 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.388 8.091 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.723 7.239 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.476 7.385 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.358 9.397 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.129 9.843 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.117 10.661 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.173 10.094 -2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.783 9.104 -4.121 1.00 0.00 H new ATOM 456 N ILE A 30 5.910 3.339 0.406 1.00 0.00 N ATOM 457 CA ILE A 30 6.332 1.965 0.595 1.00 0.00 C ATOM 458 C ILE A 30 6.427 1.653 2.092 1.00 0.00 C ATOM 459 O ILE A 30 6.650 2.532 2.921 1.00 0.00 O ATOM 460 CB ILE A 30 7.619 1.677 -0.228 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.811 2.657 -0.104 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.233 1.672 -1.715 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.640 2.505 1.171 1.00 0.00 C ATOM 0 H ILE A 30 6.339 3.984 1.070 1.00 0.00 H new ATOM 0 HA ILE A 30 5.589 1.272 0.201 1.00 0.00 H new ATOM 0 HB ILE A 30 7.977 0.734 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.466 2.520 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.430 3.677 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.117 1.472 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.488 0.897 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.820 2.643 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.451 3.234 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.005 2.674 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.057 1.499 1.216 1.00 0.00 H new ATOM 475 N ALA A 31 6.191 0.384 2.422 1.00 0.00 N ATOM 476 CA ALA A 31 6.365 -0.183 3.756 1.00 0.00 C ATOM 477 C ALA A 31 7.782 -0.735 3.824 1.00 0.00 C ATOM 478 O ALA A 31 8.326 -1.141 2.798 1.00 0.00 O ATOM 479 CB ALA A 31 5.336 -1.289 4.000 1.00 0.00 C ATOM 0 H ALA A 31 5.861 -0.301 1.742 1.00 0.00 H new ATOM 0 HA ALA A 31 6.214 0.573 4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.477 -1.703 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.331 -0.876 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.466 -2.077 3.258 1.00 0.00 H new ATOM 485 N VAL A 32 8.383 -0.789 5.008 1.00 0.00 N ATOM 486 CA VAL A 32 9.801 -1.061 5.140 1.00 0.00 C ATOM 487 C VAL A 32 10.083 -1.942 6.370 1.00 0.00 C ATOM 488 O VAL A 32 9.537 -1.687 7.446 1.00 0.00 O ATOM 489 CB VAL A 32 10.501 0.313 5.244 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.950 0.252 4.801 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.852 1.458 4.434 1.00 0.00 C ATOM 0 H VAL A 32 7.900 -0.646 5.895 1.00 0.00 H new ATOM 0 HA VAL A 32 10.179 -1.618 4.283 1.00 0.00 H new ATOM 0 HB VAL A 32 10.402 0.539 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.400 1.241 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.493 -0.453 5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.999 -0.075 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.423 2.375 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.847 1.197 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.828 1.610 4.775 1.00 0.00 H new ATOM 501 N THR A 33 10.969 -2.934 6.225 1.00 0.00 N ATOM 502 CA THR A 33 11.406 -3.843 7.295 1.00 0.00 C ATOM 503 C THR A 33 12.911 -4.164 7.119 1.00 0.00 C ATOM 504 O THR A 33 13.478 -3.912 6.053 1.00 0.00 O ATOM 505 CB THR A 33 10.517 -5.103 7.281 1.00 0.00 C ATOM 506 OG1 THR A 33 9.142 -4.789 7.095 1.00 0.00 O ATOM 507 CG2 THR A 33 10.622 -5.982 8.536 1.00 0.00 C ATOM 0 H THR A 33 11.417 -3.134 5.331 1.00 0.00 H new ATOM 0 HA THR A 33 11.293 -3.376 8.273 1.00 0.00 H new ATOM 0 HB THR A 33 10.908 -5.669 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.600 -5.591 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.961 -6.843 8.434 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.650 -6.325 8.655 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.330 -5.402 9.412 1.00 0.00 H new ATOM 515 N SER A 34 13.574 -4.727 8.132 1.00 0.00 N ATOM 516 CA SER A 34 14.966 -5.176 8.076 1.00 0.00 C ATOM 517 C SER A 34 15.092 -6.480 8.862 1.00 0.00 C ATOM 518 O SER A 34 14.261 -6.746 9.732 1.00 0.00 O ATOM 519 CB SER A 34 15.920 -4.080 8.583 1.00 0.00 C ATOM 520 OG SER A 34 15.538 -3.522 9.827 1.00 0.00 O ATOM 0 H SER A 34 13.143 -4.888 9.042 1.00 0.00 H new ATOM 0 HA SER A 34 15.257 -5.370 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.923 -4.498 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.973 -3.285 7.839 1.00 0.00 H new ATOM 0 HG SER A 34 14.844 -2.845 9.683 1.00 0.00 H new ATOM 526 N CYS A 35 16.093 -7.313 8.576 1.00 0.00 N ATOM 527 CA CYS A 35 16.187 -8.642 9.189 1.00 0.00 C ATOM 528 C CYS A 35 17.598 -9.207 9.123 1.00 0.00 C ATOM 529 O CYS A 35 18.442 -8.634 8.445 1.00 0.00 O ATOM 530 CB CYS A 35 15.229 -9.576 8.428 1.00 0.00 C ATOM 531 SG CYS A 35 15.711 -9.748 6.683 1.00 0.00 S ATOM 0 H CYS A 35 16.848 -7.094 7.927 1.00 0.00 H new ATOM 0 HA CYS A 35 15.921 -8.563 10.243 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.222 -10.557 8.903 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.213 -9.185 8.489 1.00 0.00 H new ATOM 0 HG CYS A 35 14.900 -9.056 5.939 1.00 0.00 H new ATOM 537 N GLY A 36 17.837 -10.352 9.768 1.00 0.00 N ATOM 538 CA GLY A 36 19.137 -11.019 9.734 1.00 0.00 C ATOM 539 C GLY A 36 20.160 -10.235 10.551 1.00 0.00 C ATOM 540 O GLY A 36 21.313 -10.120 10.139 1.00 0.00 O ATOM 0 H GLY A 36 17.136 -10.840 10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.044 -12.030 10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.479 -11.110 8.703 1.00 0.00 H new ATOM 544 N LEU A 37 19.720 -9.614 11.655 1.00 0.00 N ATOM 545 CA LEU A 37 20.567 -8.829 12.523 1.00 0.00 C ATOM 546 C LEU A 37 21.627 -9.784 13.072 1.00 0.00 C ATOM 547 O LEU A 37 21.282 -10.783 13.705 1.00 0.00 O ATOM 548 CB LEU A 37 19.719 -8.178 13.647 1.00 0.00 C ATOM 549 CG LEU A 37 19.156 -6.777 13.305 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.713 -6.830 12.780 1.00 0.00 C ATOM 551 CD2 LEU A 37 19.233 -5.828 14.513 1.00 0.00 C ATOM 0 H LEU A 37 18.748 -9.652 11.962 1.00 0.00 H new ATOM 0 HA LEU A 37 21.049 -8.008 11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.887 -8.840 13.885 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.331 -8.099 14.545 1.00 0.00 H new ATOM 0 HG LEU A 37 19.788 -6.389 12.506 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.370 -5.820 12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.678 -7.434 11.873 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.066 -7.274 13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.829 -4.854 14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.652 -6.241 15.338 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.272 -5.716 14.822 1.00 0.00 H new ATOM 563 N GLU A 38 22.912 -9.479 12.853 1.00 0.00 N ATOM 564 CA GLU A 38 23.996 -10.195 13.534 1.00 0.00 C ATOM 565 C GLU A 38 24.085 -9.716 14.996 1.00 0.00 C ATOM 566 O GLU A 38 24.968 -10.130 15.748 1.00 0.00 O ATOM 567 CB GLU A 38 25.333 -9.991 12.805 1.00 0.00 C ATOM 568 CG GLU A 38 25.360 -10.692 11.438 1.00 0.00 C ATOM 569 CD GLU A 38 26.795 -10.871 10.905 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.630 -9.946 11.031 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.088 -11.933 10.303 1.00 0.00 O ATOM 0 H GLU A 38 23.224 -8.747 12.215 1.00 0.00 H new ATOM 0 HA GLU A 38 23.779 -11.263 13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.512 -8.924 12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.145 -10.373 13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.881 -11.667 11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.778 -10.112 10.722 1.00 0.00 H new ATOM 578 N SER A 39 23.168 -8.829 15.395 1.00 0.00 N ATOM 579 CA SER A 39 23.137 -8.196 16.702 1.00 0.00 C ATOM 580 C SER A 39 21.670 -8.012 17.084 1.00 0.00 C ATOM 581 O SER A 39 21.157 -6.896 17.130 1.00 0.00 O ATOM 582 CB SER A 39 23.985 -6.913 16.708 1.00 0.00 C ATOM 583 OG SER A 39 23.833 -6.162 15.518 1.00 0.00 O ATOM 0 H SER A 39 22.404 -8.527 14.791 1.00 0.00 H new ATOM 0 HA SER A 39 23.599 -8.814 17.471 1.00 0.00 H new ATOM 0 HB2 SER A 39 23.702 -6.297 17.562 1.00 0.00 H new ATOM 0 HB3 SER A 39 25.035 -7.175 16.838 1.00 0.00 H new ATOM 0 HG SER A 39 24.257 -5.285 15.628 1.00 0.00 H new ATOM 589 N SER A 40 20.985 -9.135 17.315 1.00 0.00 N ATOM 590 CA SER A 40 19.619 -9.265 17.824 1.00 0.00 C ATOM 591 C SER A 40 19.504 -8.740 19.261 1.00 0.00 C ATOM 592 O SER A 40 19.231 -9.465 20.218 1.00 0.00 O ATOM 593 CB SER A 40 19.168 -10.723 17.680 1.00 0.00 C ATOM 594 OG SER A 40 19.190 -11.076 16.306 1.00 0.00 O ATOM 0 H SER A 40 21.405 -10.047 17.137 1.00 0.00 H new ATOM 0 HA SER A 40 18.946 -8.644 17.233 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.827 -11.379 18.249 1.00 0.00 H new ATOM 0 HB3 SER A 40 18.164 -10.849 18.086 1.00 0.00 H new ATOM 0 HG SER A 40 18.905 -12.008 16.203 1.00 0.00 H new ATOM 600 N ARG A 41 19.815 -7.455 19.383 1.00 0.00 N ATOM 601 CA ARG A 41 19.860 -6.632 20.573 1.00 0.00 C ATOM 602 C ARG A 41 19.803 -5.146 20.201 1.00 0.00 C ATOM 603 O ARG A 41 19.448 -4.327 21.047 1.00 0.00 O ATOM 604 CB ARG A 41 21.132 -6.928 21.378 1.00 0.00 C ATOM 605 CG ARG A 41 22.477 -6.756 20.643 1.00 0.00 C ATOM 606 CD ARG A 41 23.257 -8.076 20.586 1.00 0.00 C ATOM 607 NE ARG A 41 24.606 -7.886 20.013 1.00 0.00 N ATOM 608 CZ ARG A 41 25.498 -8.859 19.754 1.00 0.00 C ATOM 609 NH1 ARG A 41 25.190 -10.136 19.965 1.00 0.00 N ATOM 610 NH2 ARG A 41 26.698 -8.541 19.278 1.00 0.00 N ATOM 0 H ARG A 41 20.068 -6.911 18.558 1.00 0.00 H new ATOM 0 HA ARG A 41 18.992 -6.869 21.189 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.138 -6.279 22.254 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.073 -7.954 21.742 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.296 -6.394 19.631 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.076 -5.999 21.150 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.343 -8.492 21.590 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.705 -8.800 19.987 1.00 0.00 H new ATOM 0 HE ARG A 41 24.886 -6.930 19.794 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.270 -10.386 20.327 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.874 -10.865 19.765 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.938 -7.564 19.111 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.379 -9.274 19.080 1.00 0.00 H new ATOM 624 N VAL A 42 20.140 -4.828 18.942 1.00 0.00 N ATOM 625 CA VAL A 42 20.312 -3.484 18.382 1.00 0.00 C ATOM 626 C VAL A 42 21.615 -2.877 18.922 1.00 0.00 C ATOM 627 O VAL A 42 22.269 -3.463 19.790 1.00 0.00 O ATOM 628 CB VAL A 42 19.005 -2.650 18.570 1.00 0.00 C ATOM 629 CG1 VAL A 42 19.108 -1.448 19.532 1.00 0.00 C ATOM 630 CG2 VAL A 42 18.471 -2.165 17.216 1.00 0.00 C ATOM 0 H VAL A 42 20.310 -5.552 18.244 1.00 0.00 H new ATOM 0 HA VAL A 42 20.446 -3.500 17.300 1.00 0.00 H new ATOM 0 HB VAL A 42 18.314 -3.348 19.042 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.144 -0.942 19.587 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.390 -1.799 20.524 1.00 0.00 H new ATOM 0 HG13 VAL A 42 19.863 -0.752 19.165 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.560 -1.586 17.370 1.00 0.00 H new ATOM 0 HG22 VAL A 42 19.221 -1.539 16.732 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.252 -3.024 16.582 1.00 0.00 H new ATOM 640 N HIS A 43 22.029 -1.727 18.376 1.00 0.00 N ATOM 641 CA HIS A 43 23.316 -1.113 18.680 1.00 0.00 C ATOM 642 C HIS A 43 23.112 0.400 18.858 1.00 0.00 C ATOM 643 O HIS A 43 22.720 1.072 17.904 1.00 0.00 O ATOM 644 CB HIS A 43 24.273 -1.473 17.538 1.00 0.00 C ATOM 645 CG HIS A 43 25.692 -1.051 17.826 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.526 -1.598 18.777 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.379 -0.025 17.235 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.678 -0.906 18.770 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.637 0.064 17.839 1.00 0.00 N ATOM 0 H HIS A 43 21.472 -1.197 17.706 1.00 0.00 H new ATOM 0 HA HIS A 43 23.751 -1.478 19.611 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.244 -2.549 17.368 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.934 -0.996 16.619 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.013 0.607 16.439 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.518 -1.101 19.420 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.376 0.731 17.618 1.00 0.00 H new ATOM 657 N PRO A 44 23.372 0.971 20.049 1.00 0.00 N ATOM 658 CA PRO A 44 23.002 2.346 20.384 1.00 0.00 C ATOM 659 C PRO A 44 23.808 3.390 19.614 1.00 0.00 C ATOM 660 O PRO A 44 23.295 4.483 19.384 1.00 0.00 O ATOM 661 CB PRO A 44 23.243 2.480 21.889 1.00 0.00 C ATOM 662 CG PRO A 44 24.409 1.523 22.098 1.00 0.00 C ATOM 663 CD PRO A 44 23.993 0.350 21.210 1.00 0.00 C ATOM 0 HA PRO A 44 21.964 2.533 20.107 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.495 3.501 22.174 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.368 2.193 22.471 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.359 1.958 21.787 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.519 1.230 23.142 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.853 -0.255 20.923 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.297 -0.311 21.726 1.00 0.00 H new ATOM 671 N THR A 45 25.030 3.073 19.169 1.00 0.00 N ATOM 672 CA THR A 45 25.822 4.041 18.417 1.00 0.00 C ATOM 673 C THR A 45 25.086 4.394 17.121 1.00 0.00 C ATOM 674 O THR A 45 25.065 5.557 16.726 1.00 0.00 O ATOM 675 CB THR A 45 27.244 3.512 18.124 1.00 0.00 C ATOM 676 OG1 THR A 45 27.778 2.881 19.278 1.00 0.00 O ATOM 677 CG2 THR A 45 28.184 4.643 17.674 1.00 0.00 C ATOM 0 H THR A 45 25.481 2.170 19.315 1.00 0.00 H new ATOM 0 HA THR A 45 25.941 4.940 19.021 1.00 0.00 H new ATOM 0 HB THR A 45 27.167 2.788 17.313 1.00 0.00 H new ATOM 0 HG1 THR A 45 27.885 1.922 19.107 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.175 4.235 17.477 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.793 5.102 16.766 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.251 5.395 18.460 1.00 0.00 H new ATOM 685 N ALA A 46 24.402 3.423 16.498 1.00 0.00 N ATOM 686 CA ALA A 46 23.633 3.686 15.291 1.00 0.00 C ATOM 687 C ALA A 46 22.474 4.613 15.631 1.00 0.00 C ATOM 688 O ALA A 46 22.242 5.567 14.906 1.00 0.00 O ATOM 689 CB ALA A 46 23.159 2.370 14.660 1.00 0.00 C ATOM 0 H ALA A 46 24.371 2.454 16.815 1.00 0.00 H new ATOM 0 HA ALA A 46 24.259 4.182 14.549 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.585 2.585 13.758 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.023 1.758 14.403 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.531 1.832 15.370 1.00 0.00 H new ATOM 695 N ILE A 47 21.798 4.394 16.760 1.00 0.00 N ATOM 696 CA ILE A 47 20.690 5.248 17.185 1.00 0.00 C ATOM 697 C ILE A 47 21.196 6.678 17.326 1.00 0.00 C ATOM 698 O ILE A 47 20.591 7.569 16.741 1.00 0.00 O ATOM 699 CB ILE A 47 20.030 4.731 18.476 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.074 3.554 18.230 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.215 5.816 19.212 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.706 2.227 17.815 1.00 0.00 C ATOM 0 H ILE A 47 22.001 3.626 17.400 1.00 0.00 H new ATOM 0 HA ILE A 47 19.907 5.226 16.427 1.00 0.00 H new ATOM 0 HB ILE A 47 20.874 4.412 19.087 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.500 3.386 19.142 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.365 3.849 17.457 1.00 0.00 H new ATOM 0 HG21 ILE A 47 18.774 5.391 20.114 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.872 6.642 19.484 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.423 6.182 18.559 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.925 1.480 17.673 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.254 2.361 16.882 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.391 1.891 18.593 1.00 0.00 H new ATOM 714 N ALA A 48 22.307 6.914 18.033 1.00 0.00 N ATOM 715 CA ALA A 48 22.826 8.266 18.190 1.00 0.00 C ATOM 716 C ALA A 48 23.174 8.878 16.833 1.00 0.00 C ATOM 717 O ALA A 48 22.831 10.022 16.547 1.00 0.00 O ATOM 718 CB ALA A 48 24.060 8.269 19.093 1.00 0.00 C ATOM 0 H ALA A 48 22.855 6.191 18.499 1.00 0.00 H new ATOM 0 HA ALA A 48 22.047 8.870 18.655 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.432 9.288 19.197 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.793 7.878 20.075 1.00 0.00 H new ATOM 0 HB3 ALA A 48 24.835 7.643 18.651 1.00 0.00 H new ATOM 724 N MET A 49 23.821 8.090 15.979 1.00 0.00 N ATOM 725 CA MET A 49 24.193 8.488 14.635 1.00 0.00 C ATOM 726 C MET A 49 22.983 8.756 13.743 1.00 0.00 C ATOM 727 O MET A 49 23.145 9.417 12.719 1.00 0.00 O ATOM 728 CB MET A 49 25.108 7.415 14.037 1.00 0.00 C ATOM 729 CG MET A 49 26.474 7.411 14.710 1.00 0.00 C ATOM 730 SD MET A 49 27.563 8.716 14.096 1.00 0.00 S ATOM 731 CE MET A 49 27.482 9.802 15.525 1.00 0.00 C ATOM 0 H MET A 49 24.105 7.138 16.212 1.00 0.00 H new ATOM 0 HA MET A 49 24.728 9.436 14.692 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.643 6.435 14.148 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.228 7.592 12.968 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.344 7.529 15.786 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.949 6.443 14.551 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.240 10.580 15.434 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.495 10.262 15.577 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.662 9.224 16.432 1.00 0.00 H new ATOM 741 N MET A 50 21.786 8.295 14.106 1.00 0.00 N ATOM 742 CA MET A 50 20.556 8.618 13.397 1.00 0.00 C ATOM 743 C MET A 50 19.817 9.753 14.093 1.00 0.00 C ATOM 744 O MET A 50 19.154 10.550 13.435 1.00 0.00 O ATOM 745 CB MET A 50 19.692 7.359 13.253 1.00 0.00 C ATOM 746 CG MET A 50 20.363 6.273 12.414 1.00 0.00 C ATOM 747 SD MET A 50 21.539 6.836 11.144 1.00 0.00 S ATOM 748 CE MET A 50 23.003 5.908 11.674 1.00 0.00 C ATOM 0 H MET A 50 21.646 7.681 14.909 1.00 0.00 H new ATOM 0 HA MET A 50 20.797 8.969 12.394 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.470 6.961 14.243 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.739 7.628 12.796 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.888 5.597 13.089 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.583 5.691 11.923 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.865 6.221 11.085 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.195 6.102 12.729 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.831 4.842 11.527 1.00 0.00 H new ATOM 758 N GLU A 51 20.000 9.914 15.398 1.00 0.00 N ATOM 759 CA GLU A 51 19.495 11.042 16.153 1.00 0.00 C ATOM 760 C GLU A 51 20.174 12.341 15.684 1.00 0.00 C ATOM 761 O GLU A 51 19.546 13.400 15.697 1.00 0.00 O ATOM 762 CB GLU A 51 19.695 10.745 17.652 1.00 0.00 C ATOM 763 CG GLU A 51 19.004 11.774 18.550 1.00 0.00 C ATOM 764 CD GLU A 51 19.150 11.403 20.037 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.196 11.730 20.649 1.00 0.00 O ATOM 766 OE2 GLU A 51 18.209 10.801 20.610 1.00 0.00 O ATOM 0 H GLU A 51 20.517 9.245 15.969 1.00 0.00 H new ATOM 0 HA GLU A 51 18.429 11.190 15.983 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.307 9.752 17.877 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.761 10.729 17.877 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.434 12.760 18.375 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.947 11.836 18.290 1.00 0.00 H new ATOM 773 N GLU A 52 21.407 12.249 15.167 1.00 0.00 N ATOM 774 CA GLU A 52 22.097 13.346 14.483 1.00 0.00 C ATOM 775 C GLU A 52 21.293 13.900 13.293 1.00 0.00 C ATOM 776 O GLU A 52 21.475 15.060 12.914 1.00 0.00 O ATOM 777 CB GLU A 52 23.468 12.897 13.949 1.00 0.00 C ATOM 778 CG GLU A 52 24.536 12.628 15.016 1.00 0.00 C ATOM 779 CD GLU A 52 25.959 12.747 14.444 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.195 12.391 13.263 1.00 0.00 O ATOM 781 OE2 GLU A 52 26.861 13.200 15.184 1.00 0.00 O ATOM 0 H GLU A 52 21.961 11.394 15.214 1.00 0.00 H new ATOM 0 HA GLU A 52 22.214 14.128 15.234 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.330 11.990 13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.843 13.663 13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.415 13.334 15.838 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.393 11.630 15.430 1.00 0.00 H new ATOM 788 N VAL A 53 20.414 13.085 12.700 1.00 0.00 N ATOM 789 CA VAL A 53 19.694 13.372 11.467 1.00 0.00 C ATOM 790 C VAL A 53 18.176 13.183 11.651 1.00 0.00 C ATOM 791 O VAL A 53 17.429 13.172 10.670 1.00 0.00 O ATOM 792 CB VAL A 53 20.306 12.547 10.313 1.00 0.00 C ATOM 793 CG1 VAL A 53 21.701 13.071 9.935 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.431 11.038 10.576 1.00 0.00 C ATOM 0 H VAL A 53 20.179 12.171 13.087 1.00 0.00 H new ATOM 0 HA VAL A 53 19.810 14.422 11.198 1.00 0.00 H new ATOM 0 HB VAL A 53 19.590 12.676 9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.107 12.471 9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.625 14.111 9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.362 13.003 10.799 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.871 10.552 9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 53 21.067 10.872 11.445 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.443 10.618 10.764 1.00 0.00 H new ATOM 804 N GLY A 54 17.698 13.094 12.900 1.00 0.00 N ATOM 805 CA GLY A 54 16.279 13.039 13.226 1.00 0.00 C ATOM 806 C GLY A 54 15.622 11.728 12.787 1.00 0.00 C ATOM 807 O GLY A 54 14.484 11.747 12.307 1.00 0.00 O ATOM 0 H GLY A 54 18.302 13.058 13.721 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.153 13.161 14.302 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.768 13.875 12.748 1.00 0.00 H new ATOM 811 N ILE A 55 16.323 10.597 12.937 1.00 0.00 N ATOM 812 CA ILE A 55 15.838 9.255 12.629 1.00 0.00 C ATOM 813 C ILE A 55 16.062 8.400 13.888 1.00 0.00 C ATOM 814 O ILE A 55 16.927 8.705 14.710 1.00 0.00 O ATOM 815 CB ILE A 55 16.476 8.703 11.328 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.147 9.677 10.178 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.975 7.269 11.021 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.586 9.155 8.823 1.00 0.00 C ATOM 0 H ILE A 55 17.280 10.597 13.290 1.00 0.00 H new ATOM 0 HA ILE A 55 14.772 9.246 12.401 1.00 0.00 H new ATOM 0 HB ILE A 55 17.557 8.632 11.447 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.073 9.862 10.161 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.632 10.634 10.368 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.440 6.910 10.103 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.240 6.607 11.845 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.892 7.280 10.898 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.329 9.882 8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.664 8.996 8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.081 8.212 8.615 1.00 0.00 H new ATOM 830 N ASP A 56 15.298 7.317 14.034 1.00 0.00 N ATOM 831 CA ASP A 56 15.436 6.347 15.125 1.00 0.00 C ATOM 832 C ASP A 56 15.320 4.933 14.553 1.00 0.00 C ATOM 833 O ASP A 56 14.552 4.689 13.623 1.00 0.00 O ATOM 834 CB ASP A 56 14.377 6.580 16.211 1.00 0.00 C ATOM 835 CG ASP A 56 14.294 5.380 17.172 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.348 4.940 17.697 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.185 4.828 17.352 1.00 0.00 O ATOM 0 H ASP A 56 14.548 7.083 13.383 1.00 0.00 H new ATOM 0 HA ASP A 56 16.413 6.473 15.591 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.619 7.483 16.772 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.405 6.745 15.746 1.00 0.00 H new ATOM 842 N ILE A 57 16.108 4.015 15.117 1.00 0.00 N ATOM 843 CA ILE A 57 16.246 2.622 14.719 1.00 0.00 C ATOM 844 C ILE A 57 16.364 1.696 15.950 1.00 0.00 C ATOM 845 O ILE A 57 16.745 0.538 15.811 1.00 0.00 O ATOM 846 CB ILE A 57 17.396 2.502 13.683 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.718 3.192 14.078 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.927 3.037 12.310 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.828 2.959 13.045 1.00 0.00 C ATOM 0 H ILE A 57 16.702 4.244 15.914 1.00 0.00 H new ATOM 0 HA ILE A 57 15.345 2.272 14.216 1.00 0.00 H new ATOM 0 HB ILE A 57 17.625 1.437 13.640 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.547 4.263 14.189 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.044 2.819 15.049 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.739 2.949 11.589 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.072 2.455 11.966 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.639 4.084 12.407 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.738 3.465 13.368 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.020 1.890 12.952 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.516 3.357 12.079 1.00 0.00 H new ATOM 861 N SER A 58 16.016 2.163 17.157 1.00 0.00 N ATOM 862 CA SER A 58 15.969 1.331 18.361 1.00 0.00 C ATOM 863 C SER A 58 14.820 0.319 18.327 1.00 0.00 C ATOM 864 O SER A 58 15.015 -0.841 18.688 1.00 0.00 O ATOM 865 CB SER A 58 15.865 2.199 19.623 1.00 0.00 C ATOM 866 OG SER A 58 14.845 3.182 19.562 1.00 0.00 O ATOM 0 H SER A 58 15.758 3.136 17.323 1.00 0.00 H new ATOM 0 HA SER A 58 16.903 0.769 18.388 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.683 1.553 20.482 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.822 2.693 19.792 1.00 0.00 H new ATOM 0 HG SER A 58 15.142 3.927 19.000 1.00 0.00 H new ATOM 872 N GLY A 59 13.639 0.733 17.848 1.00 0.00 N ATOM 873 CA GLY A 59 12.440 -0.104 17.803 1.00 0.00 C ATOM 874 C GLY A 59 12.451 -1.107 16.645 1.00 0.00 C ATOM 875 O GLY A 59 11.426 -1.735 16.370 1.00 0.00 O ATOM 0 H GLY A 59 13.491 1.672 17.477 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.347 -0.646 18.744 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.561 0.535 17.714 1.00 0.00 H new ATOM 879 N GLN A 60 13.577 -1.225 15.933 1.00 0.00 N ATOM 880 CA GLN A 60 13.763 -2.155 14.836 1.00 0.00 C ATOM 881 C GLN A 60 13.926 -3.601 15.325 1.00 0.00 C ATOM 882 O GLN A 60 13.779 -3.917 16.509 1.00 0.00 O ATOM 883 CB GLN A 60 14.936 -1.684 13.964 1.00 0.00 C ATOM 884 CG GLN A 60 14.507 -0.503 13.092 1.00 0.00 C ATOM 885 CD GLN A 60 15.592 -0.144 12.084 1.00 0.00 C ATOM 886 OE1 GLN A 60 16.771 -0.375 12.315 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.239 0.437 10.958 1.00 0.00 N ATOM 0 H GLN A 60 14.403 -0.655 16.117 1.00 0.00 H new ATOM 0 HA GLN A 60 12.863 -2.162 14.221 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.774 -1.392 14.597 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.282 -2.503 13.334 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.585 -0.751 12.566 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.292 0.360 13.723 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.255 0.628 10.769 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.949 0.697 10.274 1.00 0.00 H new ATOM 896 N THR A 61 14.172 -4.486 14.363 1.00 0.00 N ATOM 897 CA THR A 61 14.170 -5.927 14.497 1.00 0.00 C ATOM 898 C THR A 61 15.334 -6.443 15.336 1.00 0.00 C ATOM 899 O THR A 61 16.262 -5.710 15.681 1.00 0.00 O ATOM 900 CB THR A 61 14.085 -6.543 13.087 1.00 0.00 C ATOM 901 OG1 THR A 61 14.782 -5.736 12.160 1.00 0.00 O ATOM 902 CG2 THR A 61 12.633 -6.591 12.618 1.00 0.00 C ATOM 0 H THR A 61 14.391 -4.190 13.412 1.00 0.00 H new ATOM 0 HA THR A 61 13.294 -6.245 15.062 1.00 0.00 H new ATOM 0 HB THR A 61 14.514 -7.544 13.138 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.465 -5.931 11.253 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.587 -7.028 11.621 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.048 -7.199 13.308 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.226 -5.580 12.590 1.00 0.00 H new ATOM 910 N SER A 62 15.262 -7.733 15.656 1.00 0.00 N ATOM 911 CA SER A 62 16.279 -8.560 16.286 1.00 0.00 C ATOM 912 C SER A 62 15.870 -9.996 15.922 1.00 0.00 C ATOM 913 O SER A 62 15.581 -10.815 16.797 1.00 0.00 O ATOM 914 CB SER A 62 16.285 -8.289 17.802 1.00 0.00 C ATOM 915 OG SER A 62 17.003 -7.098 18.094 1.00 0.00 O ATOM 0 H SER A 62 14.416 -8.269 15.463 1.00 0.00 H new ATOM 0 HA SER A 62 17.297 -8.359 15.953 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.261 -8.201 18.165 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.738 -9.131 18.326 1.00 0.00 H new ATOM 0 HG SER A 62 16.949 -6.488 17.329 1.00 0.00 H new ATOM 921 N ASP A 63 15.759 -10.275 14.611 1.00 0.00 N ATOM 922 CA ASP A 63 15.140 -11.499 14.103 1.00 0.00 C ATOM 923 C ASP A 63 15.881 -11.993 12.856 1.00 0.00 C ATOM 924 O ASP A 63 16.394 -11.163 12.097 1.00 0.00 O ATOM 925 CB ASP A 63 13.675 -11.190 13.738 1.00 0.00 C ATOM 926 CG ASP A 63 12.853 -10.610 14.901 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.890 -9.368 15.102 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.163 -11.388 15.605 1.00 0.00 O ATOM 0 H ASP A 63 16.099 -9.653 13.878 1.00 0.00 H new ATOM 0 HA ASP A 63 15.188 -12.275 14.867 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.659 -10.485 12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.197 -12.105 13.389 1.00 0.00 H new ATOM 933 N PRO A 64 15.951 -13.316 12.609 1.00 0.00 N ATOM 934 CA PRO A 64 16.721 -13.888 11.510 1.00 0.00 C ATOM 935 C PRO A 64 15.955 -13.858 10.180 1.00 0.00 C ATOM 936 O PRO A 64 14.724 -13.820 10.158 1.00 0.00 O ATOM 937 CB PRO A 64 17.020 -15.326 11.958 1.00 0.00 C ATOM 938 CG PRO A 64 15.782 -15.696 12.773 1.00 0.00 C ATOM 939 CD PRO A 64 15.425 -14.378 13.461 1.00 0.00 C ATOM 0 HA PRO A 64 17.628 -13.316 11.315 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.158 -15.993 11.107 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.929 -15.381 12.557 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.971 -16.054 12.138 1.00 0.00 H new ATOM 0 HG3 PRO A 64 15.993 -16.485 13.495 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.346 -14.282 13.581 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.862 -14.329 14.458 1.00 0.00 H new ATOM 947 N ILE A 65 16.686 -13.953 9.064 1.00 0.00 N ATOM 948 CA ILE A 65 16.144 -13.965 7.699 1.00 0.00 C ATOM 949 C ILE A 65 15.166 -15.123 7.498 1.00 0.00 C ATOM 950 O ILE A 65 14.165 -14.977 6.804 1.00 0.00 O ATOM 951 CB ILE A 65 17.313 -13.991 6.677 1.00 0.00 C ATOM 952 CG1 ILE A 65 16.820 -13.782 5.223 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.167 -15.273 6.790 1.00 0.00 C ATOM 954 CD1 ILE A 65 17.949 -13.694 4.184 1.00 0.00 C ATOM 0 H ILE A 65 17.703 -14.026 9.086 1.00 0.00 H new ATOM 0 HA ILE A 65 15.570 -13.053 7.533 1.00 0.00 H new ATOM 0 HB ILE A 65 17.956 -13.149 6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.157 -14.604 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.228 -12.868 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 65 18.970 -15.241 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 65 18.594 -15.339 7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 65 17.540 -16.145 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.520 -13.548 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.601 -12.854 4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.528 -14.618 4.196 1.00 0.00 H new ATOM 966 N GLU A 66 15.434 -16.258 8.143 1.00 0.00 N ATOM 967 CA GLU A 66 14.669 -17.480 7.955 1.00 0.00 C ATOM 968 C GLU A 66 13.251 -17.371 8.522 1.00 0.00 C ATOM 969 O GLU A 66 12.361 -18.101 8.079 1.00 0.00 O ATOM 970 CB GLU A 66 15.440 -18.643 8.599 1.00 0.00 C ATOM 971 CG GLU A 66 16.622 -19.129 7.750 1.00 0.00 C ATOM 972 CD GLU A 66 16.160 -19.845 6.464 1.00 0.00 C ATOM 973 OE1 GLU A 66 15.838 -21.058 6.526 1.00 0.00 O ATOM 974 OE2 GLU A 66 16.130 -19.209 5.384 1.00 0.00 O ATOM 0 H GLU A 66 16.195 -16.351 8.815 1.00 0.00 H new ATOM 0 HA GLU A 66 14.551 -17.660 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.808 -18.330 9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.756 -19.475 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.250 -18.279 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.237 -19.808 8.341 1.00 0.00 H new ATOM 981 N ASN A 67 13.019 -16.455 9.475 1.00 0.00 N ATOM 982 CA ASN A 67 11.680 -16.167 9.973 1.00 0.00 C ATOM 983 C ASN A 67 10.897 -15.252 9.010 1.00 0.00 C ATOM 984 O ASN A 67 9.676 -15.144 9.145 1.00 0.00 O ATOM 985 CB ASN A 67 11.708 -15.638 11.423 1.00 0.00 C ATOM 986 CG ASN A 67 11.252 -14.189 11.561 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.138 -13.907 11.997 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.104 -13.248 11.198 1.00 0.00 N ATOM 0 H ASN A 67 13.754 -15.901 9.915 1.00 0.00 H new ATOM 0 HA ASN A 67 11.133 -17.109 10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.071 -16.270 12.042 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.722 -15.728 11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.843 -12.265 11.277 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.024 -13.504 10.839 1.00 0.00 H new ATOM 995 N PHE A 68 11.567 -14.616 8.038 1.00 0.00 N ATOM 996 CA PHE A 68 10.944 -13.758 7.041 1.00 0.00 C ATOM 997 C PHE A 68 10.736 -14.516 5.724 1.00 0.00 C ATOM 998 O PHE A 68 11.196 -15.647 5.545 1.00 0.00 O ATOM 999 CB PHE A 68 11.770 -12.473 6.846 1.00 0.00 C ATOM 1000 CG PHE A 68 11.585 -11.460 7.957 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.423 -10.664 7.995 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.562 -11.308 8.954 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.246 -9.715 9.015 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.392 -10.345 9.969 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.236 -9.547 9.999 1.00 0.00 C ATOM 0 H PHE A 68 12.578 -14.691 7.928 1.00 0.00 H new ATOM 0 HA PHE A 68 9.958 -13.461 7.398 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.826 -12.736 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.494 -12.014 5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.664 -10.784 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.445 -11.930 8.943 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.349 -9.114 9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.152 -10.220 10.726 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.108 -8.807 10.775 1.00 0.00 H new ATOM 1015 N ASN A 69 10.025 -13.874 4.794 1.00 0.00 N ATOM 1016 CA ASN A 69 9.681 -14.407 3.485 1.00 0.00 C ATOM 1017 C ASN A 69 9.629 -13.244 2.510 1.00 0.00 C ATOM 1018 O ASN A 69 8.637 -12.516 2.476 1.00 0.00 O ATOM 1019 CB ASN A 69 8.373 -15.229 3.512 1.00 0.00 C ATOM 1020 CG ASN A 69 7.276 -14.728 4.450 1.00 0.00 C ATOM 1021 OD1 ASN A 69 6.863 -15.433 5.367 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.787 -13.512 4.269 1.00 0.00 N ATOM 0 H ASN A 69 9.662 -12.933 4.944 1.00 0.00 H new ATOM 0 HA ASN A 69 10.442 -15.116 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.969 -15.262 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.619 -16.254 3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.063 -13.155 4.893 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.134 -12.931 3.506 1.00 0.00 H new ATOM 1029 N ALA A 70 10.704 -13.042 1.739 1.00 0.00 N ATOM 1030 CA ALA A 70 10.750 -12.086 0.642 1.00 0.00 C ATOM 1031 C ALA A 70 9.573 -12.208 -0.322 1.00 0.00 C ATOM 1032 O ALA A 70 9.260 -11.237 -1.003 1.00 0.00 O ATOM 1033 CB ALA A 70 12.004 -12.302 -0.182 1.00 0.00 C ATOM 0 H ALA A 70 11.579 -13.551 1.868 1.00 0.00 H new ATOM 0 HA ALA A 70 10.723 -11.104 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.030 -11.583 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.882 -12.166 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.003 -13.314 -0.588 1.00 0.00 H new ATOM 1039 N ASP A 71 8.937 -13.374 -0.384 1.00 0.00 N ATOM 1040 CA ASP A 71 7.712 -13.593 -1.146 1.00 0.00 C ATOM 1041 C ASP A 71 6.644 -12.542 -0.810 1.00 0.00 C ATOM 1042 O ASP A 71 5.802 -12.221 -1.653 1.00 0.00 O ATOM 1043 CB ASP A 71 7.165 -14.999 -0.882 1.00 0.00 C ATOM 1044 CG ASP A 71 5.857 -15.237 -1.653 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.904 -15.357 -2.902 1.00 0.00 O ATOM 1046 OD2 ASP A 71 4.785 -15.355 -1.009 1.00 0.00 O ATOM 0 H ASP A 71 9.265 -14.208 0.103 1.00 0.00 H new ATOM 0 HA ASP A 71 7.959 -13.496 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.906 -15.742 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.990 -15.130 0.186 1.00 0.00 H new ATOM 1051 N ASP A 72 6.714 -11.965 0.396 1.00 0.00 N ATOM 1052 CA ASP A 72 5.798 -10.934 0.880 1.00 0.00 C ATOM 1053 C ASP A 72 6.430 -9.529 0.939 1.00 0.00 C ATOM 1054 O ASP A 72 5.861 -8.642 1.573 1.00 0.00 O ATOM 1055 CB ASP A 72 5.218 -11.355 2.237 1.00 0.00 C ATOM 1056 CG ASP A 72 3.974 -10.526 2.615 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.003 -10.472 1.820 1.00 0.00 O ATOM 1058 OD2 ASP A 72 3.931 -9.981 3.745 1.00 0.00 O ATOM 0 H ASP A 72 7.431 -12.212 1.078 1.00 0.00 H new ATOM 0 HA ASP A 72 4.989 -10.850 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.954 -12.412 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.979 -11.239 3.008 1.00 0.00 H new ATOM 1063 N TYR A 73 7.579 -9.277 0.293 1.00 0.00 N ATOM 1064 CA TYR A 73 8.164 -7.945 0.200 1.00 0.00 C ATOM 1065 C TYR A 73 8.613 -7.698 -1.224 1.00 0.00 C ATOM 1066 O TYR A 73 9.566 -8.312 -1.693 1.00 0.00 O ATOM 1067 CB TYR A 73 9.314 -7.707 1.187 1.00 0.00 C ATOM 1068 CG TYR A 73 8.973 -8.012 2.630 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.911 -9.350 3.052 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.655 -6.979 3.527 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.452 -9.678 4.335 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.218 -7.292 4.826 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.084 -8.643 5.228 1.00 0.00 C ATOM 1074 OH TYR A 73 7.578 -8.918 6.464 1.00 0.00 O ATOM 0 H TYR A 73 8.124 -9.998 -0.179 1.00 0.00 H new ATOM 0 HA TYR A 73 7.390 -7.231 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.164 -8.321 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.630 -6.667 1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.221 -10.136 2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.746 -5.948 3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.380 -10.712 4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.984 -6.499 5.520 1.00 0.00 H new ATOM 0 HH TYR A 73 8.255 -9.382 6.999 1.00 0.00 H new ATOM 1084 N ASP A 74 7.915 -6.785 -1.898 1.00 0.00 N ATOM 1085 CA ASP A 74 8.033 -6.543 -3.333 1.00 0.00 C ATOM 1086 C ASP A 74 9.428 -6.096 -3.760 1.00 0.00 C ATOM 1087 O ASP A 74 9.726 -6.114 -4.949 1.00 0.00 O ATOM 1088 CB ASP A 74 7.042 -5.450 -3.771 1.00 0.00 C ATOM 1089 CG ASP A 74 5.610 -5.702 -3.290 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.336 -5.384 -2.107 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.775 -6.195 -4.086 1.00 0.00 O ATOM 0 H ASP A 74 7.232 -6.176 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 74 7.817 -7.499 -3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.382 -4.487 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.046 -5.381 -4.859 1.00 0.00 H new ATOM 1096 N VAL A 75 10.272 -5.637 -2.846 1.00 0.00 N ATOM 1097 CA VAL A 75 11.544 -4.997 -3.143 1.00 0.00 C ATOM 1098 C VAL A 75 12.493 -5.476 -2.042 1.00 0.00 C ATOM 1099 O VAL A 75 12.168 -5.424 -0.855 1.00 0.00 O ATOM 1100 CB VAL A 75 11.284 -3.487 -3.205 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.478 -2.531 -3.061 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.456 -3.042 -4.416 1.00 0.00 C ATOM 0 H VAL A 75 10.083 -5.702 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 75 12.003 -5.248 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 75 10.712 -3.386 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.129 -1.500 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.958 -2.691 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.196 -2.722 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.318 -1.961 -4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.978 -3.315 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.483 -3.533 -4.392 1.00 0.00 H new ATOM 1112 N VAL A 76 13.671 -5.957 -2.412 1.00 0.00 N ATOM 1113 CA VAL A 76 14.556 -6.645 -1.507 1.00 0.00 C ATOM 1114 C VAL A 76 15.950 -6.109 -1.757 1.00 0.00 C ATOM 1115 O VAL A 76 16.381 -6.019 -2.907 1.00 0.00 O ATOM 1116 CB VAL A 76 14.420 -8.148 -1.819 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.640 -8.959 -1.403 1.00 0.00 C ATOM 1118 CG2 VAL A 76 13.188 -8.743 -1.121 1.00 0.00 C ATOM 0 H VAL A 76 14.036 -5.875 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 76 14.325 -6.493 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 76 14.318 -8.212 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.481 -10.009 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.519 -8.591 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.795 -8.858 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.114 -9.805 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.284 -8.616 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.291 -8.231 -1.468 1.00 0.00 H new ATOM 1128 N ILE A 77 16.633 -5.757 -0.674 1.00 0.00 N ATOM 1129 CA ILE A 77 17.910 -5.089 -0.682 1.00 0.00 C ATOM 1130 C ILE A 77 18.719 -5.881 0.341 1.00 0.00 C ATOM 1131 O ILE A 77 18.536 -5.734 1.552 1.00 0.00 O ATOM 1132 CB ILE A 77 17.723 -3.594 -0.341 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.555 -2.898 -1.091 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.028 -2.841 -0.619 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.703 -2.828 -2.618 1.00 0.00 C ATOM 0 H ILE A 77 16.290 -5.941 0.269 1.00 0.00 H new ATOM 0 HA ILE A 77 18.422 -5.073 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 77 17.460 -3.560 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.630 -3.424 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.451 -1.884 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.897 -1.786 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.826 -3.257 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.290 -2.944 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.836 -2.324 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.606 -2.273 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.772 -3.837 -3.024 1.00 0.00 H new ATOM 1147 N SER A 78 19.576 -6.775 -0.134 1.00 0.00 N ATOM 1148 CA SER A 78 20.227 -7.758 0.710 1.00 0.00 C ATOM 1149 C SER A 78 21.723 -7.473 0.830 1.00 0.00 C ATOM 1150 O SER A 78 22.528 -8.060 0.104 1.00 0.00 O ATOM 1151 CB SER A 78 19.885 -9.164 0.205 1.00 0.00 C ATOM 1152 OG SER A 78 18.493 -9.263 -0.047 1.00 0.00 O ATOM 0 H SER A 78 19.837 -6.836 -1.118 1.00 0.00 H new ATOM 0 HA SER A 78 19.851 -7.693 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.444 -9.378 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.183 -9.907 0.944 1.00 0.00 H new ATOM 0 HG SER A 78 18.282 -10.164 -0.371 1.00 0.00 H new ATOM 1158 N LEU A 79 22.087 -6.600 1.783 1.00 0.00 N ATOM 1159 CA LEU A 79 23.421 -6.057 2.045 1.00 0.00 C ATOM 1160 C LEU A 79 24.317 -7.119 2.679 1.00 0.00 C ATOM 1161 O LEU A 79 25.272 -6.802 3.386 1.00 0.00 O ATOM 1162 CB LEU A 79 23.360 -4.798 2.942 1.00 0.00 C ATOM 1163 CG LEU A 79 22.556 -3.582 2.444 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.039 -3.798 2.462 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.930 -2.328 3.244 1.00 0.00 C ATOM 0 H LEU A 79 21.399 -6.229 2.439 1.00 0.00 H new ATOM 0 HA LEU A 79 23.848 -5.761 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.947 -5.097 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.383 -4.468 3.122 1.00 0.00 H new ATOM 0 HG LEU A 79 22.830 -3.444 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.539 -2.900 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.784 -4.641 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.713 -4.007 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.353 -1.478 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.710 -2.490 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.994 -2.123 3.123 1.00 0.00 H new ATOM 1177 N CYS A 80 24.022 -8.390 2.431 1.00 0.00 N ATOM 1178 CA CYS A 80 24.830 -9.547 2.749 1.00 0.00 C ATOM 1179 C CYS A 80 26.161 -9.534 1.973 1.00 0.00 C ATOM 1180 O CYS A 80 26.941 -10.474 2.103 1.00 0.00 O ATOM 1181 CB CYS A 80 24.010 -10.820 2.454 1.00 0.00 C ATOM 1182 SG CYS A 80 22.273 -10.658 2.981 1.00 0.00 S ATOM 0 H CYS A 80 23.150 -8.650 1.970 1.00 0.00 H new ATOM 0 HA CYS A 80 25.092 -9.527 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.045 -11.033 1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 80 24.465 -11.669 2.964 1.00 0.00 H new ATOM 0 HG CYS A 80 21.632 -11.755 2.707 1.00 0.00 H new ATOM 1188 N GLY A 81 26.420 -8.504 1.154 1.00 0.00 N ATOM 1189 CA GLY A 81 27.700 -8.332 0.464 1.00 0.00 C ATOM 1190 C GLY A 81 27.716 -9.053 -0.882 1.00 0.00 C ATOM 1191 O GLY A 81 28.778 -9.476 -1.338 1.00 0.00 O ATOM 0 H GLY A 81 25.744 -7.767 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.891 -7.270 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.506 -8.713 1.091 1.00 0.00 H new ATOM 1195 N CYS A 82 26.534 -9.237 -1.484 1.00 0.00 N ATOM 1196 CA CYS A 82 26.287 -9.979 -2.724 1.00 0.00 C ATOM 1197 C CYS A 82 26.910 -11.391 -2.768 1.00 0.00 C ATOM 1198 O CYS A 82 27.077 -11.956 -3.851 1.00 0.00 O ATOM 1199 CB CYS A 82 26.708 -9.112 -3.923 1.00 0.00 C ATOM 1200 SG CYS A 82 25.629 -9.406 -5.354 1.00 0.00 S ATOM 0 H CYS A 82 25.675 -8.849 -1.095 1.00 0.00 H new ATOM 0 HA CYS A 82 25.216 -10.176 -2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.670 -8.059 -3.645 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.741 -9.334 -4.191 1.00 0.00 H new ATOM 0 HG CYS A 82 26.011 -8.658 -6.346 1.00 0.00 H new ATOM 1206 N GLY A 83 27.240 -11.978 -1.612 1.00 0.00 N ATOM 1207 CA GLY A 83 27.900 -13.277 -1.504 1.00 0.00 C ATOM 1208 C GLY A 83 26.949 -14.335 -0.957 1.00 0.00 C ATOM 1209 O GLY A 83 27.391 -15.308 -0.345 1.00 0.00 O ATOM 0 H GLY A 83 27.049 -11.550 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 83 28.266 -13.585 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.769 -13.193 -0.851 1.00 0.00 H new ATOM 1213 N VAL A 84 25.642 -14.121 -1.137 1.00 0.00 N ATOM 1214 CA VAL A 84 24.569 -14.932 -0.593 1.00 0.00 C ATOM 1215 C VAL A 84 23.606 -15.207 -1.743 1.00 0.00 C ATOM 1216 O VAL A 84 23.100 -14.283 -2.383 1.00 0.00 O ATOM 1217 CB VAL A 84 23.924 -14.252 0.630 1.00 0.00 C ATOM 1218 CG1 VAL A 84 22.941 -15.199 1.337 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.010 -13.841 1.635 1.00 0.00 C ATOM 0 H VAL A 84 25.296 -13.339 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 84 24.930 -15.884 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 84 23.384 -13.375 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.501 -14.692 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.152 -15.488 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.472 -16.089 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 84 24.546 -13.361 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.556 -14.726 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.700 -13.144 1.160 1.00 0.00 H new ATOM 1229 N ASN A 85 23.402 -16.497 -2.024 1.00 0.00 N ATOM 1230 CA ASN A 85 22.552 -16.967 -3.117 1.00 0.00 C ATOM 1231 C ASN A 85 21.077 -16.632 -2.847 1.00 0.00 C ATOM 1232 O ASN A 85 20.394 -16.155 -3.756 1.00 0.00 O ATOM 1233 CB ASN A 85 22.806 -18.472 -3.326 1.00 0.00 C ATOM 1234 CG ASN A 85 21.561 -19.237 -3.761 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.156 -19.192 -4.920 1.00 0.00 O ATOM 1236 ND2 ASN A 85 20.954 -19.962 -2.832 1.00 0.00 N ATOM 0 H ASN A 85 23.830 -17.254 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 85 22.804 -16.452 -4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.585 -18.601 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.183 -18.902 -2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 85 20.124 -20.505 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 85 21.317 -19.977 -1.879 1.00 0.00 H new ATOM 1243 N LEU A 86 20.649 -16.796 -1.582 1.00 0.00 N ATOM 1244 CA LEU A 86 19.291 -16.578 -1.049 1.00 0.00 C ATOM 1245 C LEU A 86 18.254 -17.547 -1.652 1.00 0.00 C ATOM 1246 O LEU A 86 18.424 -18.016 -2.781 1.00 0.00 O ATOM 1247 CB LEU A 86 18.824 -15.114 -1.227 1.00 0.00 C ATOM 1248 CG LEU A 86 19.743 -14.034 -0.624 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.355 -12.650 -1.146 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.667 -14.008 0.909 1.00 0.00 C ATOM 0 H LEU A 86 21.290 -17.107 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 86 19.357 -16.787 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.714 -14.916 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.835 -15.012 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 86 20.760 -14.284 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.014 -11.899 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.451 -12.631 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.324 -12.433 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.330 -13.233 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.644 -13.797 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.973 -14.976 1.305 1.00 0.00 H new ATOM 1262 N PRO A 87 17.163 -17.869 -0.927 1.00 0.00 N ATOM 1263 CA PRO A 87 16.034 -18.593 -1.509 1.00 0.00 C ATOM 1264 C PRO A 87 15.480 -17.828 -2.718 1.00 0.00 C ATOM 1265 O PRO A 87 15.509 -16.594 -2.716 1.00 0.00 O ATOM 1266 CB PRO A 87 14.979 -18.704 -0.409 1.00 0.00 C ATOM 1267 CG PRO A 87 15.762 -18.498 0.890 1.00 0.00 C ATOM 1268 CD PRO A 87 16.930 -17.602 0.483 1.00 0.00 C ATOM 0 HA PRO A 87 16.333 -19.580 -1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.200 -17.951 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.487 -19.676 -0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.146 -18.027 1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.111 -19.446 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.692 -16.551 0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.818 -17.824 1.075 1.00 0.00 H new ATOM 1276 N PRO A 88 14.883 -18.500 -3.714 1.00 0.00 N ATOM 1277 CA PRO A 88 14.541 -17.854 -4.974 1.00 0.00 C ATOM 1278 C PRO A 88 13.458 -16.775 -4.860 1.00 0.00 C ATOM 1279 O PRO A 88 13.378 -15.899 -5.719 1.00 0.00 O ATOM 1280 CB PRO A 88 14.143 -18.986 -5.930 1.00 0.00 C ATOM 1281 CG PRO A 88 13.710 -20.111 -4.990 1.00 0.00 C ATOM 1282 CD PRO A 88 14.623 -19.929 -3.781 1.00 0.00 C ATOM 0 HA PRO A 88 15.399 -17.294 -5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.333 -18.684 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.978 -19.290 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.658 -20.024 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 88 13.840 -21.091 -5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.145 -20.286 -2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.548 -20.493 -3.897 1.00 0.00 H new ATOM 1290 N GLU A 89 12.651 -16.770 -3.793 1.00 0.00 N ATOM 1291 CA GLU A 89 11.636 -15.749 -3.582 1.00 0.00 C ATOM 1292 C GLU A 89 12.277 -14.377 -3.384 1.00 0.00 C ATOM 1293 O GLU A 89 11.683 -13.356 -3.706 1.00 0.00 O ATOM 1294 CB GLU A 89 10.733 -16.119 -2.399 1.00 0.00 C ATOM 1295 CG GLU A 89 11.470 -16.468 -1.102 1.00 0.00 C ATOM 1296 CD GLU A 89 10.475 -16.736 0.038 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.087 -15.758 0.715 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.097 -17.914 0.258 1.00 0.00 O ATOM 0 H GLU A 89 12.688 -17.475 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 89 11.012 -15.696 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.059 -15.285 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.114 -16.969 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.095 -17.347 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.135 -15.650 -0.825 1.00 0.00 H new ATOM 1305 N TRP A 90 13.515 -14.330 -2.897 1.00 0.00 N ATOM 1306 CA TRP A 90 14.254 -13.089 -2.757 1.00 0.00 C ATOM 1307 C TRP A 90 14.617 -12.461 -4.112 1.00 0.00 C ATOM 1308 O TRP A 90 15.061 -11.314 -4.130 1.00 0.00 O ATOM 1309 CB TRP A 90 15.484 -13.324 -1.862 1.00 0.00 C ATOM 1310 CG TRP A 90 15.187 -13.657 -0.416 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.731 -14.837 0.066 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.223 -12.780 0.752 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.441 -14.726 1.415 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.647 -13.446 1.868 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.589 -11.442 0.953 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.384 -12.798 3.084 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.296 -10.748 2.140 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.695 -11.432 3.214 1.00 0.00 C ATOM 0 H TRP A 90 14.030 -15.155 -2.590 1.00 0.00 H new ATOM 0 HA TRP A 90 13.610 -12.356 -2.272 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.072 -14.136 -2.290 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.107 -12.430 -1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.611 -15.737 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.116 -15.497 1.998 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.116 -10.924 0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 13.948 -13.341 3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.530 -9.697 2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.474 -10.910 4.133 1.00 0.00 H new ATOM 1329 N VAL A 91 14.399 -13.155 -5.236 1.00 0.00 N ATOM 1330 CA VAL A 91 14.858 -12.764 -6.559 1.00 0.00 C ATOM 1331 C VAL A 91 13.686 -12.308 -7.438 1.00 0.00 C ATOM 1332 O VAL A 91 13.859 -11.449 -8.302 1.00 0.00 O ATOM 1333 CB VAL A 91 15.646 -13.930 -7.177 1.00 0.00 C ATOM 1334 CG1 VAL A 91 16.271 -13.605 -8.541 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.754 -14.463 -6.246 1.00 0.00 C ATOM 0 H VAL A 91 13.880 -14.033 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 91 15.525 -11.905 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 91 14.889 -14.701 -7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.810 -14.477 -8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.485 -13.337 -9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.963 -12.769 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.276 -15.285 -6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 91 17.461 -13.663 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.309 -14.818 -5.317 1.00 0.00 H new ATOM 1345 N THR A 92 12.485 -12.851 -7.221 1.00 0.00 N ATOM 1346 CA THR A 92 11.330 -12.678 -8.107 1.00 0.00 C ATOM 1347 C THR A 92 10.669 -11.292 -7.990 1.00 0.00 C ATOM 1348 O THR A 92 9.904 -10.877 -8.865 1.00 0.00 O ATOM 1349 CB THR A 92 10.332 -13.805 -7.792 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.161 -13.926 -6.388 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.890 -15.137 -8.294 1.00 0.00 C ATOM 0 H THR A 92 12.284 -13.435 -6.409 1.00 0.00 H new ATOM 0 HA THR A 92 11.669 -12.735 -9.141 1.00 0.00 H new ATOM 0 HB THR A 92 9.384 -13.568 -8.276 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.523 -14.645 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.182 -15.935 -8.070 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.047 -15.083 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.839 -15.344 -7.799 1.00 0.00 H new ATOM 1359 N GLN A 93 10.973 -10.591 -6.901 1.00 0.00 N ATOM 1360 CA GLN A 93 10.574 -9.255 -6.531 1.00 0.00 C ATOM 1361 C GLN A 93 10.833 -8.202 -7.617 1.00 0.00 C ATOM 1362 O GLN A 93 11.652 -8.392 -8.522 1.00 0.00 O ATOM 1363 CB GLN A 93 11.370 -8.983 -5.247 1.00 0.00 C ATOM 1364 CG GLN A 93 11.057 -9.910 -4.067 1.00 0.00 C ATOM 1365 CD GLN A 93 9.619 -10.449 -4.059 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.622 -9.734 -4.126 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.497 -11.761 -4.105 1.00 0.00 N ATOM 0 H GLN A 93 11.572 -11.000 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 93 9.496 -9.185 -6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.433 -9.061 -5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.186 -7.954 -4.937 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.749 -10.752 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.237 -9.371 -3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.326 -12.353 -4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.574 -12.184 -4.196 1.00 0.00 H new ATOM 1376 N GLU A 94 10.136 -7.065 -7.498 1.00 0.00 N ATOM 1377 CA GLU A 94 10.242 -5.915 -8.373 1.00 0.00 C ATOM 1378 C GLU A 94 11.663 -5.357 -8.282 1.00 0.00 C ATOM 1379 O GLU A 94 12.247 -5.000 -9.309 1.00 0.00 O ATOM 1380 CB GLU A 94 9.152 -4.899 -7.975 1.00 0.00 C ATOM 1381 CG GLU A 94 9.487 -3.433 -8.233 1.00 0.00 C ATOM 1382 CD GLU A 94 9.706 -3.072 -9.718 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.176 -3.766 -10.619 1.00 0.00 O ATOM 1384 OE2 GLU A 94 10.383 -2.052 -9.991 1.00 0.00 O ATOM 0 H GLU A 94 9.455 -6.926 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 94 10.073 -6.176 -9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.238 -5.144 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.937 -5.022 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.680 -2.815 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.387 -3.177 -7.674 1.00 0.00 H new ATOM 1391 N ILE A 95 12.237 -5.351 -7.073 1.00 0.00 N ATOM 1392 CA ILE A 95 13.647 -5.058 -6.888 1.00 0.00 C ATOM 1393 C ILE A 95 14.278 -6.212 -6.124 1.00 0.00 C ATOM 1394 O ILE A 95 13.728 -6.683 -5.129 1.00 0.00 O ATOM 1395 CB ILE A 95 13.879 -3.737 -6.123 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.445 -2.473 -6.881 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.358 -3.562 -5.718 1.00 0.00 C ATOM 1398 CD1 ILE A 95 14.225 -2.136 -8.157 1.00 0.00 C ATOM 0 H ILE A 95 11.735 -5.548 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 95 14.105 -4.940 -7.870 1.00 0.00 H new ATOM 0 HB ILE A 95 13.243 -3.835 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.392 -2.578 -7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.522 -1.625 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.480 -2.621 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.659 -4.388 -5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.982 -3.554 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.824 -1.224 -8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 95 15.277 -1.988 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.130 -2.956 -8.869 1.00 0.00 H new ATOM 1410 N PHE A 96 15.446 -6.629 -6.597 1.00 0.00 N ATOM 1411 CA PHE A 96 16.344 -7.506 -5.880 1.00 0.00 C ATOM 1412 C PHE A 96 17.691 -6.847 -6.136 1.00 0.00 C ATOM 1413 O PHE A 96 18.222 -6.869 -7.251 1.00 0.00 O ATOM 1414 CB PHE A 96 16.331 -8.991 -6.263 1.00 0.00 C ATOM 1415 CG PHE A 96 17.552 -9.734 -5.716 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.086 -9.423 -4.444 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.235 -10.661 -6.527 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.294 -9.992 -4.007 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.421 -11.267 -6.074 1.00 0.00 C ATOM 1420 CZ PHE A 96 19.955 -10.929 -4.820 1.00 0.00 C ATOM 0 H PHE A 96 15.798 -6.356 -7.515 1.00 0.00 H new ATOM 0 HA PHE A 96 16.051 -7.588 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.422 -9.456 -5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.305 -9.085 -7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.557 -8.737 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.846 -10.908 -7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.712 -9.711 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.923 -11.995 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.872 -11.388 -4.481 1.00 0.00 H new ATOM 1430 N GLU A 97 18.181 -6.184 -5.105 1.00 0.00 N ATOM 1431 CA GLU A 97 19.472 -5.547 -5.054 1.00 0.00 C ATOM 1432 C GLU A 97 20.165 -6.048 -3.787 1.00 0.00 C ATOM 1433 O GLU A 97 19.606 -6.830 -3.010 1.00 0.00 O ATOM 1434 CB GLU A 97 19.307 -4.012 -5.091 1.00 0.00 C ATOM 1435 CG GLU A 97 19.909 -3.393 -6.358 1.00 0.00 C ATOM 1436 CD GLU A 97 21.391 -3.759 -6.585 1.00 0.00 C ATOM 1437 OE1 GLU A 97 22.178 -3.791 -5.609 1.00 0.00 O ATOM 1438 OE2 GLU A 97 21.765 -4.024 -7.753 1.00 0.00 O ATOM 0 H GLU A 97 17.656 -6.073 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 97 20.089 -5.798 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.248 -3.761 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 97 19.785 -3.576 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.328 -3.717 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.817 -2.308 -6.301 1.00 0.00 H new ATOM 1445 N ASP A 98 21.395 -5.609 -3.589 1.00 0.00 N ATOM 1446 CA ASP A 98 22.250 -6.065 -2.509 1.00 0.00 C ATOM 1447 C ASP A 98 22.743 -4.853 -1.735 1.00 0.00 C ATOM 1448 O ASP A 98 22.412 -4.740 -0.562 1.00 0.00 O ATOM 1449 CB ASP A 98 23.365 -6.979 -3.042 1.00 0.00 C ATOM 1450 CG ASP A 98 24.743 -6.570 -2.518 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.084 -6.910 -1.361 1.00 0.00 O ATOM 1452 OD2 ASP A 98 25.461 -5.886 -3.287 1.00 0.00 O ATOM 0 H ASP A 98 21.836 -4.911 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 98 21.695 -6.688 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 98 23.158 -8.009 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.368 -6.949 -4.132 1.00 0.00 H new ATOM 1457 N TRP A 99 23.402 -3.902 -2.400 1.00 0.00 N ATOM 1458 CA TRP A 99 24.116 -2.797 -1.758 1.00 0.00 C ATOM 1459 C TRP A 99 25.159 -3.331 -0.761 1.00 0.00 C ATOM 1460 O TRP A 99 25.063 -3.116 0.447 1.00 0.00 O ATOM 1461 CB TRP A 99 23.171 -1.741 -1.146 1.00 0.00 C ATOM 1462 CG TRP A 99 22.101 -1.158 -2.016 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.929 -1.352 -3.343 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.975 -0.338 -1.589 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.753 -0.761 -3.752 1.00 0.00 N ATOM 1466 CE2 TRP A 99 20.091 -0.181 -2.695 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.594 0.260 -0.366 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.843 0.435 -2.571 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.353 0.914 -0.238 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.468 0.956 -1.326 1.00 0.00 C ATOM 0 H TRP A 99 23.455 -3.878 -3.418 1.00 0.00 H new ATOM 0 HA TRP A 99 24.658 -2.260 -2.536 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.687 -2.191 -0.279 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.785 -0.919 -0.778 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.611 -1.889 -3.986 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.417 -0.755 -4.715 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.263 0.215 0.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 18.179 0.508 -3.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 19.083 1.383 0.697 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.489 1.394 -1.202 1.00 0.00 H new ATOM 1481 N GLN A 100 26.169 -4.017 -1.299 1.00 0.00 N ATOM 1482 CA GLN A 100 27.422 -4.493 -0.696 1.00 0.00 C ATOM 1483 C GLN A 100 28.272 -3.358 -0.049 1.00 0.00 C ATOM 1484 O GLN A 100 29.465 -3.220 -0.335 1.00 0.00 O ATOM 1485 CB GLN A 100 28.241 -5.208 -1.789 1.00 0.00 C ATOM 1486 CG GLN A 100 28.495 -4.408 -3.089 1.00 0.00 C ATOM 1487 CD GLN A 100 28.819 -5.332 -4.262 1.00 0.00 C ATOM 1488 OE1 GLN A 100 29.957 -5.424 -4.724 1.00 0.00 O ATOM 1489 NE2 GLN A 100 27.814 -6.025 -4.775 1.00 0.00 N ATOM 0 H GLN A 100 26.126 -4.285 -2.282 1.00 0.00 H new ATOM 0 HA GLN A 100 27.163 -5.172 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 100 29.206 -5.488 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.727 -6.133 -2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 100 27.615 -3.811 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.320 -3.712 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 100 26.878 -5.936 -4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 100 27.976 -6.648 -5.566 1.00 0.00 H new ATOM 1498 N LEU A 101 27.656 -2.475 0.734 1.00 0.00 N ATOM 1499 CA LEU A 101 28.255 -1.238 1.214 1.00 0.00 C ATOM 1500 C LEU A 101 29.337 -1.458 2.286 1.00 0.00 C ATOM 1501 O LEU A 101 29.675 -2.587 2.637 1.00 0.00 O ATOM 1502 CB LEU A 101 27.123 -0.264 1.672 1.00 0.00 C ATOM 1503 CG LEU A 101 26.975 1.042 0.857 1.00 0.00 C ATOM 1504 CD1 LEU A 101 28.177 1.977 1.029 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.771 0.766 -0.635 1.00 0.00 C ATOM 0 H LEU A 101 26.698 -2.607 1.060 1.00 0.00 H new ATOM 0 HA LEU A 101 28.797 -0.776 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.175 -0.800 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.300 0.001 2.714 1.00 0.00 H new ATOM 0 HG LEU A 101 26.088 1.535 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 101 28.024 2.879 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.281 2.246 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 101 29.082 1.471 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.672 1.711 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.629 0.217 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.867 0.173 -0.775 1.00 0.00 H new ATOM 1517 N GLU A 102 29.879 -0.347 2.790 1.00 0.00 N ATOM 1518 CA GLU A 102 30.907 -0.255 3.823 1.00 0.00 C ATOM 1519 C GLU A 102 30.505 -0.978 5.108 1.00 0.00 C ATOM 1520 O GLU A 102 29.352 -1.333 5.326 1.00 0.00 O ATOM 1521 CB GLU A 102 31.137 1.234 4.136 1.00 0.00 C ATOM 1522 CG GLU A 102 31.906 1.978 3.039 1.00 0.00 C ATOM 1523 CD GLU A 102 31.920 3.495 3.311 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.874 4.154 3.092 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.978 4.028 3.721 1.00 0.00 O ATOM 0 H GLU A 102 29.589 0.575 2.463 1.00 0.00 H new ATOM 0 HA GLU A 102 31.813 -0.733 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.172 1.719 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.685 1.319 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.929 1.604 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.446 1.782 2.070 1.00 0.00 H new ATOM 1532 N ASP A 103 31.462 -1.140 6.007 1.00 0.00 N ATOM 1533 CA ASP A 103 31.319 -1.768 7.317 1.00 0.00 C ATOM 1534 C ASP A 103 31.567 -0.719 8.411 1.00 0.00 C ATOM 1535 O ASP A 103 32.720 -0.340 8.651 1.00 0.00 O ATOM 1536 CB ASP A 103 32.292 -2.943 7.456 1.00 0.00 C ATOM 1537 CG ASP A 103 32.249 -3.515 8.880 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.220 -3.334 9.571 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.232 -4.172 9.293 1.00 0.00 O ATOM 0 H ASP A 103 32.415 -0.820 5.835 1.00 0.00 H new ATOM 0 HA ASP A 103 30.307 -2.159 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.035 -3.722 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.304 -2.614 7.221 1.00 0.00 H new ATOM 1544 N PRO A 104 30.509 -0.199 9.062 1.00 0.00 N ATOM 1545 CA PRO A 104 30.652 0.723 10.179 1.00 0.00 C ATOM 1546 C PRO A 104 30.881 0.004 11.521 1.00 0.00 C ATOM 1547 O PRO A 104 31.109 0.705 12.500 1.00 0.00 O ATOM 1548 CB PRO A 104 29.344 1.519 10.189 1.00 0.00 C ATOM 1549 CG PRO A 104 28.316 0.475 9.742 1.00 0.00 C ATOM 1550 CD PRO A 104 29.097 -0.415 8.768 1.00 0.00 C ATOM 0 HA PRO A 104 31.530 1.357 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.117 1.914 11.179 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.381 2.369 9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.933 -0.097 10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.458 0.941 9.258 1.00 0.00 H new ATOM 0 HD2 PRO A 104 28.828 -1.463 8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 104 28.870 -0.153 7.734 1.00 0.00 H new ATOM 1558 N ASP A 105 30.841 -1.340 11.573 1.00 0.00 N ATOM 1559 CA ASP A 105 30.977 -2.210 12.751 1.00 0.00 C ATOM 1560 C ASP A 105 30.579 -1.514 14.061 1.00 0.00 C ATOM 1561 O ASP A 105 29.390 -1.335 14.333 1.00 0.00 O ATOM 1562 CB ASP A 105 32.397 -2.798 12.811 1.00 0.00 C ATOM 1563 CG ASP A 105 32.573 -3.732 14.025 1.00 0.00 C ATOM 1564 OD1 ASP A 105 31.609 -4.421 14.431 1.00 0.00 O ATOM 1565 OD2 ASP A 105 33.688 -3.740 14.598 1.00 0.00 O ATOM 0 H ASP A 105 30.702 -1.887 10.724 1.00 0.00 H new ATOM 0 HA ASP A 105 30.269 -3.031 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 105 32.602 -3.350 11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 105 33.125 -1.988 12.865 1.00 0.00 H new ATOM 1570 N GLY A 106 31.582 -1.080 14.819 1.00 0.00 N ATOM 1571 CA GLY A 106 31.518 -0.215 15.984 1.00 0.00 C ATOM 1572 C GLY A 106 32.660 0.799 15.856 1.00 0.00 C ATOM 1573 O GLY A 106 33.419 1.009 16.803 1.00 0.00 O ATOM 0 H GLY A 106 32.543 -1.351 14.612 1.00 0.00 H new ATOM 0 HA2 GLY A 106 30.555 0.294 16.034 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.619 -0.796 16.901 1.00 0.00 H new ATOM 1577 N GLN A 107 32.849 1.316 14.636 1.00 0.00 N ATOM 1578 CA GLN A 107 33.927 2.206 14.227 1.00 0.00 C ATOM 1579 C GLN A 107 33.804 3.591 14.868 1.00 0.00 C ATOM 1580 O GLN A 107 32.948 3.861 15.717 1.00 0.00 O ATOM 1581 CB GLN A 107 33.948 2.320 12.682 1.00 0.00 C ATOM 1582 CG GLN A 107 34.484 1.044 12.020 1.00 0.00 C ATOM 1583 CD GLN A 107 35.443 1.365 10.872 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.552 1.848 11.091 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.049 1.130 9.631 1.00 0.00 N ATOM 0 H GLN A 107 32.212 1.108 13.867 1.00 0.00 H new ATOM 0 HA GLN A 107 34.868 1.778 14.574 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.940 2.521 12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.567 3.168 12.389 1.00 0.00 H new ATOM 0 HG2 GLN A 107 34.997 0.435 12.764 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.650 0.451 11.643 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.128 0.729 9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.667 1.350 8.850 1.00 0.00 H new ATOM 1594 N SER A 108 34.703 4.471 14.431 1.00 0.00 N ATOM 1595 CA SER A 108 34.655 5.888 14.719 1.00 0.00 C ATOM 1596 C SER A 108 33.315 6.438 14.222 1.00 0.00 C ATOM 1597 O SER A 108 32.731 5.931 13.254 1.00 0.00 O ATOM 1598 CB SER A 108 35.862 6.580 14.061 1.00 0.00 C ATOM 1599 OG SER A 108 36.113 6.058 12.762 1.00 0.00 O ATOM 0 H SER A 108 35.501 4.204 13.854 1.00 0.00 H new ATOM 0 HA SER A 108 34.720 6.080 15.790 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.677 7.652 13.995 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.745 6.447 14.686 1.00 0.00 H new ATOM 0 HG SER A 108 36.884 6.518 12.368 1.00 0.00 H new ATOM 1605 N LEU A 109 32.850 7.517 14.859 1.00 0.00 N ATOM 1606 CA LEU A 109 31.589 8.155 14.493 1.00 0.00 C ATOM 1607 C LEU A 109 31.622 8.615 13.042 1.00 0.00 C ATOM 1608 O LEU A 109 30.597 8.594 12.375 1.00 0.00 O ATOM 1609 CB LEU A 109 31.270 9.335 15.427 1.00 0.00 C ATOM 1610 CG LEU A 109 31.127 8.983 16.923 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.553 10.186 17.686 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.260 7.741 17.178 1.00 0.00 C ATOM 0 H LEU A 109 33.335 7.967 15.636 1.00 0.00 H new ATOM 0 HA LEU A 109 30.796 7.416 14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.057 10.081 15.322 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.343 9.800 15.092 1.00 0.00 H new ATOM 0 HG LEU A 109 32.127 8.743 17.285 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.454 9.934 18.742 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.223 11.039 17.578 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.574 10.441 17.280 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.202 7.551 18.250 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.258 7.910 16.785 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.704 6.879 16.681 1.00 0.00 H new ATOM 1624 N GLU A 110 32.796 8.973 12.522 1.00 0.00 N ATOM 1625 CA GLU A 110 32.945 9.419 11.144 1.00 0.00 C ATOM 1626 C GLU A 110 32.534 8.327 10.178 1.00 0.00 C ATOM 1627 O GLU A 110 31.849 8.623 9.199 1.00 0.00 O ATOM 1628 CB GLU A 110 34.389 9.848 10.864 1.00 0.00 C ATOM 1629 CG GLU A 110 34.683 11.127 11.639 1.00 0.00 C ATOM 1630 CD GLU A 110 36.066 11.707 11.291 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.068 11.331 11.948 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.159 12.553 10.369 1.00 0.00 O ATOM 0 H GLU A 110 33.670 8.961 13.048 1.00 0.00 H new ATOM 0 HA GLU A 110 32.291 10.279 10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.081 9.060 11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.533 10.013 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.914 11.868 11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.634 10.922 12.708 1.00 0.00 H new ATOM 1639 N VAL A 111 32.895 7.062 10.433 1.00 0.00 N ATOM 1640 CA VAL A 111 32.470 6.012 9.536 1.00 0.00 C ATOM 1641 C VAL A 111 30.974 5.786 9.699 1.00 0.00 C ATOM 1642 O VAL A 111 30.294 5.723 8.681 1.00 0.00 O ATOM 1643 CB VAL A 111 33.322 4.741 9.696 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.875 3.710 8.649 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.815 5.042 9.479 1.00 0.00 C ATOM 0 H VAL A 111 33.460 6.761 11.227 1.00 0.00 H new ATOM 0 HA VAL A 111 32.638 6.320 8.504 1.00 0.00 H new ATOM 0 HB VAL A 111 33.185 4.358 10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.472 2.804 8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.823 3.470 8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 111 33.013 4.123 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.392 4.125 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.964 5.436 8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.148 5.778 10.211 1.00 0.00 H new ATOM 1655 N PHE A 112 30.423 5.771 10.918 1.00 0.00 N ATOM 1656 CA PHE A 112 28.964 5.736 11.074 1.00 0.00 C ATOM 1657 C PHE A 112 28.274 6.821 10.230 1.00 0.00 C ATOM 1658 O PHE A 112 27.379 6.496 9.451 1.00 0.00 O ATOM 1659 CB PHE A 112 28.552 5.857 12.540 1.00 0.00 C ATOM 1660 CG PHE A 112 28.564 4.557 13.314 1.00 0.00 C ATOM 1661 CD1 PHE A 112 27.452 3.693 13.244 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.657 4.220 14.132 1.00 0.00 C ATOM 1663 CE1 PHE A 112 27.440 2.497 13.981 1.00 0.00 C ATOM 1664 CE2 PHE A 112 29.643 3.023 14.868 1.00 0.00 C ATOM 1665 CZ PHE A 112 28.538 2.158 14.789 1.00 0.00 C ATOM 0 H PHE A 112 30.950 5.782 11.791 1.00 0.00 H new ATOM 0 HA PHE A 112 28.633 4.764 10.708 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.220 6.563 13.033 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.549 6.282 12.587 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.607 3.951 12.622 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.508 4.882 14.195 1.00 0.00 H new ATOM 0 HE1 PHE A 112 26.586 1.838 13.926 1.00 0.00 H new ATOM 0 HE2 PHE A 112 30.484 2.767 15.496 1.00 0.00 H new ATOM 0 HZ PHE A 112 28.533 1.234 15.349 1.00 0.00 H new ATOM 1675 N ARG A 113 28.727 8.081 10.306 1.00 0.00 N ATOM 1676 CA ARG A 113 28.188 9.175 9.484 1.00 0.00 C ATOM 1677 C ARG A 113 28.340 8.879 7.998 1.00 0.00 C ATOM 1678 O ARG A 113 27.415 9.119 7.225 1.00 0.00 O ATOM 1679 CB ARG A 113 28.907 10.507 9.769 1.00 0.00 C ATOM 1680 CG ARG A 113 28.651 11.074 11.174 1.00 0.00 C ATOM 1681 CD ARG A 113 29.296 12.454 11.330 1.00 0.00 C ATOM 1682 NE ARG A 113 28.959 13.042 12.636 1.00 0.00 N ATOM 1683 CZ ARG A 113 29.697 13.912 13.334 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.848 14.387 12.859 1.00 0.00 N ATOM 1685 NH2 ARG A 113 29.268 14.310 14.524 1.00 0.00 N ATOM 0 H ARG A 113 29.475 8.370 10.937 1.00 0.00 H new ATOM 0 HA ARG A 113 27.133 9.258 9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.979 10.363 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.591 11.243 9.030 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.578 11.147 11.351 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.053 10.393 11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.378 12.368 11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 113 28.956 13.112 10.531 1.00 0.00 H new ATOM 0 HE ARG A 113 28.072 12.757 13.051 1.00 0.00 H new ATOM 0 HH11 ARG A 113 31.184 14.088 11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 113 31.393 15.050 13.411 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.387 13.953 14.894 1.00 0.00 H new ATOM 0 HH22 ARG A 113 29.819 14.973 15.069 1.00 0.00 H new ATOM 1699 N THR A 114 29.504 8.386 7.595 1.00 0.00 N ATOM 1700 CA THR A 114 29.806 8.205 6.189 1.00 0.00 C ATOM 1701 C THR A 114 28.929 7.092 5.616 1.00 0.00 C ATOM 1702 O THR A 114 28.335 7.282 4.551 1.00 0.00 O ATOM 1703 CB THR A 114 31.303 7.901 6.010 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.085 8.967 6.524 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.679 7.712 4.536 1.00 0.00 C ATOM 0 H THR A 114 30.254 8.105 8.227 1.00 0.00 H new ATOM 0 HA THR A 114 29.587 9.122 5.641 1.00 0.00 H new ATOM 0 HB THR A 114 31.501 6.976 6.551 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.018 8.980 7.502 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.745 7.499 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.111 6.880 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.448 8.622 3.982 1.00 0.00 H new ATOM 1713 N VAL A 115 28.802 5.956 6.316 1.00 0.00 N ATOM 1714 CA VAL A 115 28.096 4.801 5.758 1.00 0.00 C ATOM 1715 C VAL A 115 26.628 5.173 5.637 1.00 0.00 C ATOM 1716 O VAL A 115 26.050 5.032 4.567 1.00 0.00 O ATOM 1717 CB VAL A 115 28.326 3.499 6.557 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.592 2.319 5.891 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.819 3.167 6.626 1.00 0.00 C ATOM 0 H VAL A 115 29.174 5.815 7.255 1.00 0.00 H new ATOM 0 HA VAL A 115 28.500 4.571 4.772 1.00 0.00 H new ATOM 0 HB VAL A 115 27.937 3.655 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.765 1.410 6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.523 2.528 5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.968 2.182 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.961 2.247 7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 115 30.210 3.036 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.351 3.982 7.118 1.00 0.00 H new ATOM 1729 N ARG A 116 26.067 5.743 6.705 1.00 0.00 N ATOM 1730 CA ARG A 116 24.747 6.363 6.724 1.00 0.00 C ATOM 1731 C ARG A 116 24.537 7.219 5.481 1.00 0.00 C ATOM 1732 O ARG A 116 23.583 6.979 4.755 1.00 0.00 O ATOM 1733 CB ARG A 116 24.695 7.165 8.027 1.00 0.00 C ATOM 1734 CG ARG A 116 23.508 8.100 8.257 1.00 0.00 C ATOM 1735 CD ARG A 116 23.854 8.965 9.474 1.00 0.00 C ATOM 1736 NE ARG A 116 24.480 10.250 9.095 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.968 11.170 9.942 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.877 11.003 11.254 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.575 12.250 9.472 1.00 0.00 N ATOM 0 H ARG A 116 26.537 5.786 7.609 1.00 0.00 H new ATOM 0 HA ARG A 116 23.937 5.634 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.725 6.456 8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.605 7.762 8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.330 8.721 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.596 7.530 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.947 9.161 10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.530 8.414 10.127 1.00 0.00 H new ATOM 0 HE ARG A 116 24.547 10.456 8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.432 10.167 11.632 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.252 11.711 11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.672 12.383 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.945 12.948 10.117 1.00 0.00 H new ATOM 1753 N GLY A 117 25.415 8.172 5.177 1.00 0.00 N ATOM 1754 CA GLY A 117 25.200 9.050 4.031 1.00 0.00 C ATOM 1755 C GLY A 117 25.186 8.282 2.717 1.00 0.00 C ATOM 1756 O GLY A 117 24.303 8.494 1.888 1.00 0.00 O ATOM 0 H GLY A 117 26.271 8.354 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.254 9.578 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.985 9.805 4.001 1.00 0.00 H new ATOM 1760 N GLN A 118 26.102 7.338 2.511 1.00 0.00 N ATOM 1761 CA GLN A 118 26.111 6.582 1.265 1.00 0.00 C ATOM 1762 C GLN A 118 24.885 5.672 1.155 1.00 0.00 C ATOM 1763 O GLN A 118 24.308 5.530 0.076 1.00 0.00 O ATOM 1764 CB GLN A 118 27.430 5.825 1.105 1.00 0.00 C ATOM 1765 CG GLN A 118 28.596 6.828 1.071 1.00 0.00 C ATOM 1766 CD GLN A 118 29.748 6.353 0.187 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.822 6.704 -0.989 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.667 5.551 0.701 1.00 0.00 N ATOM 0 H GLN A 118 26.832 7.083 3.176 1.00 0.00 H new ATOM 0 HA GLN A 118 26.043 7.282 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.562 5.125 1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.415 5.237 0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.234 7.789 0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.962 6.989 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.603 5.261 1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.439 5.223 0.121 1.00 0.00 H new ATOM 1777 N VAL A 119 24.424 5.136 2.283 1.00 0.00 N ATOM 1778 CA VAL A 119 23.157 4.418 2.357 1.00 0.00 C ATOM 1779 C VAL A 119 22.017 5.375 1.981 1.00 0.00 C ATOM 1780 O VAL A 119 21.140 4.974 1.225 1.00 0.00 O ATOM 1781 CB VAL A 119 22.976 3.809 3.767 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.569 3.258 4.010 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.956 2.639 3.978 1.00 0.00 C ATOM 0 H VAL A 119 24.921 5.188 3.172 1.00 0.00 H new ATOM 0 HA VAL A 119 23.146 3.589 1.650 1.00 0.00 H new ATOM 0 HB VAL A 119 23.164 4.628 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.509 2.845 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.840 4.061 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.355 2.474 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.815 2.222 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.767 1.867 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.980 2.999 3.876 1.00 0.00 H new ATOM 1793 N LYS A 120 22.016 6.632 2.447 1.00 0.00 N ATOM 1794 CA LYS A 120 20.908 7.564 2.224 1.00 0.00 C ATOM 1795 C LYS A 120 20.660 7.740 0.735 1.00 0.00 C ATOM 1796 O LYS A 120 19.511 7.695 0.304 1.00 0.00 O ATOM 1797 CB LYS A 120 21.114 8.876 3.009 1.00 0.00 C ATOM 1798 CG LYS A 120 21.578 10.135 2.256 1.00 0.00 C ATOM 1799 CD LYS A 120 20.520 10.905 1.437 1.00 0.00 C ATOM 1800 CE LYS A 120 19.222 11.181 2.214 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.427 12.275 1.594 1.00 0.00 N ATOM 0 H LYS A 120 22.784 7.028 2.989 1.00 0.00 H new ATOM 0 HA LYS A 120 19.986 7.145 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 120 20.171 9.116 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.842 8.677 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.007 10.824 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 120 22.382 9.845 1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.946 11.853 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.282 10.335 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.621 10.272 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 120 19.464 11.446 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.728 12.627 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 19.061 13.051 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 17.935 11.913 0.752 1.00 0.00 H new ATOM 1815 N GLU A 121 21.724 7.888 -0.052 1.00 0.00 N ATOM 1816 CA GLU A 121 21.596 8.046 -1.490 1.00 0.00 C ATOM 1817 C GLU A 121 21.051 6.764 -2.110 1.00 0.00 C ATOM 1818 O GLU A 121 20.164 6.840 -2.958 1.00 0.00 O ATOM 1819 CB GLU A 121 22.959 8.384 -2.114 1.00 0.00 C ATOM 1820 CG GLU A 121 23.451 9.804 -1.813 1.00 0.00 C ATOM 1821 CD GLU A 121 22.564 10.874 -2.476 1.00 0.00 C ATOM 1822 OE1 GLU A 121 22.715 11.117 -3.698 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.714 11.478 -1.784 1.00 0.00 O ATOM 0 H GLU A 121 22.685 7.901 0.288 1.00 0.00 H new ATOM 0 HA GLU A 121 20.904 8.864 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.699 7.670 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.894 8.255 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.465 9.962 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 121 24.477 9.915 -2.165 1.00 0.00 H new ATOM 1830 N ARG A 122 21.542 5.586 -1.708 1.00 0.00 N ATOM 1831 CA ARG A 122 21.051 4.328 -2.274 1.00 0.00 C ATOM 1832 C ARG A 122 19.587 4.105 -1.917 1.00 0.00 C ATOM 1833 O ARG A 122 18.797 3.775 -2.800 1.00 0.00 O ATOM 1834 CB ARG A 122 21.935 3.154 -1.855 1.00 0.00 C ATOM 1835 CG ARG A 122 23.326 3.262 -2.508 1.00 0.00 C ATOM 1836 CD ARG A 122 23.912 1.873 -2.748 1.00 0.00 C ATOM 1837 NE ARG A 122 25.170 1.949 -3.520 1.00 0.00 N ATOM 1838 CZ ARG A 122 25.520 1.207 -4.584 1.00 0.00 C ATOM 1839 NH1 ARG A 122 24.684 0.299 -5.087 1.00 0.00 N ATOM 1840 NH2 ARG A 122 26.714 1.380 -5.140 1.00 0.00 N ATOM 0 H ARG A 122 22.270 5.479 -1.002 1.00 0.00 H new ATOM 0 HA ARG A 122 21.108 4.395 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 122 22.037 3.138 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.463 2.215 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.250 3.800 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.992 3.838 -1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 122 24.098 1.384 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 122 23.189 1.259 -3.285 1.00 0.00 H new ATOM 0 HE ARG A 122 25.850 2.644 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 122 23.766 0.161 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.962 -0.258 -5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.359 2.073 -4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 122 26.986 0.820 -5.948 1.00 0.00 H new ATOM 1854 N VAL A 123 19.190 4.379 -0.675 1.00 0.00 N ATOM 1855 CA VAL A 123 17.808 4.324 -0.249 1.00 0.00 C ATOM 1856 C VAL A 123 16.981 5.243 -1.128 1.00 0.00 C ATOM 1857 O VAL A 123 16.000 4.817 -1.734 1.00 0.00 O ATOM 1858 CB VAL A 123 17.753 4.700 1.241 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.320 4.891 1.701 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.360 3.607 2.128 1.00 0.00 C ATOM 0 H VAL A 123 19.835 4.648 0.068 1.00 0.00 H new ATOM 0 HA VAL A 123 17.387 3.324 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 123 18.323 5.624 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.310 5.156 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.855 5.689 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.764 3.965 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 123 18.301 3.912 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.807 2.678 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.403 3.453 1.853 1.00 0.00 H new ATOM 1870 N GLU A 124 17.394 6.494 -1.259 1.00 0.00 N ATOM 1871 CA GLU A 124 16.627 7.475 -1.993 1.00 0.00 C ATOM 1872 C GLU A 124 16.534 7.123 -3.478 1.00 0.00 C ATOM 1873 O GLU A 124 15.500 7.352 -4.094 1.00 0.00 O ATOM 1874 CB GLU A 124 17.235 8.832 -1.701 1.00 0.00 C ATOM 1875 CG GLU A 124 16.426 9.960 -2.330 1.00 0.00 C ATOM 1876 CD GLU A 124 16.978 11.348 -1.962 1.00 0.00 C ATOM 1877 OE1 GLU A 124 17.158 11.632 -0.753 1.00 0.00 O ATOM 1878 OE2 GLU A 124 17.216 12.168 -2.881 1.00 0.00 O ATOM 0 H GLU A 124 18.263 6.851 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 124 15.586 7.491 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.290 8.981 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.257 8.862 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.429 9.846 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.388 9.886 -2.004 1.00 0.00 H new ATOM 1885 N ASN A 125 17.564 6.500 -4.050 1.00 0.00 N ATOM 1886 CA ASN A 125 17.537 5.981 -5.412 1.00 0.00 C ATOM 1887 C ASN A 125 16.487 4.889 -5.563 1.00 0.00 C ATOM 1888 O ASN A 125 15.706 4.918 -6.508 1.00 0.00 O ATOM 1889 CB ASN A 125 18.900 5.425 -5.833 1.00 0.00 C ATOM 1890 CG ASN A 125 19.769 6.484 -6.500 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.813 6.588 -7.725 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.462 7.296 -5.716 1.00 0.00 N ATOM 0 H ASN A 125 18.451 6.341 -3.572 1.00 0.00 H new ATOM 0 HA ASN A 125 17.283 6.820 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.417 5.031 -4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.755 4.591 -6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 125 21.046 8.025 -6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.411 7.193 -4.703 1.00 0.00 H new ATOM 1899 N LEU A 126 16.441 3.935 -4.631 1.00 0.00 N ATOM 1900 CA LEU A 126 15.417 2.886 -4.618 1.00 0.00 C ATOM 1901 C LEU A 126 14.036 3.507 -4.558 1.00 0.00 C ATOM 1902 O LEU A 126 13.177 3.156 -5.360 1.00 0.00 O ATOM 1903 CB LEU A 126 15.711 1.891 -3.478 1.00 0.00 C ATOM 1904 CG LEU A 126 14.558 1.290 -2.645 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.845 -0.185 -2.402 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.388 1.949 -1.276 1.00 0.00 C ATOM 0 H LEU A 126 17.111 3.867 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 126 15.444 2.310 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.262 1.057 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.385 2.390 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 126 13.645 1.455 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.037 -0.621 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.919 -0.704 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.785 -0.288 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.561 1.478 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.305 1.830 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.177 3.010 -1.407 1.00 0.00 H new ATOM 1918 N ILE A 127 13.857 4.471 -3.672 1.00 0.00 N ATOM 1919 CA ILE A 127 12.620 5.228 -3.533 1.00 0.00 C ATOM 1920 C ILE A 127 12.280 5.930 -4.846 1.00 0.00 C ATOM 1921 O ILE A 127 11.127 5.896 -5.254 1.00 0.00 O ATOM 1922 CB ILE A 127 12.820 6.181 -2.345 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.457 5.392 -1.073 1.00 0.00 C ATOM 1924 CG2 ILE A 127 12.042 7.498 -2.386 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.438 5.697 0.046 1.00 0.00 C ATOM 0 H ILE A 127 14.582 4.757 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 127 11.760 4.591 -3.326 1.00 0.00 H new ATOM 0 HB ILE A 127 13.860 6.505 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.446 5.648 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.463 4.323 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.268 8.082 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.330 8.063 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.973 7.288 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.164 5.130 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.444 5.418 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.411 6.763 0.273 1.00 0.00 H new ATOM 1937 N ALA A 128 13.255 6.517 -5.542 1.00 0.00 N ATOM 1938 CA ALA A 128 13.014 7.192 -6.809 1.00 0.00 C ATOM 1939 C ALA A 128 12.441 6.233 -7.861 1.00 0.00 C ATOM 1940 O ALA A 128 11.695 6.674 -8.742 1.00 0.00 O ATOM 1941 CB ALA A 128 14.293 7.876 -7.306 1.00 0.00 C ATOM 0 H ALA A 128 14.229 6.536 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 128 12.262 7.963 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 128 14.094 8.375 -8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.622 8.611 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 128 15.074 7.129 -7.447 1.00 0.00 H new ATOM 1947 N LYS A 129 12.760 4.933 -7.784 1.00 0.00 N ATOM 1948 CA LYS A 129 12.203 3.934 -8.681 1.00 0.00 C ATOM 1949 C LYS A 129 10.753 3.597 -8.328 1.00 0.00 C ATOM 1950 O LYS A 129 9.938 3.436 -9.238 1.00 0.00 O ATOM 1951 CB LYS A 129 13.040 2.647 -8.643 1.00 0.00 C ATOM 1952 CG LYS A 129 14.495 2.858 -9.054 1.00 0.00 C ATOM 1953 CD LYS A 129 15.265 1.569 -8.772 1.00 0.00 C ATOM 1954 CE LYS A 129 16.772 1.762 -8.958 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.177 1.893 -10.388 1.00 0.00 N ATOM 0 H LYS A 129 13.411 4.554 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 129 12.225 4.360 -9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 129 13.011 2.233 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.587 1.908 -9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.557 3.114 -10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.930 3.689 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.063 1.239 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.913 0.781 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.087 2.653 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.297 0.916 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.207 2.021 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.905 1.033 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.701 2.716 -10.810 1.00 0.00 H new ATOM 1969 N ILE A 130 10.426 3.482 -7.035 1.00 0.00 N ATOM 1970 CA ILE A 130 9.154 2.940 -6.580 1.00 0.00 C ATOM 1971 C ILE A 130 8.103 3.955 -6.125 1.00 0.00 C ATOM 1972 O ILE A 130 6.910 3.703 -6.311 1.00 0.00 O ATOM 1973 CB ILE A 130 9.403 1.870 -5.496 1.00 0.00 C ATOM 1974 CG1 ILE A 130 10.169 2.329 -4.240 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.966 0.600 -6.164 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.683 1.181 -3.355 1.00 0.00 C ATOM 0 H ILE A 130 11.045 3.766 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 130 8.704 2.497 -7.468 1.00 0.00 H new ATOM 0 HB ILE A 130 8.434 1.639 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.017 2.941 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.516 2.967 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.145 -0.162 -5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.249 0.224 -6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.903 0.838 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.210 1.593 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.840 0.581 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.364 0.554 -3.931 1.00 0.00 H new ATOM 1988 N SER A 131 8.500 5.045 -5.490 1.00 0.00 N ATOM 1989 CA SER A 131 7.611 5.979 -4.833 1.00 0.00 C ATOM 1990 C SER A 131 7.158 7.096 -5.787 1.00 0.00 C ATOM 1991 O SER A 131 7.482 7.065 -6.999 1.00 0.00 O ATOM 1992 CB SER A 131 8.341 6.538 -3.613 1.00 0.00 C ATOM 1993 OG SER A 131 8.797 5.464 -2.789 1.00 0.00 O ATOM 1994 OXT SER A 131 6.457 8.021 -5.312 1.00 0.00 O ATOM 0 H SER A 131 9.482 5.310 -5.417 1.00 0.00 H new ATOM 0 HA SER A 131 6.701 5.469 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.186 7.149 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.675 7.187 -3.045 1.00 0.00 H new ATOM 0 HG SER A 131 9.266 5.827 -2.009 1.00 0.00 H new TER 2000 SER A 131