USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 500 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 NoAdj-H: A 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 107 HIS : no HD1:sc= -16! C(o=-16!,f=-20!) USER MOD Set 1.2: A 109 TYR OH : rot 130:sc= 0.542 USER MOD Set 1.3: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 131 LYS NZ :NH3+ -166:sc= 0.0435 (180deg=0) USER MOD Set 1.5: A 138 ASN : amide:sc= -0.62 K(o=-16,f=-21!) USER MOD Set 2.1: A 103 LYS NZ :NH3+ 169:sc= 0.839 (180deg=0) USER MOD Set 2.2: A 134 CYS SG : rot 48:sc= -5.43! USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.713 USER MOD Single : A 100 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.052) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 13:sc= 1.14 USER MOD Single : A 117 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-6.1!) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 123 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 127 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.022) USER MOD Single : A 128 GLN : amide:sc= -7.77! C(o=-7.8!,f=-15!) USER MOD Single : A 130 MET CE :methyl -136:sc= -0.304 (180deg=-1.94!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 144:sc= -1.68 (180deg=-4.36!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 70:sc= -0.159! USER MOD Single : A 155 HIS : no HD1:sc= -0.0017 X(o=-0.0017,f=-0.11) USER MOD Single : A 156 THR OG1 : rot 43:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -16.197 16.381 -8.278 1.00 0.00 N ATOM 2 CA GLN A 94 -16.042 17.831 -8.584 1.00 0.00 C ATOM 3 C GLN A 94 -15.132 18.001 -9.803 1.00 0.00 C ATOM 4 O GLN A 94 -15.548 18.487 -10.836 1.00 0.00 O ATOM 5 CB GLN A 94 -15.420 18.542 -7.381 1.00 0.00 C ATOM 6 CG GLN A 94 -16.423 18.563 -6.225 1.00 0.00 C ATOM 7 CD GLN A 94 -15.846 17.796 -5.035 1.00 0.00 C ATOM 8 OE1 GLN A 94 -15.938 16.586 -4.974 1.00 0.00 O ATOM 9 NE2 GLN A 94 -15.251 18.453 -4.077 1.00 0.00 N ATOM 0 HA GLN A 94 -17.019 18.264 -8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -14.507 18.031 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -15.140 19.560 -7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.641 19.592 -5.937 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.365 18.113 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.173 19.469 -4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -14.864 17.951 -3.278 1.00 0.00 H new ATOM 20 N THR A 95 -13.894 17.604 -9.691 1.00 0.00 N ATOM 21 CA THR A 95 -12.961 17.742 -10.844 1.00 0.00 C ATOM 22 C THR A 95 -12.766 16.377 -11.508 1.00 0.00 C ATOM 23 O THR A 95 -12.827 16.250 -12.715 1.00 0.00 O ATOM 24 CB THR A 95 -11.611 18.266 -10.347 1.00 0.00 C ATOM 25 OG1 THR A 95 -10.990 17.277 -9.539 1.00 0.00 O ATOM 26 CG2 THR A 95 -11.826 19.539 -9.527 1.00 0.00 C ATOM 0 H THR A 95 -13.489 17.190 -8.851 1.00 0.00 H new ATOM 0 HA THR A 95 -13.378 18.442 -11.568 1.00 0.00 H new ATOM 0 HB THR A 95 -10.971 18.492 -11.200 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.585 16.593 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.864 19.911 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.302 20.297 -10.150 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.465 19.318 -8.672 1.00 0.00 H new ATOM 34 N ASP A 96 -12.532 15.356 -10.730 1.00 0.00 N ATOM 35 CA ASP A 96 -12.335 14.002 -11.318 1.00 0.00 C ATOM 36 C ASP A 96 -12.020 13.003 -10.203 1.00 0.00 C ATOM 37 O ASP A 96 -10.896 12.569 -10.043 1.00 0.00 O ATOM 38 CB ASP A 96 -11.171 14.040 -12.311 1.00 0.00 C ATOM 39 CG ASP A 96 -9.938 14.634 -11.629 1.00 0.00 C ATOM 40 OD1 ASP A 96 -10.019 14.923 -10.447 1.00 0.00 O ATOM 41 OD2 ASP A 96 -8.931 14.790 -12.301 1.00 0.00 O ATOM 0 H ASP A 96 -12.469 15.401 -9.713 1.00 0.00 H new ATOM 0 HA ASP A 96 -13.244 13.696 -11.836 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.952 13.034 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.441 14.637 -13.182 1.00 0.00 H new ATOM 46 N ASP A 97 -13.004 12.635 -9.428 1.00 0.00 N ATOM 47 CA ASP A 97 -12.759 11.665 -8.323 1.00 0.00 C ATOM 48 C ASP A 97 -11.937 10.485 -8.853 1.00 0.00 C ATOM 49 O ASP A 97 -12.084 10.094 -9.994 1.00 0.00 O ATOM 50 CB ASP A 97 -14.099 11.152 -7.789 1.00 0.00 C ATOM 51 CG ASP A 97 -14.993 12.339 -7.427 1.00 0.00 C ATOM 52 OD1 ASP A 97 -14.465 13.431 -7.284 1.00 0.00 O ATOM 53 OD2 ASP A 97 -16.189 12.138 -7.297 1.00 0.00 O ATOM 0 H ASP A 97 -13.966 12.964 -9.512 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.212 12.159 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -14.588 10.531 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -13.937 10.525 -6.912 1.00 0.00 H new ATOM 58 N PRO A 98 -11.093 9.956 -8.005 1.00 0.00 N ATOM 59 CA PRO A 98 -10.226 8.816 -8.354 1.00 0.00 C ATOM 60 C PRO A 98 -11.021 7.508 -8.312 1.00 0.00 C ATOM 61 O PRO A 98 -12.229 7.508 -8.180 1.00 0.00 O ATOM 62 CB PRO A 98 -9.150 8.837 -7.265 1.00 0.00 C ATOM 63 CG PRO A 98 -9.761 9.597 -6.063 1.00 0.00 C ATOM 64 CD PRO A 98 -10.922 10.442 -6.620 1.00 0.00 C ATOM 0 HA PRO A 98 -9.809 8.885 -9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.866 7.824 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -8.247 9.334 -7.620 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.118 8.900 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.014 10.232 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -11.831 10.304 -6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.687 11.506 -6.598 1.00 0.00 H new ATOM 72 N ARG A 99 -10.351 6.393 -8.420 1.00 0.00 N ATOM 73 CA ARG A 99 -11.067 5.087 -8.385 1.00 0.00 C ATOM 74 C ARG A 99 -10.708 4.350 -7.091 1.00 0.00 C ATOM 75 O ARG A 99 -10.528 4.954 -6.053 1.00 0.00 O ATOM 76 CB ARG A 99 -10.647 4.245 -9.592 1.00 0.00 C ATOM 77 CG ARG A 99 -11.828 3.390 -10.053 1.00 0.00 C ATOM 78 CD ARG A 99 -11.306 2.116 -10.722 1.00 0.00 C ATOM 79 NE ARG A 99 -11.482 2.223 -12.197 1.00 0.00 N ATOM 80 CZ ARG A 99 -11.937 1.206 -12.875 1.00 0.00 C ATOM 81 NH1 ARG A 99 -13.033 0.607 -12.496 1.00 0.00 N ATOM 82 NH2 ARG A 99 -11.298 0.789 -13.933 1.00 0.00 N ATOM 0 H ARG A 99 -9.339 6.330 -8.531 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.143 5.255 -8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.315 4.893 -10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.804 3.607 -9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.459 3.134 -9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.447 3.953 -10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.253 1.970 -10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.843 1.247 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.247 3.092 -12.677 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.534 0.934 -11.670 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.389 -0.188 -13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.442 1.258 -14.230 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.654 -0.006 -14.463 1.00 0.00 H new ATOM 96 N ASN A 100 -10.600 3.048 -7.141 1.00 0.00 N ATOM 97 CA ASN A 100 -10.252 2.283 -5.912 1.00 0.00 C ATOM 98 C ASN A 100 -8.734 2.297 -5.719 1.00 0.00 C ATOM 99 O ASN A 100 -8.067 1.296 -5.893 1.00 0.00 O ATOM 100 CB ASN A 100 -10.734 0.838 -6.056 1.00 0.00 C ATOM 101 CG ASN A 100 -12.059 0.816 -6.820 1.00 0.00 C ATOM 102 OD1 ASN A 100 -12.205 0.093 -7.785 1.00 0.00 O ATOM 103 ND2 ASN A 100 -13.038 1.584 -6.426 1.00 0.00 N ATOM 0 H ASN A 100 -10.738 2.484 -7.980 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.734 2.742 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -9.987 0.245 -6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.862 0.386 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -13.926 1.577 -6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -12.915 2.191 -5.616 1.00 0.00 H new ATOM 110 N LYS A 101 -8.182 3.424 -5.361 1.00 0.00 N ATOM 111 CA LYS A 101 -6.709 3.500 -5.158 1.00 0.00 C ATOM 112 C LYS A 101 -6.361 3.009 -3.753 1.00 0.00 C ATOM 113 O LYS A 101 -7.226 2.813 -2.921 1.00 0.00 O ATOM 114 CB LYS A 101 -6.246 4.948 -5.321 1.00 0.00 C ATOM 115 CG LYS A 101 -6.298 5.337 -6.800 1.00 0.00 C ATOM 116 CD LYS A 101 -5.479 6.611 -7.021 1.00 0.00 C ATOM 117 CE LYS A 101 -4.486 6.386 -8.162 1.00 0.00 C ATOM 118 NZ LYS A 101 -3.833 7.679 -8.514 1.00 0.00 N ATOM 0 H LYS A 101 -8.688 4.295 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.208 2.873 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.882 5.612 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.231 5.062 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.904 4.527 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.331 5.498 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.140 7.445 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.946 6.877 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.734 5.655 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.001 5.978 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.157 7.527 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.557 8.363 -8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.329 8.051 -7.684 1.00 0.00 H new ATOM 132 N HIS A 102 -5.102 2.809 -3.479 1.00 0.00 N ATOM 133 CA HIS A 102 -4.700 2.332 -2.125 1.00 0.00 C ATOM 134 C HIS A 102 -4.318 3.529 -1.255 1.00 0.00 C ATOM 135 O HIS A 102 -3.823 4.528 -1.738 1.00 0.00 O ATOM 136 CB HIS A 102 -3.491 1.401 -2.245 1.00 0.00 C ATOM 137 CG HIS A 102 -3.869 0.176 -3.031 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.572 -0.877 -2.469 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.638 -0.179 -4.337 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.740 -1.808 -3.426 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.190 -1.433 -4.584 1.00 0.00 N ATOM 0 H HIS A 102 -4.334 2.955 -4.134 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.534 1.796 -1.673 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.668 1.920 -2.736 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.141 1.115 -1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.109 0.422 -5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.257 -2.744 -3.276 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.177 -1.954 -5.461 1.00 0.00 H new ATOM 148 N LYS A 103 -4.528 3.430 0.027 1.00 0.00 N ATOM 149 CA LYS A 103 -4.161 4.555 0.928 1.00 0.00 C ATOM 150 C LYS A 103 -2.716 4.358 1.384 1.00 0.00 C ATOM 151 O LYS A 103 -2.403 4.451 2.554 1.00 0.00 O ATOM 152 CB LYS A 103 -5.089 4.563 2.145 1.00 0.00 C ATOM 153 CG LYS A 103 -6.224 5.562 1.914 1.00 0.00 C ATOM 154 CD LYS A 103 -7.570 4.868 2.136 1.00 0.00 C ATOM 155 CE LYS A 103 -7.907 4.004 0.920 1.00 0.00 C ATOM 156 NZ LYS A 103 -9.370 3.724 0.900 1.00 0.00 N ATOM 0 H LYS A 103 -4.938 2.618 0.489 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.261 5.504 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.496 3.566 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.529 4.833 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.122 6.407 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.171 5.960 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.529 4.251 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.352 5.611 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.611 4.515 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.347 3.069 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.630 3.300 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.608 3.064 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.895 4.612 1.032 1.00 0.00 H new ATOM 170 N PHE A 104 -1.837 4.071 0.459 1.00 0.00 N ATOM 171 CA PHE A 104 -0.407 3.849 0.812 1.00 0.00 C ATOM 172 C PHE A 104 0.030 4.849 1.883 1.00 0.00 C ATOM 173 O PHE A 104 -0.352 6.002 1.866 1.00 0.00 O ATOM 174 CB PHE A 104 0.459 4.034 -0.435 1.00 0.00 C ATOM 175 CG PHE A 104 0.262 2.862 -1.366 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.542 1.562 -0.925 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.201 3.075 -2.672 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.360 0.474 -1.789 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.382 1.987 -3.537 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.102 0.687 -3.095 1.00 0.00 C ATOM 0 H PHE A 104 -2.053 3.981 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.289 2.836 1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.193 4.962 -0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.509 4.115 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.898 1.398 0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.418 4.077 -3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.576 -0.528 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.737 2.151 -4.544 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.242 -0.151 -3.761 1.00 0.00 H new ATOM 190 N ARG A 105 0.833 4.411 2.814 1.00 0.00 N ATOM 191 CA ARG A 105 1.302 5.330 3.885 1.00 0.00 C ATOM 192 C ARG A 105 2.757 5.003 4.226 1.00 0.00 C ATOM 193 O ARG A 105 3.040 4.054 4.929 1.00 0.00 O ATOM 194 CB ARG A 105 0.432 5.147 5.131 1.00 0.00 C ATOM 195 CG ARG A 105 0.207 6.503 5.802 1.00 0.00 C ATOM 196 CD ARG A 105 -1.205 7.002 5.489 1.00 0.00 C ATOM 197 NE ARG A 105 -1.122 8.212 4.623 1.00 0.00 N ATOM 198 CZ ARG A 105 -2.161 8.990 4.487 1.00 0.00 C ATOM 199 NH1 ARG A 105 -3.281 8.507 4.024 1.00 0.00 N ATOM 200 NH2 ARG A 105 -2.079 10.251 4.815 1.00 0.00 N ATOM 0 H ARG A 105 1.184 3.455 2.878 1.00 0.00 H new ATOM 0 HA ARG A 105 1.229 6.362 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.525 4.702 4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.915 4.461 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.341 6.414 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.945 7.223 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.776 6.221 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.732 7.238 6.413 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.253 8.432 4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.344 7.522 3.768 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.093 9.115 3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.203 10.628 5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.891 10.859 4.709 1.00 0.00 H new ATOM 214 N LEU A 106 3.682 5.781 3.734 1.00 0.00 N ATOM 215 CA LEU A 106 5.112 5.509 4.034 1.00 0.00 C ATOM 216 C LEU A 106 5.274 5.327 5.544 1.00 0.00 C ATOM 217 O LEU A 106 4.864 6.159 6.329 1.00 0.00 O ATOM 218 CB LEU A 106 5.967 6.685 3.553 1.00 0.00 C ATOM 219 CG LEU A 106 5.763 7.882 4.478 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.589 9.068 3.977 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.283 8.268 4.500 1.00 0.00 C ATOM 0 H LEU A 106 3.508 6.591 3.139 1.00 0.00 H new ATOM 0 HA LEU A 106 5.436 4.604 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.019 6.400 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.694 6.952 2.532 1.00 0.00 H new ATOM 0 HG LEU A 106 6.085 7.615 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.441 9.921 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.645 8.797 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.271 9.333 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.140 9.123 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.960 8.530 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.693 7.426 4.862 1.00 0.00 H new ATOM 233 N HIS A 107 5.853 4.235 5.959 1.00 0.00 N ATOM 234 CA HIS A 107 6.026 3.993 7.419 1.00 0.00 C ATOM 235 C HIS A 107 7.511 4.047 7.784 1.00 0.00 C ATOM 236 O HIS A 107 8.374 3.915 6.938 1.00 0.00 O ATOM 237 CB HIS A 107 5.462 2.616 7.773 1.00 0.00 C ATOM 238 CG HIS A 107 5.917 1.611 6.751 1.00 0.00 C ATOM 239 ND1 HIS A 107 5.022 0.868 5.998 1.00 0.00 N ATOM 240 CD2 HIS A 107 7.168 1.216 6.346 1.00 0.00 C ATOM 241 CE1 HIS A 107 5.741 0.071 5.185 1.00 0.00 C ATOM 242 NE2 HIS A 107 7.055 0.243 5.358 1.00 0.00 N ATOM 0 H HIS A 107 6.214 3.500 5.351 1.00 0.00 H new ATOM 0 HA HIS A 107 5.494 4.763 7.978 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.797 2.318 8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.373 2.654 7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.099 1.602 6.735 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.309 -0.623 4.479 1.00 0.00 H new ATOM 0 HE2 HIS A 107 7.812 -0.236 4.871 1.00 0.00 H new ATOM 250 N SER A 108 7.813 4.240 9.039 1.00 0.00 N ATOM 251 CA SER A 108 9.239 4.303 9.464 1.00 0.00 C ATOM 252 C SER A 108 9.595 3.038 10.252 1.00 0.00 C ATOM 253 O SER A 108 9.463 2.991 11.459 1.00 0.00 O ATOM 254 CB SER A 108 9.452 5.531 10.350 1.00 0.00 C ATOM 255 OG SER A 108 8.590 6.576 9.918 1.00 0.00 O ATOM 0 H SER A 108 7.132 4.357 9.789 1.00 0.00 H new ATOM 0 HA SER A 108 9.877 4.374 8.583 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.248 5.282 11.391 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.491 5.856 10.298 1.00 0.00 H new ATOM 0 HG SER A 108 8.722 7.365 10.485 1.00 0.00 H new ATOM 261 N TYR A 109 10.046 2.015 9.579 1.00 0.00 N ATOM 262 CA TYR A 109 10.409 0.756 10.291 1.00 0.00 C ATOM 263 C TYR A 109 11.928 0.691 10.468 1.00 0.00 C ATOM 264 O TYR A 109 12.482 -0.346 10.775 1.00 0.00 O ATOM 265 CB TYR A 109 9.939 -0.450 9.476 1.00 0.00 C ATOM 266 CG TYR A 109 8.443 -0.381 9.274 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.639 0.320 10.186 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.855 -1.020 8.174 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.252 0.381 9.996 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.469 -0.959 7.985 1.00 0.00 C ATOM 271 CZ TYR A 109 5.667 -0.259 8.895 1.00 0.00 C ATOM 272 OH TYR A 109 4.301 -0.198 8.709 1.00 0.00 O ATOM 0 H TYR A 109 10.179 1.996 8.568 1.00 0.00 H new ATOM 0 HA TYR A 109 9.927 0.741 11.268 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.445 -0.467 8.511 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.203 -1.374 9.991 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.090 0.813 11.035 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.472 -1.560 7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.634 0.921 10.698 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.018 -1.452 7.137 1.00 0.00 H new ATOM 0 HH TYR A 109 4.108 0.075 7.788 1.00 0.00 H new ATOM 282 N SER A 110 12.605 1.790 10.275 1.00 0.00 N ATOM 283 CA SER A 110 14.087 1.787 10.431 1.00 0.00 C ATOM 284 C SER A 110 14.708 0.858 9.386 1.00 0.00 C ATOM 285 O SER A 110 15.874 0.522 9.452 1.00 0.00 O ATOM 286 CB SER A 110 14.450 1.294 11.832 1.00 0.00 C ATOM 287 OG SER A 110 13.777 2.090 12.799 1.00 0.00 O ATOM 0 H SER A 110 12.197 2.688 10.016 1.00 0.00 H new ATOM 0 HA SER A 110 14.470 2.798 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.168 0.247 11.946 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.528 1.352 11.983 1.00 0.00 H new ATOM 0 HG SER A 110 14.006 1.775 13.698 1.00 0.00 H new ATOM 293 N SER A 111 13.935 0.439 8.420 1.00 0.00 N ATOM 294 CA SER A 111 14.476 -0.467 7.369 1.00 0.00 C ATOM 295 C SER A 111 13.457 -0.588 6.233 1.00 0.00 C ATOM 296 O SER A 111 12.267 -0.506 6.459 1.00 0.00 O ATOM 297 CB SER A 111 14.732 -1.849 7.972 1.00 0.00 C ATOM 298 OG SER A 111 16.000 -1.852 8.617 1.00 0.00 O ATOM 0 H SER A 111 12.951 0.686 8.314 1.00 0.00 H new ATOM 0 HA SER A 111 15.410 -0.061 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.947 -2.098 8.686 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.706 -2.610 7.192 1.00 0.00 H new ATOM 0 HG SER A 111 16.326 -0.932 8.702 1.00 0.00 H new ATOM 304 N PRO A 112 13.960 -0.778 5.039 1.00 0.00 N ATOM 305 CA PRO A 112 13.119 -0.913 3.839 1.00 0.00 C ATOM 306 C PRO A 112 12.501 -2.311 3.764 1.00 0.00 C ATOM 307 O PRO A 112 13.186 -3.310 3.853 1.00 0.00 O ATOM 308 CB PRO A 112 14.097 -0.679 2.685 1.00 0.00 C ATOM 309 CG PRO A 112 15.509 -0.983 3.242 1.00 0.00 C ATOM 310 CD PRO A 112 15.410 -0.875 4.777 1.00 0.00 C ATOM 0 HA PRO A 112 12.280 -0.217 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.864 -1.328 1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 112 14.034 0.348 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.837 -1.979 2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.240 -0.276 2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.846 -1.746 5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.942 0.000 5.150 1.00 0.00 H new ATOM 318 N THR A 113 11.210 -2.384 3.595 1.00 0.00 N ATOM 319 CA THR A 113 10.539 -3.709 3.508 1.00 0.00 C ATOM 320 C THR A 113 10.514 -4.160 2.051 1.00 0.00 C ATOM 321 O THR A 113 10.961 -3.459 1.167 1.00 0.00 O ATOM 322 CB THR A 113 9.106 -3.592 4.032 1.00 0.00 C ATOM 323 OG1 THR A 113 9.048 -2.578 5.025 1.00 0.00 O ATOM 324 CG2 THR A 113 8.670 -4.928 4.636 1.00 0.00 C ATOM 0 H THR A 113 10.589 -1.579 3.513 1.00 0.00 H new ATOM 0 HA THR A 113 11.083 -4.437 4.109 1.00 0.00 H new ATOM 0 HB THR A 113 8.438 -3.334 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.130 -2.501 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.649 -4.843 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.714 -5.704 3.872 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.336 -5.190 5.458 1.00 0.00 H new ATOM 332 N PHE A 114 10.003 -5.326 1.794 1.00 0.00 N ATOM 333 CA PHE A 114 9.962 -5.818 0.390 1.00 0.00 C ATOM 334 C PHE A 114 8.790 -5.170 -0.350 1.00 0.00 C ATOM 335 O PHE A 114 7.925 -4.561 0.247 1.00 0.00 O ATOM 336 CB PHE A 114 9.785 -7.339 0.383 1.00 0.00 C ATOM 337 CG PHE A 114 11.131 -8.014 0.505 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.820 -7.987 1.725 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.687 -8.674 -0.599 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.066 -8.618 1.839 1.00 0.00 C ATOM 341 CE2 PHE A 114 12.933 -9.307 -0.483 1.00 0.00 C ATOM 342 CZ PHE A 114 13.622 -9.278 0.736 1.00 0.00 C ATOM 0 H PHE A 114 9.612 -5.960 2.491 1.00 0.00 H new ATOM 0 HA PHE A 114 10.896 -5.556 -0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.140 -7.643 1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.293 -7.652 -0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.391 -7.480 2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.156 -8.695 -1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.598 -8.595 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.361 -9.817 -1.333 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.582 -9.765 0.825 1.00 0.00 H new ATOM 352 N CYS A 115 8.759 -5.297 -1.649 1.00 0.00 N ATOM 353 CA CYS A 115 7.649 -4.689 -2.435 1.00 0.00 C ATOM 354 C CYS A 115 6.734 -5.798 -2.958 1.00 0.00 C ATOM 355 O CYS A 115 7.182 -6.862 -3.340 1.00 0.00 O ATOM 356 CB CYS A 115 8.239 -3.897 -3.601 1.00 0.00 C ATOM 357 SG CYS A 115 6.910 -3.190 -4.602 1.00 0.00 S ATOM 0 H CYS A 115 9.456 -5.797 -2.200 1.00 0.00 H new ATOM 0 HA CYS A 115 7.067 -4.017 -1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.883 -3.103 -3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.862 -4.547 -4.215 1.00 0.00 H new ATOM 362 N ASP A 116 5.453 -5.559 -2.968 1.00 0.00 N ATOM 363 CA ASP A 116 4.497 -6.602 -3.449 1.00 0.00 C ATOM 364 C ASP A 116 4.149 -6.363 -4.920 1.00 0.00 C ATOM 365 O ASP A 116 3.623 -7.229 -5.591 1.00 0.00 O ATOM 366 CB ASP A 116 3.218 -6.545 -2.611 1.00 0.00 C ATOM 367 CG ASP A 116 2.733 -5.097 -2.514 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.694 -4.437 -3.540 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.409 -4.674 -1.417 1.00 0.00 O ATOM 0 H ASP A 116 5.023 -4.685 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 116 4.963 -7.582 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.447 -7.168 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.406 -6.944 -1.614 1.00 0.00 H new ATOM 374 N HIS A 117 4.431 -5.197 -5.427 1.00 0.00 N ATOM 375 CA HIS A 117 4.109 -4.909 -6.852 1.00 0.00 C ATOM 376 C HIS A 117 5.287 -5.323 -7.737 1.00 0.00 C ATOM 377 O HIS A 117 5.117 -5.655 -8.893 1.00 0.00 O ATOM 378 CB HIS A 117 3.842 -3.411 -7.023 1.00 0.00 C ATOM 379 CG HIS A 117 3.717 -3.087 -8.487 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.535 -3.270 -9.186 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.618 -2.591 -9.397 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.753 -2.890 -10.458 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.006 -2.467 -10.640 1.00 0.00 N ATOM 0 H HIS A 117 4.870 -4.431 -4.917 1.00 0.00 H new ATOM 0 HA HIS A 117 3.222 -5.471 -7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.928 -3.132 -6.499 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.653 -2.833 -6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.645 -2.336 -9.181 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.006 -2.923 -11.237 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.425 -2.126 -11.505 1.00 0.00 H new ATOM 391 N CYS A 118 6.482 -5.313 -7.208 1.00 0.00 N ATOM 392 CA CYS A 118 7.658 -5.715 -8.032 1.00 0.00 C ATOM 393 C CYS A 118 8.410 -6.854 -7.337 1.00 0.00 C ATOM 394 O CYS A 118 9.275 -7.480 -7.916 1.00 0.00 O ATOM 395 CB CYS A 118 8.591 -4.517 -8.218 1.00 0.00 C ATOM 396 SG CYS A 118 9.074 -3.868 -6.601 1.00 0.00 S ATOM 0 H CYS A 118 6.693 -5.045 -6.247 1.00 0.00 H new ATOM 0 HA CYS A 118 7.313 -6.056 -9.008 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.476 -4.816 -8.780 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.092 -3.741 -8.798 1.00 0.00 H new ATOM 401 N GLY A 119 8.088 -7.134 -6.102 1.00 0.00 N ATOM 402 CA GLY A 119 8.785 -8.237 -5.380 1.00 0.00 C ATOM 403 C GLY A 119 10.265 -7.888 -5.206 1.00 0.00 C ATOM 404 O GLY A 119 11.137 -8.683 -5.497 1.00 0.00 O ATOM 0 H GLY A 119 7.373 -6.646 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.322 -8.396 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.685 -9.169 -5.936 1.00 0.00 H new ATOM 408 N SER A 120 10.555 -6.709 -4.731 1.00 0.00 N ATOM 409 CA SER A 120 11.980 -6.315 -4.538 1.00 0.00 C ATOM 410 C SER A 120 12.110 -5.461 -3.274 1.00 0.00 C ATOM 411 O SER A 120 11.257 -4.650 -2.971 1.00 0.00 O ATOM 412 CB SER A 120 12.455 -5.510 -5.747 1.00 0.00 C ATOM 413 OG SER A 120 12.105 -6.203 -6.938 1.00 0.00 O ATOM 0 H SER A 120 9.869 -6.002 -4.468 1.00 0.00 H new ATOM 0 HA SER A 120 12.592 -7.211 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.999 -4.520 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.534 -5.365 -5.701 1.00 0.00 H new ATOM 0 HG SER A 120 12.407 -5.689 -7.716 1.00 0.00 H new ATOM 419 N LEU A 121 13.172 -5.635 -2.534 1.00 0.00 N ATOM 420 CA LEU A 121 13.353 -4.831 -1.292 1.00 0.00 C ATOM 421 C LEU A 121 13.510 -3.354 -1.636 1.00 0.00 C ATOM 422 O LEU A 121 14.057 -2.994 -2.660 1.00 0.00 O ATOM 423 CB LEU A 121 14.592 -5.307 -0.532 1.00 0.00 C ATOM 424 CG LEU A 121 14.187 -6.368 0.492 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.428 -7.139 0.946 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.546 -5.678 1.700 1.00 0.00 C ATOM 0 H LEU A 121 13.920 -6.298 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 121 12.471 -4.963 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.323 -5.719 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.069 -4.465 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 121 13.476 -7.061 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.140 -7.895 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.891 -7.623 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.139 -6.449 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.254 -6.428 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.263 -4.990 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.664 -5.124 1.377 1.00 0.00 H new ATOM 438 N LEU A 122 13.034 -2.499 -0.776 1.00 0.00 N ATOM 439 CA LEU A 122 13.152 -1.034 -1.026 1.00 0.00 C ATOM 440 C LEU A 122 14.527 -0.551 -0.553 1.00 0.00 C ATOM 441 O LEU A 122 14.634 0.259 0.346 1.00 0.00 O ATOM 442 CB LEU A 122 12.061 -0.289 -0.249 1.00 0.00 C ATOM 443 CG LEU A 122 10.733 -1.046 -0.349 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.910 -0.799 0.917 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.953 -0.546 -1.564 1.00 0.00 C ATOM 0 H LEU A 122 12.566 -2.752 0.094 1.00 0.00 H new ATOM 0 HA LEU A 122 13.037 -0.837 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.353 -0.188 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.945 0.719 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 122 10.930 -2.113 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.965 -1.337 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.465 -1.152 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.713 0.268 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.008 -1.084 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.756 0.521 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.538 -0.717 -2.468 1.00 0.00 H new ATOM 457 N TYR A 123 15.581 -1.045 -1.147 1.00 0.00 N ATOM 458 CA TYR A 123 16.945 -0.617 -0.723 1.00 0.00 C ATOM 459 C TYR A 123 17.275 0.745 -1.337 1.00 0.00 C ATOM 460 O TYR A 123 17.278 0.910 -2.541 1.00 0.00 O ATOM 461 CB TYR A 123 17.972 -1.649 -1.198 1.00 0.00 C ATOM 462 CG TYR A 123 18.016 -2.805 -0.227 1.00 0.00 C ATOM 463 CD1 TYR A 123 16.880 -3.132 0.525 1.00 0.00 C ATOM 464 CD2 TYR A 123 19.193 -3.551 -0.079 1.00 0.00 C ATOM 465 CE1 TYR A 123 16.921 -4.206 1.426 1.00 0.00 C ATOM 466 CE2 TYR A 123 19.235 -4.623 0.821 1.00 0.00 C ATOM 467 CZ TYR A 123 18.099 -4.951 1.573 1.00 0.00 C ATOM 468 OH TYR A 123 18.139 -6.008 2.460 1.00 0.00 O ATOM 0 H TYR A 123 15.556 -1.725 -1.906 1.00 0.00 H new ATOM 0 HA TYR A 123 16.976 -0.540 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 123 17.709 -2.007 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.957 -1.188 -1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 123 15.973 -2.557 0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 123 20.068 -3.299 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 123 16.046 -4.459 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 123 20.143 -5.197 0.936 1.00 0.00 H new ATOM 0 HH TYR A 123 19.029 -6.419 2.440 1.00 0.00 H new ATOM 478 N GLY A 124 17.558 1.720 -0.515 1.00 0.00 N ATOM 479 CA GLY A 124 17.894 3.074 -1.044 1.00 0.00 C ATOM 480 C GLY A 124 16.954 3.425 -2.197 1.00 0.00 C ATOM 481 O GLY A 124 17.370 3.557 -3.331 1.00 0.00 O ATOM 0 H GLY A 124 17.571 1.637 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.806 3.817 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.929 3.095 -1.386 1.00 0.00 H new ATOM 485 N LEU A 125 15.690 3.576 -1.918 1.00 0.00 N ATOM 486 CA LEU A 125 14.725 3.916 -3.000 1.00 0.00 C ATOM 487 C LEU A 125 13.622 4.814 -2.436 1.00 0.00 C ATOM 488 O LEU A 125 13.284 5.832 -3.008 1.00 0.00 O ATOM 489 CB LEU A 125 14.105 2.631 -3.554 1.00 0.00 C ATOM 490 CG LEU A 125 15.071 1.989 -4.552 1.00 0.00 C ATOM 491 CD1 LEU A 125 14.406 0.773 -5.198 1.00 0.00 C ATOM 492 CD2 LEU A 125 15.432 3.008 -5.636 1.00 0.00 C ATOM 0 H LEU A 125 15.283 3.479 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 125 15.247 4.441 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.891 1.938 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.156 2.853 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 125 15.975 1.673 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 125 15.095 0.316 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.147 0.048 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.502 1.087 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.120 2.553 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.527 3.322 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.906 3.875 -5.177 1.00 0.00 H new ATOM 504 N VAL A 126 13.059 4.446 -1.319 1.00 0.00 N ATOM 505 CA VAL A 126 11.978 5.281 -0.723 1.00 0.00 C ATOM 506 C VAL A 126 12.001 5.130 0.798 1.00 0.00 C ATOM 507 O VAL A 126 12.425 4.121 1.322 1.00 0.00 O ATOM 508 CB VAL A 126 10.622 4.818 -1.257 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.526 5.136 -2.749 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.482 3.308 -1.049 1.00 0.00 C ATOM 0 H VAL A 126 13.300 3.605 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 126 12.137 6.326 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 126 9.825 5.335 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.559 4.806 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.627 6.211 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.323 4.618 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.516 2.976 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.279 2.792 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.551 3.079 0.014 1.00 0.00 H new ATOM 520 N HIS A 127 11.544 6.124 1.509 1.00 0.00 N ATOM 521 CA HIS A 127 11.536 6.032 2.996 1.00 0.00 C ATOM 522 C HIS A 127 10.834 4.739 3.414 1.00 0.00 C ATOM 523 O HIS A 127 9.636 4.708 3.611 1.00 0.00 O ATOM 524 CB HIS A 127 10.786 7.232 3.575 1.00 0.00 C ATOM 525 CG HIS A 127 11.289 7.516 4.964 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.432 7.738 6.030 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.559 7.621 5.476 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.189 7.962 7.120 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.493 7.903 6.837 1.00 0.00 N ATOM 0 H HIS A 127 11.176 6.995 1.125 1.00 0.00 H new ATOM 0 HA HIS A 127 12.559 6.031 3.371 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.930 8.105 2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.716 7.028 3.599 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.470 7.503 4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.791 8.165 8.103 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.273 8.036 7.481 1.00 0.00 H new ATOM 537 N GLN A 128 11.570 3.670 3.546 1.00 0.00 N ATOM 538 CA GLN A 128 10.943 2.380 3.946 1.00 0.00 C ATOM 539 C GLN A 128 9.941 1.954 2.868 1.00 0.00 C ATOM 540 O GLN A 128 10.145 2.189 1.694 1.00 0.00 O ATOM 541 CB GLN A 128 10.222 2.557 5.283 1.00 0.00 C ATOM 542 CG GLN A 128 11.054 3.460 6.197 1.00 0.00 C ATOM 543 CD GLN A 128 12.504 2.968 6.228 1.00 0.00 C ATOM 544 OE1 GLN A 128 13.135 2.827 5.199 1.00 0.00 O ATOM 545 NE2 GLN A 128 13.064 2.701 7.376 1.00 0.00 N ATOM 0 H GLN A 128 12.578 3.635 3.394 1.00 0.00 H new ATOM 0 HA GLN A 128 11.710 1.613 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.237 2.994 5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.067 1.587 5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 128 11.017 4.489 5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 128 10.637 3.457 7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 128 12.536 2.819 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.030 2.375 7.409 1.00 0.00 H new ATOM 554 N GLY A 129 8.863 1.328 3.254 1.00 0.00 N ATOM 555 CA GLY A 129 7.859 0.890 2.242 1.00 0.00 C ATOM 556 C GLY A 129 6.532 1.612 2.483 1.00 0.00 C ATOM 557 O GLY A 129 6.231 2.029 3.584 1.00 0.00 O ATOM 0 H GLY A 129 8.634 1.101 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.224 1.105 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.713 -0.188 2.304 1.00 0.00 H new ATOM 561 N MET A 130 5.734 1.756 1.460 1.00 0.00 N ATOM 562 CA MET A 130 4.422 2.444 1.627 1.00 0.00 C ATOM 563 C MET A 130 3.356 1.401 1.963 1.00 0.00 C ATOM 564 O MET A 130 2.961 0.614 1.126 1.00 0.00 O ATOM 565 CB MET A 130 4.044 3.156 0.324 1.00 0.00 C ATOM 566 CG MET A 130 5.313 3.584 -0.418 1.00 0.00 C ATOM 567 SD MET A 130 5.041 5.191 -1.204 1.00 0.00 S ATOM 568 CE MET A 130 6.109 6.158 -0.108 1.00 0.00 C ATOM 0 H MET A 130 5.934 1.427 0.516 1.00 0.00 H new ATOM 0 HA MET A 130 4.491 3.178 2.430 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.450 2.493 -0.305 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.427 4.028 0.541 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.150 3.645 0.277 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.576 2.840 -1.170 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.604 7.084 0.168 1.00 0.00 H new ATOM 0 HE2 MET A 130 6.326 5.581 0.791 1.00 0.00 H new ATOM 0 HE3 MET A 130 7.041 6.392 -0.622 1.00 0.00 H new ATOM 578 N LYS A 131 2.892 1.380 3.183 1.00 0.00 N ATOM 579 CA LYS A 131 1.860 0.377 3.567 1.00 0.00 C ATOM 580 C LYS A 131 0.462 0.947 3.326 1.00 0.00 C ATOM 581 O LYS A 131 0.102 1.981 3.853 1.00 0.00 O ATOM 582 CB LYS A 131 2.017 0.028 5.047 1.00 0.00 C ATOM 583 CG LYS A 131 0.950 -0.990 5.451 1.00 0.00 C ATOM 584 CD LYS A 131 1.207 -1.460 6.884 1.00 0.00 C ATOM 585 CE LYS A 131 1.897 -2.825 6.859 1.00 0.00 C ATOM 586 NZ LYS A 131 2.648 -3.027 8.131 1.00 0.00 N ATOM 0 H LYS A 131 3.183 2.013 3.928 1.00 0.00 H new ATOM 0 HA LYS A 131 1.990 -0.520 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.011 -0.380 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.924 0.928 5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.041 -0.542 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.968 -1.841 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.830 -0.736 7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.266 -1.527 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.158 -3.616 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.577 -2.885 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.300 -3.830 8.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.190 -2.168 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.978 -3.224 8.902 1.00 0.00 H new ATOM 600 N CYS A 132 -0.331 0.277 2.536 1.00 0.00 N ATOM 601 CA CYS A 132 -1.708 0.777 2.265 1.00 0.00 C ATOM 602 C CYS A 132 -2.532 0.706 3.552 1.00 0.00 C ATOM 603 O CYS A 132 -2.676 -0.341 4.151 1.00 0.00 O ATOM 604 CB CYS A 132 -2.365 -0.089 1.186 1.00 0.00 C ATOM 605 SG CYS A 132 -4.123 0.327 1.063 1.00 0.00 S ATOM 0 H CYS A 132 -0.085 -0.595 2.067 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.661 1.809 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.874 0.073 0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.247 -1.145 1.430 1.00 0.00 H new ATOM 610 N SER A 133 -3.071 1.815 3.983 1.00 0.00 N ATOM 611 CA SER A 133 -3.884 1.814 5.233 1.00 0.00 C ATOM 612 C SER A 133 -5.321 1.400 4.909 1.00 0.00 C ATOM 613 O SER A 133 -6.270 2.003 5.372 1.00 0.00 O ATOM 614 CB SER A 133 -3.884 3.216 5.843 1.00 0.00 C ATOM 615 OG SER A 133 -3.512 3.132 7.212 1.00 0.00 O ATOM 0 H SER A 133 -2.983 2.721 3.523 1.00 0.00 H new ATOM 0 HA SER A 133 -3.454 1.108 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.189 3.860 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.872 3.666 5.750 1.00 0.00 H new ATOM 0 HG SER A 133 -3.509 4.029 7.606 1.00 0.00 H new ATOM 621 N CYS A 134 -5.492 0.376 4.120 1.00 0.00 N ATOM 622 CA CYS A 134 -6.868 -0.075 3.770 1.00 0.00 C ATOM 623 C CYS A 134 -6.859 -1.584 3.515 1.00 0.00 C ATOM 624 O CYS A 134 -7.771 -2.293 3.895 1.00 0.00 O ATOM 625 CB CYS A 134 -7.338 0.652 2.509 1.00 0.00 C ATOM 626 SG CYS A 134 -8.554 1.916 2.960 1.00 0.00 S ATOM 0 H CYS A 134 -4.738 -0.169 3.702 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.546 0.151 4.593 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.489 1.113 2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.778 -0.058 1.809 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.106 2.611 3.963 1.00 0.00 H new ATOM 632 N CYS A 135 -5.836 -2.082 2.874 1.00 0.00 N ATOM 633 CA CYS A 135 -5.773 -3.545 2.594 1.00 0.00 C ATOM 634 C CYS A 135 -4.395 -4.085 2.986 1.00 0.00 C ATOM 635 O CYS A 135 -4.115 -5.258 2.835 1.00 0.00 O ATOM 636 CB CYS A 135 -6.011 -3.788 1.102 1.00 0.00 C ATOM 637 SG CYS A 135 -4.591 -3.183 0.155 1.00 0.00 S ATOM 0 H CYS A 135 -5.042 -1.540 2.533 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.540 -4.058 3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.159 -4.852 0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.919 -3.278 0.780 1.00 0.00 H new ATOM 642 N GLU A 136 -3.529 -3.244 3.483 1.00 0.00 N ATOM 643 CA GLU A 136 -2.172 -3.718 3.876 1.00 0.00 C ATOM 644 C GLU A 136 -1.382 -4.083 2.619 1.00 0.00 C ATOM 645 O GLU A 136 -1.269 -5.237 2.259 1.00 0.00 O ATOM 646 CB GLU A 136 -2.299 -4.949 4.775 1.00 0.00 C ATOM 647 CG GLU A 136 -3.363 -4.697 5.844 1.00 0.00 C ATOM 648 CD GLU A 136 -3.027 -5.504 7.100 1.00 0.00 C ATOM 649 OE1 GLU A 136 -2.898 -6.712 6.987 1.00 0.00 O ATOM 650 OE2 GLU A 136 -2.902 -4.900 8.152 1.00 0.00 O ATOM 0 H GLU A 136 -3.703 -2.250 3.634 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.653 -2.928 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.568 -5.821 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.341 -5.168 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.409 -3.635 6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.346 -4.982 5.468 1.00 0.00 H new ATOM 657 N MET A 137 -0.840 -3.107 1.947 1.00 0.00 N ATOM 658 CA MET A 137 -0.062 -3.396 0.709 1.00 0.00 C ATOM 659 C MET A 137 1.215 -2.551 0.697 1.00 0.00 C ATOM 660 O MET A 137 1.169 -1.342 0.585 1.00 0.00 O ATOM 661 CB MET A 137 -0.912 -3.050 -0.516 1.00 0.00 C ATOM 662 CG MET A 137 -0.523 -3.958 -1.685 1.00 0.00 C ATOM 663 SD MET A 137 -1.938 -4.993 -2.137 1.00 0.00 S ATOM 664 CE MET A 137 -1.550 -5.152 -3.896 1.00 0.00 C ATOM 0 H MET A 137 -0.902 -2.121 2.201 1.00 0.00 H new ATOM 0 HA MET A 137 0.203 -4.453 0.685 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.970 -3.173 -0.283 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.765 -2.005 -0.790 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.210 -3.357 -2.539 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.326 -4.583 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.824 -6.149 -4.240 1.00 0.00 H new ATOM 0 HE2 MET A 137 -2.110 -4.406 -4.461 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.482 -4.996 -4.049 1.00 0.00 H new ATOM 674 N ASN A 138 2.355 -3.177 0.807 1.00 0.00 N ATOM 675 CA ASN A 138 3.631 -2.408 0.799 1.00 0.00 C ATOM 676 C ASN A 138 4.150 -2.301 -0.637 1.00 0.00 C ATOM 677 O ASN A 138 4.301 -3.290 -1.325 1.00 0.00 O ATOM 678 CB ASN A 138 4.667 -3.129 1.665 1.00 0.00 C ATOM 679 CG ASN A 138 4.211 -3.112 3.125 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.034 -3.206 3.407 1.00 0.00 O ATOM 681 ND2 ASN A 138 5.101 -2.995 4.072 1.00 0.00 N ATOM 0 H ASN A 138 2.458 -4.187 0.902 1.00 0.00 H new ATOM 0 HA ASN A 138 3.457 -1.409 1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.791 -4.157 1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.638 -2.643 1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.808 -2.983 5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.090 -2.916 3.835 1.00 0.00 H new ATOM 688 N VAL A 139 4.421 -1.110 -1.098 1.00 0.00 N ATOM 689 CA VAL A 139 4.926 -0.951 -2.492 1.00 0.00 C ATOM 690 C VAL A 139 5.975 0.162 -2.541 1.00 0.00 C ATOM 691 O VAL A 139 6.191 0.871 -1.577 1.00 0.00 O ATOM 692 CB VAL A 139 3.763 -0.587 -3.418 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.783 -1.758 -3.494 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.043 0.646 -2.868 1.00 0.00 C ATOM 0 H VAL A 139 4.315 -0.243 -0.572 1.00 0.00 H new ATOM 0 HA VAL A 139 5.377 -1.889 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 139 4.146 -0.371 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.955 -1.498 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.296 -2.637 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.398 -1.976 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.214 0.907 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.660 0.429 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.741 1.481 -2.815 1.00 0.00 H new ATOM 704 N HIS A 140 6.628 0.324 -3.661 1.00 0.00 N ATOM 705 CA HIS A 140 7.660 1.393 -3.780 1.00 0.00 C ATOM 706 C HIS A 140 6.968 2.753 -3.897 1.00 0.00 C ATOM 707 O HIS A 140 5.778 2.874 -3.689 1.00 0.00 O ATOM 708 CB HIS A 140 8.506 1.148 -5.033 1.00 0.00 C ATOM 709 CG HIS A 140 9.547 0.101 -4.746 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.369 -1.229 -5.091 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.782 0.173 -4.153 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.472 -1.899 -4.706 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.366 -1.091 -4.130 1.00 0.00 N ATOM 0 H HIS A 140 6.490 -0.240 -4.500 1.00 0.00 H new ATOM 0 HA HIS A 140 8.301 1.381 -2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.869 0.825 -5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.986 2.075 -5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.233 1.074 -3.763 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.616 -2.960 -4.846 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.280 -1.345 -3.754 1.00 0.00 H new ATOM 720 N ARG A 141 7.704 3.777 -4.235 1.00 0.00 N ATOM 721 CA ARG A 141 7.089 5.123 -4.373 1.00 0.00 C ATOM 722 C ARG A 141 6.669 5.331 -5.830 1.00 0.00 C ATOM 723 O ARG A 141 5.681 5.978 -6.117 1.00 0.00 O ATOM 724 CB ARG A 141 8.111 6.190 -3.970 1.00 0.00 C ATOM 725 CG ARG A 141 7.648 7.560 -4.467 1.00 0.00 C ATOM 726 CD ARG A 141 7.833 8.599 -3.359 1.00 0.00 C ATOM 727 NE ARG A 141 7.407 9.937 -3.858 1.00 0.00 N ATOM 728 CZ ARG A 141 6.144 10.180 -4.082 1.00 0.00 C ATOM 729 NH1 ARG A 141 5.234 9.332 -3.688 1.00 0.00 N ATOM 730 NH2 ARG A 141 5.791 11.273 -4.701 1.00 0.00 N ATOM 0 H ARG A 141 8.706 3.737 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 141 6.215 5.202 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.227 6.206 -2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 141 9.087 5.950 -4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.219 7.850 -5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.601 7.515 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.246 8.321 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.877 8.631 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 141 8.103 10.664 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 141 5.509 8.477 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 141 4.248 9.524 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.502 11.937 -5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 141 4.804 11.464 -4.877 1.00 0.00 H new ATOM 744 N ARG A 142 7.411 4.783 -6.753 1.00 0.00 N ATOM 745 CA ARG A 142 7.056 4.942 -8.191 1.00 0.00 C ATOM 746 C ARG A 142 6.352 3.675 -8.682 1.00 0.00 C ATOM 747 O ARG A 142 6.091 3.515 -9.858 1.00 0.00 O ATOM 748 CB ARG A 142 8.329 5.170 -9.009 1.00 0.00 C ATOM 749 CG ARG A 142 9.337 5.967 -8.177 1.00 0.00 C ATOM 750 CD ARG A 142 10.125 6.908 -9.092 1.00 0.00 C ATOM 751 NE ARG A 142 11.562 6.514 -9.090 1.00 0.00 N ATOM 752 CZ ARG A 142 12.390 7.072 -8.249 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.579 6.545 -7.071 1.00 0.00 N ATOM 754 NH2 ARG A 142 13.031 8.157 -8.589 1.00 0.00 N ATOM 0 H ARG A 142 8.249 4.231 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 142 6.391 5.798 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.761 4.213 -9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.092 5.709 -9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 142 8.818 6.540 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.018 5.288 -7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 142 9.726 6.865 -10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.019 7.938 -8.751 1.00 0.00 H new ATOM 0 HE ARG A 142 11.899 5.809 -9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.080 5.696 -6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.226 6.982 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.885 8.568 -9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.678 8.594 -7.933 1.00 0.00 H new ATOM 768 N CYS A 143 6.042 2.773 -7.790 1.00 0.00 N ATOM 769 CA CYS A 143 5.354 1.517 -8.206 1.00 0.00 C ATOM 770 C CYS A 143 3.840 1.727 -8.154 1.00 0.00 C ATOM 771 O CYS A 143 3.085 1.035 -8.806 1.00 0.00 O ATOM 772 CB CYS A 143 5.745 0.384 -7.254 1.00 0.00 C ATOM 773 SG CYS A 143 7.197 -0.480 -7.902 1.00 0.00 S ATOM 0 H CYS A 143 6.235 2.852 -6.792 1.00 0.00 H new ATOM 0 HA CYS A 143 5.651 1.257 -9.222 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.960 0.786 -6.264 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.915 -0.313 -7.142 1.00 0.00 H new ATOM 778 N VAL A 144 3.392 2.679 -7.382 1.00 0.00 N ATOM 779 CA VAL A 144 1.927 2.934 -7.288 1.00 0.00 C ATOM 780 C VAL A 144 1.398 3.386 -8.650 1.00 0.00 C ATOM 781 O VAL A 144 0.307 3.033 -9.053 1.00 0.00 O ATOM 782 CB VAL A 144 1.666 4.026 -6.249 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.163 4.296 -6.155 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.186 3.567 -4.885 1.00 0.00 C ATOM 0 H VAL A 144 3.977 3.291 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 144 1.417 2.018 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 144 2.181 4.939 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.021 5.074 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.209 4.623 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.353 3.383 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.000 4.345 -4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.672 2.653 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.257 3.376 -4.950 1.00 0.00 H new ATOM 794 N ARG A 145 2.162 4.167 -9.365 1.00 0.00 N ATOM 795 CA ARG A 145 1.701 4.641 -10.702 1.00 0.00 C ATOM 796 C ARG A 145 1.614 3.453 -11.662 1.00 0.00 C ATOM 797 O ARG A 145 1.024 3.542 -12.721 1.00 0.00 O ATOM 798 CB ARG A 145 2.695 5.667 -11.250 1.00 0.00 C ATOM 799 CG ARG A 145 2.102 6.339 -12.490 1.00 0.00 C ATOM 800 CD ARG A 145 2.219 7.857 -12.352 1.00 0.00 C ATOM 801 NE ARG A 145 1.595 8.289 -11.071 1.00 0.00 N ATOM 802 CZ ARG A 145 0.493 8.989 -11.086 1.00 0.00 C ATOM 803 NH1 ARG A 145 0.345 9.954 -11.952 1.00 0.00 N ATOM 804 NH2 ARG A 145 -0.460 8.724 -10.235 1.00 0.00 N ATOM 0 H ARG A 145 3.085 4.497 -9.082 1.00 0.00 H new ATOM 0 HA ARG A 145 0.718 5.103 -10.605 1.00 0.00 H new ATOM 0 HB2 ARG A 145 2.918 6.415 -10.489 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.636 5.179 -11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.626 6.003 -13.385 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.057 6.053 -12.607 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.267 8.155 -12.377 1.00 0.00 H new ATOM 0 HD3 ARG A 145 1.728 8.348 -13.192 1.00 0.00 H new ATOM 0 HE ARG A 145 2.028 8.038 -10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 145 1.090 10.161 -12.617 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -0.516 10.501 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -0.344 7.970 -9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -1.321 9.271 -10.247 1.00 0.00 H new ATOM 818 N SER A 146 2.194 2.343 -11.301 1.00 0.00 N ATOM 819 CA SER A 146 2.143 1.150 -12.194 1.00 0.00 C ATOM 820 C SER A 146 1.063 0.189 -11.696 1.00 0.00 C ATOM 821 O SER A 146 0.620 -0.688 -12.412 1.00 0.00 O ATOM 822 CB SER A 146 3.499 0.444 -12.178 1.00 0.00 C ATOM 823 OG SER A 146 4.532 1.410 -12.326 1.00 0.00 O ATOM 0 H SER A 146 2.701 2.209 -10.426 1.00 0.00 H new ATOM 0 HA SER A 146 1.909 1.466 -13.211 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.627 -0.102 -11.243 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.551 -0.288 -12.984 1.00 0.00 H new ATOM 0 HG SER A 146 5.403 0.962 -12.315 1.00 0.00 H new ATOM 829 N VAL A 147 0.632 0.348 -10.475 1.00 0.00 N ATOM 830 CA VAL A 147 -0.420 -0.555 -9.931 1.00 0.00 C ATOM 831 C VAL A 147 -1.793 -0.088 -10.430 1.00 0.00 C ATOM 832 O VAL A 147 -2.045 1.098 -10.516 1.00 0.00 O ATOM 833 CB VAL A 147 -0.386 -0.507 -8.402 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.363 -1.538 -7.834 1.00 0.00 C ATOM 835 CG2 VAL A 147 1.029 -0.825 -7.915 1.00 0.00 C ATOM 0 H VAL A 147 0.964 1.065 -9.830 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.239 -1.577 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.674 0.489 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.337 -1.502 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.372 -1.313 -8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.077 -2.534 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 147 1.055 -0.791 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.315 -1.821 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.726 -0.090 -8.318 1.00 0.00 H new ATOM 845 N PRO A 148 -2.641 -1.036 -10.747 1.00 0.00 N ATOM 846 CA PRO A 148 -4.001 -0.753 -11.243 1.00 0.00 C ATOM 847 C PRO A 148 -4.952 -0.410 -10.088 1.00 0.00 C ATOM 848 O PRO A 148 -6.157 -0.487 -10.226 1.00 0.00 O ATOM 849 CB PRO A 148 -4.418 -2.067 -11.909 1.00 0.00 C ATOM 850 CG PRO A 148 -3.547 -3.177 -11.272 1.00 0.00 C ATOM 851 CD PRO A 148 -2.324 -2.476 -10.648 1.00 0.00 C ATOM 0 HA PRO A 148 -4.032 0.102 -11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.478 -2.265 -11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.263 -2.022 -12.987 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.109 -3.723 -10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.236 -3.903 -12.023 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.176 -2.781 -9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.408 -2.720 -11.186 1.00 0.00 H new ATOM 859 N SER A 149 -4.429 -0.033 -8.952 1.00 0.00 N ATOM 860 CA SER A 149 -5.314 0.311 -7.803 1.00 0.00 C ATOM 861 C SER A 149 -6.317 -0.821 -7.575 1.00 0.00 C ATOM 862 O SER A 149 -7.467 -0.730 -7.956 1.00 0.00 O ATOM 863 CB SER A 149 -6.069 1.605 -8.108 1.00 0.00 C ATOM 864 OG SER A 149 -6.101 1.813 -9.514 1.00 0.00 O ATOM 0 H SER A 149 -3.429 0.051 -8.771 1.00 0.00 H new ATOM 0 HA SER A 149 -4.708 0.447 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.084 1.548 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.583 2.447 -7.616 1.00 0.00 H new ATOM 0 HG SER A 149 -6.684 1.144 -9.930 1.00 0.00 H new ATOM 870 N LEU A 150 -5.891 -1.888 -6.956 1.00 0.00 N ATOM 871 CA LEU A 150 -6.824 -3.023 -6.705 1.00 0.00 C ATOM 872 C LEU A 150 -7.259 -3.008 -5.238 1.00 0.00 C ATOM 873 O LEU A 150 -7.343 -4.036 -4.595 1.00 0.00 O ATOM 874 CB LEU A 150 -6.117 -4.345 -7.014 1.00 0.00 C ATOM 875 CG LEU A 150 -4.709 -4.324 -6.416 1.00 0.00 C ATOM 876 CD1 LEU A 150 -4.316 -5.738 -5.987 1.00 0.00 C ATOM 877 CD2 LEU A 150 -3.718 -3.818 -7.466 1.00 0.00 C ATOM 0 H LEU A 150 -4.940 -2.023 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.700 -2.922 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.686 -5.179 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.063 -4.497 -8.092 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.692 -3.663 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -3.313 -5.723 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.022 -6.101 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -4.332 -6.399 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -2.714 -3.802 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -3.736 -4.480 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -3.997 -2.810 -7.774 1.00 0.00 H new ATOM 889 N CYS A 151 -7.537 -1.851 -4.704 1.00 0.00 N ATOM 890 CA CYS A 151 -7.967 -1.772 -3.280 1.00 0.00 C ATOM 891 C CYS A 151 -9.490 -1.894 -3.200 1.00 0.00 C ATOM 892 O CYS A 151 -10.168 -1.014 -2.708 1.00 0.00 O ATOM 893 CB CYS A 151 -7.528 -0.433 -2.686 1.00 0.00 C ATOM 894 SG CYS A 151 -7.300 -0.610 -0.899 1.00 0.00 S ATOM 0 H CYS A 151 -7.485 -0.957 -5.192 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.508 -2.584 -2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.599 -0.104 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.276 0.332 -2.894 1.00 0.00 H new ATOM 899 N GLY A 152 -10.031 -2.978 -3.683 1.00 0.00 N ATOM 900 CA GLY A 152 -11.508 -3.159 -3.637 1.00 0.00 C ATOM 901 C GLY A 152 -11.846 -4.648 -3.716 1.00 0.00 C ATOM 902 O GLY A 152 -12.948 -5.028 -4.059 1.00 0.00 O ATOM 0 H GLY A 152 -9.513 -3.747 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -11.908 -2.734 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -11.976 -2.625 -4.464 1.00 0.00 H new ATOM 906 N VAL A 153 -10.906 -5.494 -3.399 1.00 0.00 N ATOM 907 CA VAL A 153 -11.171 -6.959 -3.455 1.00 0.00 C ATOM 908 C VAL A 153 -10.894 -7.579 -2.084 1.00 0.00 C ATOM 909 O VAL A 153 -9.787 -7.538 -1.586 1.00 0.00 O ATOM 910 CB VAL A 153 -10.254 -7.602 -4.498 1.00 0.00 C ATOM 911 CG1 VAL A 153 -8.797 -7.277 -4.166 1.00 0.00 C ATOM 912 CG2 VAL A 153 -10.452 -9.119 -4.483 1.00 0.00 C ATOM 0 H VAL A 153 -9.965 -5.234 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 153 -12.212 -7.131 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 153 -10.498 -7.212 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -8.144 -7.735 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -8.654 -6.196 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -8.553 -7.668 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -9.799 -9.578 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -10.208 -9.508 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -11.490 -9.353 -4.718 1.00 0.00 H new ATOM 922 N ASP A 154 -11.892 -8.151 -1.469 1.00 0.00 N ATOM 923 CA ASP A 154 -11.685 -8.772 -0.130 1.00 0.00 C ATOM 924 C ASP A 154 -12.269 -10.186 -0.126 1.00 0.00 C ATOM 925 O ASP A 154 -11.650 -11.123 0.337 1.00 0.00 O ATOM 926 CB ASP A 154 -12.385 -7.929 0.937 1.00 0.00 C ATOM 927 CG ASP A 154 -11.391 -6.930 1.532 1.00 0.00 C ATOM 928 OD1 ASP A 154 -10.201 -7.159 1.399 1.00 0.00 O ATOM 929 OD2 ASP A 154 -11.838 -5.954 2.111 1.00 0.00 O ATOM 0 H ASP A 154 -12.842 -8.215 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 154 -10.618 -8.820 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -13.231 -7.399 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -12.783 -8.573 1.721 1.00 0.00 H new ATOM 934 N HIS A 155 -13.458 -10.349 -0.640 1.00 0.00 N ATOM 935 CA HIS A 155 -14.080 -11.703 -0.664 1.00 0.00 C ATOM 936 C HIS A 155 -15.107 -11.772 -1.795 1.00 0.00 C ATOM 937 O HIS A 155 -16.264 -12.075 -1.580 1.00 0.00 O ATOM 938 CB HIS A 155 -14.776 -11.968 0.673 1.00 0.00 C ATOM 939 CG HIS A 155 -14.614 -13.416 1.045 1.00 0.00 C ATOM 940 ND1 HIS A 155 -13.385 -13.958 1.390 1.00 0.00 N ATOM 941 CD2 HIS A 155 -15.516 -14.448 1.131 1.00 0.00 C ATOM 942 CE1 HIS A 155 -13.580 -15.260 1.665 1.00 0.00 C ATOM 943 NE2 HIS A 155 -14.861 -15.611 1.523 1.00 0.00 N ATOM 0 H HIS A 155 -14.025 -9.603 -1.044 1.00 0.00 H new ATOM 0 HA HIS A 155 -13.308 -12.455 -0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -14.350 -11.332 1.449 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -15.834 -11.716 0.600 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -16.573 -14.369 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -12.796 -15.940 1.964 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -15.271 -16.533 1.670 1.00 0.00 H new ATOM 951 N THR A 156 -14.693 -11.492 -3.001 1.00 0.00 N ATOM 952 CA THR A 156 -15.646 -11.543 -4.146 1.00 0.00 C ATOM 953 C THR A 156 -15.444 -12.847 -4.918 1.00 0.00 C ATOM 954 O THR A 156 -14.544 -12.970 -5.724 1.00 0.00 O ATOM 955 CB THR A 156 -15.390 -10.355 -5.077 1.00 0.00 C ATOM 956 OG1 THR A 156 -14.008 -10.303 -5.406 1.00 0.00 O ATOM 957 CG2 THR A 156 -15.800 -9.058 -4.378 1.00 0.00 C ATOM 0 H THR A 156 -13.737 -11.230 -3.243 1.00 0.00 H new ATOM 0 HA THR A 156 -16.668 -11.496 -3.770 1.00 0.00 H new ATOM 0 HB THR A 156 -15.977 -10.474 -5.988 1.00 0.00 H new ATOM 0 HG1 THR A 156 -13.684 -11.207 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 156 -15.617 -8.213 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 156 -16.860 -9.099 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 156 -15.216 -8.936 -3.466 1.00 0.00 H new ATOM 965 N GLU A 157 -16.276 -13.825 -4.678 1.00 0.00 N ATOM 966 CA GLU A 157 -16.129 -15.121 -5.399 1.00 0.00 C ATOM 967 C GLU A 157 -17.509 -15.629 -5.820 1.00 0.00 C ATOM 968 O GLU A 157 -18.525 -15.180 -5.326 1.00 0.00 O ATOM 969 CB GLU A 157 -15.469 -16.145 -4.474 1.00 0.00 C ATOM 970 CG GLU A 157 -13.954 -15.934 -4.476 1.00 0.00 C ATOM 971 CD GLU A 157 -13.325 -16.758 -5.601 1.00 0.00 C ATOM 972 OE1 GLU A 157 -14.033 -17.077 -6.542 1.00 0.00 O ATOM 973 OE2 GLU A 157 -12.147 -17.058 -5.502 1.00 0.00 O ATOM 0 H GLU A 157 -17.050 -13.782 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.509 -14.977 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -15.860 -16.041 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -15.706 -17.156 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -13.724 -14.877 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -13.534 -16.231 -3.515 1.00 0.00 H new ATOM 980 N ARG A 158 -17.555 -16.564 -6.731 1.00 0.00 N ATOM 981 CA ARG A 158 -18.870 -17.100 -7.182 1.00 0.00 C ATOM 982 C ARG A 158 -19.065 -18.509 -6.617 1.00 0.00 C ATOM 983 O ARG A 158 -19.133 -19.477 -7.347 1.00 0.00 O ATOM 984 CB ARG A 158 -18.902 -17.154 -8.710 1.00 0.00 C ATOM 985 CG ARG A 158 -18.420 -15.818 -9.279 1.00 0.00 C ATOM 986 CD ARG A 158 -18.937 -15.654 -10.710 1.00 0.00 C ATOM 987 NE ARG A 158 -18.683 -14.260 -11.173 1.00 0.00 N ATOM 988 CZ ARG A 158 -19.086 -13.881 -12.355 1.00 0.00 C ATOM 989 NH1 ARG A 158 -20.357 -13.696 -12.583 1.00 0.00 N ATOM 990 NH2 ARG A 158 -18.216 -13.686 -13.308 1.00 0.00 N ATOM 0 H ARG A 158 -16.739 -16.979 -7.181 1.00 0.00 H new ATOM 0 HA ARG A 158 -19.670 -16.451 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -18.267 -17.964 -9.069 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -19.914 -17.365 -9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -18.775 -14.997 -8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -17.331 -15.778 -9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -18.441 -16.364 -11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -20.004 -15.873 -10.750 1.00 0.00 H new ATOM 0 HE ARG A 158 -18.194 -13.602 -10.566 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -21.036 -13.848 -11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -20.672 -13.400 -13.507 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -17.222 -13.830 -13.129 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -18.530 -13.390 -14.232 1.00 0.00 H new ATOM 1004 N ARG A 159 -19.156 -18.631 -5.321 1.00 0.00 N ATOM 1005 CA ARG A 159 -19.347 -19.976 -4.710 1.00 0.00 C ATOM 1006 C ARG A 159 -20.513 -19.925 -3.721 1.00 0.00 C ATOM 1007 O ARG A 159 -20.411 -20.558 -2.682 1.00 0.00 O ATOM 1008 CB ARG A 159 -18.071 -20.389 -3.974 1.00 0.00 C ATOM 1009 CG ARG A 159 -17.431 -19.157 -3.330 1.00 0.00 C ATOM 1010 CD ARG A 159 -16.453 -19.601 -2.241 1.00 0.00 C ATOM 1011 NE ARG A 159 -17.150 -19.621 -0.924 1.00 0.00 N ATOM 1012 CZ ARG A 159 -16.456 -19.638 0.181 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -15.221 -20.059 0.170 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -16.998 -19.233 1.297 1.00 0.00 N ATOM 1015 OXT ARG A 159 -21.488 -19.255 -4.018 1.00 0.00 O ATOM 0 H ARG A 159 -19.106 -17.857 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 159 -19.565 -20.703 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -18.303 -21.132 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -17.372 -20.854 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -16.909 -18.569 -4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -18.201 -18.515 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -16.061 -20.591 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -15.601 -18.922 -2.203 1.00 0.00 H new ATOM 0 HE ARG A 159 -18.169 -19.621 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -14.798 -20.375 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -14.679 -20.072 1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -17.963 -18.904 1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -16.456 -19.246 2.161 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -5.069 -1.039 -0.535 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 7.894 -1.925 -6.251 1.00 0.00 ZN