USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 403 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 105 CYS SG : rot 158:sc= 1.02 USER MOD Set 1.2: A 107 THR OG1 : rot 90:sc= 0.158 USER MOD Set 1.3: A 108 CYS SG : rot -63:sc= 1.9 USER MOD Set 1.4: A 110 SER OG : rot 122:sc= 1.33 USER MOD Set 1.5: A 131 CYS SG : rot -131:sc= 1.13 USER MOD Set 1.6: A 134 CYS SG : rot 84:sc= 0.978 USER MOD Set 2.1: A 89 HIS : no HE2:sc= -5.28! X(o=-7.6!,f=-7.8) USER MOD Set 2.2: A 104 CYS SG : rot -28:sc= -2.29! USER MOD Set 3.1: A 93 CYS SG : rot -138:sc= -1.12! USER MOD Set 3.2: A 96 CYS SG : rot 180:sc= 0.858 USER MOD Set 3.3: A 113 HIS :FLIP no HE2:sc= -2.88 F(o=-7.8!,f=-7.1) USER MOD Set 3.4: A 116 CYS SG : rot -150:sc= -3.92! USER MOD Set 4.1: A 90 MET CE :methyl -167:sc=-0.00483 (180deg=-0.218) USER MOD Set 4.2: A 111 SER OG : rot 111:sc= -1.89! USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.085 (180deg=-0.511) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.665 USER MOD Single : A 115 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=-0.049) USER MOD Single : A 118 ASN :FLIP amide:sc= -0.752 F(o=-1.7!,f=-0.75) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 THR OG1 : rot 160:sc= -0.853 USER MOD Single : B 146 THR OG1 : rot 130:sc= -1.6 USER MOD Single : B 147 LYS NZ :NH3+ -107:sc= 0.632 (180deg=-0.0898) USER MOD Single : B 148 GLN : amide:sc= -1.22! K(o=-1.2!,f=-2.6) USER MOD Single : B 149 THR OG1 : rot -150:sc= -0.101 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 89 -9.035 2.769 7.144 1.00 0.00 N ATOM 32 CA HIS A 89 -7.964 1.845 6.798 1.00 0.00 C ATOM 33 C HIS A 89 -6.855 1.931 7.848 1.00 0.00 C ATOM 34 O HIS A 89 -6.935 2.765 8.756 1.00 0.00 O ATOM 35 CB HIS A 89 -7.421 2.111 5.378 1.00 0.00 C ATOM 36 CG HIS A 89 -6.669 3.399 5.193 1.00 0.00 C ATOM 37 ND1 HIS A 89 -6.840 4.516 5.984 1.00 0.00 N ATOM 38 CD2 HIS A 89 -5.721 3.732 4.288 1.00 0.00 C ATOM 39 CE1 HIS A 89 -6.029 5.471 5.572 1.00 0.00 C ATOM 40 NE2 HIS A 89 -5.336 5.024 4.542 1.00 0.00 N ATOM 0 HA HIS A 89 -8.365 0.831 6.793 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -6.764 1.286 5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.259 2.099 4.681 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -7.492 4.592 6.765 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.336 3.095 3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.946 6.456 6.006 1.00 0.00 H new ATOM 49 N MET A 90 -5.827 1.090 7.725 1.00 0.00 N ATOM 50 CA MET A 90 -4.778 1.014 8.746 1.00 0.00 C ATOM 51 C MET A 90 -4.151 2.383 9.004 1.00 0.00 C ATOM 52 O MET A 90 -4.241 3.300 8.180 1.00 0.00 O ATOM 53 CB MET A 90 -3.676 0.023 8.358 1.00 0.00 C ATOM 54 CG MET A 90 -4.178 -1.304 7.813 1.00 0.00 C ATOM 55 SD MET A 90 -2.965 -2.631 7.987 1.00 0.00 S ATOM 56 CE MET A 90 -1.550 -1.911 7.161 1.00 0.00 C ATOM 0 H MET A 90 -5.698 0.456 6.936 1.00 0.00 H new ATOM 0 HA MET A 90 -5.261 0.663 9.658 1.00 0.00 H new ATOM 0 HB2 MET A 90 -3.035 0.488 7.609 1.00 0.00 H new ATOM 0 HB3 MET A 90 -3.056 -0.171 9.233 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.094 -1.583 8.334 1.00 0.00 H new ATOM 0 HG3 MET A 90 -4.434 -1.187 6.760 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.802 -2.683 6.981 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.864 -1.481 6.210 1.00 0.00 H new ATOM 0 HE3 MET A 90 -1.121 -1.130 7.789 1.00 0.00 H new ATOM 66 N GLU A 91 -3.524 2.517 10.158 1.00 0.00 N ATOM 67 CA GLU A 91 -2.927 3.780 10.576 1.00 0.00 C ATOM 68 C GLU A 91 -1.425 3.790 10.297 1.00 0.00 C ATOM 69 O GLU A 91 -0.659 4.477 10.972 1.00 0.00 O ATOM 70 CB GLU A 91 -3.187 3.987 12.067 1.00 0.00 C ATOM 71 CG GLU A 91 -2.554 2.914 12.938 1.00 0.00 C ATOM 72 CD GLU A 91 -3.111 2.905 14.339 1.00 0.00 C ATOM 73 OE1 GLU A 91 -2.608 3.667 15.190 1.00 0.00 O ATOM 74 OE2 GLU A 91 -4.062 2.137 14.595 1.00 0.00 O ATOM 0 H GLU A 91 -3.412 1.760 10.832 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.380 4.592 10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.802 4.962 12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.263 4.002 12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.714 1.938 12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.477 3.073 12.980 1.00 0.00 H new ATOM 81 N PHE A 92 -1.009 3.017 9.307 1.00 0.00 N ATOM 82 CA PHE A 92 0.387 2.966 8.909 1.00 0.00 C ATOM 83 C PHE A 92 0.557 2.243 7.577 1.00 0.00 C ATOM 84 O PHE A 92 -0.240 1.380 7.212 1.00 0.00 O ATOM 85 CB PHE A 92 1.252 2.311 9.994 1.00 0.00 C ATOM 86 CG PHE A 92 0.725 1.021 10.552 1.00 0.00 C ATOM 87 CD1 PHE A 92 -0.103 1.016 11.662 1.00 0.00 C ATOM 88 CD2 PHE A 92 1.086 -0.184 9.989 1.00 0.00 C ATOM 89 CE1 PHE A 92 -0.569 -0.170 12.191 1.00 0.00 C ATOM 90 CE2 PHE A 92 0.629 -1.373 10.515 1.00 0.00 C ATOM 91 CZ PHE A 92 -0.201 -1.369 11.616 1.00 0.00 C ATOM 0 H PHE A 92 -1.624 2.413 8.761 1.00 0.00 H new ATOM 0 HA PHE A 92 0.726 3.994 8.781 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.245 2.129 9.582 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.372 3.019 10.814 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.388 1.952 12.119 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.735 -0.197 9.126 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.220 -0.160 13.053 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.922 -2.310 10.064 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.562 -2.301 12.027 1.00 0.00 H new ATOM 101 N CYS A 93 1.608 2.623 6.865 1.00 0.00 N ATOM 102 CA CYS A 93 1.937 2.081 5.560 1.00 0.00 C ATOM 103 C CYS A 93 2.187 0.587 5.674 1.00 0.00 C ATOM 104 O CYS A 93 3.124 0.167 6.322 1.00 0.00 O ATOM 105 CB CYS A 93 3.177 2.824 5.032 1.00 0.00 C ATOM 106 SG CYS A 93 4.006 2.126 3.571 1.00 0.00 S ATOM 0 H CYS A 93 2.268 3.331 7.187 1.00 0.00 H new ATOM 0 HA CYS A 93 1.113 2.222 4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 93 2.883 3.847 4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 93 3.907 2.880 5.840 1.00 0.00 H new ATOM 0 HG CYS A 93 5.294 2.181 3.735 1.00 0.00 H new ATOM 111 N ARG A 94 1.325 -0.202 5.054 1.00 0.00 N ATOM 112 CA ARG A 94 1.424 -1.656 5.058 1.00 0.00 C ATOM 113 C ARG A 94 2.831 -2.121 4.667 1.00 0.00 C ATOM 114 O ARG A 94 3.258 -3.223 5.009 1.00 0.00 O ATOM 115 CB ARG A 94 0.401 -2.168 4.061 1.00 0.00 C ATOM 116 CG ARG A 94 0.121 -3.651 4.113 1.00 0.00 C ATOM 117 CD ARG A 94 -0.757 -4.010 2.942 1.00 0.00 C ATOM 118 NE ARG A 94 -1.180 -5.407 2.946 1.00 0.00 N ATOM 119 CZ ARG A 94 -1.953 -5.944 2.002 1.00 0.00 C ATOM 120 NH1 ARG A 94 -2.245 -5.256 0.904 1.00 0.00 N ATOM 121 NH2 ARG A 94 -2.422 -7.173 2.139 1.00 0.00 N ATOM 0 H ARG A 94 0.527 0.151 4.527 1.00 0.00 H new ATOM 0 HA ARG A 94 1.232 -2.046 6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.536 -1.634 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.742 -1.916 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.053 -4.215 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.371 -3.912 5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.639 -3.370 2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.220 -3.803 2.017 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.868 -6.004 3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.877 -4.313 0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.837 -5.671 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.193 -7.717 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.013 -7.577 1.413 1.00 0.00 H new ATOM 135 N VAL A 95 3.530 -1.269 3.936 1.00 0.00 N ATOM 136 CA VAL A 95 4.899 -1.535 3.524 1.00 0.00 C ATOM 137 C VAL A 95 5.905 -1.233 4.647 1.00 0.00 C ATOM 138 O VAL A 95 6.713 -2.091 5.006 1.00 0.00 O ATOM 139 CB VAL A 95 5.257 -0.709 2.269 1.00 0.00 C ATOM 140 CG1 VAL A 95 6.604 -1.128 1.703 1.00 0.00 C ATOM 141 CG2 VAL A 95 4.158 -0.849 1.232 1.00 0.00 C ATOM 0 H VAL A 95 3.165 -0.374 3.611 1.00 0.00 H new ATOM 0 HA VAL A 95 4.963 -2.598 3.290 1.00 0.00 H new ATOM 0 HB VAL A 95 5.338 0.341 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.830 -0.530 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.378 -0.973 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.571 -2.182 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.415 -0.265 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.051 -1.898 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.218 -0.485 1.647 1.00 0.00 H new ATOM 151 N CYS A 96 5.854 -0.023 5.206 1.00 0.00 N ATOM 152 CA CYS A 96 6.859 0.397 6.193 1.00 0.00 C ATOM 153 C CYS A 96 6.406 0.200 7.646 1.00 0.00 C ATOM 154 O CYS A 96 7.239 0.054 8.539 1.00 0.00 O ATOM 155 CB CYS A 96 7.205 1.870 6.015 1.00 0.00 C ATOM 156 SG CYS A 96 7.708 2.357 4.362 1.00 0.00 S ATOM 0 H CYS A 96 5.141 0.676 4.999 1.00 0.00 H new ATOM 0 HA CYS A 96 7.725 -0.240 6.011 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.338 2.465 6.301 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.007 2.122 6.708 1.00 0.00 H new ATOM 0 HG CYS A 96 7.971 3.630 4.346 1.00 0.00 H new ATOM 161 N LYS A 97 5.090 0.185 7.852 1.00 0.00 N ATOM 162 CA LYS A 97 4.455 0.101 9.176 1.00 0.00 C ATOM 163 C LYS A 97 4.501 1.444 9.929 1.00 0.00 C ATOM 164 O LYS A 97 4.263 1.498 11.136 1.00 0.00 O ATOM 165 CB LYS A 97 5.072 -1.031 10.000 1.00 0.00 C ATOM 166 CG LYS A 97 4.998 -2.379 9.299 1.00 0.00 C ATOM 167 CD LYS A 97 3.694 -3.104 9.593 1.00 0.00 C ATOM 168 CE LYS A 97 3.667 -3.637 11.016 1.00 0.00 C ATOM 169 NZ LYS A 97 4.747 -4.630 11.257 1.00 0.00 N ATOM 0 H LYS A 97 4.416 0.232 7.088 1.00 0.00 H new ATOM 0 HA LYS A 97 3.401 -0.130 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.115 -0.794 10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.559 -1.097 10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.097 -2.234 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.837 -2.999 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.855 -2.424 9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.568 -3.928 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.773 -2.808 11.716 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.699 -4.098 11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.507 -5.210 12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.847 -5.243 10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.644 -4.132 11.430 1.00 0.00 H new ATOM 183 N ASP A 98 4.788 2.514 9.193 1.00 0.00 N ATOM 184 CA ASP A 98 4.758 3.885 9.698 1.00 0.00 C ATOM 185 C ASP A 98 3.505 4.610 9.232 1.00 0.00 C ATOM 186 O ASP A 98 2.953 4.295 8.191 1.00 0.00 O ATOM 187 CB ASP A 98 5.963 4.655 9.187 1.00 0.00 C ATOM 188 CG ASP A 98 6.282 4.377 7.740 1.00 0.00 C ATOM 189 OD1 ASP A 98 5.426 3.809 7.030 1.00 0.00 O ATOM 190 OD2 ASP A 98 7.389 4.751 7.299 1.00 0.00 O ATOM 0 H ASP A 98 5.053 2.452 8.210 1.00 0.00 H new ATOM 0 HA ASP A 98 4.769 3.835 10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.783 5.723 9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.831 4.404 9.797 1.00 0.00 H new ATOM 195 N GLY A 99 3.101 5.645 9.944 1.00 0.00 N ATOM 196 CA GLY A 99 1.812 6.236 9.685 1.00 0.00 C ATOM 197 C GLY A 99 1.934 7.540 8.946 1.00 0.00 C ATOM 198 O GLY A 99 1.525 8.586 9.444 1.00 0.00 O ATOM 0 H GLY A 99 3.639 6.084 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.205 5.543 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.291 6.400 10.628 1.00 0.00 H new ATOM 202 N GLY A 100 2.516 7.485 7.768 1.00 0.00 N ATOM 203 CA GLY A 100 2.689 8.684 6.992 1.00 0.00 C ATOM 204 C GLY A 100 1.434 9.064 6.257 1.00 0.00 C ATOM 205 O GLY A 100 0.324 8.787 6.716 1.00 0.00 O ATOM 0 H GLY A 100 2.872 6.633 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.986 9.501 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.499 8.539 6.277 1.00 0.00 H new ATOM 209 N GLU A 101 1.609 9.713 5.133 1.00 0.00 N ATOM 210 CA GLU A 101 0.498 10.009 4.258 1.00 0.00 C ATOM 211 C GLU A 101 0.113 8.732 3.535 1.00 0.00 C ATOM 212 O GLU A 101 0.804 8.282 2.618 1.00 0.00 O ATOM 213 CB GLU A 101 0.873 11.126 3.288 1.00 0.00 C ATOM 214 CG GLU A 101 -0.320 11.914 2.775 1.00 0.00 C ATOM 215 CD GLU A 101 0.064 13.301 2.298 1.00 0.00 C ATOM 216 OE1 GLU A 101 0.639 14.073 3.095 1.00 0.00 O ATOM 217 OE2 GLU A 101 -0.208 13.635 1.127 1.00 0.00 O ATOM 0 H GLU A 101 2.513 10.048 4.800 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.360 10.364 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.563 11.809 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.405 10.695 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.787 11.368 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.064 11.998 3.567 1.00 0.00 H new ATOM 224 N LEU A 102 -0.989 8.146 3.971 1.00 0.00 N ATOM 225 CA LEU A 102 -1.349 6.807 3.560 1.00 0.00 C ATOM 226 C LEU A 102 -2.483 6.826 2.573 1.00 0.00 C ATOM 227 O LEU A 102 -3.610 7.211 2.898 1.00 0.00 O ATOM 228 CB LEU A 102 -1.741 5.973 4.764 1.00 0.00 C ATOM 229 CG LEU A 102 -0.849 6.173 5.979 1.00 0.00 C ATOM 230 CD1 LEU A 102 -1.521 5.622 7.222 1.00 0.00 C ATOM 231 CD2 LEU A 102 0.513 5.527 5.748 1.00 0.00 C ATOM 0 H LEU A 102 -1.651 8.582 4.613 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.477 6.364 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.768 6.212 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.723 4.920 4.484 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.690 7.241 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.871 5.772 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.466 6.141 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.710 4.557 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.141 5.678 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.384 4.459 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.989 5.982 4.879 1.00 0.00 H new ATOM 243 N LEU A 103 -2.173 6.353 1.394 1.00 0.00 N ATOM 244 CA LEU A 103 -3.077 6.346 0.285 1.00 0.00 C ATOM 245 C LEU A 103 -4.198 5.369 0.565 1.00 0.00 C ATOM 246 O LEU A 103 -3.968 4.171 0.739 1.00 0.00 O ATOM 247 CB LEU A 103 -2.290 5.963 -0.962 1.00 0.00 C ATOM 248 CG LEU A 103 -2.898 6.386 -2.290 1.00 0.00 C ATOM 249 CD1 LEU A 103 -3.766 7.617 -2.116 1.00 0.00 C ATOM 250 CD2 LEU A 103 -1.788 6.662 -3.289 1.00 0.00 C ATOM 0 H LEU A 103 -1.260 5.953 1.178 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.525 7.327 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.293 6.398 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.165 4.880 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.528 5.579 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.191 7.902 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.571 7.398 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.161 8.437 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.223 6.965 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.149 7.460 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.195 5.759 -3.432 1.00 0.00 H new ATOM 262 N CYS A 104 -5.398 5.899 0.672 1.00 0.00 N ATOM 263 CA CYS A 104 -6.542 5.096 1.043 1.00 0.00 C ATOM 264 C CYS A 104 -7.081 4.339 -0.156 1.00 0.00 C ATOM 265 O CYS A 104 -7.819 4.892 -0.969 1.00 0.00 O ATOM 266 CB CYS A 104 -7.628 5.981 1.638 1.00 0.00 C ATOM 267 SG CYS A 104 -7.036 7.087 2.941 1.00 0.00 S ATOM 0 H CYS A 104 -5.606 6.884 0.507 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.225 4.369 1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.074 6.578 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -8.418 5.348 2.042 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.005 6.554 3.527 1.00 0.00 H new ATOM 273 N CYS A 105 -6.675 3.080 -0.272 1.00 0.00 N ATOM 274 CA CYS A 105 -7.173 2.213 -1.334 1.00 0.00 C ATOM 275 C CYS A 105 -8.698 2.227 -1.362 1.00 0.00 C ATOM 276 O CYS A 105 -9.354 1.905 -0.371 1.00 0.00 O ATOM 277 CB CYS A 105 -6.678 0.776 -1.154 1.00 0.00 C ATOM 278 SG CYS A 105 -7.099 -0.307 -2.541 1.00 0.00 S ATOM 0 H CYS A 105 -6.003 2.637 0.355 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.790 2.596 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.596 0.786 -1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -7.104 0.365 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.286 -1.321 -2.562 1.00 0.00 H new ATOM 283 N ASP A 106 -9.244 2.593 -2.512 1.00 0.00 N ATOM 284 CA ASP A 106 -10.689 2.770 -2.669 1.00 0.00 C ATOM 285 C ASP A 106 -11.463 1.471 -2.433 1.00 0.00 C ATOM 286 O ASP A 106 -12.622 1.506 -2.022 1.00 0.00 O ATOM 287 CB ASP A 106 -11.004 3.340 -4.064 1.00 0.00 C ATOM 288 CG ASP A 106 -12.493 3.520 -4.317 1.00 0.00 C ATOM 289 OD1 ASP A 106 -13.062 4.524 -3.846 1.00 0.00 O ATOM 290 OD2 ASP A 106 -13.096 2.676 -5.016 1.00 0.00 O ATOM 0 H ASP A 106 -8.707 2.776 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.016 3.478 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.504 4.302 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.591 2.675 -4.823 1.00 0.00 H new ATOM 295 N THR A 107 -10.824 0.324 -2.654 1.00 0.00 N ATOM 296 CA THR A 107 -11.537 -0.950 -2.588 1.00 0.00 C ATOM 297 C THR A 107 -11.137 -1.817 -1.388 1.00 0.00 C ATOM 298 O THR A 107 -11.654 -2.926 -1.232 1.00 0.00 O ATOM 299 CB THR A 107 -11.332 -1.768 -3.878 1.00 0.00 C ATOM 300 OG1 THR A 107 -9.931 -1.955 -4.123 1.00 0.00 O ATOM 301 CG2 THR A 107 -11.972 -1.074 -5.073 1.00 0.00 C ATOM 0 H THR A 107 -9.831 0.250 -2.877 1.00 0.00 H new ATOM 0 HA THR A 107 -12.587 -0.683 -2.469 1.00 0.00 H new ATOM 0 HB THR A 107 -11.812 -2.738 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.629 -2.778 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.812 -1.673 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 107 -13.042 -0.961 -4.898 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.520 -0.091 -5.208 1.00 0.00 H new ATOM 309 N CYS A 108 -10.231 -1.340 -0.537 1.00 0.00 N ATOM 310 CA CYS A 108 -9.827 -2.129 0.625 1.00 0.00 C ATOM 311 C CYS A 108 -9.091 -1.263 1.644 1.00 0.00 C ATOM 312 O CYS A 108 -8.469 -0.262 1.283 1.00 0.00 O ATOM 313 CB CYS A 108 -8.947 -3.309 0.194 1.00 0.00 C ATOM 314 SG CYS A 108 -7.180 -2.944 0.118 1.00 0.00 S ATOM 0 H CYS A 108 -9.772 -0.433 -0.625 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.728 -2.520 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -9.104 -4.134 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.276 -3.651 -0.787 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.964 -2.027 -0.778 1.00 0.00 H new ATOM 319 N PRO A 109 -9.143 -1.648 2.930 1.00 0.00 N ATOM 320 CA PRO A 109 -8.546 -0.871 4.024 1.00 0.00 C ATOM 321 C PRO A 109 -7.015 -0.957 4.093 1.00 0.00 C ATOM 322 O PRO A 109 -6.441 -1.170 5.164 1.00 0.00 O ATOM 323 CB PRO A 109 -9.168 -1.498 5.271 1.00 0.00 C ATOM 324 CG PRO A 109 -9.457 -2.906 4.883 1.00 0.00 C ATOM 325 CD PRO A 109 -9.813 -2.870 3.423 1.00 0.00 C ATOM 0 HA PRO A 109 -8.743 0.194 3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.485 -1.453 6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.077 -0.974 5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.591 -3.544 5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.277 -3.313 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.458 -3.759 2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.892 -2.823 3.275 1.00 0.00 H new ATOM 333 N SER A 110 -6.359 -0.758 2.963 1.00 0.00 N ATOM 334 CA SER A 110 -4.902 -0.766 2.915 1.00 0.00 C ATOM 335 C SER A 110 -4.340 0.651 2.892 1.00 0.00 C ATOM 336 O SER A 110 -4.850 1.523 2.189 1.00 0.00 O ATOM 337 CB SER A 110 -4.412 -1.541 1.694 1.00 0.00 C ATOM 338 OG SER A 110 -4.760 -2.909 1.788 1.00 0.00 O ATOM 0 H SER A 110 -6.810 -0.588 2.064 1.00 0.00 H new ATOM 0 HA SER A 110 -4.544 -1.260 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.845 -1.113 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.330 -1.443 1.607 1.00 0.00 H new ATOM 0 HG SER A 110 -5.300 -3.163 1.011 1.00 0.00 H new ATOM 344 N SER A 111 -3.292 0.868 3.672 1.00 0.00 N ATOM 345 CA SER A 111 -2.623 2.156 3.741 1.00 0.00 C ATOM 346 C SER A 111 -1.181 2.039 3.262 1.00 0.00 C ATOM 347 O SER A 111 -0.448 1.161 3.703 1.00 0.00 O ATOM 348 CB SER A 111 -2.662 2.663 5.175 1.00 0.00 C ATOM 349 OG SER A 111 -2.565 1.583 6.083 1.00 0.00 O ATOM 0 H SER A 111 -2.882 0.155 4.275 1.00 0.00 H new ATOM 0 HA SER A 111 -3.139 2.862 3.090 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.843 3.362 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.588 3.210 5.349 1.00 0.00 H new ATOM 0 HG SER A 111 -1.700 1.618 6.542 1.00 0.00 H new ATOM 355 N TYR A 112 -0.791 2.918 2.350 1.00 0.00 N ATOM 356 CA TYR A 112 0.551 2.894 1.759 1.00 0.00 C ATOM 357 C TYR A 112 1.098 4.308 1.658 1.00 0.00 C ATOM 358 O TYR A 112 0.330 5.266 1.651 1.00 0.00 O ATOM 359 CB TYR A 112 0.516 2.306 0.338 1.00 0.00 C ATOM 360 CG TYR A 112 0.309 0.807 0.237 1.00 0.00 C ATOM 361 CD1 TYR A 112 -0.769 0.181 0.843 1.00 0.00 C ATOM 362 CD2 TYR A 112 1.179 0.022 -0.509 1.00 0.00 C ATOM 363 CE1 TYR A 112 -0.972 -1.175 0.719 1.00 0.00 C ATOM 364 CE2 TYR A 112 0.985 -1.339 -0.632 1.00 0.00 C ATOM 365 CZ TYR A 112 -0.096 -1.931 -0.018 1.00 0.00 C ATOM 366 OH TYR A 112 -0.317 -3.280 -0.154 1.00 0.00 O ATOM 0 H TYR A 112 -1.388 3.666 1.997 1.00 0.00 H new ATOM 0 HA TYR A 112 1.182 2.278 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.281 2.800 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.453 2.556 -0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.464 0.769 1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 112 2.022 0.485 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.818 -1.642 1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 112 1.677 -1.936 -1.207 1.00 0.00 H new ATOM 0 HH TYR A 112 0.391 -3.673 -0.706 1.00 0.00 H new ATOM 376 N HIS A 113 2.416 4.443 1.571 1.00 0.00 N ATOM 377 CA HIS A 113 2.999 5.711 1.163 1.00 0.00 C ATOM 378 C HIS A 113 2.993 5.715 -0.357 1.00 0.00 C ATOM 379 O HIS A 113 3.173 4.662 -0.972 1.00 0.00 O ATOM 380 CB HIS A 113 4.450 5.888 1.637 1.00 0.00 C ATOM 381 CG HIS A 113 4.676 6.011 3.118 1.00 0.00 C ATOM 382 ND1 HIS A 113 4.144 6.864 4.032 1.00 0.00 N flip ATOM 383 CD2 HIS A 113 5.619 5.234 3.734 1.00 0.00 C flip ATOM 384 CE1 HIS A 113 4.775 6.617 5.220 1.00 0.00 C flip ATOM 385 NE2 HIS A 113 5.650 5.627 4.983 1.00 0.00 N flip ATOM 0 H HIS A 113 3.089 3.704 1.774 1.00 0.00 H new ATOM 0 HA HIS A 113 2.419 6.522 1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 113 5.030 5.039 1.276 1.00 0.00 H new ATOM 0 HB3 HIS A 113 4.856 6.779 1.158 1.00 0.00 H new ATOM 0 HD1 HIS A 113 3.414 7.556 3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.216 4.455 3.282 1.00 0.00 H new ATOM 0 HE1 HIS A 113 4.604 7.118 6.161 1.00 0.00 H new ATOM 393 N ILE A 114 2.798 6.877 -0.962 1.00 0.00 N ATOM 394 CA ILE A 114 2.795 6.991 -2.419 1.00 0.00 C ATOM 395 C ILE A 114 4.117 6.531 -3.032 1.00 0.00 C ATOM 396 O ILE A 114 4.176 6.188 -4.209 1.00 0.00 O ATOM 397 CB ILE A 114 2.503 8.435 -2.869 1.00 0.00 C ATOM 398 CG1 ILE A 114 3.295 9.439 -2.017 1.00 0.00 C ATOM 399 CG2 ILE A 114 1.013 8.712 -2.798 1.00 0.00 C ATOM 400 CD1 ILE A 114 3.003 10.888 -2.339 1.00 0.00 C ATOM 0 H ILE A 114 2.639 7.756 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 114 2.000 6.336 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 114 2.824 8.553 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.074 9.260 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.361 9.255 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.818 9.735 -3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.483 8.020 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.667 8.580 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.602 11.532 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 114 3.252 11.086 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 114 1.945 11.092 -2.173 1.00 0.00 H new ATOM 412 N HIS A 115 5.173 6.520 -2.234 1.00 0.00 N ATOM 413 CA HIS A 115 6.480 6.088 -2.714 1.00 0.00 C ATOM 414 C HIS A 115 6.710 4.599 -2.437 1.00 0.00 C ATOM 415 O HIS A 115 7.731 4.044 -2.835 1.00 0.00 O ATOM 416 CB HIS A 115 7.585 6.930 -2.063 1.00 0.00 C ATOM 417 CG HIS A 115 8.922 6.807 -2.729 1.00 0.00 C ATOM 418 ND1 HIS A 115 9.227 7.436 -3.913 1.00 0.00 N ATOM 419 CD2 HIS A 115 10.037 6.125 -2.371 1.00 0.00 C ATOM 420 CE1 HIS A 115 10.464 7.146 -4.260 1.00 0.00 C ATOM 421 NE2 HIS A 115 10.979 6.353 -3.342 1.00 0.00 N ATOM 0 H HIS A 115 5.153 6.804 -1.254 1.00 0.00 H new ATOM 0 HA HIS A 115 6.510 6.235 -3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 115 7.282 7.977 -2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 115 7.683 6.635 -1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 115 10.161 5.516 -1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.970 7.498 -5.146 1.00 0.00 H new ATOM 0 HE2 HIS A 115 11.925 5.971 -3.352 1.00 0.00 H new ATOM 430 N CYS A 116 5.756 3.944 -1.777 1.00 0.00 N ATOM 431 CA CYS A 116 5.902 2.525 -1.453 1.00 0.00 C ATOM 432 C CYS A 116 5.023 1.690 -2.351 1.00 0.00 C ATOM 433 O CYS A 116 4.658 0.560 -2.032 1.00 0.00 O ATOM 434 CB CYS A 116 5.601 2.281 0.022 1.00 0.00 C ATOM 435 SG CYS A 116 6.590 3.367 1.043 1.00 0.00 S ATOM 0 H CYS A 116 4.884 4.366 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 116 6.935 2.224 -1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.542 2.451 0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 116 5.809 1.242 0.276 1.00 0.00 H new ATOM 0 HG CYS A 116 6.837 2.788 2.180 1.00 0.00 H new ATOM 440 N LEU A 117 4.695 2.275 -3.482 1.00 0.00 N ATOM 441 CA LEU A 117 3.932 1.607 -4.497 1.00 0.00 C ATOM 442 C LEU A 117 4.843 1.106 -5.599 1.00 0.00 C ATOM 443 O LEU A 117 6.056 1.324 -5.560 1.00 0.00 O ATOM 444 CB LEU A 117 2.890 2.566 -5.050 1.00 0.00 C ATOM 445 CG LEU A 117 1.850 2.984 -4.023 1.00 0.00 C ATOM 446 CD1 LEU A 117 0.911 4.028 -4.593 1.00 0.00 C ATOM 447 CD2 LEU A 117 1.089 1.761 -3.544 1.00 0.00 C ATOM 0 H LEU A 117 4.955 3.233 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 117 3.427 0.743 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.391 3.456 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 117 2.387 2.097 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 117 2.356 3.438 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.177 4.309 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.482 4.908 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.397 3.619 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.344 2.062 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.592 1.287 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.784 1.055 -3.089 1.00 0.00 H new ATOM 459 N ASN A 118 4.266 0.449 -6.579 1.00 0.00 N ATOM 460 CA ASN A 118 5.039 -0.046 -7.710 1.00 0.00 C ATOM 461 C ASN A 118 5.326 1.081 -8.680 1.00 0.00 C ATOM 462 O ASN A 118 6.458 1.224 -9.151 1.00 0.00 O ATOM 463 CB ASN A 118 4.333 -1.222 -8.395 1.00 0.00 C ATOM 464 CG ASN A 118 4.347 -2.480 -7.546 1.00 0.00 C ATOM 465 OD1 ASN A 118 3.350 -2.638 -6.688 1.00 0.00 O flip ATOM 466 ND2 ASN A 118 5.259 -3.301 -7.651 1.00 0.00 N flip ATOM 0 H ASN A 118 3.268 0.242 -6.622 1.00 0.00 H new ATOM 0 HA ASN A 118 5.993 -0.423 -7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 118 3.301 -0.946 -8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 118 4.817 -1.426 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 118 6.010 -3.146 -8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.263 -4.136 -7.066 1.00 0.00 H new ATOM 473 N PRO A 119 4.318 1.890 -9.014 1.00 0.00 N ATOM 474 CA PRO A 119 4.525 3.176 -9.637 1.00 0.00 C ATOM 475 C PRO A 119 4.477 4.302 -8.601 1.00 0.00 C ATOM 476 O PRO A 119 3.403 4.838 -8.312 1.00 0.00 O ATOM 477 CB PRO A 119 3.335 3.278 -10.590 1.00 0.00 C ATOM 478 CG PRO A 119 2.387 2.174 -10.216 1.00 0.00 C ATOM 479 CD PRO A 119 2.887 1.605 -8.924 1.00 0.00 C ATOM 0 HA PRO A 119 5.493 3.266 -10.129 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.851 4.251 -10.502 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.659 3.176 -11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 119 1.372 2.555 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 119 2.357 1.409 -10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.427 2.084 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.686 0.537 -8.841 1.00 0.00 H new ATOM 487 N PRO A 120 5.631 4.659 -8.008 1.00 0.00 N ATOM 488 CA PRO A 120 5.701 5.678 -6.953 1.00 0.00 C ATOM 489 C PRO A 120 5.145 7.025 -7.394 1.00 0.00 C ATOM 490 O PRO A 120 5.385 7.485 -8.513 1.00 0.00 O ATOM 491 CB PRO A 120 7.198 5.783 -6.644 1.00 0.00 C ATOM 492 CG PRO A 120 7.763 4.488 -7.103 1.00 0.00 C ATOM 493 CD PRO A 120 6.959 4.103 -8.309 1.00 0.00 C ATOM 0 HA PRO A 120 5.097 5.400 -6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 120 7.654 6.623 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 120 7.374 5.938 -5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 120 8.820 4.587 -7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.689 3.730 -6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 120 7.376 4.524 -9.224 1.00 0.00 H new ATOM 0 HD3 PRO A 120 6.924 3.022 -8.443 1.00 0.00 H new ATOM 501 N LEU A 121 4.397 7.642 -6.503 1.00 0.00 N ATOM 502 CA LEU A 121 3.738 8.902 -6.781 1.00 0.00 C ATOM 503 C LEU A 121 4.393 10.035 -6.008 1.00 0.00 C ATOM 504 O LEU A 121 4.797 9.864 -4.856 1.00 0.00 O ATOM 505 CB LEU A 121 2.265 8.793 -6.404 1.00 0.00 C ATOM 506 CG LEU A 121 1.441 7.880 -7.309 1.00 0.00 C ATOM 507 CD1 LEU A 121 0.535 6.996 -6.477 1.00 0.00 C ATOM 508 CD2 LEU A 121 0.626 8.701 -8.297 1.00 0.00 C ATOM 0 H LEU A 121 4.228 7.283 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 121 3.828 9.122 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.192 8.428 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.825 9.790 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 121 2.123 7.244 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.047 6.350 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.139 6.383 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.140 7.618 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.045 8.033 -8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -0.049 9.361 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.297 9.298 -8.914 1.00 0.00 H new ATOM 520 N PRO A 122 4.540 11.198 -6.653 1.00 0.00 N ATOM 521 CA PRO A 122 5.066 12.403 -6.016 1.00 0.00 C ATOM 522 C PRO A 122 4.019 13.070 -5.126 1.00 0.00 C ATOM 523 O PRO A 122 4.346 13.882 -4.261 1.00 0.00 O ATOM 524 CB PRO A 122 5.428 13.317 -7.200 1.00 0.00 C ATOM 525 CG PRO A 122 5.205 12.505 -8.436 1.00 0.00 C ATOM 526 CD PRO A 122 4.227 11.433 -8.064 1.00 0.00 C ATOM 0 HA PRO A 122 5.913 12.188 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 122 4.807 14.212 -7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.464 13.649 -7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 122 4.814 13.125 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 122 6.140 12.072 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 122 3.196 11.758 -8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.362 10.534 -8.665 1.00 0.00 H new ATOM 534 N GLU A 123 2.758 12.708 -5.347 1.00 0.00 N ATOM 535 CA GLU A 123 1.649 13.225 -4.559 1.00 0.00 C ATOM 536 C GLU A 123 0.444 12.297 -4.694 1.00 0.00 C ATOM 537 O GLU A 123 0.377 11.488 -5.621 1.00 0.00 O ATOM 538 CB GLU A 123 1.279 14.647 -4.998 1.00 0.00 C ATOM 539 CG GLU A 123 0.807 14.741 -6.436 1.00 0.00 C ATOM 540 CD GLU A 123 0.489 16.162 -6.849 1.00 0.00 C ATOM 541 OE1 GLU A 123 1.422 16.905 -7.219 1.00 0.00 O ATOM 542 OE2 GLU A 123 -0.700 16.547 -6.804 1.00 0.00 O ATOM 0 H GLU A 123 2.480 12.050 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 123 1.955 13.266 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.495 15.027 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.146 15.295 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.576 14.338 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.080 14.121 -6.565 1.00 0.00 H new ATOM 549 N ILE A 124 -0.483 12.404 -3.752 1.00 0.00 N ATOM 550 CA ILE A 124 -1.683 11.581 -3.719 1.00 0.00 C ATOM 551 C ILE A 124 -2.525 11.748 -4.990 1.00 0.00 C ATOM 552 O ILE A 124 -2.839 12.870 -5.395 1.00 0.00 O ATOM 553 CB ILE A 124 -2.523 11.952 -2.482 1.00 0.00 C ATOM 554 CG1 ILE A 124 -1.611 12.139 -1.261 1.00 0.00 C ATOM 555 CG2 ILE A 124 -3.585 10.904 -2.214 1.00 0.00 C ATOM 556 CD1 ILE A 124 -0.566 11.051 -1.077 1.00 0.00 C ATOM 0 H ILE A 124 -0.422 13.071 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 124 -1.375 10.537 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.033 12.895 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.104 13.100 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -2.230 12.184 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.164 11.189 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.247 10.828 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.108 9.940 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 124 0.031 11.266 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.061 10.088 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 124 0.083 11.018 -1.952 1.00 0.00 H new ATOM 568 N PRO A 125 -2.910 10.621 -5.619 1.00 0.00 N ATOM 569 CA PRO A 125 -3.621 10.611 -6.899 1.00 0.00 C ATOM 570 C PRO A 125 -5.045 11.134 -6.807 1.00 0.00 C ATOM 571 O PRO A 125 -5.621 11.242 -5.723 1.00 0.00 O ATOM 572 CB PRO A 125 -3.642 9.133 -7.315 1.00 0.00 C ATOM 573 CG PRO A 125 -2.763 8.414 -6.348 1.00 0.00 C ATOM 574 CD PRO A 125 -2.686 9.266 -5.116 1.00 0.00 C ATOM 0 HA PRO A 125 -3.122 11.268 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -4.657 8.736 -7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.279 9.011 -8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -3.170 7.431 -6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -1.771 8.256 -6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -3.441 8.981 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -1.716 9.176 -4.626 1.00 0.00 H new ATOM 582 N ASN A 126 -5.593 11.490 -7.952 1.00 0.00 N ATOM 583 CA ASN A 126 -6.982 11.898 -8.044 1.00 0.00 C ATOM 584 C ASN A 126 -7.824 10.767 -8.622 1.00 0.00 C ATOM 585 O ASN A 126 -7.387 10.067 -9.538 1.00 0.00 O ATOM 586 CB ASN A 126 -7.116 13.164 -8.894 1.00 0.00 C ATOM 587 CG ASN A 126 -6.366 14.339 -8.290 1.00 0.00 C ATOM 588 OD1 ASN A 126 -5.189 14.558 -8.582 1.00 0.00 O ATOM 589 ND2 ASN A 126 -7.037 15.096 -7.433 1.00 0.00 N ATOM 0 H ASN A 126 -5.092 11.505 -8.840 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.347 12.124 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -6.736 12.969 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.170 13.421 -8.997 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -6.580 15.893 -6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -8.011 14.882 -7.217 1.00 0.00 H new ATOM 596 N GLY A 127 -9.013 10.572 -8.073 1.00 0.00 N ATOM 597 CA GLY A 127 -9.908 9.551 -8.584 1.00 0.00 C ATOM 598 C GLY A 127 -9.849 8.258 -7.790 1.00 0.00 C ATOM 599 O GLY A 127 -9.724 8.277 -6.566 1.00 0.00 O ATOM 0 H GLY A 127 -9.376 11.103 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -10.929 9.932 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -9.657 9.344 -9.624 1.00 0.00 H new ATOM 603 N GLU A 128 -9.919 7.138 -8.497 1.00 0.00 N ATOM 604 CA GLU A 128 -9.944 5.820 -7.882 1.00 0.00 C ATOM 605 C GLU A 128 -8.539 5.240 -7.832 1.00 0.00 C ATOM 606 O GLU A 128 -8.012 4.776 -8.847 1.00 0.00 O ATOM 607 CB GLU A 128 -10.853 4.894 -8.694 1.00 0.00 C ATOM 608 CG GLU A 128 -11.011 3.506 -8.104 1.00 0.00 C ATOM 609 CD GLU A 128 -11.755 2.561 -9.033 1.00 0.00 C ATOM 610 OE1 GLU A 128 -11.105 1.939 -9.902 1.00 0.00 O ATOM 611 OE2 GLU A 128 -12.989 2.433 -8.896 1.00 0.00 O ATOM 0 H GLU A 128 -9.960 7.119 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.327 5.909 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.837 5.354 -8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.453 4.804 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.026 3.094 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.546 3.576 -7.157 1.00 0.00 H new ATOM 618 N TRP A 129 -7.920 5.282 -6.670 1.00 0.00 N ATOM 619 CA TRP A 129 -6.624 4.663 -6.509 1.00 0.00 C ATOM 620 C TRP A 129 -6.771 3.317 -5.831 1.00 0.00 C ATOM 621 O TRP A 129 -7.521 3.170 -4.864 1.00 0.00 O ATOM 622 CB TRP A 129 -5.663 5.544 -5.719 1.00 0.00 C ATOM 623 CG TRP A 129 -4.329 4.899 -5.503 1.00 0.00 C ATOM 624 CD1 TRP A 129 -3.247 4.950 -6.334 1.00 0.00 C ATOM 625 CD2 TRP A 129 -3.941 4.095 -4.386 1.00 0.00 C ATOM 626 NE1 TRP A 129 -2.216 4.212 -5.806 1.00 0.00 N ATOM 627 CE2 TRP A 129 -2.620 3.677 -4.609 1.00 0.00 C ATOM 628 CE3 TRP A 129 -4.587 3.681 -3.220 1.00 0.00 C ATOM 629 CZ2 TRP A 129 -1.935 2.870 -3.704 1.00 0.00 C ATOM 630 CZ3 TRP A 129 -3.904 2.883 -2.328 1.00 0.00 C ATOM 631 CH2 TRP A 129 -2.591 2.482 -2.576 1.00 0.00 C ATOM 0 H TRP A 129 -8.289 5.733 -5.833 1.00 0.00 H new ATOM 0 HA TRP A 129 -6.201 4.526 -7.504 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -5.524 6.487 -6.247 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -6.107 5.782 -4.752 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -3.208 5.491 -7.268 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -1.299 4.083 -6.234 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -5.605 3.981 -3.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -0.917 2.562 -3.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -4.394 2.562 -1.421 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -2.085 1.852 -1.859 1.00 0.00 H new ATOM 642 N LEU A 130 -6.055 2.340 -6.346 1.00 0.00 N ATOM 643 CA LEU A 130 -6.056 1.012 -5.768 1.00 0.00 C ATOM 644 C LEU A 130 -4.656 0.620 -5.344 1.00 0.00 C ATOM 645 O LEU A 130 -3.671 0.972 -5.994 1.00 0.00 O ATOM 646 CB LEU A 130 -6.606 -0.033 -6.744 1.00 0.00 C ATOM 647 CG LEU A 130 -8.121 -0.016 -6.963 1.00 0.00 C ATOM 648 CD1 LEU A 130 -8.845 0.448 -5.712 1.00 0.00 C ATOM 649 CD2 LEU A 130 -8.494 0.850 -8.154 1.00 0.00 C ATOM 0 H LEU A 130 -5.461 2.441 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 130 -6.709 1.040 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.118 0.108 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.322 -1.022 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 130 -8.436 -1.037 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -9.920 0.451 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -8.618 -0.229 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.518 1.455 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -9.576 0.843 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.156 1.872 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.017 0.458 -9.052 1.00 0.00 H new ATOM 661 N CYS A 131 -4.579 -0.104 -4.241 1.00 0.00 N ATOM 662 CA CYS A 131 -3.308 -0.605 -3.746 1.00 0.00 C ATOM 663 C CYS A 131 -2.806 -1.700 -4.688 1.00 0.00 C ATOM 664 O CYS A 131 -3.596 -2.281 -5.431 1.00 0.00 O ATOM 665 CB CYS A 131 -3.470 -1.154 -2.324 1.00 0.00 C ATOM 666 SG CYS A 131 -4.287 -2.763 -2.238 1.00 0.00 S ATOM 0 H CYS A 131 -5.384 -0.359 -3.669 1.00 0.00 H new ATOM 0 HA CYS A 131 -2.582 0.207 -3.714 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -2.485 -1.234 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.041 -0.438 -1.733 1.00 0.00 H new ATOM 0 HG CYS A 131 -5.230 -2.724 -1.344 1.00 0.00 H new ATOM 671 N PRO A 132 -1.491 -2.002 -4.655 1.00 0.00 N ATOM 672 CA PRO A 132 -0.849 -2.967 -5.571 1.00 0.00 C ATOM 673 C PRO A 132 -1.487 -4.357 -5.572 1.00 0.00 C ATOM 674 O PRO A 132 -1.193 -5.178 -6.440 1.00 0.00 O ATOM 675 CB PRO A 132 0.586 -3.057 -5.048 1.00 0.00 C ATOM 676 CG PRO A 132 0.812 -1.775 -4.334 1.00 0.00 C ATOM 677 CD PRO A 132 -0.511 -1.403 -3.732 1.00 0.00 C ATOM 0 HA PRO A 132 -0.942 -2.629 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.710 -3.909 -4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 132 1.297 -3.186 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 132 1.575 -1.886 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.161 -1.002 -5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -0.617 -1.799 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -0.632 -0.322 -3.665 1.00 0.00 H new ATOM 685 N ARG A 133 -2.332 -4.632 -4.590 1.00 0.00 N ATOM 686 CA ARG A 133 -3.032 -5.905 -4.530 1.00 0.00 C ATOM 687 C ARG A 133 -4.353 -5.836 -5.289 1.00 0.00 C ATOM 688 O ARG A 133 -4.791 -6.815 -5.890 1.00 0.00 O ATOM 689 CB ARG A 133 -3.275 -6.309 -3.080 1.00 0.00 C ATOM 690 CG ARG A 133 -2.615 -7.625 -2.702 1.00 0.00 C ATOM 691 CD ARG A 133 -1.098 -7.510 -2.590 1.00 0.00 C ATOM 692 NE ARG A 133 -0.457 -7.238 -3.879 1.00 0.00 N ATOM 693 CZ ARG A 133 0.823 -6.890 -4.019 1.00 0.00 C ATOM 694 NH1 ARG A 133 1.613 -6.799 -2.955 1.00 0.00 N ATOM 695 NH2 ARG A 133 1.312 -6.635 -5.227 1.00 0.00 N ATOM 0 H ARG A 133 -2.549 -3.992 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 133 -2.405 -6.660 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -2.902 -5.522 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -4.348 -6.386 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -3.021 -7.971 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -2.864 -8.380 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -0.848 -6.713 -1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.697 -8.435 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.025 -7.320 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.241 -6.996 -2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.591 -6.533 -3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 133 0.709 -6.705 -6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.291 -6.369 -5.335 1.00 0.00 H new ATOM 709 N CYS A 134 -4.978 -4.668 -5.259 1.00 0.00 N ATOM 710 CA CYS A 134 -6.258 -4.459 -5.931 1.00 0.00 C ATOM 711 C CYS A 134 -6.064 -4.048 -7.390 1.00 0.00 C ATOM 712 O CYS A 134 -6.997 -4.115 -8.188 1.00 0.00 O ATOM 713 CB CYS A 134 -7.084 -3.403 -5.194 1.00 0.00 C ATOM 714 SG CYS A 134 -7.583 -3.887 -3.523 1.00 0.00 S ATOM 0 H CYS A 134 -4.620 -3.845 -4.775 1.00 0.00 H new ATOM 0 HA CYS A 134 -6.796 -5.407 -5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.506 -2.481 -5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.977 -3.183 -5.779 1.00 0.00 H new ATOM 0 HG CYS A 134 -6.616 -3.636 -2.691 1.00 0.00 H new ATOM 719 N THR A 135 -4.852 -3.625 -7.740 1.00 0.00 N ATOM 720 CA THR A 135 -4.546 -3.231 -9.113 1.00 0.00 C ATOM 721 C THR A 135 -4.467 -4.444 -10.029 1.00 0.00 C ATOM 722 O THR A 135 -4.390 -4.318 -11.255 1.00 0.00 O ATOM 723 CB THR A 135 -3.225 -2.446 -9.188 1.00 0.00 C ATOM 724 OG1 THR A 135 -2.228 -3.094 -8.389 1.00 0.00 O ATOM 725 CG2 THR A 135 -3.414 -1.014 -8.717 1.00 0.00 C ATOM 0 H THR A 135 -4.067 -3.546 -7.093 1.00 0.00 H new ATOM 0 HA THR A 135 -5.358 -2.586 -9.448 1.00 0.00 H new ATOM 0 HB THR A 135 -2.899 -2.423 -10.228 1.00 0.00 H new ATOM 0 HG1 THR A 135 -1.338 -2.803 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 135 -2.465 -0.482 -8.780 1.00 0.00 H new ATOM 0 HG22 THR A 135 -4.151 -0.518 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 135 -3.762 -1.014 -7.684 1.00 0.00 H new ATOM 852 N ARG B 145 -7.569 9.884 -1.716 1.00 0.00 N ATOM 853 CA ARG B 145 -7.709 9.815 -0.252 1.00 0.00 C ATOM 854 C ARG B 145 -6.393 9.446 0.436 1.00 0.00 C ATOM 855 O ARG B 145 -5.697 8.531 0.020 1.00 0.00 O ATOM 856 CB ARG B 145 -8.796 8.809 0.136 1.00 0.00 C ATOM 857 CG ARG B 145 -9.355 9.008 1.537 1.00 0.00 C ATOM 858 CD ARG B 145 -10.409 7.961 1.854 1.00 0.00 C ATOM 859 NE ARG B 145 -10.858 8.018 3.244 1.00 0.00 N ATOM 860 CZ ARG B 145 -12.117 7.803 3.626 1.00 0.00 C ATOM 861 NH1 ARG B 145 -13.063 7.577 2.720 1.00 0.00 N ATOM 862 NH2 ARG B 145 -12.432 7.821 4.915 1.00 0.00 N ATOM 0 HA ARG B 145 -7.996 10.810 0.088 1.00 0.00 H new ATOM 0 HB2 ARG B 145 -9.613 8.878 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG B 145 -8.388 7.801 0.059 1.00 0.00 H new ATOM 0 HG2 ARG B 145 -8.547 8.949 2.267 1.00 0.00 H new ATOM 0 HG3 ARG B 145 -9.789 10.004 1.621 1.00 0.00 H new ATOM 0 HD2 ARG B 145 -11.265 8.101 1.194 1.00 0.00 H new ATOM 0 HD3 ARG B 145 -10.005 6.970 1.647 1.00 0.00 H new ATOM 0 HE ARG B 145 -10.168 8.235 3.963 1.00 0.00 H new ATOM 0 HH11 ARG B 145 -12.827 7.568 1.728 1.00 0.00 H new ATOM 0 HH12 ARG B 145 -14.025 7.413 3.017 1.00 0.00 H new ATOM 0 HH21 ARG B 145 -11.711 7.999 5.614 1.00 0.00 H new ATOM 0 HH22 ARG B 145 -13.395 7.656 5.207 1.00 0.00 H new ATOM 876 N THR B 146 -6.071 10.145 1.511 1.00 0.00 N ATOM 877 CA THR B 146 -4.839 9.897 2.246 1.00 0.00 C ATOM 878 C THR B 146 -5.010 10.214 3.727 1.00 0.00 C ATOM 879 O THR B 146 -5.675 11.185 4.087 1.00 0.00 O ATOM 880 CB THR B 146 -3.689 10.750 1.691 1.00 0.00 C ATOM 881 OG1 THR B 146 -4.201 11.756 0.805 1.00 0.00 O ATOM 882 CG2 THR B 146 -2.669 9.884 0.980 1.00 0.00 C ATOM 0 H THR B 146 -6.648 10.893 1.897 1.00 0.00 H new ATOM 0 HA THR B 146 -4.602 8.840 2.127 1.00 0.00 H new ATOM 0 HB THR B 146 -3.191 11.241 2.527 1.00 0.00 H new ATOM 0 HG1 THR B 146 -3.835 12.630 1.056 1.00 0.00 H new ATOM 0 HG21 THR B 146 -1.864 10.511 0.596 1.00 0.00 H new ATOM 0 HG22 THR B 146 -2.259 9.156 1.680 1.00 0.00 H new ATOM 0 HG23 THR B 146 -3.149 9.362 0.152 1.00 0.00 H new ATOM 890 N LYS B 147 -4.427 9.385 4.584 1.00 0.00 N ATOM 891 CA LYS B 147 -4.380 9.682 6.008 1.00 0.00 C ATOM 892 C LYS B 147 -2.984 10.145 6.371 1.00 0.00 C ATOM 893 O LYS B 147 -2.053 9.961 5.605 1.00 0.00 O ATOM 894 CB LYS B 147 -4.760 8.461 6.864 1.00 0.00 C ATOM 895 CG LYS B 147 -4.811 8.744 8.358 1.00 0.00 C ATOM 896 CD LYS B 147 -5.667 7.739 9.108 1.00 0.00 C ATOM 897 CE LYS B 147 -5.117 6.328 9.016 1.00 0.00 C ATOM 898 NZ LYS B 147 -5.988 5.358 9.736 1.00 0.00 N ATOM 0 H LYS B 147 -3.982 8.506 4.319 1.00 0.00 H new ATOM 0 HA LYS B 147 -5.108 10.466 6.215 1.00 0.00 H new ATOM 0 HB2 LYS B 147 -5.734 8.093 6.541 1.00 0.00 H new ATOM 0 HB3 LYS B 147 -4.040 7.663 6.680 1.00 0.00 H new ATOM 0 HG2 LYS B 147 -3.799 8.729 8.763 1.00 0.00 H new ATOM 0 HG3 LYS B 147 -5.205 9.747 8.522 1.00 0.00 H new ATOM 0 HD2 LYS B 147 -5.733 8.033 10.156 1.00 0.00 H new ATOM 0 HD3 LYS B 147 -6.680 7.758 8.707 1.00 0.00 H new ATOM 0 HE2 LYS B 147 -5.032 6.036 7.969 1.00 0.00 H new ATOM 0 HE3 LYS B 147 -4.112 6.299 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 147 -5.521 5.059 10.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 147 -6.897 5.809 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 147 -6.154 4.527 9.133 1.00 0.00 H new ATOM 912 N GLN B 148 -2.867 10.743 7.530 1.00 0.00 N ATOM 913 CA GLN B 148 -1.586 11.178 8.071 1.00 0.00 C ATOM 914 C GLN B 148 -1.624 11.010 9.581 1.00 0.00 C ATOM 915 O GLN B 148 -2.288 11.775 10.282 1.00 0.00 O ATOM 916 CB GLN B 148 -1.300 12.630 7.687 1.00 0.00 C ATOM 917 CG GLN B 148 -0.583 12.750 6.353 1.00 0.00 C ATOM 918 CD GLN B 148 0.913 12.620 6.473 1.00 0.00 C ATOM 919 OE1 GLN B 148 1.431 12.004 7.405 1.00 0.00 O ATOM 920 NE2 GLN B 148 1.612 13.153 5.495 1.00 0.00 N ATOM 0 H GLN B 148 -3.661 10.947 8.137 1.00 0.00 H new ATOM 0 HA GLN B 148 -0.782 10.572 7.655 1.00 0.00 H new ATOM 0 HB2 GLN B 148 -2.239 13.182 7.642 1.00 0.00 H new ATOM 0 HB3 GLN B 148 -0.694 13.095 8.464 1.00 0.00 H new ATOM 0 HG2 GLN B 148 -0.956 11.981 5.676 1.00 0.00 H new ATOM 0 HG3 GLN B 148 -0.823 13.713 5.903 1.00 0.00 H new ATOM 0 HE21 GLN B 148 1.138 13.655 4.744 1.00 0.00 H new ATOM 0 HE22 GLN B 148 2.628 13.065 5.487 1.00 0.00 H new ATOM 929 N THR B 149 -0.950 9.988 10.076 1.00 0.00 N ATOM 930 CA THR B 149 -1.096 9.593 11.469 1.00 0.00 C ATOM 931 C THR B 149 0.218 9.745 12.251 1.00 0.00 C ATOM 932 O THR B 149 0.432 10.767 12.905 1.00 0.00 O ATOM 933 CB THR B 149 -1.683 8.154 11.567 1.00 0.00 C ATOM 934 OG1 THR B 149 -1.347 7.520 12.807 1.00 0.00 O ATOM 935 CG2 THR B 149 -1.227 7.291 10.402 1.00 0.00 C ATOM 0 H THR B 149 -0.298 9.417 9.538 1.00 0.00 H new ATOM 0 HA THR B 149 -1.806 10.272 11.942 1.00 0.00 H new ATOM 0 HB THR B 149 -2.767 8.257 11.524 1.00 0.00 H new ATOM 0 HG1 THR B 149 -1.289 6.551 12.674 1.00 0.00 H new ATOM 0 HG21 THR B 149 -1.654 6.293 10.500 1.00 0.00 H new ATOM 0 HG22 THR B 149 -1.560 7.738 9.466 1.00 0.00 H new ATOM 0 HG23 THR B 149 -0.139 7.222 10.404 1.00 0.00 H new ATOM 943 N ALA B 150 1.094 8.751 12.178 1.00 0.00 N ATOM 944 CA ALA B 150 2.385 8.812 12.858 1.00 0.00 C ATOM 945 C ALA B 150 3.408 7.935 12.153 1.00 0.00 C ATOM 946 O ALA B 150 3.533 6.746 12.443 1.00 0.00 O ATOM 947 CB ALA B 150 2.250 8.394 14.312 1.00 0.00 C ATOM 0 H ALA B 150 0.935 7.890 11.654 1.00 0.00 H new ATOM 0 HA ALA B 150 2.732 9.845 12.826 1.00 0.00 H new ATOM 0 HB1 ALA B 150 3.224 8.447 14.798 1.00 0.00 H new ATOM 0 HB2 ALA B 150 1.554 9.062 14.820 1.00 0.00 H new ATOM 0 HB3 ALA B 150 1.874 7.372 14.363 1.00 0.00 H new ATOM 953 N ARG B 151 4.130 8.524 11.216 1.00 0.00 N ATOM 954 CA ARG B 151 5.122 7.791 10.443 1.00 0.00 C ATOM 955 C ARG B 151 6.431 7.736 11.220 1.00 0.00 C ATOM 956 O ARG B 151 6.967 8.764 11.629 1.00 0.00 O ATOM 957 CB ARG B 151 5.323 8.403 9.036 1.00 0.00 C ATOM 958 CG ARG B 151 5.608 9.885 9.041 1.00 0.00 C ATOM 959 CD ARG B 151 4.333 10.683 9.235 1.00 0.00 C ATOM 960 NE ARG B 151 4.566 12.124 9.219 1.00 0.00 N ATOM 961 CZ ARG B 151 3.672 13.027 9.611 1.00 0.00 C ATOM 962 NH1 ARG B 151 2.502 12.641 10.105 1.00 0.00 N ATOM 963 NH2 ARG B 151 3.959 14.315 9.516 1.00 0.00 N ATOM 0 H ARG B 151 4.049 9.511 10.970 1.00 0.00 H new ATOM 0 HA ARG B 151 4.760 6.775 10.288 1.00 0.00 H new ATOM 0 HB2 ARG B 151 6.147 7.888 8.542 1.00 0.00 H new ATOM 0 HB3 ARG B 151 4.429 8.218 8.441 1.00 0.00 H new ATOM 0 HG2 ARG B 151 6.313 10.121 9.838 1.00 0.00 H new ATOM 0 HG3 ARG B 151 6.081 10.171 8.102 1.00 0.00 H new ATOM 0 HD2 ARG B 151 3.624 10.424 8.449 1.00 0.00 H new ATOM 0 HD3 ARG B 151 3.874 10.403 10.183 1.00 0.00 H new ATOM 0 HE ARG B 151 5.470 12.459 8.887 1.00 0.00 H new ATOM 0 HH11 ARG B 151 2.285 11.648 10.185 1.00 0.00 H new ATOM 0 HH12 ARG B 151 1.820 13.338 10.404 1.00 0.00 H new ATOM 0 HH21 ARG B 151 4.862 14.610 9.144 1.00 0.00 H new ATOM 0 HH22 ARG B 151 3.278 15.013 9.815 1.00 0.00 H new