USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 976 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 -36:sc= 0.173 USER MOD Set 1.2: A 93 GLN : amide:sc= 1.03 K(o=1.2,f=-0.02) USER MOD Set 2.1: A 5 MET CE :methyl 165:sc= -0.239 (180deg=-0.993) USER MOD Set 2.2: A 35 CYS SG : rot -94:sc= 0.569 USER MOD Set 2.3: A 69 ASN : amide:sc= 0.614 K(o=1.2,f=-0.13) USER MOD Set 2.4: A 73 TYR OH : rot -115:sc= 0.289 USER MOD Set 3.1: A 43 HIS : no HD1:sc= 0.149 K(o=0.15,f=-5.3!) USER MOD Set 3.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 29 LYS NZ :NH3+ 160:sc= 0.736 (180deg=0) USER MOD Set 4.2: A 131 SER OG : rot -116:sc= 0.681 USER MOD Set 5.1: A 16 GLN : amide:sc= 2.22 K(o=5.4,f=-4.5) USER MOD Set 5.2: A 23 LYS NZ :NH3+ 159:sc= 1.61 (180deg=1.16) USER MOD Set 5.3: A 60 GLN : amide:sc= 1.61 K(o=5.4,f=-1.7!) USER MOD Set 6.1: A 12 SER OG : rot 160:sc= 0.334 USER MOD Set 6.2: A 13 CYS SG : rot -67:sc= 0.271 USER MOD Set 7.1: A 11 ASN : amide:sc= 0.687 K(o=1.9,f=-4.6!) USER MOD Set 7.2: A 15 SER OG : rot -56:sc= 0.686 USER MOD Set 7.3: A 34 SER OG : rot -170:sc= 0.576 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0436 (180deg=-0.446) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.28 (180deg=0.758) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.13) USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= 0.971 (180deg=0.723) USER MOD Single : A 8 CYS SG : rot 169:sc= 0.126 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.18) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 90:sc= 0.929 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 49 MET CE :methyl 161:sc= -1.17 (180deg=-1.76!) USER MOD Single : A 50 MET CE :methyl -137:sc= -0.312 (180deg=-4.1!) USER MOD Single : A 58 SER OG : rot -55:sc= 1.16 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00981 USER MOD Single : A 62 SER OG : rot -100:sc= 0.357 USER MOD Single : A 67 ASN : amide:sc= 0.661 K(o=0.66,f=-0.2) USER MOD Single : A 78 SER OG : 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= 1.16 K(o=1.2,f=-0.8) USER MOD Single : A 107 GLN : amide:sc= 0.348 K(o=0.35,f=-0.74) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0531 USER MOD Single : A 114 THR OG1 : rot 75:sc= 1.11 USER MOD Single : A 118 GLN : amide:sc= 0.921 K(o=0.92,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -157:sc= 1.23 (180deg=1.08) USER MOD Single : A 125 ASN : amide:sc= 0.921 K(o=0.92,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.172 -0.071 1.567 1.00 0.00 N ATOM 2 CA MET A 1 2.597 0.080 0.147 1.00 0.00 C ATOM 3 C MET A 1 2.597 1.555 -0.272 1.00 0.00 C ATOM 4 O MET A 1 1.557 2.205 -0.193 1.00 0.00 O ATOM 5 CB MET A 1 1.734 -0.771 -0.812 1.00 0.00 C ATOM 6 CG MET A 1 2.313 -0.805 -2.236 1.00 0.00 C ATOM 7 SD MET A 1 1.363 -1.864 -3.362 1.00 0.00 S ATOM 8 CE MET A 1 2.576 -2.069 -4.692 1.00 0.00 C ATOM 0 H1 MET A 1 1.854 -1.047 1.732 1.00 0.00 H new ATOM 0 H2 MET A 1 2.974 0.143 2.194 1.00 0.00 H new ATOM 0 H3 MET A 1 1.391 0.586 1.767 1.00 0.00 H new ATOM 0 HA MET A 1 3.618 -0.295 0.075 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.661 -1.788 -0.427 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.722 -0.368 -0.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.340 0.209 -2.636 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.343 -1.159 -2.195 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.066 -2.378 -5.605 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.089 -1.123 -4.865 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.303 -2.830 -4.407 1.00 0.00 H new ATOM 18 N LYS A 2 3.738 2.072 -0.752 1.00 0.00 N ATOM 19 CA LYS A 2 3.881 3.428 -1.350 1.00 0.00 C ATOM 20 C LYS A 2 4.595 3.380 -2.709 1.00 0.00 C ATOM 21 O LYS A 2 5.133 2.343 -3.091 1.00 0.00 O ATOM 22 CB LYS A 2 4.573 4.365 -0.334 1.00 0.00 C ATOM 23 CG LYS A 2 3.633 4.694 0.839 1.00 0.00 C ATOM 24 CD LYS A 2 4.238 5.673 1.851 1.00 0.00 C ATOM 25 CE LYS A 2 3.196 5.980 2.937 1.00 0.00 C ATOM 26 NZ LYS A 2 3.760 6.829 4.021 1.00 0.00 N ATOM 0 H LYS A 2 4.616 1.553 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 2 2.892 3.835 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.480 3.892 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.877 5.286 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.708 5.116 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.369 3.770 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.134 5.244 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.541 6.592 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.341 6.485 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.828 5.046 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.000 7.393 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.194 6.223 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.481 7.465 3.624 1.00 0.00 H new ATOM 40 N LYS A 3 4.567 4.480 -3.468 1.00 0.00 N ATOM 41 CA LYS A 3 5.146 4.580 -4.822 1.00 0.00 C ATOM 42 C LYS A 3 6.427 5.411 -4.817 1.00 0.00 C ATOM 43 O LYS A 3 6.496 6.447 -4.159 1.00 0.00 O ATOM 44 CB LYS A 3 4.123 5.110 -5.854 1.00 0.00 C ATOM 45 CG LYS A 3 2.892 4.203 -6.049 1.00 0.00 C ATOM 46 CD LYS A 3 1.740 4.362 -5.040 1.00 0.00 C ATOM 47 CE LYS A 3 1.148 5.777 -5.078 1.00 0.00 C ATOM 48 NZ LYS A 3 0.365 6.096 -3.856 1.00 0.00 N ATOM 0 H LYS A 3 4.132 5.348 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 3 5.411 3.570 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.786 6.098 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.624 5.234 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.494 4.382 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.227 3.166 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.959 3.634 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.103 4.146 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.954 6.502 -5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.506 5.876 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.217 6.941 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.252 5.293 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.015 6.278 -3.065 1.00 0.00 H new ATOM 62 N VAL A 4 7.424 4.975 -5.584 1.00 0.00 N ATOM 63 CA VAL A 4 8.724 5.663 -5.735 1.00 0.00 C ATOM 64 C VAL A 4 9.000 5.930 -7.216 1.00 0.00 C ATOM 65 O VAL A 4 8.731 5.084 -8.065 1.00 0.00 O ATOM 66 CB VAL A 4 9.887 4.914 -5.045 1.00 0.00 C ATOM 67 CG1 VAL A 4 11.163 5.767 -5.003 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.547 4.482 -3.610 1.00 0.00 C ATOM 0 H VAL A 4 7.359 4.118 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 4 8.658 6.620 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 4 10.054 4.023 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.959 5.208 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.469 6.015 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.969 6.685 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.400 3.961 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.315 5.362 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.684 3.816 -3.625 1.00 0.00 H new ATOM 78 N MET A 5 9.543 7.100 -7.532 1.00 0.00 N ATOM 79 CA MET A 5 9.879 7.501 -8.899 1.00 0.00 C ATOM 80 C MET A 5 11.284 8.088 -8.945 1.00 0.00 C ATOM 81 O MET A 5 11.660 8.897 -8.097 1.00 0.00 O ATOM 82 CB MET A 5 8.808 8.467 -9.432 1.00 0.00 C ATOM 83 CG MET A 5 9.185 9.176 -10.741 1.00 0.00 C ATOM 84 SD MET A 5 9.505 8.117 -12.177 1.00 0.00 S ATOM 85 CE MET A 5 8.077 8.517 -13.217 1.00 0.00 C ATOM 0 H MET A 5 9.767 7.811 -6.836 1.00 0.00 H new ATOM 0 HA MET A 5 9.883 6.630 -9.555 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.882 7.913 -9.587 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.605 9.220 -8.671 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.381 9.865 -10.999 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.074 9.779 -10.558 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.255 8.162 -14.232 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.187 8.033 -12.815 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.928 9.597 -13.231 1.00 0.00 H new ATOM 95 N PHE A 6 12.047 7.687 -9.957 1.00 0.00 N ATOM 96 CA PHE A 6 13.442 8.088 -10.148 1.00 0.00 C ATOM 97 C PHE A 6 13.584 9.057 -11.327 1.00 0.00 C ATOM 98 O PHE A 6 13.082 8.779 -12.412 1.00 0.00 O ATOM 99 CB PHE A 6 14.306 6.826 -10.316 1.00 0.00 C ATOM 100 CG PHE A 6 14.068 5.781 -9.241 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.629 5.923 -7.958 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.233 4.684 -9.514 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.314 5.008 -6.937 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.900 3.781 -8.488 1.00 0.00 C ATOM 105 CZ PHE A 6 13.428 3.949 -7.195 1.00 0.00 C ATOM 0 H PHE A 6 11.707 7.059 -10.686 1.00 0.00 H new ATOM 0 HA PHE A 6 13.793 8.630 -9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.104 6.384 -11.292 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.358 7.112 -10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.306 6.740 -7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.847 4.534 -10.511 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.753 5.120 -5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.236 2.955 -8.694 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.153 3.267 -6.404 1.00 0.00 H new ATOM 115 N VAL A 7 14.296 10.167 -11.124 1.00 0.00 N ATOM 116 CA VAL A 7 14.687 11.156 -12.142 1.00 0.00 C ATOM 117 C VAL A 7 16.192 11.067 -12.405 1.00 0.00 C ATOM 118 O VAL A 7 16.989 11.100 -11.477 1.00 0.00 O ATOM 119 CB VAL A 7 14.224 12.588 -11.744 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.172 13.717 -12.175 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.872 12.899 -12.396 1.00 0.00 C ATOM 0 H VAL A 7 14.636 10.418 -10.196 1.00 0.00 H new ATOM 0 HA VAL A 7 14.179 10.927 -13.079 1.00 0.00 H new ATOM 0 HB VAL A 7 14.187 12.568 -10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.765 14.676 -11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.150 13.566 -11.717 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.275 13.712 -13.260 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.554 13.903 -12.113 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.969 12.841 -13.480 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.130 12.175 -12.059 1.00 0.00 H new ATOM 131 N CYS A 8 16.595 11.008 -13.673 1.00 0.00 N ATOM 132 CA CYS A 8 17.989 11.136 -14.131 1.00 0.00 C ATOM 133 C CYS A 8 18.061 12.207 -15.241 1.00 0.00 C ATOM 134 O CYS A 8 17.026 12.612 -15.762 1.00 0.00 O ATOM 135 CB CYS A 8 18.462 9.717 -14.508 1.00 0.00 C ATOM 136 SG CYS A 8 20.106 9.662 -15.295 1.00 0.00 S ATOM 0 H CYS A 8 15.941 10.865 -14.442 1.00 0.00 H new ATOM 0 HA CYS A 8 18.680 11.501 -13.371 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.481 9.102 -13.609 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.733 9.271 -15.184 1.00 0.00 H new ATOM 0 HG CYS A 8 20.516 8.430 -15.359 1.00 0.00 H new ATOM 142 N LYS A 9 19.251 12.687 -15.627 1.00 0.00 N ATOM 143 CA LYS A 9 19.378 13.818 -16.584 1.00 0.00 C ATOM 144 C LYS A 9 18.876 13.451 -17.993 1.00 0.00 C ATOM 145 O LYS A 9 18.109 14.206 -18.565 1.00 0.00 O ATOM 146 CB LYS A 9 20.823 14.388 -16.534 1.00 0.00 C ATOM 147 CG LYS A 9 20.898 15.930 -16.574 1.00 0.00 C ATOM 148 CD LYS A 9 20.566 16.615 -17.912 1.00 0.00 C ATOM 149 CE LYS A 9 21.578 16.274 -19.020 1.00 0.00 C ATOM 150 NZ LYS A 9 21.421 17.167 -20.204 1.00 0.00 N ATOM 0 H LYS A 9 20.143 12.317 -15.298 1.00 0.00 H new ATOM 0 HA LYS A 9 18.715 14.627 -16.278 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.309 14.035 -15.624 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.389 13.986 -17.374 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.219 16.321 -15.816 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.906 16.227 -16.283 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.568 16.315 -18.232 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.542 17.695 -17.767 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.591 16.364 -18.628 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.446 15.236 -19.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.228 17.036 -20.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.540 16.931 -20.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.386 18.158 -19.889 1.00 0.00 H new ATOM 164 N ARG A 10 19.230 12.253 -18.494 1.00 0.00 N ATOM 165 CA ARG A 10 18.741 11.689 -19.790 1.00 0.00 C ATOM 166 C ARG A 10 18.048 10.313 -19.726 1.00 0.00 C ATOM 167 O ARG A 10 17.812 9.685 -20.750 1.00 0.00 O ATOM 168 CB ARG A 10 19.816 11.825 -20.892 1.00 0.00 C ATOM 169 CG ARG A 10 20.979 10.810 -20.926 1.00 0.00 C ATOM 170 CD ARG A 10 21.964 10.937 -19.758 1.00 0.00 C ATOM 171 NE ARG A 10 23.245 10.262 -20.051 1.00 0.00 N ATOM 172 CZ ARG A 10 24.288 10.181 -19.242 1.00 0.00 C ATOM 173 NH1 ARG A 10 24.296 10.725 -18.065 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.355 9.546 -19.595 1.00 0.00 N ATOM 0 H ARG A 10 19.875 11.629 -18.009 1.00 0.00 H new ATOM 0 HA ARG A 10 17.898 12.318 -20.077 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.309 11.778 -21.856 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.250 12.821 -20.809 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.565 9.802 -20.929 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.525 10.933 -21.861 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.147 11.991 -19.549 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.522 10.506 -18.860 1.00 0.00 H new ATOM 0 HE ARG A 10 23.333 9.816 -20.964 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.478 11.237 -17.734 1.00 0.00 H new ATOM 0 HH12 ARG A 10 25.120 10.641 -17.470 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.402 9.097 -20.510 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.151 9.493 -18.959 1.00 0.00 H new ATOM 188 N ASN A 11 17.771 9.831 -18.511 1.00 0.00 N ATOM 189 CA ASN A 11 17.101 8.555 -18.170 1.00 0.00 C ATOM 190 C ASN A 11 17.644 7.293 -18.866 1.00 0.00 C ATOM 191 O ASN A 11 16.917 6.333 -19.113 1.00 0.00 O ATOM 192 CB ASN A 11 15.580 8.785 -18.236 1.00 0.00 C ATOM 193 CG ASN A 11 14.705 7.656 -17.720 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.725 7.301 -18.346 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.967 7.097 -16.562 1.00 0.00 N ATOM 0 H ASN A 11 18.024 10.354 -17.673 1.00 0.00 H new ATOM 0 HA ASN A 11 17.359 8.285 -17.146 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.345 9.686 -17.669 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.309 8.981 -19.273 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.351 6.372 -16.195 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.787 7.388 -16.029 1.00 0.00 H new ATOM 202 N SER A 12 18.949 7.281 -19.139 1.00 0.00 N ATOM 203 CA SER A 12 19.684 6.137 -19.696 1.00 0.00 C ATOM 204 C SER A 12 20.228 5.192 -18.625 1.00 0.00 C ATOM 205 O SER A 12 20.233 3.981 -18.813 1.00 0.00 O ATOM 206 CB SER A 12 20.847 6.705 -20.512 1.00 0.00 C ATOM 207 OG SER A 12 21.544 7.607 -19.662 1.00 0.00 O ATOM 0 H SER A 12 19.546 8.092 -18.974 1.00 0.00 H new ATOM 0 HA SER A 12 18.999 5.546 -20.304 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.507 5.907 -20.852 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.481 7.217 -21.402 1.00 0.00 H new ATOM 0 HG SER A 12 22.451 7.747 -20.007 1.00 0.00 H new ATOM 213 N CYS A 13 20.684 5.762 -17.504 1.00 0.00 N ATOM 214 CA CYS A 13 21.438 5.097 -16.435 1.00 0.00 C ATOM 215 C CYS A 13 20.969 5.571 -15.046 1.00 0.00 C ATOM 216 O CYS A 13 20.093 6.428 -14.945 1.00 0.00 O ATOM 217 CB CYS A 13 22.938 5.347 -16.730 1.00 0.00 C ATOM 218 SG CYS A 13 23.318 7.125 -16.863 1.00 0.00 S ATOM 0 H CYS A 13 20.529 6.751 -17.308 1.00 0.00 H new ATOM 0 HA CYS A 13 21.263 4.021 -16.415 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.542 4.905 -15.938 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.214 4.846 -17.658 1.00 0.00 H new ATOM 0 HG CYS A 13 22.735 7.616 -17.916 1.00 0.00 H new ATOM 224 N ARG A 14 21.520 5.009 -13.962 1.00 0.00 N ATOM 225 CA ARG A 14 21.106 5.197 -12.543 1.00 0.00 C ATOM 226 C ARG A 14 19.633 4.867 -12.280 1.00 0.00 C ATOM 227 O ARG A 14 19.317 3.776 -11.843 1.00 0.00 O ATOM 228 CB ARG A 14 21.534 6.587 -12.006 1.00 0.00 C ATOM 229 CG ARG A 14 22.996 6.963 -12.293 1.00 0.00 C ATOM 230 CD ARG A 14 23.375 8.222 -11.496 1.00 0.00 C ATOM 231 NE ARG A 14 24.572 8.877 -12.057 1.00 0.00 N ATOM 232 CZ ARG A 14 24.613 9.852 -12.951 1.00 0.00 C ATOM 233 NH1 ARG A 14 23.558 10.454 -13.418 1.00 0.00 N ATOM 234 NH2 ARG A 14 25.761 10.235 -13.406 1.00 0.00 N ATOM 0 H ARG A 14 22.313 4.373 -14.044 1.00 0.00 H new ATOM 0 HA ARG A 14 21.652 4.454 -11.961 1.00 0.00 H new ATOM 0 HB2 ARG A 14 20.885 7.346 -12.443 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.372 6.611 -10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.654 6.137 -12.021 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.133 7.142 -13.360 1.00 0.00 H new ATOM 0 HD2 ARG A 14 22.540 8.922 -11.501 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.560 7.954 -10.456 1.00 0.00 H new ATOM 0 HE ARG A 14 25.472 8.539 -11.716 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.630 10.181 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.659 11.199 -14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.616 9.787 -13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 14 25.812 10.985 -14.095 1.00 0.00 H new ATOM 248 N SER A 15 18.730 5.783 -12.627 1.00 0.00 N ATOM 249 CA SER A 15 17.251 5.685 -12.506 1.00 0.00 C ATOM 250 C SER A 15 16.673 4.349 -12.992 1.00 0.00 C ATOM 251 O SER A 15 15.886 3.711 -12.306 1.00 0.00 O ATOM 252 CB SER A 15 16.633 6.845 -13.302 1.00 0.00 C ATOM 253 OG SER A 15 17.088 6.806 -14.657 1.00 0.00 O ATOM 0 H SER A 15 19.016 6.676 -13.028 1.00 0.00 H new ATOM 0 HA SER A 15 17.002 5.743 -11.446 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.545 6.778 -13.273 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.906 7.796 -12.845 1.00 0.00 H new ATOM 0 HG SER A 15 18.068 6.829 -14.674 1.00 0.00 H new ATOM 259 N GLN A 16 17.128 3.876 -14.157 1.00 0.00 N ATOM 260 CA GLN A 16 16.677 2.600 -14.756 1.00 0.00 C ATOM 261 C GLN A 16 17.094 1.384 -13.910 1.00 0.00 C ATOM 262 O GLN A 16 16.324 0.437 -13.765 1.00 0.00 O ATOM 263 CB GLN A 16 17.247 2.501 -16.190 1.00 0.00 C ATOM 264 CG GLN A 16 16.780 3.621 -17.149 1.00 0.00 C ATOM 265 CD GLN A 16 15.314 3.523 -17.566 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.545 2.701 -17.091 1.00 0.00 O ATOM 267 NE2 GLN A 16 14.897 4.365 -18.475 1.00 0.00 N ATOM 0 H GLN A 16 17.824 4.365 -14.720 1.00 0.00 H new ATOM 0 HA GLN A 16 15.587 2.591 -14.787 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.336 2.518 -16.136 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.964 1.537 -16.613 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.945 4.586 -16.669 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.402 3.599 -18.044 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.542 5.050 -18.870 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.927 4.337 -18.790 1.00 0.00 H new ATOM 276 N MET A 17 18.283 1.446 -13.296 1.00 0.00 N ATOM 277 CA MET A 17 18.805 0.435 -12.356 1.00 0.00 C ATOM 278 C MET A 17 18.119 0.546 -10.988 1.00 0.00 C ATOM 279 O MET A 17 17.802 -0.472 -10.388 1.00 0.00 O ATOM 280 CB MET A 17 20.340 0.590 -12.258 1.00 0.00 C ATOM 281 CG MET A 17 21.049 0.375 -13.610 1.00 0.00 C ATOM 282 SD MET A 17 22.400 1.533 -13.959 1.00 0.00 S ATOM 283 CE MET A 17 23.717 0.832 -12.927 1.00 0.00 C ATOM 0 H MET A 17 18.930 2.221 -13.441 1.00 0.00 H new ATOM 0 HA MET A 17 18.581 -0.565 -12.727 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.577 1.586 -11.883 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.727 -0.125 -11.532 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.444 -0.640 -13.639 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.310 0.452 -14.407 1.00 0.00 H new ATOM 0 HE1 MET A 17 24.620 1.434 -13.031 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.400 0.830 -11.884 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.923 -0.190 -13.245 1.00 0.00 H new ATOM 293 N ALA A 18 17.787 1.765 -10.540 1.00 0.00 N ATOM 294 CA ALA A 18 17.034 2.029 -9.304 1.00 0.00 C ATOM 295 C ALA A 18 15.659 1.348 -9.325 1.00 0.00 C ATOM 296 O ALA A 18 15.298 0.649 -8.379 1.00 0.00 O ATOM 297 CB ALA A 18 16.915 3.547 -9.100 1.00 0.00 C ATOM 0 H ALA A 18 18.041 2.617 -11.040 1.00 0.00 H new ATOM 0 HA ALA A 18 17.575 1.602 -8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.358 3.749 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.911 3.983 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.392 3.988 -9.948 1.00 0.00 H new ATOM 303 N GLU A 19 14.949 1.445 -10.456 1.00 0.00 N ATOM 304 CA GLU A 19 13.723 0.669 -10.694 1.00 0.00 C ATOM 305 C GLU A 19 13.997 -0.841 -10.636 1.00 0.00 C ATOM 306 O GLU A 19 13.227 -1.565 -10.022 1.00 0.00 O ATOM 307 CB GLU A 19 13.090 1.072 -12.037 1.00 0.00 C ATOM 308 CG GLU A 19 11.597 0.718 -12.079 1.00 0.00 C ATOM 309 CD GLU A 19 11.045 0.649 -13.511 1.00 0.00 C ATOM 310 OE1 GLU A 19 10.861 1.713 -14.150 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.762 -0.482 -13.977 1.00 0.00 O ATOM 0 H GLU A 19 15.205 2.060 -11.229 1.00 0.00 H new ATOM 0 HA GLU A 19 13.013 0.898 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.216 2.143 -12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.609 0.567 -12.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.441 -0.242 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.035 1.461 -11.513 1.00 0.00 H new ATOM 318 N GLY A 20 15.123 -1.306 -11.187 1.00 0.00 N ATOM 319 CA GLY A 20 15.574 -2.704 -11.149 1.00 0.00 C ATOM 320 C GLY A 20 15.738 -3.286 -9.743 1.00 0.00 C ATOM 321 O GLY A 20 15.154 -4.328 -9.444 1.00 0.00 O ATOM 0 H GLY A 20 15.770 -0.699 -11.690 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.860 -3.317 -11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.528 -2.778 -11.671 1.00 0.00 H new ATOM 325 N PHE A 21 16.476 -2.626 -8.842 1.00 0.00 N ATOM 326 CA PHE A 21 16.585 -3.113 -7.452 1.00 0.00 C ATOM 327 C PHE A 21 15.224 -3.043 -6.756 1.00 0.00 C ATOM 328 O PHE A 21 14.815 -3.991 -6.098 1.00 0.00 O ATOM 329 CB PHE A 21 17.621 -2.320 -6.640 1.00 0.00 C ATOM 330 CG PHE A 21 18.894 -1.997 -7.379 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.800 -3.009 -7.741 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.157 -0.663 -7.715 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.957 -2.677 -8.469 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.294 -0.337 -8.463 1.00 0.00 C ATOM 335 CZ PHE A 21 21.187 -1.342 -8.841 1.00 0.00 C ATOM 0 H PHE A 21 16.998 -1.772 -9.039 1.00 0.00 H new ATOM 0 HA PHE A 21 16.921 -4.149 -7.501 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.164 -1.388 -6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.872 -2.889 -5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.609 -4.035 -7.462 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.481 0.116 -7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 21 21.666 -3.445 -8.741 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.480 0.688 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.061 -1.091 -9.424 1.00 0.00 H new ATOM 345 N ALA A 22 14.493 -1.944 -6.941 1.00 0.00 N ATOM 346 CA ALA A 22 13.227 -1.713 -6.244 1.00 0.00 C ATOM 347 C ALA A 22 12.114 -2.687 -6.669 1.00 0.00 C ATOM 348 O ALA A 22 11.465 -3.265 -5.805 1.00 0.00 O ATOM 349 CB ALA A 22 12.842 -0.245 -6.444 1.00 0.00 C ATOM 0 H ALA A 22 14.760 -1.191 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 22 13.359 -1.915 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.900 -0.043 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.622 0.395 -6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.729 -0.040 -7.509 1.00 0.00 H new ATOM 355 N LYS A 23 11.935 -2.959 -7.967 1.00 0.00 N ATOM 356 CA LYS A 23 10.901 -3.894 -8.470 1.00 0.00 C ATOM 357 C LYS A 23 11.130 -5.345 -8.029 1.00 0.00 C ATOM 358 O LYS A 23 10.188 -6.121 -7.914 1.00 0.00 O ATOM 359 CB LYS A 23 10.772 -3.745 -9.999 1.00 0.00 C ATOM 360 CG LYS A 23 11.934 -4.338 -10.818 1.00 0.00 C ATOM 361 CD LYS A 23 12.064 -3.729 -12.228 1.00 0.00 C ATOM 362 CE LYS A 23 10.891 -4.051 -13.162 1.00 0.00 C ATOM 363 NZ LYS A 23 10.948 -3.214 -14.396 1.00 0.00 N ATOM 0 H LYS A 23 12.500 -2.540 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 23 9.949 -3.621 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.845 -4.221 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.684 -2.685 -10.238 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.867 -4.183 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.793 -5.415 -10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.155 -2.647 -12.137 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.986 -4.089 -12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.915 -5.107 -13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.949 -3.877 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.392 -3.668 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.555 -2.272 -14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.936 -3.118 -14.705 1.00 0.00 H new ATOM 377 N THR A 24 12.390 -5.670 -7.742 1.00 0.00 N ATOM 378 CA THR A 24 12.843 -6.975 -7.218 1.00 0.00 C ATOM 379 C THR A 24 12.736 -7.062 -5.685 1.00 0.00 C ATOM 380 O THR A 24 12.066 -7.948 -5.156 1.00 0.00 O ATOM 381 CB THR A 24 14.291 -7.251 -7.654 1.00 0.00 C ATOM 382 OG1 THR A 24 14.438 -7.056 -9.043 1.00 0.00 O ATOM 383 CG2 THR A 24 14.727 -8.687 -7.362 1.00 0.00 C ATOM 0 H THR A 24 13.159 -5.012 -7.870 1.00 0.00 H new ATOM 0 HA THR A 24 12.181 -7.733 -7.637 1.00 0.00 H new ATOM 0 HB THR A 24 14.908 -6.557 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.684 -6.124 -9.218 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.757 -8.828 -7.689 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.657 -8.878 -6.291 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.078 -9.380 -7.897 1.00 0.00 H new ATOM 391 N LEU A 25 13.390 -6.143 -4.957 1.00 0.00 N ATOM 392 CA LEU A 25 13.562 -6.189 -3.489 1.00 0.00 C ATOM 393 C LEU A 25 12.345 -5.629 -2.741 1.00 0.00 C ATOM 394 O LEU A 25 12.011 -6.079 -1.646 1.00 0.00 O ATOM 395 CB LEU A 25 14.846 -5.411 -3.104 1.00 0.00 C ATOM 396 CG LEU A 25 16.122 -5.914 -3.803 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.281 -4.990 -3.451 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.493 -7.340 -3.394 1.00 0.00 C ATOM 0 H LEU A 25 13.827 -5.324 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 25 13.656 -7.233 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.705 -4.357 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.987 -5.476 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 25 15.926 -5.915 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.188 -5.341 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.054 -3.978 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.431 -4.989 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.400 -7.644 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.664 -7.377 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.680 -8.017 -3.655 1.00 0.00 H new ATOM 410 N GLY A 26 11.669 -4.656 -3.358 1.00 0.00 N ATOM 411 CA GLY A 26 10.435 -4.029 -2.890 1.00 0.00 C ATOM 412 C GLY A 26 9.159 -4.651 -3.457 1.00 0.00 C ATOM 413 O GLY A 26 8.099 -4.062 -3.278 1.00 0.00 O ATOM 0 H GLY A 26 11.987 -4.265 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.401 -4.088 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.457 -2.971 -3.152 1.00 0.00 H new ATOM 417 N ALA A 27 9.224 -5.798 -4.138 1.00 0.00 N ATOM 418 CA ALA A 27 8.052 -6.445 -4.743 1.00 0.00 C ATOM 419 C ALA A 27 6.879 -6.616 -3.747 1.00 0.00 C ATOM 420 O ALA A 27 6.984 -7.345 -2.758 1.00 0.00 O ATOM 421 CB ALA A 27 8.491 -7.800 -5.318 1.00 0.00 C ATOM 0 H ALA A 27 10.095 -6.308 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 27 7.672 -5.801 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.634 -8.297 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.261 -7.643 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.889 -8.423 -4.517 1.00 0.00 H new ATOM 427 N GLY A 28 5.772 -5.898 -3.983 1.00 0.00 N ATOM 428 CA GLY A 28 4.580 -5.866 -3.117 1.00 0.00 C ATOM 429 C GLY A 28 4.674 -4.908 -1.921 1.00 0.00 C ATOM 430 O GLY A 28 3.645 -4.491 -1.384 1.00 0.00 O ATOM 0 H GLY A 28 5.676 -5.304 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.717 -5.585 -3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.393 -6.873 -2.743 1.00 0.00 H new ATOM 434 N LYS A 29 5.890 -4.489 -1.541 1.00 0.00 N ATOM 435 CA LYS A 29 6.152 -3.412 -0.569 1.00 0.00 C ATOM 436 C LYS A 29 5.934 -2.049 -1.214 1.00 0.00 C ATOM 437 O LYS A 29 5.406 -1.143 -0.581 1.00 0.00 O ATOM 438 CB LYS A 29 7.590 -3.519 -0.022 1.00 0.00 C ATOM 439 CG LYS A 29 7.814 -4.832 0.739 1.00 0.00 C ATOM 440 CD LYS A 29 9.277 -5.075 1.150 1.00 0.00 C ATOM 441 CE LYS A 29 9.851 -4.042 2.134 1.00 0.00 C ATOM 442 NZ LYS A 29 9.173 -4.104 3.465 1.00 0.00 N ATOM 0 H LYS A 29 6.746 -4.902 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 29 5.454 -3.520 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.299 -3.452 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.791 -2.677 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.191 -4.832 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.479 -5.662 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.354 -6.065 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.895 -5.083 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.919 -4.217 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.740 -3.041 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.779 -3.661 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.266 -3.597 3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.001 -5.097 3.721 1.00 0.00 H new ATOM 456 N ILE A 30 6.330 -1.904 -2.481 1.00 0.00 N ATOM 457 CA ILE A 30 6.226 -0.664 -3.262 1.00 0.00 C ATOM 458 C ILE A 30 5.912 -0.916 -4.745 1.00 0.00 C ATOM 459 O ILE A 30 5.952 -2.046 -5.224 1.00 0.00 O ATOM 460 CB ILE A 30 7.524 0.183 -3.115 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.870 -0.505 -3.430 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.675 0.703 -1.682 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.033 -1.107 -4.824 1.00 0.00 C ATOM 0 H ILE A 30 6.746 -2.670 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 30 5.383 -0.106 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 30 7.362 0.953 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.666 0.225 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.024 -1.298 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.589 1.292 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.818 1.327 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.726 -0.140 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.022 -1.558 -4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.271 -1.870 -4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.923 -0.324 -5.574 1.00 0.00 H new ATOM 475 N ALA A 31 5.605 0.166 -5.463 1.00 0.00 N ATOM 476 CA ALA A 31 5.509 0.207 -6.928 1.00 0.00 C ATOM 477 C ALA A 31 6.451 1.309 -7.447 1.00 0.00 C ATOM 478 O ALA A 31 6.628 2.333 -6.782 1.00 0.00 O ATOM 479 CB ALA A 31 4.054 0.379 -7.379 1.00 0.00 C ATOM 0 H ALA A 31 5.410 1.068 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 31 5.831 -0.740 -7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.011 0.406 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.458 -0.458 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.656 1.311 -6.977 1.00 0.00 H new ATOM 485 N VAL A 32 7.101 1.096 -8.595 1.00 0.00 N ATOM 486 CA VAL A 32 8.184 1.958 -9.080 1.00 0.00 C ATOM 487 C VAL A 32 8.148 2.269 -10.570 1.00 0.00 C ATOM 488 O VAL A 32 7.756 1.440 -11.393 1.00 0.00 O ATOM 489 CB VAL A 32 9.546 1.347 -8.729 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.983 1.873 -7.367 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.626 -0.184 -8.778 1.00 0.00 C ATOM 0 H VAL A 32 6.890 0.316 -9.218 1.00 0.00 H new ATOM 0 HA VAL A 32 8.031 2.909 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 32 10.230 1.664 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.951 1.446 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.064 2.959 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.247 1.591 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.633 -0.504 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.912 -0.608 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.389 -0.529 -9.785 1.00 0.00 H new ATOM 501 N THR A 33 8.641 3.469 -10.889 1.00 0.00 N ATOM 502 CA THR A 33 8.754 4.007 -12.253 1.00 0.00 C ATOM 503 C THR A 33 10.088 4.749 -12.408 1.00 0.00 C ATOM 504 O THR A 33 10.609 5.299 -11.433 1.00 0.00 O ATOM 505 CB THR A 33 7.568 4.948 -12.557 1.00 0.00 C ATOM 506 OG1 THR A 33 6.343 4.356 -12.165 1.00 0.00 O ATOM 507 CG2 THR A 33 7.417 5.271 -14.045 1.00 0.00 C ATOM 0 H THR A 33 8.985 4.118 -10.181 1.00 0.00 H new ATOM 0 HA THR A 33 8.726 3.183 -12.966 1.00 0.00 H new ATOM 0 HB THR A 33 7.787 5.859 -12.000 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.605 4.969 -12.365 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.565 5.936 -14.188 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.323 5.759 -14.405 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.255 4.349 -14.603 1.00 0.00 H new ATOM 515 N SER A 34 10.652 4.785 -13.617 1.00 0.00 N ATOM 516 CA SER A 34 11.869 5.535 -13.962 1.00 0.00 C ATOM 517 C SER A 34 11.608 6.587 -15.054 1.00 0.00 C ATOM 518 O SER A 34 10.886 6.322 -16.018 1.00 0.00 O ATOM 519 CB SER A 34 12.935 4.542 -14.408 1.00 0.00 C ATOM 520 OG SER A 34 14.134 5.250 -14.640 1.00 0.00 O ATOM 0 H SER A 34 10.264 4.277 -14.412 1.00 0.00 H new ATOM 0 HA SER A 34 12.210 6.082 -13.083 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.087 3.780 -13.644 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.618 4.026 -15.314 1.00 0.00 H new ATOM 0 HG SER A 34 14.783 4.660 -15.076 1.00 0.00 H new ATOM 526 N CYS A 35 12.204 7.777 -14.910 1.00 0.00 N ATOM 527 CA CYS A 35 12.088 8.903 -15.842 1.00 0.00 C ATOM 528 C CYS A 35 13.310 9.836 -15.799 1.00 0.00 C ATOM 529 O CYS A 35 14.275 9.618 -15.064 1.00 0.00 O ATOM 530 CB CYS A 35 10.792 9.662 -15.535 1.00 0.00 C ATOM 531 SG CYS A 35 10.922 10.658 -14.030 1.00 0.00 S ATOM 0 H CYS A 35 12.802 7.989 -14.111 1.00 0.00 H new ATOM 0 HA CYS A 35 12.055 8.510 -16.858 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.544 10.309 -16.376 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.973 8.951 -15.428 1.00 0.00 H new ATOM 0 HG CYS A 35 10.467 9.979 -13.019 1.00 0.00 H new ATOM 537 N GLY A 36 13.302 10.905 -16.592 1.00 0.00 N ATOM 538 CA GLY A 36 14.297 11.973 -16.488 1.00 0.00 C ATOM 539 C GLY A 36 13.798 13.305 -17.002 1.00 0.00 C ATOM 540 O GLY A 36 12.783 13.358 -17.682 1.00 0.00 O ATOM 0 H GLY A 36 12.608 11.056 -17.324 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.596 12.082 -15.445 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.188 11.686 -17.046 1.00 0.00 H new ATOM 544 N LEU A 37 14.513 14.394 -16.718 1.00 0.00 N ATOM 545 CA LEU A 37 14.150 15.708 -17.279 1.00 0.00 C ATOM 546 C LEU A 37 14.333 15.771 -18.812 1.00 0.00 C ATOM 547 O LEU A 37 13.752 16.629 -19.477 1.00 0.00 O ATOM 548 CB LEU A 37 14.802 16.880 -16.530 1.00 0.00 C ATOM 549 CG LEU A 37 16.324 16.789 -16.314 1.00 0.00 C ATOM 550 CD1 LEU A 37 16.961 18.178 -16.289 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.624 16.129 -14.965 1.00 0.00 C ATOM 0 H LEU A 37 15.335 14.400 -16.114 1.00 0.00 H new ATOM 0 HA LEU A 37 13.080 15.827 -17.111 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.588 17.798 -17.078 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.323 16.972 -15.555 1.00 0.00 H new ATOM 0 HG LEU A 37 16.733 16.204 -17.138 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.036 18.083 -16.135 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.774 18.681 -17.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.529 18.762 -15.477 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.703 16.069 -14.821 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.184 16.722 -14.164 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.199 15.125 -14.949 1.00 0.00 H new ATOM 563 N GLU A 38 15.086 14.817 -19.362 1.00 0.00 N ATOM 564 CA GLU A 38 15.227 14.529 -20.794 1.00 0.00 C ATOM 565 C GLU A 38 15.267 13.002 -21.011 1.00 0.00 C ATOM 566 O GLU A 38 15.460 12.231 -20.065 1.00 0.00 O ATOM 567 CB GLU A 38 16.495 15.181 -21.387 1.00 0.00 C ATOM 568 CG GLU A 38 16.574 16.701 -21.203 1.00 0.00 C ATOM 569 CD GLU A 38 17.802 17.278 -21.930 1.00 0.00 C ATOM 570 OE1 GLU A 38 18.916 17.258 -21.353 1.00 0.00 O ATOM 571 OE2 GLU A 38 17.666 17.756 -23.083 1.00 0.00 O ATOM 0 H GLU A 38 15.647 14.187 -18.788 1.00 0.00 H new ATOM 0 HA GLU A 38 14.367 14.954 -21.311 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.372 14.726 -20.926 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.541 14.954 -22.452 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.666 17.166 -21.588 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.629 16.941 -20.141 1.00 0.00 H new ATOM 578 N SER A 39 15.128 12.561 -22.261 1.00 0.00 N ATOM 579 CA SER A 39 15.305 11.167 -22.700 1.00 0.00 C ATOM 580 C SER A 39 16.496 11.019 -23.664 1.00 0.00 C ATOM 581 O SER A 39 16.884 11.963 -24.360 1.00 0.00 O ATOM 582 CB SER A 39 14.006 10.643 -23.332 1.00 0.00 C ATOM 583 OG SER A 39 13.581 11.491 -24.390 1.00 0.00 O ATOM 0 H SER A 39 14.880 13.185 -23.029 1.00 0.00 H new ATOM 0 HA SER A 39 15.533 10.562 -21.822 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.162 9.633 -23.710 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.226 10.582 -22.573 1.00 0.00 H new ATOM 0 HG SER A 39 12.754 11.139 -24.780 1.00 0.00 H new ATOM 589 N SER A 40 17.089 9.822 -23.696 1.00 0.00 N ATOM 590 CA SER A 40 18.168 9.425 -24.612 1.00 0.00 C ATOM 591 C SER A 40 17.899 8.013 -25.160 1.00 0.00 C ATOM 592 O SER A 40 17.213 7.865 -26.175 1.00 0.00 O ATOM 593 CB SER A 40 19.521 9.592 -23.901 1.00 0.00 C ATOM 594 OG SER A 40 20.599 8.974 -24.586 1.00 0.00 O ATOM 0 H SER A 40 16.821 9.071 -23.060 1.00 0.00 H new ATOM 0 HA SER A 40 18.203 10.073 -25.488 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.734 10.655 -23.787 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.450 9.172 -22.898 1.00 0.00 H new ATOM 0 HG SER A 40 21.446 9.248 -24.177 1.00 0.00 H new ATOM 600 N ARG A 41 18.399 6.975 -24.473 1.00 0.00 N ATOM 601 CA ARG A 41 18.150 5.538 -24.694 1.00 0.00 C ATOM 602 C ARG A 41 18.458 4.772 -23.416 1.00 0.00 C ATOM 603 O ARG A 41 19.324 5.212 -22.668 1.00 0.00 O ATOM 604 CB ARG A 41 18.993 5.020 -25.892 1.00 0.00 C ATOM 605 CG ARG A 41 20.503 4.761 -25.680 1.00 0.00 C ATOM 606 CD ARG A 41 21.350 5.969 -25.249 1.00 0.00 C ATOM 607 NE ARG A 41 22.782 5.606 -25.151 1.00 0.00 N ATOM 608 CZ ARG A 41 23.705 6.143 -24.366 1.00 0.00 C ATOM 609 NH1 ARG A 41 23.475 7.172 -23.604 1.00 0.00 N ATOM 610 NH2 ARG A 41 24.901 5.638 -24.316 1.00 0.00 N ATOM 0 H ARG A 41 19.035 7.127 -23.690 1.00 0.00 H new ATOM 0 HA ARG A 41 17.101 5.380 -24.945 1.00 0.00 H new ATOM 0 HB2 ARG A 41 18.543 4.088 -26.235 1.00 0.00 H new ATOM 0 HB3 ARG A 41 18.892 5.741 -26.704 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.613 3.980 -24.927 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.916 4.368 -26.609 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.225 6.780 -25.967 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.998 6.339 -24.286 1.00 0.00 H new ATOM 0 HE ARG A 41 23.096 4.852 -25.761 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.550 7.602 -23.593 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.219 7.549 -23.017 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.135 4.823 -24.883 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.606 6.056 -23.710 1.00 0.00 H new ATOM 624 N VAL A 42 17.812 3.637 -23.150 1.00 0.00 N ATOM 625 CA VAL A 42 18.250 2.765 -22.041 1.00 0.00 C ATOM 626 C VAL A 42 19.682 2.304 -22.315 1.00 0.00 C ATOM 627 O VAL A 42 19.985 1.850 -23.418 1.00 0.00 O ATOM 628 CB VAL A 42 17.268 1.594 -21.776 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.854 0.182 -21.795 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.656 1.806 -20.397 1.00 0.00 C ATOM 0 H VAL A 42 17.002 3.298 -23.669 1.00 0.00 H new ATOM 0 HA VAL A 42 18.242 3.335 -21.112 1.00 0.00 H new ATOM 0 HB VAL A 42 16.562 1.628 -22.605 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.064 -0.542 -21.596 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.291 -0.017 -22.773 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.625 0.098 -21.029 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.959 0.997 -20.180 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.446 1.815 -19.646 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.125 2.758 -20.377 1.00 0.00 H new ATOM 640 N HIS A 43 20.574 2.456 -21.332 1.00 0.00 N ATOM 641 CA HIS A 43 21.981 2.117 -21.535 1.00 0.00 C ATOM 642 C HIS A 43 22.148 0.598 -21.643 1.00 0.00 C ATOM 643 O HIS A 43 21.711 -0.116 -20.739 1.00 0.00 O ATOM 644 CB HIS A 43 22.843 2.716 -20.419 1.00 0.00 C ATOM 645 CG HIS A 43 24.268 2.778 -20.860 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.125 1.688 -21.002 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.865 3.891 -21.360 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.246 2.188 -21.553 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.108 3.500 -21.793 1.00 0.00 N ATOM 0 H HIS A 43 20.349 2.807 -20.401 1.00 0.00 H new ATOM 0 HA HIS A 43 22.324 2.551 -22.474 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.487 3.715 -20.168 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.758 2.111 -19.516 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.446 4.885 -21.407 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.133 1.613 -21.772 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.807 4.105 -22.224 1.00 0.00 H new ATOM 657 N PRO A 44 22.766 0.062 -22.711 1.00 0.00 N ATOM 658 CA PRO A 44 22.747 -1.376 -22.932 1.00 0.00 C ATOM 659 C PRO A 44 23.654 -2.130 -21.942 1.00 0.00 C ATOM 660 O PRO A 44 23.383 -3.284 -21.604 1.00 0.00 O ATOM 661 CB PRO A 44 23.185 -1.552 -24.389 1.00 0.00 C ATOM 662 CG PRO A 44 24.104 -0.354 -24.631 1.00 0.00 C ATOM 663 CD PRO A 44 23.424 0.748 -23.821 1.00 0.00 C ATOM 0 HA PRO A 44 21.759 -1.803 -22.758 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.708 -2.496 -24.540 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.332 -1.548 -25.068 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.120 -0.545 -24.285 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.170 -0.099 -25.689 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.151 1.475 -23.458 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.703 1.294 -24.429 1.00 0.00 H new ATOM 671 N THR A 45 24.684 -1.466 -21.398 1.00 0.00 N ATOM 672 CA THR A 45 25.577 -2.045 -20.376 1.00 0.00 C ATOM 673 C THR A 45 24.906 -2.094 -19.003 1.00 0.00 C ATOM 674 O THR A 45 25.165 -3.016 -18.233 1.00 0.00 O ATOM 675 CB THR A 45 26.910 -1.284 -20.323 1.00 0.00 C ATOM 676 OG1 THR A 45 27.481 -1.253 -21.618 1.00 0.00 O ATOM 677 CG2 THR A 45 27.926 -1.955 -19.398 1.00 0.00 C ATOM 0 H THR A 45 24.925 -0.508 -21.654 1.00 0.00 H new ATOM 0 HA THR A 45 25.789 -3.075 -20.665 1.00 0.00 H new ATOM 0 HB THR A 45 26.691 -0.285 -19.946 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.331 -0.767 -21.589 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.851 -1.379 -19.395 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.523 -2.000 -18.386 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.129 -2.966 -19.752 1.00 0.00 H new ATOM 685 N ALA A 46 23.963 -1.191 -18.705 1.00 0.00 N ATOM 686 CA ALA A 46 23.174 -1.244 -17.468 1.00 0.00 C ATOM 687 C ALA A 46 22.443 -2.584 -17.312 1.00 0.00 C ATOM 688 O ALA A 46 22.527 -3.222 -16.270 1.00 0.00 O ATOM 689 CB ALA A 46 22.170 -0.084 -17.479 1.00 0.00 C ATOM 0 H ALA A 46 23.726 -0.406 -19.312 1.00 0.00 H new ATOM 0 HA ALA A 46 23.849 -1.152 -16.617 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.575 -0.109 -16.566 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.708 0.862 -17.536 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.512 -0.180 -18.343 1.00 0.00 H new ATOM 695 N ILE A 47 21.807 -3.063 -18.382 1.00 0.00 N ATOM 696 CA ILE A 47 21.122 -4.368 -18.417 1.00 0.00 C ATOM 697 C ILE A 47 22.106 -5.506 -18.101 1.00 0.00 C ATOM 698 O ILE A 47 21.807 -6.361 -17.271 1.00 0.00 O ATOM 699 CB ILE A 47 20.451 -4.545 -19.795 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.317 -3.511 -20.015 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.885 -5.963 -19.992 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.349 -2.927 -21.424 1.00 0.00 C ATOM 0 H ILE A 47 21.749 -2.553 -19.264 1.00 0.00 H new ATOM 0 HA ILE A 47 20.348 -4.403 -17.650 1.00 0.00 H new ATOM 0 HB ILE A 47 21.237 -4.380 -20.532 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.352 -3.987 -19.841 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.412 -2.706 -19.286 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.423 -6.037 -20.977 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.692 -6.691 -19.914 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.138 -6.166 -19.225 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.539 -2.207 -21.538 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.304 -2.428 -21.589 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.227 -3.728 -22.153 1.00 0.00 H new ATOM 714 N ALA A 48 23.312 -5.475 -18.673 1.00 0.00 N ATOM 715 CA ALA A 48 24.348 -6.482 -18.413 1.00 0.00 C ATOM 716 C ALA A 48 24.826 -6.475 -16.948 1.00 0.00 C ATOM 717 O ALA A 48 25.084 -7.521 -16.354 1.00 0.00 O ATOM 718 CB ALA A 48 25.510 -6.224 -19.373 1.00 0.00 C ATOM 0 H ALA A 48 23.600 -4.751 -19.331 1.00 0.00 H new ATOM 0 HA ALA A 48 23.928 -7.473 -18.581 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.295 -6.960 -19.200 1.00 0.00 H new ATOM 0 HB2 ALA A 48 25.157 -6.304 -20.401 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.907 -5.223 -19.203 1.00 0.00 H new ATOM 724 N MET A 49 24.896 -5.284 -16.347 1.00 0.00 N ATOM 725 CA MET A 49 25.338 -5.063 -14.967 1.00 0.00 C ATOM 726 C MET A 49 24.252 -5.415 -13.949 1.00 0.00 C ATOM 727 O MET A 49 24.574 -5.879 -12.858 1.00 0.00 O ATOM 728 CB MET A 49 25.838 -3.617 -14.826 1.00 0.00 C ATOM 729 CG MET A 49 27.020 -3.325 -15.762 1.00 0.00 C ATOM 730 SD MET A 49 28.681 -3.621 -15.098 1.00 0.00 S ATOM 731 CE MET A 49 28.820 -5.419 -15.157 1.00 0.00 C ATOM 0 H MET A 49 24.638 -4.419 -16.823 1.00 0.00 H new ATOM 0 HA MET A 49 26.165 -5.738 -14.745 1.00 0.00 H new ATOM 0 HB2 MET A 49 25.022 -2.928 -15.046 1.00 0.00 H new ATOM 0 HB3 MET A 49 26.139 -3.436 -13.794 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.900 -3.931 -16.660 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.959 -2.282 -16.071 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.871 -5.705 -15.106 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.284 -5.853 -14.313 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.389 -5.787 -16.088 1.00 0.00 H new ATOM 741 N MET A 50 22.976 -5.262 -14.308 1.00 0.00 N ATOM 742 CA MET A 50 21.840 -5.765 -13.528 1.00 0.00 C ATOM 743 C MET A 50 21.706 -7.292 -13.665 1.00 0.00 C ATOM 744 O MET A 50 21.330 -7.967 -12.708 1.00 0.00 O ATOM 745 CB MET A 50 20.551 -5.058 -13.976 1.00 0.00 C ATOM 746 CG MET A 50 20.539 -3.553 -13.671 1.00 0.00 C ATOM 747 SD MET A 50 20.789 -3.061 -11.947 1.00 0.00 S ATOM 748 CE MET A 50 19.447 -3.992 -11.175 1.00 0.00 C ATOM 0 H MET A 50 22.697 -4.778 -15.161 1.00 0.00 H new ATOM 0 HA MET A 50 22.015 -5.546 -12.475 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.420 -5.204 -15.048 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.699 -5.527 -13.484 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.314 -3.079 -14.274 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.583 -3.148 -14.004 1.00 0.00 H new ATOM 0 HE1 MET A 50 18.944 -3.363 -10.440 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.733 -4.301 -11.938 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.854 -4.874 -10.680 1.00 0.00 H new ATOM 758 N GLU A 51 22.097 -7.866 -14.806 1.00 0.00 N ATOM 759 CA GLU A 51 22.071 -9.317 -15.001 1.00 0.00 C ATOM 760 C GLU A 51 23.141 -10.062 -14.183 1.00 0.00 C ATOM 761 O GLU A 51 22.936 -11.237 -13.880 1.00 0.00 O ATOM 762 CB GLU A 51 22.173 -9.661 -16.498 1.00 0.00 C ATOM 763 CG GLU A 51 20.827 -9.551 -17.225 1.00 0.00 C ATOM 764 CD GLU A 51 19.979 -10.830 -17.038 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.386 -11.034 -15.952 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.911 -11.652 -17.986 1.00 0.00 O ATOM 0 H GLU A 51 22.437 -7.343 -15.613 1.00 0.00 H new ATOM 0 HA GLU A 51 21.111 -9.666 -14.622 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.892 -8.993 -16.972 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.559 -10.675 -16.608 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.277 -8.689 -16.847 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.999 -9.378 -18.287 1.00 0.00 H new ATOM 773 N GLU A 52 24.224 -9.405 -13.724 1.00 0.00 N ATOM 774 CA GLU A 52 25.170 -10.034 -12.774 1.00 0.00 C ATOM 775 C GLU A 52 24.491 -10.431 -11.446 1.00 0.00 C ATOM 776 O GLU A 52 24.869 -11.417 -10.808 1.00 0.00 O ATOM 777 CB GLU A 52 26.327 -9.100 -12.398 1.00 0.00 C ATOM 778 CG GLU A 52 27.145 -8.540 -13.563 1.00 0.00 C ATOM 779 CD GLU A 52 28.558 -8.145 -13.081 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.670 -7.355 -12.108 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.560 -8.626 -13.658 1.00 0.00 O ATOM 0 H GLU A 52 24.466 -8.451 -13.990 1.00 0.00 H new ATOM 0 HA GLU A 52 25.538 -10.915 -13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.921 -8.263 -11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 52 27.001 -9.640 -11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.218 -9.284 -14.356 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.641 -7.671 -13.986 1.00 0.00 H new ATOM 788 N VAL A 53 23.479 -9.654 -11.041 1.00 0.00 N ATOM 789 CA VAL A 53 22.643 -9.858 -9.842 1.00 0.00 C ATOM 790 C VAL A 53 21.277 -10.492 -10.203 1.00 0.00 C ATOM 791 O VAL A 53 20.393 -10.637 -9.361 1.00 0.00 O ATOM 792 CB VAL A 53 22.622 -8.554 -9.006 1.00 0.00 C ATOM 793 CG1 VAL A 53 22.094 -7.336 -9.777 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.890 -8.652 -7.665 1.00 0.00 C ATOM 0 H VAL A 53 23.204 -8.823 -11.564 1.00 0.00 H new ATOM 0 HA VAL A 53 23.075 -10.607 -9.178 1.00 0.00 H new ATOM 0 HB VAL A 53 23.680 -8.407 -8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.109 -6.460 -9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 53 22.726 -7.154 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 53 21.072 -7.528 -10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.932 -7.689 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.849 -8.927 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 53 22.367 -9.411 -7.045 1.00 0.00 H new ATOM 804 N GLY A 54 21.115 -10.941 -11.455 1.00 0.00 N ATOM 805 CA GLY A 54 19.946 -11.685 -11.939 1.00 0.00 C ATOM 806 C GLY A 54 18.672 -10.849 -12.126 1.00 0.00 C ATOM 807 O GLY A 54 17.573 -11.408 -12.113 1.00 0.00 O ATOM 0 H GLY A 54 21.816 -10.791 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.200 -12.150 -12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.733 -12.492 -11.238 1.00 0.00 H new ATOM 811 N ILE A 55 18.801 -9.523 -12.262 1.00 0.00 N ATOM 812 CA ILE A 55 17.683 -8.580 -12.411 1.00 0.00 C ATOM 813 C ILE A 55 17.565 -8.121 -13.873 1.00 0.00 C ATOM 814 O ILE A 55 18.548 -7.699 -14.487 1.00 0.00 O ATOM 815 CB ILE A 55 17.843 -7.394 -11.432 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.814 -7.889 -9.964 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.749 -6.337 -11.665 1.00 0.00 C ATOM 818 CD1 ILE A 55 18.027 -6.803 -8.897 1.00 0.00 C ATOM 0 H ILE A 55 19.711 -9.063 -12.272 1.00 0.00 H new ATOM 0 HA ILE A 55 16.751 -9.083 -12.154 1.00 0.00 H new ATOM 0 HB ILE A 55 18.811 -6.930 -11.621 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.854 -8.372 -9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.583 -8.652 -9.840 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.884 -5.513 -10.964 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.819 -5.960 -12.685 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.769 -6.788 -11.511 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.988 -7.254 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.000 -6.334 -9.044 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.244 -6.050 -8.983 1.00 0.00 H new ATOM 830 N ASP A 56 16.344 -8.135 -14.410 1.00 0.00 N ATOM 831 CA ASP A 56 16.047 -7.694 -15.777 1.00 0.00 C ATOM 832 C ASP A 56 15.435 -6.283 -15.799 1.00 0.00 C ATOM 833 O ASP A 56 14.394 -6.036 -15.182 1.00 0.00 O ATOM 834 CB ASP A 56 15.143 -8.727 -16.466 1.00 0.00 C ATOM 835 CG ASP A 56 14.729 -8.298 -17.884 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.519 -7.602 -18.569 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.606 -8.647 -18.314 1.00 0.00 O ATOM 0 H ASP A 56 15.521 -8.457 -13.902 1.00 0.00 H new ATOM 0 HA ASP A 56 16.981 -7.627 -16.336 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.664 -9.683 -16.517 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.249 -8.883 -15.862 1.00 0.00 H new ATOM 842 N ILE A 57 16.065 -5.371 -16.554 1.00 0.00 N ATOM 843 CA ILE A 57 15.540 -4.029 -16.881 1.00 0.00 C ATOM 844 C ILE A 57 15.395 -3.793 -18.400 1.00 0.00 C ATOM 845 O ILE A 57 15.152 -2.669 -18.830 1.00 0.00 O ATOM 846 CB ILE A 57 16.342 -2.913 -16.164 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.821 -2.875 -16.604 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.231 -3.056 -14.635 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.542 -1.574 -16.231 1.00 0.00 C ATOM 0 H ILE A 57 16.980 -5.548 -16.968 1.00 0.00 H new ATOM 0 HA ILE A 57 14.524 -3.983 -16.490 1.00 0.00 H new ATOM 0 HB ILE A 57 15.898 -1.963 -16.460 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.347 -3.715 -16.150 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.873 -3.012 -17.684 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.802 -2.262 -14.153 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.185 -2.983 -14.338 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.628 -4.024 -14.330 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.576 -1.620 -16.572 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.041 -0.731 -16.706 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.522 -1.444 -15.149 1.00 0.00 H new ATOM 861 N SER A 58 15.522 -4.830 -19.238 1.00 0.00 N ATOM 862 CA SER A 58 15.508 -4.714 -20.713 1.00 0.00 C ATOM 863 C SER A 58 14.141 -4.328 -21.301 1.00 0.00 C ATOM 864 O SER A 58 14.077 -3.809 -22.418 1.00 0.00 O ATOM 865 CB SER A 58 16.008 -6.018 -21.354 1.00 0.00 C ATOM 866 OG SER A 58 15.145 -7.103 -21.076 1.00 0.00 O ATOM 0 H SER A 58 15.639 -5.789 -18.912 1.00 0.00 H new ATOM 0 HA SER A 58 16.182 -3.892 -20.953 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.089 -5.885 -22.433 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.008 -6.245 -20.985 1.00 0.00 H new ATOM 0 HG SER A 58 15.034 -7.192 -20.106 1.00 0.00 H new ATOM 872 N GLY A 59 13.052 -4.514 -20.545 1.00 0.00 N ATOM 873 CA GLY A 59 11.700 -4.044 -20.889 1.00 0.00 C ATOM 874 C GLY A 59 11.467 -2.537 -20.673 1.00 0.00 C ATOM 875 O GLY A 59 10.376 -2.046 -20.963 1.00 0.00 O ATOM 0 H GLY A 59 13.085 -5.008 -19.653 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.503 -4.282 -21.934 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.975 -4.599 -20.293 1.00 0.00 H new ATOM 879 N GLN A 60 12.464 -1.800 -20.163 1.00 0.00 N ATOM 880 CA GLN A 60 12.416 -0.351 -19.939 1.00 0.00 C ATOM 881 C GLN A 60 13.084 0.407 -21.099 1.00 0.00 C ATOM 882 O GLN A 60 13.923 -0.123 -21.827 1.00 0.00 O ATOM 883 CB GLN A 60 13.095 -0.003 -18.599 1.00 0.00 C ATOM 884 CG GLN A 60 12.316 -0.491 -17.364 1.00 0.00 C ATOM 885 CD GLN A 60 13.215 -0.742 -16.153 1.00 0.00 C ATOM 886 OE1 GLN A 60 13.215 -1.825 -15.581 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.018 0.213 -15.732 1.00 0.00 N ATOM 0 H GLN A 60 13.355 -2.212 -19.886 1.00 0.00 H new ATOM 0 HA GLN A 60 11.372 -0.041 -19.896 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.093 -0.440 -18.584 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.219 1.078 -18.535 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.560 0.249 -17.102 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.787 -1.411 -17.614 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.025 1.118 -16.202 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.633 0.048 -14.936 1.00 0.00 H new ATOM 896 N THR A 61 12.734 1.685 -21.229 1.00 0.00 N ATOM 897 CA THR A 61 13.370 2.666 -22.113 1.00 0.00 C ATOM 898 C THR A 61 13.287 4.045 -21.451 1.00 0.00 C ATOM 899 O THR A 61 12.753 4.174 -20.344 1.00 0.00 O ATOM 900 CB THR A 61 12.771 2.629 -23.528 1.00 0.00 C ATOM 901 OG1 THR A 61 13.486 3.504 -24.373 1.00 0.00 O ATOM 902 CG2 THR A 61 11.288 2.983 -23.579 1.00 0.00 C ATOM 0 H THR A 61 11.962 2.086 -20.696 1.00 0.00 H new ATOM 0 HA THR A 61 14.422 2.418 -22.250 1.00 0.00 H new ATOM 0 HB THR A 61 12.860 1.597 -23.868 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.102 3.476 -25.274 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.938 2.935 -24.610 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.724 2.276 -22.971 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.141 3.992 -23.192 1.00 0.00 H new ATOM 910 N SER A 62 13.887 5.058 -22.070 1.00 0.00 N ATOM 911 CA SER A 62 13.993 6.393 -21.472 1.00 0.00 C ATOM 912 C SER A 62 12.787 7.288 -21.783 1.00 0.00 C ATOM 913 O SER A 62 12.367 7.409 -22.937 1.00 0.00 O ATOM 914 CB SER A 62 15.343 7.035 -21.762 1.00 0.00 C ATOM 915 OG SER A 62 15.465 7.525 -23.082 1.00 0.00 O ATOM 0 H SER A 62 14.312 4.982 -22.994 1.00 0.00 H new ATOM 0 HA SER A 62 13.955 6.265 -20.390 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.503 7.855 -21.063 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.130 6.303 -21.581 1.00 0.00 H new ATOM 0 HG SER A 62 15.969 6.883 -23.624 1.00 0.00 H new ATOM 921 N ASP A 63 12.223 7.914 -20.745 1.00 0.00 N ATOM 922 CA ASP A 63 10.984 8.710 -20.821 1.00 0.00 C ATOM 923 C ASP A 63 11.030 10.033 -20.015 1.00 0.00 C ATOM 924 O ASP A 63 11.612 10.070 -18.923 1.00 0.00 O ATOM 925 CB ASP A 63 9.782 7.865 -20.375 1.00 0.00 C ATOM 926 CG ASP A 63 9.364 6.844 -21.445 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.814 7.264 -22.492 1.00 0.00 O ATOM 928 OD2 ASP A 63 9.535 5.620 -21.229 1.00 0.00 O ATOM 0 H ASP A 63 12.620 7.884 -19.806 1.00 0.00 H new ATOM 0 HA ASP A 63 10.878 8.997 -21.867 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.030 7.341 -19.452 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.941 8.521 -20.153 1.00 0.00 H new ATOM 933 N PRO A 64 10.410 11.121 -20.521 1.00 0.00 N ATOM 934 CA PRO A 64 10.534 12.461 -19.950 1.00 0.00 C ATOM 935 C PRO A 64 9.576 12.739 -18.777 1.00 0.00 C ATOM 936 O PRO A 64 8.404 12.362 -18.795 1.00 0.00 O ATOM 937 CB PRO A 64 10.286 13.417 -21.120 1.00 0.00 C ATOM 938 CG PRO A 64 9.265 12.653 -21.962 1.00 0.00 C ATOM 939 CD PRO A 64 9.723 11.202 -21.808 1.00 0.00 C ATOM 0 HA PRO A 64 11.520 12.588 -19.504 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.896 14.378 -20.783 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.200 13.621 -21.678 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.248 12.798 -21.596 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.278 12.974 -23.004 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.872 10.521 -21.838 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.389 10.916 -22.622 1.00 0.00 H new ATOM 947 N ILE A 65 10.058 13.507 -17.798 1.00 0.00 N ATOM 948 CA ILE A 65 9.347 13.982 -16.599 1.00 0.00 C ATOM 949 C ILE A 65 8.045 14.723 -16.952 1.00 0.00 C ATOM 950 O ILE A 65 7.035 14.584 -16.268 1.00 0.00 O ATOM 951 CB ILE A 65 10.331 14.867 -15.787 1.00 0.00 C ATOM 952 CG1 ILE A 65 9.889 14.980 -14.325 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.561 16.267 -16.394 1.00 0.00 C ATOM 954 CD1 ILE A 65 10.852 15.797 -13.461 1.00 0.00 C ATOM 0 H ILE A 65 11.022 13.839 -17.819 1.00 0.00 H new ATOM 0 HA ILE A 65 9.032 13.133 -15.993 1.00 0.00 H new ATOM 0 HB ILE A 65 11.293 14.356 -15.835 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.900 15.437 -14.286 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.794 13.979 -13.903 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.260 16.824 -15.770 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.973 16.165 -17.398 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.613 16.802 -16.444 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.478 15.837 -12.438 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.836 15.328 -13.470 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.929 16.809 -13.859 1.00 0.00 H new ATOM 966 N GLU A 66 8.051 15.431 -18.089 1.00 0.00 N ATOM 967 CA GLU A 66 6.918 16.208 -18.616 1.00 0.00 C ATOM 968 C GLU A 66 5.638 15.379 -18.851 1.00 0.00 C ATOM 969 O GLU A 66 4.537 15.931 -18.779 1.00 0.00 O ATOM 970 CB GLU A 66 7.337 16.862 -19.949 1.00 0.00 C ATOM 971 CG GLU A 66 8.460 17.903 -19.829 1.00 0.00 C ATOM 972 CD GLU A 66 7.981 19.176 -19.097 1.00 0.00 C ATOM 973 OE1 GLU A 66 7.388 20.069 -19.751 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.197 19.292 -17.866 1.00 0.00 O ATOM 0 H GLU A 66 8.874 15.481 -18.690 1.00 0.00 H new ATOM 0 HA GLU A 66 6.673 16.949 -17.855 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.658 16.080 -20.637 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.464 17.339 -20.394 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.303 17.469 -19.291 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.819 18.168 -20.824 1.00 0.00 H new ATOM 981 N ASN A 67 5.761 14.068 -19.114 1.00 0.00 N ATOM 982 CA ASN A 67 4.609 13.176 -19.345 1.00 0.00 C ATOM 983 C ASN A 67 4.071 12.504 -18.056 1.00 0.00 C ATOM 984 O ASN A 67 2.991 11.910 -18.075 1.00 0.00 O ATOM 985 CB ASN A 67 4.959 12.164 -20.464 1.00 0.00 C ATOM 986 CG ASN A 67 5.206 10.747 -19.957 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.429 9.833 -20.185 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.275 10.527 -19.230 1.00 0.00 N ATOM 0 H ASN A 67 6.662 13.594 -19.173 1.00 0.00 H new ATOM 0 HA ASN A 67 3.772 13.788 -19.682 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.146 12.144 -21.190 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.848 12.512 -20.990 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.455 9.595 -18.857 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.926 11.288 -19.037 1.00 0.00 H new ATOM 995 N PHE A 68 4.827 12.565 -16.953 1.00 0.00 N ATOM 996 CA PHE A 68 4.572 11.814 -15.717 1.00 0.00 C ATOM 997 C PHE A 68 3.819 12.633 -14.648 1.00 0.00 C ATOM 998 O PHE A 68 3.613 13.841 -14.789 1.00 0.00 O ATOM 999 CB PHE A 68 5.903 11.229 -15.213 1.00 0.00 C ATOM 1000 CG PHE A 68 6.420 10.038 -16.003 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.643 8.870 -16.128 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.694 10.080 -16.596 1.00 0.00 C ATOM 1003 CE1 PHE A 68 6.126 7.765 -16.848 1.00 0.00 C ATOM 1004 CE2 PHE A 68 8.175 8.977 -17.326 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.395 7.816 -17.448 1.00 0.00 C ATOM 0 H PHE A 68 5.657 13.155 -16.894 1.00 0.00 H new ATOM 0 HA PHE A 68 3.890 10.993 -15.939 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.658 12.014 -15.232 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.780 10.930 -14.172 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.668 8.824 -15.666 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.307 10.963 -16.491 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.521 6.875 -16.940 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.147 9.024 -17.794 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.769 6.967 -18.000 1.00 0.00 H new ATOM 1015 N ASN A 69 3.391 11.961 -13.569 1.00 0.00 N ATOM 1016 CA ASN A 69 2.479 12.493 -12.546 1.00 0.00 C ATOM 1017 C ASN A 69 3.060 12.408 -11.121 1.00 0.00 C ATOM 1018 O ASN A 69 2.774 11.458 -10.387 1.00 0.00 O ATOM 1019 CB ASN A 69 1.099 11.806 -12.704 1.00 0.00 C ATOM 1020 CG ASN A 69 1.116 10.288 -12.886 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.764 9.768 -13.935 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.509 9.529 -11.886 1.00 0.00 N ATOM 0 H ASN A 69 3.680 11.001 -13.378 1.00 0.00 H new ATOM 0 HA ASN A 69 2.346 13.563 -12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.498 12.039 -11.825 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.593 12.248 -13.562 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.519 8.514 -11.989 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.804 9.955 -11.008 1.00 0.00 H new ATOM 1029 N ALA A 70 3.832 13.420 -10.701 1.00 0.00 N ATOM 1030 CA ALA A 70 4.456 13.448 -9.370 1.00 0.00 C ATOM 1031 C ALA A 70 3.457 13.216 -8.220 1.00 0.00 C ATOM 1032 O ALA A 70 3.810 12.598 -7.217 1.00 0.00 O ATOM 1033 CB ALA A 70 5.158 14.785 -9.138 1.00 0.00 C ATOM 0 H ALA A 70 4.041 14.239 -11.271 1.00 0.00 H new ATOM 0 HA ALA A 70 5.171 12.625 -9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.615 14.789 -8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.930 14.927 -9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.431 15.594 -9.206 1.00 0.00 H new ATOM 1039 N ASP A 71 2.212 13.675 -8.387 1.00 0.00 N ATOM 1040 CA ASP A 71 1.128 13.556 -7.404 1.00 0.00 C ATOM 1041 C ASP A 71 0.822 12.104 -6.973 1.00 0.00 C ATOM 1042 O ASP A 71 0.335 11.881 -5.864 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.130 14.193 -8.008 1.00 0.00 C ATOM 1044 CG ASP A 71 -1.287 14.270 -6.994 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -1.178 15.040 -6.008 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -2.323 13.593 -7.202 1.00 0.00 O ATOM 0 H ASP A 71 1.921 14.156 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 71 1.451 14.068 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.107 15.196 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.447 13.615 -8.876 1.00 0.00 H new ATOM 1051 N ASP A 72 1.129 11.111 -7.822 1.00 0.00 N ATOM 1052 CA ASP A 72 0.946 9.683 -7.523 1.00 0.00 C ATOM 1053 C ASP A 72 2.258 8.953 -7.168 1.00 0.00 C ATOM 1054 O ASP A 72 2.273 7.729 -7.045 1.00 0.00 O ATOM 1055 CB ASP A 72 0.185 8.991 -8.664 1.00 0.00 C ATOM 1056 CG ASP A 72 -0.459 7.657 -8.240 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -1.109 7.600 -7.165 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -0.375 6.668 -9.010 1.00 0.00 O ATOM 0 H ASP A 72 1.517 11.281 -8.750 1.00 0.00 H new ATOM 0 HA ASP A 72 0.340 9.623 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.591 9.661 -9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.870 8.810 -9.492 1.00 0.00 H new ATOM 1063 N TYR A 73 3.365 9.680 -6.980 1.00 0.00 N ATOM 1064 CA TYR A 73 4.637 9.134 -6.505 1.00 0.00 C ATOM 1065 C TYR A 73 4.893 9.654 -5.085 1.00 0.00 C ATOM 1066 O TYR A 73 5.359 10.775 -4.895 1.00 0.00 O ATOM 1067 CB TYR A 73 5.784 9.470 -7.477 1.00 0.00 C ATOM 1068 CG TYR A 73 5.496 9.282 -8.956 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.757 8.177 -9.429 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.969 10.243 -9.868 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.425 8.082 -10.795 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.632 10.156 -11.231 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.840 9.088 -11.693 1.00 0.00 C ATOM 1074 OH TYR A 73 4.482 9.036 -13.005 1.00 0.00 O ATOM 0 H TYR A 73 3.400 10.684 -7.158 1.00 0.00 H new ATOM 0 HA TYR A 73 4.588 8.046 -6.470 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.075 10.508 -7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.644 8.853 -7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.445 7.403 -8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.594 11.052 -9.520 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.853 7.239 -11.155 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.981 10.908 -11.923 1.00 0.00 H new ATOM 0 HH TYR A 73 5.282 8.914 -13.558 1.00 0.00 H new ATOM 1084 N ASP A 74 4.565 8.843 -4.070 1.00 0.00 N ATOM 1085 CA ASP A 74 4.734 9.206 -2.654 1.00 0.00 C ATOM 1086 C ASP A 74 6.165 9.685 -2.346 1.00 0.00 C ATOM 1087 O ASP A 74 6.364 10.615 -1.565 1.00 0.00 O ATOM 1088 CB ASP A 74 4.410 7.994 -1.768 1.00 0.00 C ATOM 1089 CG ASP A 74 2.970 7.509 -1.931 1.00 0.00 C ATOM 1090 OD1 ASP A 74 2.028 8.166 -1.439 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.797 6.449 -2.576 1.00 0.00 O ATOM 0 H ASP A 74 4.173 7.912 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 74 4.050 10.028 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.092 7.180 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.584 8.256 -0.724 1.00 0.00 H new ATOM 1096 N VAL A 75 7.156 9.089 -3.014 1.00 0.00 N ATOM 1097 CA VAL A 75 8.563 9.491 -2.953 1.00 0.00 C ATOM 1098 C VAL A 75 9.101 9.771 -4.355 1.00 0.00 C ATOM 1099 O VAL A 75 8.875 8.990 -5.280 1.00 0.00 O ATOM 1100 CB VAL A 75 9.402 8.408 -2.261 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.865 8.841 -2.125 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.823 8.061 -0.882 1.00 0.00 C ATOM 0 H VAL A 75 6.997 8.291 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 75 8.634 10.408 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 75 9.365 7.517 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.433 8.053 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.284 9.025 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.921 9.754 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.436 7.291 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.818 8.953 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.804 7.692 -0.998 1.00 0.00 H new ATOM 1112 N VAL A 76 9.887 10.837 -4.511 1.00 0.00 N ATOM 1113 CA VAL A 76 10.629 11.146 -5.747 1.00 0.00 C ATOM 1114 C VAL A 76 12.121 11.258 -5.443 1.00 0.00 C ATOM 1115 O VAL A 76 12.516 11.852 -4.444 1.00 0.00 O ATOM 1116 CB VAL A 76 10.080 12.418 -6.413 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.974 12.950 -7.543 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.697 12.155 -7.020 1.00 0.00 C ATOM 0 H VAL A 76 10.032 11.526 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 76 10.491 10.332 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 76 10.038 13.162 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.527 13.848 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.960 13.189 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.070 12.190 -8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.325 13.067 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.773 11.368 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.009 11.842 -6.235 1.00 0.00 H new ATOM 1128 N ILE A 77 12.962 10.701 -6.312 1.00 0.00 N ATOM 1129 CA ILE A 77 14.420 10.677 -6.159 1.00 0.00 C ATOM 1130 C ILE A 77 15.074 11.312 -7.389 1.00 0.00 C ATOM 1131 O ILE A 77 14.710 10.962 -8.507 1.00 0.00 O ATOM 1132 CB ILE A 77 14.907 9.220 -6.003 1.00 0.00 C ATOM 1133 CG1 ILE A 77 14.125 8.362 -4.981 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.406 9.185 -5.683 1.00 0.00 C ATOM 1135 CD1 ILE A 77 14.187 8.838 -3.529 1.00 0.00 C ATOM 0 H ILE A 77 12.643 10.241 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 77 14.698 11.242 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 77 14.710 8.759 -6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 77 13.080 8.327 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.505 7.341 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.731 8.150 -5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.962 9.659 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.592 9.721 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.605 8.164 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 77 15.224 8.844 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.777 9.845 -3.459 1.00 0.00 H new ATOM 1147 N SER A 78 16.068 12.182 -7.209 1.00 0.00 N ATOM 1148 CA SER A 78 16.918 12.683 -8.303 1.00 0.00 C ATOM 1149 C SER A 78 18.293 12.018 -8.280 1.00 0.00 C ATOM 1150 O SER A 78 18.880 11.820 -7.222 1.00 0.00 O ATOM 1151 CB SER A 78 17.047 14.204 -8.259 1.00 0.00 C ATOM 1152 OG SER A 78 17.800 14.615 -9.390 1.00 0.00 O ATOM 0 H SER A 78 16.312 12.565 -6.296 1.00 0.00 H new ATOM 0 HA SER A 78 16.431 12.420 -9.242 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.062 14.670 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.540 14.518 -7.339 1.00 0.00 H new ATOM 0 HG SER A 78 17.894 15.590 -9.383 1.00 0.00 H new ATOM 1158 N LEU A 79 18.821 11.663 -9.449 1.00 0.00 N ATOM 1159 CA LEU A 79 20.102 10.969 -9.635 1.00 0.00 C ATOM 1160 C LEU A 79 20.915 11.678 -10.731 1.00 0.00 C ATOM 1161 O LEU A 79 21.404 11.046 -11.665 1.00 0.00 O ATOM 1162 CB LEU A 79 19.860 9.461 -9.912 1.00 0.00 C ATOM 1163 CG LEU A 79 18.975 8.704 -8.896 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.494 8.724 -9.282 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.352 7.223 -8.853 1.00 0.00 C ATOM 0 H LEU A 79 18.351 11.858 -10.333 1.00 0.00 H new ATOM 0 HA LEU A 79 20.698 11.014 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.406 9.364 -10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.829 8.963 -9.957 1.00 0.00 H new ATOM 0 HG LEU A 79 19.135 9.208 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.916 8.179 -8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.144 9.755 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.366 8.252 -10.256 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.718 6.707 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.211 6.783 -9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.396 7.122 -8.556 1.00 0.00 H new ATOM 1213 N VAL A 84 20.336 20.386 -11.187 1.00 0.00 N ATOM 1214 CA VAL A 84 18.938 19.909 -11.234 1.00 0.00 C ATOM 1215 C VAL A 84 18.309 20.024 -9.841 1.00 0.00 C ATOM 1216 O VAL A 84 18.889 19.554 -8.862 1.00 0.00 O ATOM 1217 CB VAL A 84 18.869 18.455 -11.752 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.432 17.916 -11.793 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.446 18.332 -13.166 1.00 0.00 C ATOM 0 HA VAL A 84 18.375 20.532 -11.929 1.00 0.00 H new ATOM 0 HB VAL A 84 19.460 17.870 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.438 16.891 -12.164 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.007 17.936 -10.789 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.829 18.538 -12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.380 17.295 -13.497 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.879 18.967 -13.847 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.490 18.646 -13.162 1.00 0.00 H new ATOM 1229 N ASN A 85 17.120 20.640 -9.742 1.00 0.00 N ATOM 1230 CA ASN A 85 16.431 20.848 -8.455 1.00 0.00 C ATOM 1231 C ASN A 85 14.899 20.607 -8.473 1.00 0.00 C ATOM 1232 O ASN A 85 14.260 20.745 -7.432 1.00 0.00 O ATOM 1233 CB ASN A 85 16.812 22.257 -7.948 1.00 0.00 C ATOM 1234 CG ASN A 85 16.865 22.332 -6.428 1.00 0.00 C ATOM 1235 OD1 ASN A 85 16.035 22.945 -5.771 1.00 0.00 O ATOM 1236 ND2 ASN A 85 17.863 21.720 -5.825 1.00 0.00 N ATOM 0 H ASN A 85 16.610 21.007 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 85 16.773 20.080 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 85 17.783 22.537 -8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.088 22.982 -8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.945 21.757 -4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.554 21.209 -6.374 1.00 0.00 H new ATOM 1243 N LEU A 86 14.319 20.240 -9.630 1.00 0.00 N ATOM 1244 CA LEU A 86 12.883 19.951 -9.840 1.00 0.00 C ATOM 1245 C LEU A 86 11.904 20.944 -9.154 1.00 0.00 C ATOM 1246 O LEU A 86 11.132 20.539 -8.284 1.00 0.00 O ATOM 1247 CB LEU A 86 12.589 18.482 -9.462 1.00 0.00 C ATOM 1248 CG LEU A 86 13.372 17.370 -10.163 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.796 16.026 -9.712 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.219 17.488 -11.678 1.00 0.00 C ATOM 0 H LEU A 86 14.862 20.131 -10.487 1.00 0.00 H new ATOM 0 HA LEU A 86 12.690 20.100 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.755 18.377 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.529 18.301 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 86 14.429 17.449 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.339 15.216 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.896 15.932 -8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.742 15.972 -9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.781 16.691 -12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.166 17.404 -11.945 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.601 18.454 -12.008 1.00 0.00 H new ATOM 1262 N PRO A 87 11.855 22.228 -9.570 1.00 0.00 N ATOM 1263 CA PRO A 87 10.949 23.238 -8.999 1.00 0.00 C ATOM 1264 C PRO A 87 9.436 22.909 -8.865 1.00 0.00 C ATOM 1265 O PRO A 87 8.821 23.485 -7.960 1.00 0.00 O ATOM 1266 CB PRO A 87 11.140 24.486 -9.870 1.00 0.00 C ATOM 1267 CG PRO A 87 12.576 24.353 -10.366 1.00 0.00 C ATOM 1268 CD PRO A 87 12.718 22.847 -10.571 1.00 0.00 C ATOM 0 HA PRO A 87 11.231 23.339 -7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.430 24.512 -10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.996 25.402 -9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.738 24.905 -11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.293 24.733 -9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.418 22.559 -11.578 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.753 22.531 -10.444 1.00 0.00 H new ATOM 1276 N PRO A 88 8.793 22.058 -9.707 1.00 0.00 N ATOM 1277 CA PRO A 88 7.344 21.803 -9.630 1.00 0.00 C ATOM 1278 C PRO A 88 6.904 20.868 -8.477 1.00 0.00 C ATOM 1279 O PRO A 88 7.635 20.611 -7.521 1.00 0.00 O ATOM 1280 CB PRO A 88 6.950 21.243 -11.012 1.00 0.00 C ATOM 1281 CG PRO A 88 8.138 21.498 -11.926 1.00 0.00 C ATOM 1282 CD PRO A 88 9.309 21.507 -10.957 1.00 0.00 C ATOM 0 HA PRO A 88 6.825 22.731 -9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.727 20.178 -10.951 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.054 21.735 -11.391 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.243 20.719 -12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.044 22.445 -12.457 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.700 20.500 -10.808 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.129 22.113 -11.342 1.00 0.00 H new ATOM 1290 N GLU A 89 5.709 20.274 -8.607 1.00 0.00 N ATOM 1291 CA GLU A 89 5.150 19.230 -7.719 1.00 0.00 C ATOM 1292 C GLU A 89 6.063 18.004 -7.491 1.00 0.00 C ATOM 1293 O GLU A 89 5.869 17.235 -6.551 1.00 0.00 O ATOM 1294 CB GLU A 89 3.769 18.793 -8.247 1.00 0.00 C ATOM 1295 CG GLU A 89 3.756 18.367 -9.726 1.00 0.00 C ATOM 1296 CD GLU A 89 2.372 17.813 -10.130 1.00 0.00 C ATOM 1297 OE1 GLU A 89 1.420 18.618 -10.285 1.00 0.00 O ATOM 1298 OE2 GLU A 89 2.233 16.579 -10.316 1.00 0.00 O ATOM 0 H GLU A 89 5.073 20.515 -9.367 1.00 0.00 H new ATOM 0 HA GLU A 89 5.060 19.690 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.408 17.963 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.066 19.615 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.008 19.220 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.519 17.608 -9.896 1.00 0.00 H new ATOM 1305 N TRP A 90 7.117 17.843 -8.292 1.00 0.00 N ATOM 1306 CA TRP A 90 8.168 16.830 -8.148 1.00 0.00 C ATOM 1307 C TRP A 90 8.950 16.890 -6.824 1.00 0.00 C ATOM 1308 O TRP A 90 9.578 15.897 -6.458 1.00 0.00 O ATOM 1309 CB TRP A 90 9.078 16.935 -9.372 1.00 0.00 C ATOM 1310 CG TRP A 90 8.396 16.425 -10.600 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.627 17.138 -11.451 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.360 15.055 -11.093 1.00 0.00 C ATOM 1313 NE1 TRP A 90 7.003 16.279 -12.336 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.420 14.977 -12.160 1.00 0.00 C ATOM 1315 CE3 TRP A 90 9.060 13.880 -10.762 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.147 13.778 -12.832 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.854 12.690 -11.481 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.898 12.635 -12.507 1.00 0.00 C ATOM 0 H TRP A 90 7.270 18.446 -9.101 1.00 0.00 H new ATOM 0 HA TRP A 90 7.693 15.850 -8.101 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.372 17.974 -9.521 1.00 0.00 H new ATOM 0 HB3 TRP A 90 9.992 16.367 -9.198 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.517 18.212 -11.442 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.319 16.572 -13.033 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.765 13.893 -9.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.374 13.733 -13.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.435 11.812 -11.242 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.739 11.714 -13.047 1.00 0.00 H new ATOM 1329 N VAL A 91 8.870 17.995 -6.074 1.00 0.00 N ATOM 1330 CA VAL A 91 9.473 18.138 -4.729 1.00 0.00 C ATOM 1331 C VAL A 91 8.457 18.446 -3.617 1.00 0.00 C ATOM 1332 O VAL A 91 8.848 18.617 -2.463 1.00 0.00 O ATOM 1333 CB VAL A 91 10.650 19.135 -4.723 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.756 18.686 -5.676 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.211 20.570 -5.048 1.00 0.00 C ATOM 0 H VAL A 91 8.378 18.833 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 91 9.874 17.153 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 91 11.043 19.142 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.573 19.407 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.126 17.708 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.359 18.622 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.079 21.229 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.756 20.596 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.486 20.905 -4.307 1.00 0.00 H new ATOM 1345 N THR A 92 7.153 18.465 -3.926 1.00 0.00 N ATOM 1346 CA THR A 92 6.070 18.666 -2.938 1.00 0.00 C ATOM 1347 C THR A 92 5.505 17.348 -2.379 1.00 0.00 C ATOM 1348 O THR A 92 4.568 17.362 -1.576 1.00 0.00 O ATOM 1349 CB THR A 92 4.934 19.536 -3.505 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.273 18.850 -4.546 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.435 20.866 -4.070 1.00 0.00 C ATOM 0 H THR A 92 6.811 18.340 -4.879 1.00 0.00 H new ATOM 0 HA THR A 92 6.532 19.195 -2.105 1.00 0.00 H new ATOM 0 HB THR A 92 4.261 19.741 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.923 18.319 -5.052 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.591 21.438 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.928 21.434 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.143 20.675 -4.876 1.00 0.00 H new ATOM 1359 N GLN A 93 6.073 16.204 -2.789 1.00 0.00 N ATOM 1360 CA GLN A 93 5.672 14.868 -2.341 1.00 0.00 C ATOM 1361 C GLN A 93 6.192 14.556 -0.922 1.00 0.00 C ATOM 1362 O GLN A 93 6.882 15.370 -0.303 1.00 0.00 O ATOM 1363 CB GLN A 93 6.095 13.817 -3.387 1.00 0.00 C ATOM 1364 CG GLN A 93 5.602 14.139 -4.810 1.00 0.00 C ATOM 1365 CD GLN A 93 4.118 14.535 -4.852 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.235 13.874 -4.320 1.00 0.00 O ATOM 1367 NE2 GLN A 93 3.798 15.676 -5.426 1.00 0.00 N ATOM 0 H GLN A 93 6.843 16.185 -3.458 1.00 0.00 H new ATOM 0 HA GLN A 93 4.585 14.833 -2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.182 13.741 -3.396 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.709 12.842 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.201 14.951 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.760 13.270 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.519 16.241 -5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.829 15.995 -5.422 1.00 0.00 H new ATOM 1376 N GLU A 94 5.847 13.383 -0.381 1.00 0.00 N ATOM 1377 CA GLU A 94 6.091 13.055 1.036 1.00 0.00 C ATOM 1378 C GLU A 94 7.589 12.988 1.384 1.00 0.00 C ATOM 1379 O GLU A 94 7.992 13.482 2.440 1.00 0.00 O ATOM 1380 CB GLU A 94 5.361 11.752 1.406 1.00 0.00 C ATOM 1381 CG GLU A 94 5.530 11.394 2.884 1.00 0.00 C ATOM 1382 CD GLU A 94 4.666 10.180 3.262 1.00 0.00 C ATOM 1383 OE1 GLU A 94 5.108 9.026 3.048 1.00 0.00 O ATOM 1384 OE2 GLU A 94 3.546 10.355 3.802 1.00 0.00 O ATOM 0 H GLU A 94 5.393 12.635 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 94 5.685 13.868 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.300 11.855 1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.742 10.937 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.578 11.177 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.253 12.248 3.502 1.00 0.00 H new ATOM 1391 N ILE A 95 8.418 12.437 0.483 1.00 0.00 N ATOM 1392 CA ILE A 95 9.885 12.450 0.604 1.00 0.00 C ATOM 1393 C ILE A 95 10.527 12.782 -0.751 1.00 0.00 C ATOM 1394 O ILE A 95 10.123 12.248 -1.787 1.00 0.00 O ATOM 1395 CB ILE A 95 10.436 11.105 1.166 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.711 10.647 2.456 1.00 0.00 C ATOM 1397 CG2 ILE A 95 11.958 11.197 1.405 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.246 9.344 3.072 1.00 0.00 C ATOM 0 H ILE A 95 8.086 11.965 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 95 10.152 13.227 1.320 1.00 0.00 H new ATOM 0 HB ILE A 95 10.237 10.347 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.787 11.441 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.652 10.518 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.323 10.248 1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.461 11.418 0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.166 11.990 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.676 9.105 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.145 8.532 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.297 9.469 3.332 1.00 0.00 H new ATOM 1410 N PHE A 96 11.552 13.640 -0.731 1.00 0.00 N ATOM 1411 CA PHE A 96 12.438 13.900 -1.867 1.00 0.00 C ATOM 1412 C PHE A 96 13.901 13.705 -1.440 1.00 0.00 C ATOM 1413 O PHE A 96 14.310 14.189 -0.381 1.00 0.00 O ATOM 1414 CB PHE A 96 12.190 15.278 -2.501 1.00 0.00 C ATOM 1415 CG PHE A 96 13.163 15.594 -3.629 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.902 15.178 -4.954 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.376 16.250 -3.340 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.861 15.394 -5.964 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.321 16.485 -4.354 1.00 0.00 C ATOM 1420 CZ PHE A 96 15.064 16.056 -5.666 1.00 0.00 C ATOM 0 H PHE A 96 11.793 14.186 0.096 1.00 0.00 H new ATOM 0 HA PHE A 96 12.211 13.177 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.171 15.318 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.271 16.046 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.967 14.694 -5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.582 16.575 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.671 15.050 -6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.245 16.995 -4.124 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.790 16.235 -6.445 1.00 0.00 H new ATOM 1430 N GLU A 97 14.694 13.008 -2.260 1.00 0.00 N ATOM 1431 CA GLU A 97 16.138 12.818 -2.053 1.00 0.00 C ATOM 1432 C GLU A 97 16.926 13.032 -3.354 1.00 0.00 C ATOM 1433 O GLU A 97 16.413 12.779 -4.445 1.00 0.00 O ATOM 1434 CB GLU A 97 16.444 11.404 -1.525 1.00 0.00 C ATOM 1435 CG GLU A 97 15.811 11.074 -0.166 1.00 0.00 C ATOM 1436 CD GLU A 97 16.271 9.693 0.352 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.489 9.389 0.308 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.412 8.913 0.832 1.00 0.00 O ATOM 0 H GLU A 97 14.346 12.550 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 97 16.446 13.560 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.098 10.675 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.525 11.287 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 97 16.079 11.843 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.725 11.087 -0.257 1.00 0.00 H new ATOM 1445 N ASP A 98 18.198 13.432 -3.246 1.00 0.00 N ATOM 1446 CA ASP A 98 19.131 13.485 -4.378 1.00 0.00 C ATOM 1447 C ASP A 98 20.386 12.623 -4.127 1.00 0.00 C ATOM 1448 O ASP A 98 21.129 12.835 -3.166 1.00 0.00 O ATOM 1449 CB ASP A 98 19.420 14.938 -4.791 1.00 0.00 C ATOM 1450 CG ASP A 98 20.366 15.700 -3.843 1.00 0.00 C ATOM 1451 OD1 ASP A 98 19.970 16.017 -2.694 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.493 16.043 -4.279 1.00 0.00 O ATOM 0 H ASP A 98 18.613 13.731 -2.363 1.00 0.00 H new ATOM 0 HA ASP A 98 18.654 13.029 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 98 19.853 14.938 -5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.476 15.479 -4.852 1.00 0.00 H new ATOM 1457 N TRP A 99 20.602 11.621 -4.985 1.00 0.00 N ATOM 1458 CA TRP A 99 21.664 10.610 -4.880 1.00 0.00 C ATOM 1459 C TRP A 99 22.725 10.854 -5.962 1.00 0.00 C ATOM 1460 O TRP A 99 22.658 10.318 -7.070 1.00 0.00 O ATOM 1461 CB TRP A 99 21.053 9.199 -4.966 1.00 0.00 C ATOM 1462 CG TRP A 99 19.970 8.820 -3.991 1.00 0.00 C ATOM 1463 CD1 TRP A 99 19.657 9.439 -2.827 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.035 7.702 -4.097 1.00 0.00 C ATOM 1465 NE1 TRP A 99 18.576 8.807 -2.237 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.146 7.736 -2.983 1.00 0.00 C ATOM 1467 CE3 TRP A 99 18.861 6.653 -5.025 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.127 6.789 -2.808 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 17.830 5.704 -4.870 1.00 0.00 C ATOM 1470 CH2 TRP A 99 16.963 5.772 -3.763 1.00 0.00 C ATOM 0 H TRP A 99 20.016 11.485 -5.809 1.00 0.00 H new ATOM 0 HA TRP A 99 22.161 10.691 -3.913 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.651 9.073 -5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 99 21.865 8.480 -4.855 1.00 0.00 H new ATOM 0 HD1 TRP A 99 20.173 10.296 -2.421 1.00 0.00 H new ATOM 0 HE1 TRP A 99 18.151 9.100 -1.357 1.00 0.00 H new ATOM 0 HE3 TRP A 99 19.530 6.576 -5.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.475 6.841 -1.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.705 4.921 -5.604 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.174 5.044 -3.648 1.00 0.00 H new ATOM 1481 N GLN A 100 23.693 11.718 -5.655 1.00 0.00 N ATOM 1482 CA GLN A 100 24.731 12.143 -6.599 1.00 0.00 C ATOM 1483 C GLN A 100 25.847 11.079 -6.698 1.00 0.00 C ATOM 1484 O GLN A 100 26.461 10.721 -5.691 1.00 0.00 O ATOM 1485 CB GLN A 100 25.282 13.517 -6.182 1.00 0.00 C ATOM 1486 CG GLN A 100 24.177 14.578 -5.996 1.00 0.00 C ATOM 1487 CD GLN A 100 24.702 16.014 -5.908 1.00 0.00 C ATOM 1488 OE1 GLN A 100 25.815 16.341 -6.301 1.00 0.00 O ATOM 1489 NE2 GLN A 100 23.900 16.937 -5.422 1.00 0.00 N ATOM 0 H GLN A 100 23.781 12.148 -4.734 1.00 0.00 H new ATOM 0 HA GLN A 100 24.296 12.242 -7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.838 13.412 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 100 25.988 13.864 -6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.477 14.508 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.618 14.350 -5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.970 16.681 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.208 17.908 -5.377 1.00 0.00 H new ATOM 1498 N LEU A 101 26.099 10.568 -7.912 1.00 0.00 N ATOM 1499 CA LEU A 101 27.047 9.474 -8.206 1.00 0.00 C ATOM 1500 C LEU A 101 27.776 9.695 -9.551 1.00 0.00 C ATOM 1501 O LEU A 101 27.424 10.588 -10.324 1.00 0.00 O ATOM 1502 CB LEU A 101 26.267 8.134 -8.218 1.00 0.00 C ATOM 1503 CG LEU A 101 25.755 7.614 -6.857 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.966 6.329 -7.082 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.890 7.289 -5.888 1.00 0.00 C ATOM 0 H LEU A 101 25.633 10.916 -8.750 1.00 0.00 H new ATOM 0 HA LEU A 101 27.814 9.452 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.411 8.245 -8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.911 7.370 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 101 25.142 8.404 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.600 5.954 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 101 24.121 6.532 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.612 5.581 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.473 6.928 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.529 6.519 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 101 27.479 8.187 -5.703 1.00 0.00 H new ATOM 1517 N GLU A 102 28.767 8.846 -9.846 1.00 0.00 N ATOM 1518 CA GLU A 102 29.472 8.777 -11.132 1.00 0.00 C ATOM 1519 C GLU A 102 28.533 8.545 -12.319 1.00 0.00 C ATOM 1520 O GLU A 102 27.350 8.238 -12.175 1.00 0.00 O ATOM 1521 CB GLU A 102 30.522 7.647 -11.095 1.00 0.00 C ATOM 1522 CG GLU A 102 31.818 8.008 -10.376 1.00 0.00 C ATOM 1523 CD GLU A 102 32.538 9.236 -10.978 1.00 0.00 C ATOM 1524 OE1 GLU A 102 32.552 9.404 -12.223 1.00 0.00 O ATOM 1525 OE2 GLU A 102 33.108 10.044 -10.204 1.00 0.00 O ATOM 0 H GLU A 102 29.113 8.163 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 102 29.950 9.746 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.082 6.776 -10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.759 7.355 -12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.599 8.204 -9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 102 32.491 7.151 -10.406 1.00 0.00 H new ATOM 1532 N ASP A 103 29.066 8.707 -13.522 1.00 0.00 N ATOM 1533 CA ASP A 103 28.360 8.590 -14.801 1.00 0.00 C ATOM 1534 C ASP A 103 28.958 7.447 -15.646 1.00 0.00 C ATOM 1535 O ASP A 103 29.955 7.673 -16.336 1.00 0.00 O ATOM 1536 CB ASP A 103 28.408 9.960 -15.493 1.00 0.00 C ATOM 1537 CG ASP A 103 27.245 10.120 -16.477 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.277 9.567 -17.599 1.00 0.00 O ATOM 1539 OD2 ASP A 103 26.238 10.759 -16.091 1.00 0.00 O ATOM 0 H ASP A 103 30.053 8.935 -13.644 1.00 0.00 H new ATOM 0 HA ASP A 103 27.314 8.322 -14.655 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.367 10.751 -14.744 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.354 10.071 -16.022 1.00 0.00 H new ATOM 1544 N PRO A 104 28.416 6.210 -15.568 1.00 0.00 N ATOM 1545 CA PRO A 104 29.037 5.012 -16.160 1.00 0.00 C ATOM 1546 C PRO A 104 29.041 4.926 -17.694 1.00 0.00 C ATOM 1547 O PRO A 104 29.760 4.105 -18.256 1.00 0.00 O ATOM 1548 CB PRO A 104 28.278 3.824 -15.567 1.00 0.00 C ATOM 1549 CG PRO A 104 27.708 4.361 -14.263 1.00 0.00 C ATOM 1550 CD PRO A 104 27.350 5.785 -14.664 1.00 0.00 C ATOM 0 HA PRO A 104 30.099 5.035 -15.917 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.489 3.481 -16.236 1.00 0.00 H new ATOM 0 HB3 PRO A 104 28.939 2.975 -15.393 1.00 0.00 H new ATOM 0 HG2 PRO A 104 26.838 3.796 -13.930 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.436 4.332 -13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.378 5.823 -15.156 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.291 6.436 -13.792 1.00 0.00 H new ATOM 1558 N ASP A 105 28.249 5.753 -18.374 1.00 0.00 N ATOM 1559 CA ASP A 105 28.047 5.747 -19.827 1.00 0.00 C ATOM 1560 C ASP A 105 29.374 5.962 -20.594 1.00 0.00 C ATOM 1561 O ASP A 105 29.871 7.086 -20.717 1.00 0.00 O ATOM 1562 CB ASP A 105 27.002 6.837 -20.120 1.00 0.00 C ATOM 1563 CG ASP A 105 26.483 6.925 -21.561 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.936 6.176 -22.455 1.00 0.00 O ATOM 1565 OD2 ASP A 105 25.540 7.726 -21.782 1.00 0.00 O ATOM 0 H ASP A 105 27.705 6.479 -17.909 1.00 0.00 H new ATOM 0 HA ASP A 105 27.688 4.778 -20.173 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.149 6.677 -19.460 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.433 7.802 -19.854 1.00 0.00 H new ATOM 1570 N GLY A 106 29.966 4.864 -21.088 1.00 0.00 N ATOM 1571 CA GLY A 106 31.262 4.860 -21.783 1.00 0.00 C ATOM 1572 C GLY A 106 32.500 4.754 -20.871 1.00 0.00 C ATOM 1573 O GLY A 106 33.610 5.025 -21.332 1.00 0.00 O ATOM 0 H GLY A 106 29.549 3.936 -21.014 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.276 4.026 -22.485 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.342 5.774 -22.372 1.00 0.00 H new ATOM 1577 N GLN A 107 32.332 4.374 -19.595 1.00 0.00 N ATOM 1578 CA GLN A 107 33.423 4.207 -18.620 1.00 0.00 C ATOM 1579 C GLN A 107 34.003 2.776 -18.652 1.00 0.00 C ATOM 1580 O GLN A 107 34.758 2.422 -19.561 1.00 0.00 O ATOM 1581 CB GLN A 107 32.967 4.618 -17.203 1.00 0.00 C ATOM 1582 CG GLN A 107 32.370 6.019 -17.058 1.00 0.00 C ATOM 1583 CD GLN A 107 33.334 7.195 -17.161 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.518 7.079 -17.456 1.00 0.00 O ATOM 1585 NE2 GLN A 107 32.834 8.379 -16.890 1.00 0.00 N ATOM 0 H GLN A 107 31.413 4.169 -19.203 1.00 0.00 H new ATOM 0 HA GLN A 107 34.233 4.878 -18.908 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.228 3.895 -16.859 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.823 4.541 -16.533 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.603 6.141 -17.823 1.00 0.00 H new ATOM 0 HG3 GLN A 107 31.869 6.075 -16.092 1.00 0.00 H new ATOM 0 HE21 GLN A 107 31.848 8.472 -16.645 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.431 9.205 -16.925 1.00 0.00 H new ATOM 1594 N SER A 108 33.649 1.950 -17.663 1.00 0.00 N ATOM 1595 CA SER A 108 34.030 0.542 -17.518 1.00 0.00 C ATOM 1596 C SER A 108 32.974 -0.210 -16.703 1.00 0.00 C ATOM 1597 O SER A 108 32.165 0.403 -16.002 1.00 0.00 O ATOM 1598 CB SER A 108 35.401 0.427 -16.831 1.00 0.00 C ATOM 1599 OG SER A 108 35.304 0.727 -15.444 1.00 0.00 O ATOM 0 H SER A 108 33.054 2.265 -16.897 1.00 0.00 H new ATOM 0 HA SER A 108 34.095 0.097 -18.511 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.794 -0.581 -16.962 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.107 1.108 -17.305 1.00 0.00 H new ATOM 0 HG SER A 108 36.188 0.645 -15.029 1.00 0.00 H new ATOM 1605 N LEU A 109 33.003 -1.545 -16.748 1.00 0.00 N ATOM 1606 CA LEU A 109 32.078 -2.386 -15.974 1.00 0.00 C ATOM 1607 C LEU A 109 32.245 -2.192 -14.470 1.00 0.00 C ATOM 1608 O LEU A 109 31.268 -2.130 -13.735 1.00 0.00 O ATOM 1609 CB LEU A 109 32.282 -3.862 -16.352 1.00 0.00 C ATOM 1610 CG LEU A 109 32.024 -4.192 -17.831 1.00 0.00 C ATOM 1611 CD1 LEU A 109 32.230 -5.688 -18.037 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.617 -3.803 -18.285 1.00 0.00 C ATOM 0 H LEU A 109 33.664 -2.073 -17.318 1.00 0.00 H new ATOM 0 HA LEU A 109 31.061 -2.081 -16.223 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.304 -4.148 -16.104 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.622 -4.474 -15.738 1.00 0.00 H new ATOM 0 HG LEU A 109 32.724 -3.611 -18.432 1.00 0.00 H new ATOM 0 HD11 LEU A 109 32.051 -5.939 -19.082 1.00 0.00 H new ATOM 0 HD12 LEU A 109 33.253 -5.955 -17.770 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.534 -6.241 -17.406 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.490 -4.059 -19.337 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.880 -4.342 -17.689 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.476 -2.730 -18.153 1.00 0.00 H new ATOM 1624 N GLU A 110 33.477 -2.016 -14.004 1.00 0.00 N ATOM 1625 CA GLU A 110 33.741 -1.750 -12.586 1.00 0.00 C ATOM 1626 C GLU A 110 33.173 -0.388 -12.140 1.00 0.00 C ATOM 1627 O GLU A 110 32.640 -0.277 -11.035 1.00 0.00 O ATOM 1628 CB GLU A 110 35.246 -1.855 -12.310 1.00 0.00 C ATOM 1629 CG GLU A 110 35.539 -2.007 -10.812 1.00 0.00 C ATOM 1630 CD GLU A 110 35.351 -3.467 -10.332 1.00 0.00 C ATOM 1631 OE1 GLU A 110 34.194 -3.907 -10.119 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.366 -4.189 -10.168 1.00 0.00 O ATOM 0 H GLU A 110 34.314 -2.052 -14.586 1.00 0.00 H new ATOM 0 HA GLU A 110 33.225 -2.505 -11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.656 -2.709 -12.849 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.749 -0.966 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 110 36.561 -1.686 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.879 -1.351 -10.245 1.00 0.00 H new ATOM 1639 N VAL A 111 33.174 0.628 -13.008 1.00 0.00 N ATOM 1640 CA VAL A 111 32.504 1.914 -12.722 1.00 0.00 C ATOM 1641 C VAL A 111 30.980 1.767 -12.740 1.00 0.00 C ATOM 1642 O VAL A 111 30.311 2.342 -11.880 1.00 0.00 O ATOM 1643 CB VAL A 111 33.001 3.022 -13.669 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.212 4.328 -13.526 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.467 3.354 -13.362 1.00 0.00 C ATOM 0 H VAL A 111 33.631 0.591 -13.919 1.00 0.00 H new ATOM 0 HA VAL A 111 32.774 2.218 -11.711 1.00 0.00 H new ATOM 0 HB VAL A 111 32.870 2.634 -14.679 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.609 5.070 -14.219 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.162 4.145 -13.752 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.304 4.699 -12.505 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.811 4.138 -14.036 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.554 3.697 -12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.079 2.462 -13.501 1.00 0.00 H new ATOM 1655 N PHE A 112 30.415 0.927 -13.618 1.00 0.00 N ATOM 1656 CA PHE A 112 28.983 0.582 -13.543 1.00 0.00 C ATOM 1657 C PHE A 112 28.651 -0.108 -12.218 1.00 0.00 C ATOM 1658 O PHE A 112 27.732 0.317 -11.525 1.00 0.00 O ATOM 1659 CB PHE A 112 28.573 -0.317 -14.714 1.00 0.00 C ATOM 1660 CG PHE A 112 28.001 0.392 -15.918 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.633 0.723 -15.947 1.00 0.00 C ATOM 1662 CD2 PHE A 112 28.823 0.701 -17.015 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.093 1.379 -17.067 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.285 1.363 -18.130 1.00 0.00 C ATOM 1665 CZ PHE A 112 26.926 1.711 -18.151 1.00 0.00 C ATOM 0 H PHE A 112 30.919 0.476 -14.382 1.00 0.00 H new ATOM 0 HA PHE A 112 28.419 1.513 -13.602 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.446 -0.887 -15.032 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.836 -1.036 -14.355 1.00 0.00 H new ATOM 0 HD1 PHE A 112 25.999 0.473 -15.109 1.00 0.00 H new ATOM 0 HD2 PHE A 112 29.868 0.429 -17.000 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.042 1.627 -17.095 1.00 0.00 H new ATOM 0 HE2 PHE A 112 28.917 1.604 -18.972 1.00 0.00 H new ATOM 0 HZ PHE A 112 26.518 2.236 -19.002 1.00 0.00 H new ATOM 1675 N ARG A 113 29.432 -1.115 -11.820 1.00 0.00 N ATOM 1676 CA ARG A 113 29.295 -1.849 -10.543 1.00 0.00 C ATOM 1677 C ARG A 113 29.433 -0.929 -9.322 1.00 0.00 C ATOM 1678 O ARG A 113 28.658 -1.048 -8.375 1.00 0.00 O ATOM 1679 CB ARG A 113 30.340 -2.983 -10.531 1.00 0.00 C ATOM 1680 CG ARG A 113 29.944 -4.126 -11.487 1.00 0.00 C ATOM 1681 CD ARG A 113 31.128 -4.951 -12.006 1.00 0.00 C ATOM 1682 NE ARG A 113 31.983 -5.458 -10.923 1.00 0.00 N ATOM 1683 CZ ARG A 113 31.932 -6.633 -10.326 1.00 0.00 C ATOM 1684 NH1 ARG A 113 31.018 -7.525 -10.589 1.00 0.00 N ATOM 1685 NH2 ARG A 113 32.831 -6.916 -9.428 1.00 0.00 N ATOM 0 H ARG A 113 30.204 -1.459 -12.390 1.00 0.00 H new ATOM 0 HA ARG A 113 28.292 -2.269 -10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.313 -2.586 -10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.443 -3.373 -9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.250 -4.791 -10.972 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.409 -3.704 -12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.752 -5.791 -12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 113 31.726 -4.337 -12.679 1.00 0.00 H new ATOM 0 HE ARG A 113 32.707 -4.821 -10.591 1.00 0.00 H new ATOM 0 HH11 ARG A 113 30.299 -7.328 -11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 113 31.023 -8.420 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 113 33.555 -6.235 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.811 -7.819 -8.953 1.00 0.00 H new ATOM 1699 N THR A 114 30.332 0.052 -9.395 1.00 0.00 N ATOM 1700 CA THR A 114 30.547 1.073 -8.347 1.00 0.00 C ATOM 1701 C THR A 114 29.313 1.958 -8.145 1.00 0.00 C ATOM 1702 O THR A 114 28.931 2.242 -7.010 1.00 0.00 O ATOM 1703 CB THR A 114 31.782 1.928 -8.691 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.944 1.128 -8.662 1.00 0.00 O ATOM 1705 CG2 THR A 114 32.013 3.086 -7.718 1.00 0.00 C ATOM 0 H THR A 114 30.949 0.169 -10.199 1.00 0.00 H new ATOM 0 HA THR A 114 30.723 0.553 -7.405 1.00 0.00 H new ATOM 0 HB THR A 114 31.587 2.339 -9.682 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.971 0.561 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.898 3.645 -8.021 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.146 3.747 -7.727 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.159 2.692 -6.712 1.00 0.00 H new ATOM 1713 N VAL A 115 28.644 2.364 -9.230 1.00 0.00 N ATOM 1714 CA VAL A 115 27.355 3.086 -9.169 1.00 0.00 C ATOM 1715 C VAL A 115 26.210 2.158 -8.750 1.00 0.00 C ATOM 1716 O VAL A 115 25.476 2.488 -7.823 1.00 0.00 O ATOM 1717 CB VAL A 115 27.101 3.809 -10.509 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.706 4.437 -10.632 1.00 0.00 C ATOM 1719 CG2 VAL A 115 28.117 4.945 -10.665 1.00 0.00 C ATOM 0 H VAL A 115 28.977 2.204 -10.181 1.00 0.00 H new ATOM 0 HA VAL A 115 27.404 3.850 -8.393 1.00 0.00 H new ATOM 0 HB VAL A 115 27.192 3.043 -11.279 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.611 4.924 -11.602 1.00 0.00 H new ATOM 0 HG12 VAL A 115 24.948 3.659 -10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.568 5.174 -9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 115 27.944 5.461 -11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 115 28.004 5.650 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.127 4.534 -10.656 1.00 0.00 H new ATOM 1729 N ARG A 116 26.087 0.978 -9.371 1.00 0.00 N ATOM 1730 CA ARG A 116 25.034 -0.040 -9.132 1.00 0.00 C ATOM 1731 C ARG A 116 24.859 -0.345 -7.645 1.00 0.00 C ATOM 1732 O ARG A 116 23.754 -0.246 -7.136 1.00 0.00 O ATOM 1733 CB ARG A 116 25.396 -1.313 -9.944 1.00 0.00 C ATOM 1734 CG ARG A 116 24.304 -2.400 -9.963 1.00 0.00 C ATOM 1735 CD ARG A 116 24.803 -3.752 -10.475 1.00 0.00 C ATOM 1736 NE ARG A 116 25.744 -4.388 -9.522 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.631 -5.326 -9.805 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.680 -5.866 -10.981 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.499 -5.720 -8.921 1.00 0.00 N ATOM 0 H ARG A 116 26.747 0.685 -10.091 1.00 0.00 H new ATOM 0 HA ARG A 116 24.072 0.347 -9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.616 -1.021 -10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.309 -1.742 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.908 -2.525 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.478 -2.064 -10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.953 -4.413 -10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.296 -3.617 -11.437 1.00 0.00 H new ATOM 0 HE ARG A 116 25.703 -4.071 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 116 26.027 -5.569 -11.706 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.371 -6.589 -11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.503 -5.304 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.176 -6.445 -9.159 1.00 0.00 H new ATOM 1753 N GLY A 117 25.950 -0.650 -6.946 1.00 0.00 N ATOM 1754 CA GLY A 117 25.938 -0.990 -5.512 1.00 0.00 C ATOM 1755 C GLY A 117 25.418 0.138 -4.611 1.00 0.00 C ATOM 1756 O GLY A 117 24.675 -0.116 -3.664 1.00 0.00 O ATOM 0 H GLY A 117 26.883 -0.670 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.319 -1.875 -5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 117 26.950 -1.252 -5.202 1.00 0.00 H new ATOM 1760 N GLN A 118 25.723 1.397 -4.945 1.00 0.00 N ATOM 1761 CA GLN A 118 25.243 2.560 -4.186 1.00 0.00 C ATOM 1762 C GLN A 118 23.772 2.864 -4.497 1.00 0.00 C ATOM 1763 O GLN A 118 22.975 2.972 -3.572 1.00 0.00 O ATOM 1764 CB GLN A 118 26.173 3.763 -4.411 1.00 0.00 C ATOM 1765 CG GLN A 118 27.561 3.501 -3.792 1.00 0.00 C ATOM 1766 CD GLN A 118 28.565 4.601 -4.123 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.741 5.567 -3.392 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.265 4.496 -5.233 1.00 0.00 N ATOM 0 H GLN A 118 26.307 1.639 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 118 25.277 2.327 -3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.276 3.955 -5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.734 4.657 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.463 3.417 -2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.942 2.545 -4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.126 3.695 -5.849 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.946 5.215 -5.477 1.00 0.00 H new ATOM 1777 N VAL A 119 23.364 2.897 -5.774 1.00 0.00 N ATOM 1778 CA VAL A 119 21.935 3.035 -6.153 1.00 0.00 C ATOM 1779 C VAL A 119 21.080 1.910 -5.534 1.00 0.00 C ATOM 1780 O VAL A 119 19.999 2.174 -5.008 1.00 0.00 O ATOM 1781 CB VAL A 119 21.752 3.090 -7.686 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.298 3.361 -8.085 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.557 4.217 -8.340 1.00 0.00 C ATOM 0 H VAL A 119 23.999 2.830 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 119 21.585 3.984 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 119 22.092 2.112 -8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.218 3.391 -9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.660 2.567 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.980 4.318 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.389 4.206 -9.417 1.00 0.00 H new ATOM 0 HG22 VAL A 119 22.238 5.176 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.618 4.072 -8.137 1.00 0.00 H new ATOM 1793 N LYS A 120 21.596 0.672 -5.511 1.00 0.00 N ATOM 1794 CA LYS A 120 20.974 -0.480 -4.835 1.00 0.00 C ATOM 1795 C LYS A 120 20.779 -0.228 -3.344 1.00 0.00 C ATOM 1796 O LYS A 120 19.650 -0.310 -2.868 1.00 0.00 O ATOM 1797 CB LYS A 120 21.819 -1.739 -5.090 1.00 0.00 C ATOM 1798 CG LYS A 120 21.189 -2.956 -4.405 1.00 0.00 C ATOM 1799 CD LYS A 120 21.879 -4.273 -4.773 1.00 0.00 C ATOM 1800 CE LYS A 120 21.237 -5.409 -3.963 1.00 0.00 C ATOM 1801 NZ LYS A 120 21.821 -5.553 -2.595 1.00 0.00 N ATOM 0 H LYS A 120 22.476 0.437 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 120 19.978 -0.631 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.900 -1.919 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.831 -1.587 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.231 -2.820 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.136 -3.015 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 120 21.778 -4.467 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.946 -4.213 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.166 -5.226 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 120 21.358 -6.347 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.658 -6.520 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.843 -5.367 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 21.369 -4.873 -1.951 1.00 0.00 H new ATOM 1815 N GLU A 121 21.843 0.106 -2.611 1.00 0.00 N ATOM 1816 CA GLU A 121 21.725 0.307 -1.161 1.00 0.00 C ATOM 1817 C GLU A 121 20.824 1.489 -0.833 1.00 0.00 C ATOM 1818 O GLU A 121 20.022 1.371 0.085 1.00 0.00 O ATOM 1819 CB GLU A 121 23.099 0.348 -0.464 1.00 0.00 C ATOM 1820 CG GLU A 121 23.704 1.732 -0.179 1.00 0.00 C ATOM 1821 CD GLU A 121 23.194 2.339 1.146 1.00 0.00 C ATOM 1822 OE1 GLU A 121 23.509 1.801 2.236 1.00 0.00 O ATOM 1823 OE2 GLU A 121 22.509 3.387 1.105 1.00 0.00 O ATOM 0 H GLU A 121 22.782 0.242 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 121 21.227 -0.567 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.013 -0.184 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.806 -0.209 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 121 24.790 1.650 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.463 2.407 -1.001 1.00 0.00 H new ATOM 1830 N ARG A 122 20.836 2.562 -1.636 1.00 0.00 N ATOM 1831 CA ARG A 122 19.927 3.691 -1.440 1.00 0.00 C ATOM 1832 C ARG A 122 18.471 3.244 -1.566 1.00 0.00 C ATOM 1833 O ARG A 122 17.683 3.552 -0.676 1.00 0.00 O ATOM 1834 CB ARG A 122 20.255 4.828 -2.423 1.00 0.00 C ATOM 1835 CG ARG A 122 21.611 5.537 -2.247 1.00 0.00 C ATOM 1836 CD ARG A 122 21.662 6.558 -1.108 1.00 0.00 C ATOM 1837 NE ARG A 122 21.737 5.900 0.211 1.00 0.00 N ATOM 1838 CZ ARG A 122 21.547 6.424 1.407 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.171 7.657 1.593 1.00 0.00 N ATOM 1840 NH2 ARG A 122 21.741 5.663 2.439 1.00 0.00 N ATOM 0 H ARG A 122 21.469 2.668 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 122 20.066 4.075 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.213 4.424 -3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.468 5.579 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.379 4.783 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.864 6.042 -3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 122 22.527 7.208 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 122 20.777 7.193 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 122 21.967 4.906 0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 122 21.009 8.267 0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.038 8.012 2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 122 22.031 4.694 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 122 21.604 6.034 3.379 1.00 0.00 H new ATOM 1854 N VAL A 123 18.122 2.430 -2.566 1.00 0.00 N ATOM 1855 CA VAL A 123 16.795 1.796 -2.647 1.00 0.00 C ATOM 1856 C VAL A 123 16.495 0.874 -1.466 1.00 0.00 C ATOM 1857 O VAL A 123 15.438 1.034 -0.860 1.00 0.00 O ATOM 1858 CB VAL A 123 16.618 1.073 -3.995 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.419 0.125 -4.012 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.462 2.091 -5.126 1.00 0.00 C ATOM 0 H VAL A 123 18.743 2.191 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 123 16.059 2.598 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 123 17.517 0.473 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.348 -0.354 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.546 -0.637 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.507 0.689 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.338 1.566 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.587 2.713 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.350 2.721 -5.174 1.00 0.00 H new ATOM 1870 N GLU A 124 17.370 -0.063 -1.089 1.00 0.00 N ATOM 1871 CA GLU A 124 17.102 -0.936 0.072 1.00 0.00 C ATOM 1872 C GLU A 124 16.916 -0.154 1.374 1.00 0.00 C ATOM 1873 O GLU A 124 16.064 -0.503 2.194 1.00 0.00 O ATOM 1874 CB GLU A 124 18.203 -1.985 0.247 1.00 0.00 C ATOM 1875 CG GLU A 124 18.327 -2.930 -0.938 1.00 0.00 C ATOM 1876 CD GLU A 124 19.419 -3.976 -0.651 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.611 -3.713 -0.943 1.00 0.00 O ATOM 1878 OE2 GLU A 124 19.100 -5.077 -0.142 1.00 0.00 O ATOM 0 H GLU A 124 18.258 -0.240 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 124 16.160 -1.440 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.156 -1.479 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.002 -2.566 1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.374 -3.426 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.574 -2.369 -1.839 1.00 0.00 H new ATOM 1885 N ASN A 125 17.639 0.956 1.528 1.00 0.00 N ATOM 1886 CA ASN A 125 17.504 1.821 2.690 1.00 0.00 C ATOM 1887 C ASN A 125 16.210 2.656 2.657 1.00 0.00 C ATOM 1888 O ASN A 125 15.680 3.006 3.708 1.00 0.00 O ATOM 1889 CB ASN A 125 18.802 2.636 2.893 1.00 0.00 C ATOM 1890 CG ASN A 125 18.610 4.142 2.908 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.604 4.789 3.945 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.437 4.731 1.750 1.00 0.00 N ATOM 0 H ASN A 125 18.331 1.276 0.851 1.00 0.00 H new ATOM 0 HA ASN A 125 17.384 1.206 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.262 2.333 3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.503 2.381 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.295 5.740 1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.444 4.180 0.892 1.00 0.00 H new ATOM 1899 N LEU A 126 15.677 2.935 1.463 1.00 0.00 N ATOM 1900 CA LEU A 126 14.419 3.648 1.268 1.00 0.00 C ATOM 1901 C LEU A 126 13.208 2.734 1.469 1.00 0.00 C ATOM 1902 O LEU A 126 12.303 3.094 2.215 1.00 0.00 O ATOM 1903 CB LEU A 126 14.445 4.300 -0.129 1.00 0.00 C ATOM 1904 CG LEU A 126 13.124 4.962 -0.558 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.704 6.096 0.375 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.292 5.516 -1.970 1.00 0.00 C ATOM 0 H LEU A 126 16.122 2.663 0.587 1.00 0.00 H new ATOM 0 HA LEU A 126 14.316 4.428 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.235 5.051 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.709 3.540 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 126 12.343 4.202 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.766 6.527 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.570 5.706 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.476 6.865 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.363 5.989 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.095 6.253 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.538 4.703 -2.653 1.00 0.00 H new ATOM 1918 N ILE A 127 13.169 1.544 0.856 1.00 0.00 N ATOM 1919 CA ILE A 127 11.979 0.672 0.966 1.00 0.00 C ATOM 1920 C ILE A 127 11.727 0.201 2.395 1.00 0.00 C ATOM 1921 O ILE A 127 10.575 0.033 2.777 1.00 0.00 O ATOM 1922 CB ILE A 127 12.007 -0.511 -0.025 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.178 -1.495 0.206 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.958 0.049 -1.459 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.436 -2.495 -0.926 1.00 0.00 C ATOM 0 H ILE A 127 13.927 1.164 0.289 1.00 0.00 H new ATOM 0 HA ILE A 127 11.133 1.297 0.682 1.00 0.00 H new ATOM 0 HB ILE A 127 11.125 -1.127 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 127 14.087 -0.917 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.985 -2.053 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.977 -0.775 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.042 0.624 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.820 0.694 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.277 -3.136 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.548 -3.107 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.667 -1.954 -1.844 1.00 0.00 H new ATOM 1937 N ALA A 128 12.770 0.087 3.218 1.00 0.00 N ATOM 1938 CA ALA A 128 12.600 -0.234 4.632 1.00 0.00 C ATOM 1939 C ALA A 128 11.921 0.901 5.440 1.00 0.00 C ATOM 1940 O ALA A 128 11.340 0.636 6.496 1.00 0.00 O ATOM 1941 CB ALA A 128 13.977 -0.605 5.196 1.00 0.00 C ATOM 0 H ALA A 128 13.740 0.212 2.928 1.00 0.00 H new ATOM 0 HA ALA A 128 11.916 -1.077 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.883 -0.851 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.371 -1.467 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.658 0.238 5.079 1.00 0.00 H new ATOM 1947 N LYS A 129 11.955 2.153 4.939 1.00 0.00 N ATOM 1948 CA LYS A 129 11.294 3.329 5.540 1.00 0.00 C ATOM 1949 C LYS A 129 9.844 3.511 5.073 1.00 0.00 C ATOM 1950 O LYS A 129 8.976 3.797 5.900 1.00 0.00 O ATOM 1951 CB LYS A 129 12.095 4.612 5.237 1.00 0.00 C ATOM 1952 CG LYS A 129 13.498 4.614 5.861 1.00 0.00 C ATOM 1953 CD LYS A 129 14.264 5.879 5.439 1.00 0.00 C ATOM 1954 CE LYS A 129 15.739 5.874 5.868 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.914 5.965 7.346 1.00 0.00 N ATOM 0 H LYS A 129 12.457 2.380 4.081 1.00 0.00 H new ATOM 0 HA LYS A 129 11.268 3.147 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.185 4.729 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.540 5.474 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.421 4.572 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.046 3.726 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.209 5.983 4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.772 6.752 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.214 4.962 5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.253 6.710 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.928 5.957 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.487 6.848 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.449 5.153 7.801 1.00 0.00 H new ATOM 1969 N ILE A 130 9.582 3.366 3.764 1.00 0.00 N ATOM 1970 CA ILE A 130 8.282 3.727 3.144 1.00 0.00 C ATOM 1971 C ILE A 130 7.359 2.557 2.748 1.00 0.00 C ATOM 1972 O ILE A 130 6.291 2.798 2.189 1.00 0.00 O ATOM 1973 CB ILE A 130 8.442 4.814 2.048 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.432 4.501 0.912 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.880 6.135 2.695 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.084 3.260 0.096 1.00 0.00 C ATOM 0 H ILE A 130 10.261 2.996 3.099 1.00 0.00 H new ATOM 0 HA ILE A 130 7.715 4.177 3.959 1.00 0.00 H new ATOM 0 HB ILE A 130 7.457 4.865 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.480 5.359 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.427 4.373 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.992 6.898 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.127 6.455 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.832 5.992 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.833 3.114 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.065 2.388 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 130 8.104 3.390 -0.364 1.00 0.00 H new ATOM 1988 N SER A 131 7.726 1.304 3.050 1.00 0.00 N ATOM 1989 CA SER A 131 6.837 0.126 2.921 1.00 0.00 C ATOM 1990 C SER A 131 5.537 0.296 3.727 1.00 0.00 C ATOM 1991 O SER A 131 4.445 0.121 3.137 1.00 0.00 O ATOM 1992 CB SER A 131 7.599 -1.112 3.376 1.00 0.00 C ATOM 1993 OG SER A 131 6.877 -2.308 3.121 1.00 0.00 O ATOM 1994 OXT SER A 131 5.605 0.597 4.944 1.00 0.00 O ATOM 0 H SER A 131 8.657 1.070 3.395 1.00 0.00 H new ATOM 0 HA SER A 131 6.543 0.019 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.561 -1.154 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.809 -1.036 4.443 1.00 0.00 H new ATOM 0 HG SER A 131 6.658 -2.745 3.970 1.00 0.00 H new