USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 149 SER OG : rot 180:sc= 1.05 USER MOD Set 1.2: A 152 CYS SG : rot 81:sc= 0.658 USER MOD Single : A 103 MET CE :methyl 137:sc= -0.144 (180deg=-0.982) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 112 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.6!) USER MOD Single : A 113 LYS NZ :NH3+ -167:sc= -0.0042 (180deg=-0.167) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0.874 K(o=0.87,f=-4.9!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 131 SER OG : rot 100:sc= -1.2 USER MOD Single : A 132 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.088) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 79:sc= 0.0735 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -126:sc= -0.435 (180deg=-3.05!) USER MOD Single : A 156 TYR OH : rot 67:sc= 1.18 USER MOD Single : A 157 MET CE :methyl 140:sc= -0.202 (180deg=-1.34!) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.004 10.580 -10.592 1.00 0.00 N ATOM 101 CA MET A 103 59.822 10.108 -9.223 1.00 0.00 C ATOM 102 C MET A 103 61.170 9.914 -8.534 1.00 0.00 C ATOM 103 O MET A 103 61.362 10.339 -7.394 1.00 0.00 O ATOM 104 CB MET A 103 59.052 8.787 -9.224 1.00 0.00 C ATOM 105 CG MET A 103 57.620 9.031 -9.703 1.00 0.00 C ATOM 106 SD MET A 103 56.657 7.508 -9.530 1.00 0.00 S ATOM 107 CE MET A 103 56.526 7.527 -7.724 1.00 0.00 C ATOM 0 HA MET A 103 59.254 10.860 -8.674 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.547 8.066 -9.875 1.00 0.00 H new ATOM 0 HB3 MET A 103 59.043 8.358 -8.222 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.162 9.831 -9.121 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.624 9.355 -10.744 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.510 7.262 -7.430 1.00 0.00 H new ATOM 0 HE2 MET A 103 57.226 6.806 -7.301 1.00 0.00 H new ATOM 0 HE3 MET A 103 56.763 8.524 -7.352 1.00 0.00 H new ATOM 117 N LEU A 104 62.114 9.301 -9.247 1.00 0.00 N ATOM 118 CA LEU A 104 63.437 9.033 -8.689 1.00 0.00 C ATOM 119 C LEU A 104 64.069 10.308 -8.135 1.00 0.00 C ATOM 120 O LEU A 104 64.475 10.361 -6.975 1.00 0.00 O ATOM 121 CB LEU A 104 64.353 8.454 -9.776 1.00 0.00 C ATOM 122 CG LEU A 104 64.168 6.937 -9.873 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.717 6.440 -11.215 1.00 0.00 C ATOM 124 CD2 LEU A 104 64.929 6.260 -8.730 1.00 0.00 C ATOM 0 H LEU A 104 61.988 8.982 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 104 63.320 8.316 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.127 8.917 -10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.393 8.687 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 104 63.108 6.694 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 104 64.586 5.360 -11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.179 6.924 -12.030 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.777 6.682 -11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 104 64.799 5.180 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 104 65.989 6.503 -8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 104 64.541 6.614 -7.775 1.00 0.00 H new ATOM 136 N ALA A 105 64.107 11.350 -8.958 1.00 0.00 N ATOM 137 CA ALA A 105 64.797 12.577 -8.581 1.00 0.00 C ATOM 138 C ALA A 105 64.138 13.249 -7.383 1.00 0.00 C ATOM 139 O ALA A 105 64.815 13.596 -6.418 1.00 0.00 O ATOM 140 CB ALA A 105 64.821 13.547 -9.764 1.00 0.00 C ATOM 0 H ALA A 105 63.673 11.370 -9.881 1.00 0.00 H new ATOM 0 HA ALA A 105 65.816 12.310 -8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.338 14.462 -9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.342 13.085 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 105 63.799 13.786 -10.059 1.00 0.00 H new ATOM 146 N THR A 106 62.819 13.416 -7.428 1.00 0.00 N ATOM 147 CA THR A 106 62.116 14.127 -6.363 1.00 0.00 C ATOM 148 C THR A 106 62.422 13.529 -4.991 1.00 0.00 C ATOM 149 O THR A 106 62.873 14.236 -4.085 1.00 0.00 O ATOM 150 CB THR A 106 60.607 14.086 -6.615 1.00 0.00 C ATOM 151 OG1 THR A 106 60.337 14.544 -7.932 1.00 0.00 O ATOM 152 CG2 THR A 106 59.894 14.985 -5.603 1.00 0.00 C ATOM 0 H THR A 106 62.221 13.074 -8.180 1.00 0.00 H new ATOM 0 HA THR A 106 62.464 15.160 -6.368 1.00 0.00 H new ATOM 0 HB THR A 106 60.247 13.063 -6.505 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.371 14.517 -8.096 1.00 0.00 H new ATOM 0 HG21 THR A 106 58.819 14.955 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.102 14.632 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.252 16.009 -5.711 1.00 0.00 H new ATOM 160 N ARG A 107 62.210 12.223 -4.847 1.00 0.00 N ATOM 161 CA ARG A 107 62.430 11.577 -3.558 1.00 0.00 C ATOM 162 C ARG A 107 63.900 11.652 -3.154 1.00 0.00 C ATOM 163 O ARG A 107 64.211 11.849 -1.980 1.00 0.00 O ATOM 164 CB ARG A 107 61.951 10.125 -3.593 1.00 0.00 C ATOM 165 CG ARG A 107 60.423 10.109 -3.688 1.00 0.00 C ATOM 166 CD ARG A 107 59.887 8.732 -3.291 1.00 0.00 C ATOM 167 NE ARG A 107 58.442 8.665 -3.527 1.00 0.00 N ATOM 168 CZ ARG A 107 57.537 9.302 -2.769 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.880 10.041 -1.743 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.271 9.182 -3.063 1.00 0.00 N ATOM 0 H ARG A 107 61.892 11.602 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 107 61.847 12.111 -2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 107 62.387 9.605 -4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.278 9.598 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.002 10.874 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.111 10.350 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.393 7.957 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.101 8.540 -2.240 1.00 0.00 H new ATOM 0 HE ARG A 107 58.106 8.104 -4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.864 10.147 -1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 107 57.163 10.510 -1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 107 55.984 8.611 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.569 9.659 -2.498 1.00 0.00 H new ATOM 184 N GLU A 108 64.806 11.528 -4.125 1.00 0.00 N ATOM 185 CA GLU A 108 66.231 11.622 -3.829 1.00 0.00 C ATOM 186 C GLU A 108 66.567 12.995 -3.252 1.00 0.00 C ATOM 187 O GLU A 108 67.362 13.097 -2.320 1.00 0.00 O ATOM 188 CB GLU A 108 67.059 11.363 -5.092 1.00 0.00 C ATOM 189 CG GLU A 108 68.554 11.364 -4.740 1.00 0.00 C ATOM 190 CD GLU A 108 69.422 10.987 -5.943 1.00 0.00 C ATOM 191 OE1 GLU A 108 68.914 10.943 -7.055 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.601 10.754 -5.734 1.00 0.00 O ATOM 0 H GLU A 108 64.581 11.365 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 108 66.478 10.862 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 108 66.780 10.406 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 108 66.851 12.129 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 108 68.842 12.352 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 108 68.736 10.662 -3.926 1.00 0.00 H new ATOM 199 N GLN A 109 65.958 14.043 -3.798 1.00 0.00 N ATOM 200 CA GLN A 109 66.236 15.395 -3.330 1.00 0.00 C ATOM 201 C GLN A 109 65.901 15.518 -1.850 1.00 0.00 C ATOM 202 O GLN A 109 66.688 16.049 -1.067 1.00 0.00 O ATOM 203 CB GLN A 109 65.422 16.413 -4.131 1.00 0.00 C ATOM 204 CG GLN A 109 65.980 16.512 -5.553 1.00 0.00 C ATOM 205 CD GLN A 109 65.111 17.435 -6.403 1.00 0.00 C ATOM 206 OE1 GLN A 109 63.943 17.666 -6.085 1.00 0.00 O ATOM 207 NE2 GLN A 109 65.615 17.982 -7.476 1.00 0.00 N ATOM 0 H GLN A 109 65.277 13.984 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 109 67.297 15.599 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 109 64.374 16.114 -4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 109 65.461 17.388 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 109 67.002 16.890 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.019 15.521 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 109 66.582 17.791 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.042 18.600 -8.051 1.00 0.00 H new ATOM 216 N GLU A 110 64.741 14.998 -1.467 1.00 0.00 N ATOM 217 CA GLU A 110 64.317 15.064 -0.073 1.00 0.00 C ATOM 218 C GLU A 110 65.323 14.352 0.827 1.00 0.00 C ATOM 219 O GLU A 110 65.720 14.875 1.867 1.00 0.00 O ATOM 220 CB GLU A 110 62.938 14.422 0.087 1.00 0.00 C ATOM 221 CG GLU A 110 61.913 15.199 -0.740 1.00 0.00 C ATOM 222 CD GLU A 110 60.514 14.644 -0.494 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.216 13.586 -1.024 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.761 15.285 0.221 1.00 0.00 O ATOM 0 H GLU A 110 64.084 14.532 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 110 64.263 16.112 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 110 62.970 13.382 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.646 14.419 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 110 61.946 16.256 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.160 15.129 -1.799 1.00 0.00 H new ATOM 231 N ALA A 111 65.752 13.168 0.408 1.00 0.00 N ATOM 232 CA ALA A 111 66.695 12.386 1.200 1.00 0.00 C ATOM 233 C ALA A 111 67.996 13.155 1.399 1.00 0.00 C ATOM 234 O ALA A 111 68.507 13.254 2.514 1.00 0.00 O ATOM 235 CB ALA A 111 66.988 11.057 0.500 1.00 0.00 C ATOM 0 H ALA A 111 65.466 12.731 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 111 66.248 12.193 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.693 10.479 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.062 10.494 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.418 11.250 -0.483 1.00 0.00 H new ATOM 241 N ASN A 112 68.523 13.705 0.312 1.00 0.00 N ATOM 242 CA ASN A 112 69.785 14.434 0.368 1.00 0.00 C ATOM 243 C ASN A 112 69.695 15.607 1.338 1.00 0.00 C ATOM 244 O ASN A 112 70.625 15.865 2.101 1.00 0.00 O ATOM 245 CB ASN A 112 70.152 14.950 -1.025 1.00 0.00 C ATOM 246 CG ASN A 112 71.578 15.489 -1.026 1.00 0.00 C ATOM 247 OD1 ASN A 112 72.405 15.060 -0.221 1.00 0.00 O ATOM 248 ND2 ASN A 112 71.916 16.410 -1.887 1.00 0.00 N ATOM 0 H ASN A 112 68.099 13.661 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 112 70.557 13.750 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.058 14.146 -1.755 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.458 15.735 -1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 112 72.868 16.777 -1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 112 71.228 16.763 -2.552 1.00 0.00 H new ATOM 255 N LYS A 113 68.569 16.314 1.305 1.00 0.00 N ATOM 256 CA LYS A 113 68.379 17.463 2.182 1.00 0.00 C ATOM 257 C LYS A 113 68.477 17.029 3.639 1.00 0.00 C ATOM 258 O LYS A 113 69.162 17.659 4.445 1.00 0.00 O ATOM 259 CB LYS A 113 67.011 18.098 1.924 1.00 0.00 C ATOM 260 CG LYS A 113 66.879 19.382 2.746 1.00 0.00 C ATOM 261 CD LYS A 113 65.480 19.970 2.551 1.00 0.00 C ATOM 262 CE LYS A 113 65.392 21.326 3.256 1.00 0.00 C ATOM 263 NZ LYS A 113 65.437 21.120 4.731 1.00 0.00 N ATOM 0 H LYS A 113 67.782 16.114 0.687 1.00 0.00 H new ATOM 0 HA LYS A 113 69.158 18.196 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.896 18.320 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.218 17.400 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 113 67.053 19.171 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.635 20.104 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 113 65.268 20.087 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 113 64.729 19.290 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 113 66.216 21.966 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 113 64.469 21.835 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 65.159 21.999 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 64.781 20.358 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 66.403 20.859 5.016 1.00 0.00 H new ATOM 277 N ASP A 114 67.781 15.944 3.965 1.00 0.00 N ATOM 278 CA ASP A 114 67.818 15.387 5.314 1.00 0.00 C ATOM 279 C ASP A 114 68.205 13.913 5.269 1.00 0.00 C ATOM 280 O ASP A 114 67.447 13.072 4.786 1.00 0.00 O ATOM 281 CB ASP A 114 66.445 15.534 5.975 1.00 0.00 C ATOM 282 CG ASP A 114 66.519 15.095 7.433 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.908 15.906 8.257 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.185 13.953 7.705 1.00 0.00 O ATOM 0 H ASP A 114 67.185 15.433 3.314 1.00 0.00 H new ATOM 0 HA ASP A 114 68.562 15.932 5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 114 66.112 16.570 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.709 14.932 5.442 1.00 0.00 H new ATOM 289 N LEU A 115 69.398 13.601 5.765 1.00 0.00 N ATOM 290 CA LEU A 115 69.859 12.212 5.803 1.00 0.00 C ATOM 291 C LEU A 115 69.573 11.525 7.145 1.00 0.00 C ATOM 292 O LEU A 115 69.716 10.308 7.249 1.00 0.00 O ATOM 293 CB LEU A 115 71.362 12.146 5.515 1.00 0.00 C ATOM 294 CG LEU A 115 71.645 12.578 4.074 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.157 12.711 3.872 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.103 11.528 3.101 1.00 0.00 C ATOM 0 H LEU A 115 70.059 14.280 6.143 1.00 0.00 H new ATOM 0 HA LEU A 115 69.300 11.679 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.901 12.792 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.726 11.131 5.676 1.00 0.00 H new ATOM 0 HG LEU A 115 71.158 13.535 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.361 13.019 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.552 13.458 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.636 11.751 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.307 11.841 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.588 10.571 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 115 70.027 11.424 3.241 1.00 0.00 H new ATOM 308 N THR A 116 69.189 12.284 8.172 1.00 0.00 N ATOM 309 CA THR A 116 68.941 11.705 9.493 1.00 0.00 C ATOM 310 C THR A 116 67.477 11.293 9.699 1.00 0.00 C ATOM 311 O THR A 116 67.062 11.053 10.833 1.00 0.00 O ATOM 312 CB THR A 116 69.332 12.716 10.574 1.00 0.00 C ATOM 313 OG1 THR A 116 68.543 13.888 10.431 1.00 0.00 O ATOM 314 CG2 THR A 116 70.813 13.074 10.431 1.00 0.00 C ATOM 0 H THR A 116 69.044 13.292 8.116 1.00 0.00 H new ATOM 0 HA THR A 116 69.547 10.802 9.564 1.00 0.00 H new ATOM 0 HB THR A 116 69.161 12.280 11.558 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.791 14.536 11.123 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.089 13.794 11.201 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.417 12.174 10.542 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.989 13.510 9.447 1.00 0.00 H new ATOM 322 N SER A 117 66.694 11.206 8.623 1.00 0.00 N ATOM 323 CA SER A 117 65.297 10.791 8.732 1.00 0.00 C ATOM 324 C SER A 117 65.117 9.376 8.169 1.00 0.00 C ATOM 325 O SER A 117 64.909 9.231 6.963 1.00 0.00 O ATOM 326 CB SER A 117 64.417 11.760 7.940 1.00 0.00 C ATOM 327 OG SER A 117 63.111 11.213 7.820 1.00 0.00 O ATOM 0 H SER A 117 67.001 11.416 7.673 1.00 0.00 H new ATOM 0 HA SER A 117 65.008 10.797 9.783 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.375 12.726 8.443 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.844 11.933 6.952 1.00 0.00 H new ATOM 0 HG SER A 117 62.543 11.831 7.315 1.00 0.00 H new ATOM 333 N PRO A 118 65.156 8.341 8.984 1.00 0.00 N ATOM 334 CA PRO A 118 65.098 6.938 8.465 1.00 0.00 C ATOM 335 C PRO A 118 63.966 6.715 7.467 1.00 0.00 C ATOM 336 O PRO A 118 64.139 5.989 6.490 1.00 0.00 O ATOM 337 CB PRO A 118 64.894 6.080 9.714 1.00 0.00 C ATOM 338 CG PRO A 118 65.471 6.876 10.832 1.00 0.00 C ATOM 339 CD PRO A 118 65.286 8.345 10.457 1.00 0.00 C ATOM 0 HA PRO A 118 66.004 6.689 7.913 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.837 5.874 9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.395 5.117 9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.967 6.649 11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.526 6.641 10.972 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.400 8.767 10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.137 8.946 10.778 1.00 0.00 H new ATOM 347 N ASP A 119 62.819 7.346 7.697 1.00 0.00 N ATOM 348 CA ASP A 119 61.681 7.183 6.795 1.00 0.00 C ATOM 349 C ASP A 119 62.061 7.578 5.372 1.00 0.00 C ATOM 350 O ASP A 119 61.903 6.795 4.433 1.00 0.00 O ATOM 351 CB ASP A 119 60.506 8.038 7.272 1.00 0.00 C ATOM 352 CG ASP A 119 60.023 7.553 8.635 1.00 0.00 C ATOM 353 OD1 ASP A 119 60.060 6.355 8.865 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.623 8.387 9.431 1.00 0.00 O ATOM 0 H ASP A 119 62.652 7.967 8.489 1.00 0.00 H new ATOM 0 HA ASP A 119 61.388 6.133 6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.809 9.083 7.336 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.692 7.986 6.549 1.00 0.00 H new ATOM 359 N ALA A 120 62.589 8.789 5.218 1.00 0.00 N ATOM 360 CA ALA A 120 62.972 9.275 3.898 1.00 0.00 C ATOM 361 C ALA A 120 63.993 8.341 3.258 1.00 0.00 C ATOM 362 O ALA A 120 63.881 8.010 2.076 1.00 0.00 O ATOM 363 CB ALA A 120 63.555 10.685 4.000 1.00 0.00 C ATOM 0 H ALA A 120 62.760 9.444 5.981 1.00 0.00 H new ATOM 0 HA ALA A 120 62.080 9.302 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.837 11.035 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.809 11.357 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.436 10.669 4.642 1.00 0.00 H new ATOM 369 N GLN A 121 64.968 7.888 4.045 1.00 0.00 N ATOM 370 CA GLN A 121 66.003 7.005 3.506 1.00 0.00 C ATOM 371 C GLN A 121 65.362 5.740 2.948 1.00 0.00 C ATOM 372 O GLN A 121 65.649 5.338 1.826 1.00 0.00 O ATOM 373 CB GLN A 121 67.052 6.607 4.561 1.00 0.00 C ATOM 374 CG GLN A 121 67.455 7.771 5.484 1.00 0.00 C ATOM 375 CD GLN A 121 67.769 9.050 4.706 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.678 9.073 3.876 1.00 0.00 O ATOM 377 NE2 GLN A 121 67.049 10.118 4.927 1.00 0.00 N ATOM 0 H GLN A 121 65.064 8.111 5.036 1.00 0.00 H new ATOM 0 HA GLN A 121 66.514 7.560 2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.657 5.791 5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.940 6.228 4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.648 7.967 6.190 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.328 7.482 6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.297 10.093 5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.239 10.977 4.411 1.00 0.00 H new ATOM 386 N ALA A 122 64.429 5.163 3.704 1.00 0.00 N ATOM 387 CA ALA A 122 63.796 3.907 3.314 1.00 0.00 C ATOM 388 C ALA A 122 63.200 4.022 1.918 1.00 0.00 C ATOM 389 O ALA A 122 63.438 3.176 1.057 1.00 0.00 O ATOM 390 CB ALA A 122 62.695 3.539 4.311 1.00 0.00 C ATOM 0 H ALA A 122 64.096 5.546 4.589 1.00 0.00 H new ATOM 0 HA ALA A 122 64.556 3.126 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.230 2.600 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.127 3.427 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.942 4.327 4.329 1.00 0.00 H new ATOM 396 N ALA A 123 62.475 5.110 1.686 1.00 0.00 N ATOM 397 CA ALA A 123 61.851 5.322 0.385 1.00 0.00 C ATOM 398 C ALA A 123 62.911 5.349 -0.714 1.00 0.00 C ATOM 399 O ALA A 123 62.756 4.718 -1.759 1.00 0.00 O ATOM 400 CB ALA A 123 61.074 6.640 0.383 1.00 0.00 C ATOM 0 H ALA A 123 62.306 5.848 2.369 1.00 0.00 H new ATOM 0 HA ALA A 123 61.162 4.499 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.612 6.789 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.300 6.607 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.756 7.465 0.591 1.00 0.00 H new ATOM 406 N PHE A 124 64.005 6.060 -0.459 1.00 0.00 N ATOM 407 CA PHE A 124 65.075 6.175 -1.446 1.00 0.00 C ATOM 408 C PHE A 124 65.641 4.801 -1.797 1.00 0.00 C ATOM 409 O PHE A 124 65.859 4.485 -2.966 1.00 0.00 O ATOM 410 CB PHE A 124 66.192 7.070 -0.910 1.00 0.00 C ATOM 411 CG PHE A 124 67.282 7.344 -1.920 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.950 7.675 -3.240 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.627 7.268 -1.536 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.961 7.927 -4.175 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.638 7.519 -2.471 1.00 0.00 C ATOM 416 CZ PHE A 124 69.305 7.849 -3.791 1.00 0.00 C ATOM 0 H PHE A 124 64.174 6.561 0.413 1.00 0.00 H new ATOM 0 HA PHE A 124 64.657 6.620 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.763 8.018 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.632 6.601 -0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.913 7.736 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.884 7.016 -0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.704 8.182 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.675 7.458 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 124 70.085 8.043 -4.512 1.00 0.00 H new ATOM 426 N TYR A 125 65.857 3.974 -0.779 1.00 0.00 N ATOM 427 CA TYR A 125 66.414 2.640 -0.991 1.00 0.00 C ATOM 428 C TYR A 125 65.526 1.849 -1.948 1.00 0.00 C ATOM 429 O TYR A 125 66.002 1.236 -2.904 1.00 0.00 O ATOM 430 CB TYR A 125 66.512 1.883 0.341 1.00 0.00 C ATOM 431 CG TYR A 125 67.619 2.352 1.262 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.948 1.993 1.011 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.312 3.133 2.381 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.966 2.420 1.879 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.324 3.561 3.246 1.00 0.00 C ATOM 436 CZ TYR A 125 69.653 3.206 2.999 1.00 0.00 C ATOM 437 OH TYR A 125 70.649 3.630 3.858 1.00 0.00 O ATOM 0 H TYR A 125 65.657 4.201 0.195 1.00 0.00 H new ATOM 0 HA TYR A 125 67.411 2.749 -1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.560 1.974 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.659 0.824 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.191 1.388 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.286 3.407 2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.992 2.143 1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 125 68.078 4.167 4.106 1.00 0.00 H new ATOM 0 HH TYR A 125 70.254 4.165 4.578 1.00 0.00 H new ATOM 447 N LYS A 126 64.223 1.896 -1.698 1.00 0.00 N ATOM 448 CA LYS A 126 63.268 1.161 -2.517 1.00 0.00 C ATOM 449 C LYS A 126 63.359 1.596 -3.974 1.00 0.00 C ATOM 450 O LYS A 126 63.352 0.764 -4.880 1.00 0.00 O ATOM 451 CB LYS A 126 61.849 1.398 -1.992 1.00 0.00 C ATOM 452 CG LYS A 126 61.727 0.868 -0.556 1.00 0.00 C ATOM 453 CD LYS A 126 60.294 0.411 -0.283 1.00 0.00 C ATOM 454 CE LYS A 126 60.183 -0.093 1.157 1.00 0.00 C ATOM 455 NZ LYS A 126 58.769 -0.459 1.448 1.00 0.00 N ATOM 0 H LYS A 126 63.805 2.433 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 126 63.506 0.099 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.616 2.462 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 126 61.126 0.898 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.416 0.037 -0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 126 62.009 1.647 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.601 1.237 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 126 60.015 -0.380 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 126 60.831 -0.958 1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.520 0.678 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 58.694 -0.802 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 58.162 0.377 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 58.463 -1.208 0.795 1.00 0.00 H new ATOM 469 N LEU A 127 63.467 2.902 -4.195 1.00 0.00 N ATOM 470 CA LEU A 127 63.546 3.428 -5.553 1.00 0.00 C ATOM 471 C LEU A 127 64.739 2.826 -6.286 1.00 0.00 C ATOM 472 O LEU A 127 64.611 2.341 -7.409 1.00 0.00 O ATOM 473 CB LEU A 127 63.690 4.955 -5.521 1.00 0.00 C ATOM 474 CG LEU A 127 62.311 5.618 -5.476 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.480 7.108 -5.172 1.00 0.00 C ATOM 476 CD2 LEU A 127 61.620 5.455 -6.833 1.00 0.00 C ATOM 0 H LEU A 127 63.502 3.609 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 127 62.629 3.161 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.273 5.254 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 127 64.236 5.294 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 127 61.705 5.148 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.501 7.586 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 127 62.976 7.229 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 127 63.084 7.572 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 127 60.638 5.927 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 127 62.224 5.927 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 127 61.505 4.395 -7.058 1.00 0.00 H new ATOM 488 N LEU A 128 65.892 2.839 -5.631 1.00 0.00 N ATOM 489 CA LEU A 128 67.117 2.379 -6.273 1.00 0.00 C ATOM 490 C LEU A 128 66.986 0.927 -6.715 1.00 0.00 C ATOM 491 O LEU A 128 67.455 0.561 -7.791 1.00 0.00 O ATOM 492 CB LEU A 128 68.307 2.528 -5.321 1.00 0.00 C ATOM 493 CG LEU A 128 68.799 3.976 -5.342 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.746 4.211 -4.163 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.545 4.243 -6.653 1.00 0.00 C ATOM 0 H LEU A 128 66.006 3.158 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 128 67.288 2.996 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 128 68.014 2.247 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 128 69.111 1.855 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 128 67.946 4.650 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 128 70.097 5.243 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 128 69.218 4.021 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.599 3.537 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.896 5.275 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.398 3.569 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.873 4.076 -7.495 1.00 0.00 H new ATOM 507 N LEU A 129 66.358 0.102 -5.882 1.00 0.00 N ATOM 508 CA LEU A 129 66.185 -1.307 -6.226 1.00 0.00 C ATOM 509 C LEU A 129 65.277 -1.461 -7.442 1.00 0.00 C ATOM 510 O LEU A 129 65.614 -2.171 -8.390 1.00 0.00 O ATOM 511 CB LEU A 129 65.592 -2.071 -5.042 1.00 0.00 C ATOM 512 CG LEU A 129 66.697 -2.365 -4.028 1.00 0.00 C ATOM 513 CD1 LEU A 129 66.069 -2.688 -2.674 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.526 -3.559 -4.508 1.00 0.00 C ATOM 0 H LEU A 129 65.967 0.377 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 129 67.165 -1.719 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.801 -1.485 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 129 65.139 -3.002 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 129 67.344 -1.493 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.855 -2.898 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.480 -1.836 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.423 -3.560 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.314 -3.769 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.882 -4.433 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.973 -3.327 -5.475 1.00 0.00 H new ATOM 526 N GLN A 130 64.159 -0.746 -7.444 1.00 0.00 N ATOM 527 CA GLN A 130 63.199 -0.855 -8.538 1.00 0.00 C ATOM 528 C GLN A 130 63.847 -0.491 -9.872 1.00 0.00 C ATOM 529 O GLN A 130 63.575 -1.122 -10.894 1.00 0.00 O ATOM 530 CB GLN A 130 62.008 0.070 -8.280 1.00 0.00 C ATOM 531 CG GLN A 130 61.243 -0.415 -7.045 1.00 0.00 C ATOM 532 CD GLN A 130 60.102 0.545 -6.717 1.00 0.00 C ATOM 533 OE1 GLN A 130 60.130 1.710 -7.116 1.00 0.00 O ATOM 534 NE2 GLN A 130 59.092 0.122 -6.007 1.00 0.00 N ATOM 0 H GLN A 130 63.895 -0.090 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 130 62.857 -1.889 -8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.354 1.092 -8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.349 0.082 -9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.846 -1.414 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.921 -0.489 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 130 59.069 -0.843 -5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.325 0.756 -5.782 1.00 0.00 H new ATOM 543 N SER A 131 64.702 0.526 -9.857 1.00 0.00 N ATOM 544 CA SER A 131 65.319 1.009 -11.089 1.00 0.00 C ATOM 545 C SER A 131 66.613 0.267 -11.447 1.00 0.00 C ATOM 546 O SER A 131 67.397 0.762 -12.257 1.00 0.00 O ATOM 547 CB SER A 131 65.611 2.504 -10.956 1.00 0.00 C ATOM 548 OG SER A 131 64.381 3.210 -10.877 1.00 0.00 O ATOM 0 H SER A 131 64.982 1.028 -9.015 1.00 0.00 H new ATOM 0 HA SER A 131 64.611 0.820 -11.896 1.00 0.00 H new ATOM 0 HB2 SER A 131 66.211 2.693 -10.066 1.00 0.00 H new ATOM 0 HB3 SER A 131 66.191 2.852 -11.811 1.00 0.00 H new ATOM 0 HG SER A 131 64.188 3.427 -9.941 1.00 0.00 H new ATOM 554 N ASN A 132 66.846 -0.907 -10.859 1.00 0.00 N ATOM 555 CA ASN A 132 68.013 -1.710 -11.209 1.00 0.00 C ATOM 556 C ASN A 132 69.306 -0.963 -10.883 1.00 0.00 C ATOM 557 O ASN A 132 70.209 -0.847 -11.715 1.00 0.00 O ATOM 558 CB ASN A 132 67.962 -2.076 -12.697 1.00 0.00 C ATOM 559 CG ASN A 132 68.930 -3.218 -12.987 1.00 0.00 C ATOM 560 OD1 ASN A 132 68.778 -4.313 -12.447 1.00 0.00 O ATOM 561 ND2 ASN A 132 69.923 -3.026 -13.812 1.00 0.00 N ATOM 0 H ASN A 132 66.246 -1.319 -10.144 1.00 0.00 H new ATOM 0 HA ASN A 132 67.998 -2.625 -10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 132 66.949 -2.368 -12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.220 -1.207 -13.303 1.00 0.00 H new ATOM 0 HD21 ASN A 132 70.575 -3.785 -14.010 1.00 0.00 H new ATOM 0 HD22 ASN A 132 70.047 -2.117 -14.258 1.00 0.00 H new ATOM 568 N TYR A 133 69.395 -0.458 -9.656 1.00 0.00 N ATOM 569 CA TYR A 133 70.599 0.236 -9.201 1.00 0.00 C ATOM 570 C TYR A 133 71.157 -0.388 -7.907 1.00 0.00 C ATOM 571 O TYR A 133 71.523 0.333 -6.971 1.00 0.00 O ATOM 572 CB TYR A 133 70.259 1.712 -8.959 1.00 0.00 C ATOM 573 CG TYR A 133 70.143 2.543 -10.215 1.00 0.00 C ATOM 574 CD1 TYR A 133 71.277 3.174 -10.739 1.00 0.00 C ATOM 575 CD2 TYR A 133 68.902 2.698 -10.843 1.00 0.00 C ATOM 576 CE1 TYR A 133 71.171 3.956 -11.896 1.00 0.00 C ATOM 577 CE2 TYR A 133 68.795 3.483 -11.998 1.00 0.00 C ATOM 578 CZ TYR A 133 69.930 4.111 -12.525 1.00 0.00 C ATOM 579 OH TYR A 133 69.826 4.884 -13.662 1.00 0.00 O ATOM 0 H TYR A 133 68.652 -0.515 -8.960 1.00 0.00 H new ATOM 0 HA TYR A 133 71.365 0.143 -9.971 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.318 1.770 -8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.026 2.148 -8.320 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.234 3.058 -10.251 1.00 0.00 H new ATOM 0 HD2 TYR A 133 68.027 2.212 -10.437 1.00 0.00 H new ATOM 0 HE1 TYR A 133 72.047 4.440 -12.303 1.00 0.00 H new ATOM 0 HE2 TYR A 133 67.837 3.604 -12.482 1.00 0.00 H new ATOM 0 HH TYR A 133 68.896 4.886 -13.972 1.00 0.00 H new ATOM 589 N PRO A 134 71.327 -1.695 -7.846 1.00 0.00 N ATOM 590 CA PRO A 134 71.783 -2.361 -6.584 1.00 0.00 C ATOM 591 C PRO A 134 73.093 -1.766 -6.073 1.00 0.00 C ATOM 592 O PRO A 134 73.269 -1.564 -4.872 1.00 0.00 O ATOM 593 CB PRO A 134 71.947 -3.840 -6.955 1.00 0.00 C ATOM 594 CG PRO A 134 72.000 -3.878 -8.445 1.00 0.00 C ATOM 595 CD PRO A 134 71.181 -2.684 -8.930 1.00 0.00 C ATOM 0 HA PRO A 134 71.068 -2.220 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.857 -4.254 -6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 134 71.114 -4.433 -6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 134 73.029 -3.815 -8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.589 -4.813 -8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.558 -2.298 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.137 -2.953 -9.088 1.00 0.00 H new ATOM 603 N GLN A 135 74.004 -1.463 -6.993 1.00 0.00 N ATOM 604 CA GLN A 135 75.300 -0.909 -6.614 1.00 0.00 C ATOM 605 C GLN A 135 75.131 0.366 -5.791 1.00 0.00 C ATOM 606 O GLN A 135 75.853 0.587 -4.819 1.00 0.00 O ATOM 607 CB GLN A 135 76.123 -0.604 -7.867 1.00 0.00 C ATOM 608 CG GLN A 135 76.435 -1.908 -8.605 1.00 0.00 C ATOM 609 CD GLN A 135 77.185 -1.617 -9.903 1.00 0.00 C ATOM 610 OE1 GLN A 135 77.108 -0.510 -10.436 1.00 0.00 O ATOM 611 NE2 GLN A 135 77.912 -2.555 -10.446 1.00 0.00 N ATOM 0 H GLN A 135 73.871 -1.590 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 135 75.820 -1.648 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.572 0.073 -8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 135 77.049 -0.099 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 135 77.035 -2.559 -7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 135 75.509 -2.440 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 135 77.975 -3.472 -10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 135 78.417 -2.371 -11.313 1.00 0.00 H new ATOM 620 N TYR A 136 74.150 1.186 -6.156 1.00 0.00 N ATOM 621 CA TYR A 136 73.917 2.442 -5.452 1.00 0.00 C ATOM 622 C TYR A 136 73.416 2.166 -4.038 1.00 0.00 C ATOM 623 O TYR A 136 73.858 2.792 -3.077 1.00 0.00 O ATOM 624 CB TYR A 136 72.885 3.283 -6.205 1.00 0.00 C ATOM 625 CG TYR A 136 73.463 4.039 -7.379 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.224 3.364 -8.339 1.00 0.00 C ATOM 627 CD2 TYR A 136 73.236 5.415 -7.505 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.760 4.063 -9.428 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.770 6.114 -8.594 1.00 0.00 C ATOM 630 CZ TYR A 136 74.532 5.439 -9.554 1.00 0.00 C ATOM 631 OH TYR A 136 75.060 6.129 -10.627 1.00 0.00 O ATOM 0 H TYR A 136 73.509 1.006 -6.928 1.00 0.00 H new ATOM 0 HA TYR A 136 74.857 2.991 -5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 136 72.087 2.631 -6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.432 3.993 -5.513 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.398 2.303 -8.240 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.650 5.936 -6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.348 3.542 -10.169 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.594 7.175 -8.693 1.00 0.00 H new ATOM 0 HH TYR A 136 74.807 7.074 -10.565 1.00 0.00 H new ATOM 641 N VAL A 137 72.514 1.195 -3.916 1.00 0.00 N ATOM 642 CA VAL A 137 71.960 0.828 -2.616 1.00 0.00 C ATOM 643 C VAL A 137 73.083 0.467 -1.648 1.00 0.00 C ATOM 644 O VAL A 137 73.081 0.889 -0.494 1.00 0.00 O ATOM 645 CB VAL A 137 71.002 -0.363 -2.776 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.379 -0.746 -1.429 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.879 0.014 -3.744 1.00 0.00 C ATOM 0 H VAL A 137 72.152 0.650 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 137 71.410 1.678 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 137 71.570 -1.210 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.705 -1.591 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 137 71.167 -1.022 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.821 0.102 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.199 -0.830 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.332 0.871 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.305 0.270 -4.714 1.00 0.00 H new ATOM 657 N VAL A 138 74.051 -0.298 -2.135 1.00 0.00 N ATOM 658 CA VAL A 138 75.146 -0.755 -1.285 1.00 0.00 C ATOM 659 C VAL A 138 75.988 0.428 -0.814 1.00 0.00 C ATOM 660 O VAL A 138 76.209 0.605 0.383 1.00 0.00 O ATOM 661 CB VAL A 138 76.025 -1.759 -2.046 1.00 0.00 C ATOM 662 CG1 VAL A 138 77.122 -2.303 -1.126 1.00 0.00 C ATOM 663 CG2 VAL A 138 75.167 -2.927 -2.538 1.00 0.00 C ATOM 0 H VAL A 138 74.102 -0.613 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 138 74.721 -1.249 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 138 76.481 -1.250 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.739 -3.014 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.743 -1.479 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.666 -2.804 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.794 -3.637 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.706 -3.425 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.389 -2.552 -3.203 1.00 0.00 H new ATOM 673 N SER A 139 76.428 1.255 -1.755 1.00 0.00 N ATOM 674 CA SER A 139 77.303 2.375 -1.424 1.00 0.00 C ATOM 675 C SER A 139 76.676 3.266 -0.355 1.00 0.00 C ATOM 676 O SER A 139 77.361 3.753 0.545 1.00 0.00 O ATOM 677 CB SER A 139 77.584 3.204 -2.678 1.00 0.00 C ATOM 678 OG SER A 139 78.570 4.183 -2.381 1.00 0.00 O ATOM 0 H SER A 139 76.196 1.173 -2.745 1.00 0.00 H new ATOM 0 HA SER A 139 78.236 1.970 -1.033 1.00 0.00 H new ATOM 0 HB2 SER A 139 77.928 2.558 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 139 76.669 3.685 -3.023 1.00 0.00 H new ATOM 0 HG SER A 139 78.754 4.716 -3.183 1.00 0.00 H new ATOM 684 N ARG A 140 75.368 3.473 -0.461 1.00 0.00 N ATOM 685 CA ARG A 140 74.655 4.329 0.480 1.00 0.00 C ATOM 686 C ARG A 140 74.530 3.673 1.851 1.00 0.00 C ATOM 687 O ARG A 140 74.908 4.266 2.859 1.00 0.00 O ATOM 688 CB ARG A 140 73.260 4.644 -0.064 1.00 0.00 C ATOM 689 CG ARG A 140 72.606 5.730 0.791 1.00 0.00 C ATOM 690 CD ARG A 140 71.189 5.995 0.281 1.00 0.00 C ATOM 691 NE ARG A 140 70.590 7.119 1.007 1.00 0.00 N ATOM 692 CZ ARG A 140 70.738 8.400 0.639 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.441 8.751 -0.411 1.00 0.00 N ATOM 694 NH2 ARG A 140 70.161 9.330 1.349 1.00 0.00 N ATOM 0 H ARG A 140 74.781 3.061 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 140 75.228 5.249 0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.330 4.976 -1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.645 3.744 -0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.576 5.417 1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.196 6.645 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.214 6.214 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.576 5.103 0.409 1.00 0.00 H new ATOM 0 HE ARG A 140 70.031 6.916 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.898 8.039 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.530 9.736 -0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.609 9.077 2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.262 10.310 1.085 1.00 0.00 H new ATOM 708 N PHE A 141 74.038 2.439 1.888 1.00 0.00 N ATOM 709 CA PHE A 141 73.801 1.762 3.159 1.00 0.00 C ATOM 710 C PHE A 141 75.076 1.678 4.000 1.00 0.00 C ATOM 711 O PHE A 141 75.018 1.726 5.229 1.00 0.00 O ATOM 712 CB PHE A 141 73.252 0.357 2.901 1.00 0.00 C ATOM 713 CG PHE A 141 72.880 -0.384 4.164 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.648 -0.136 4.781 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.765 -1.316 4.717 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.300 -0.821 5.952 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.417 -2.002 5.888 1.00 0.00 C ATOM 718 CZ PHE A 141 72.186 -1.754 6.505 1.00 0.00 C ATOM 0 H PHE A 141 73.797 1.891 1.062 1.00 0.00 H new ATOM 0 HA PHE A 141 73.071 2.345 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.374 0.430 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.997 -0.222 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.966 0.584 4.354 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.716 -1.506 4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.350 -0.630 6.428 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.099 -2.722 6.315 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.919 -2.282 7.408 1.00 0.00 H new ATOM 728 N GLU A 142 76.223 1.552 3.340 1.00 0.00 N ATOM 729 CA GLU A 142 77.497 1.413 4.044 1.00 0.00 C ATOM 730 C GLU A 142 78.026 2.734 4.615 1.00 0.00 C ATOM 731 O GLU A 142 78.989 2.715 5.382 1.00 0.00 O ATOM 732 CB GLU A 142 78.544 0.823 3.096 1.00 0.00 C ATOM 733 CG GLU A 142 78.223 -0.650 2.826 1.00 0.00 C ATOM 734 CD GLU A 142 78.349 -1.478 4.104 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.111 -1.094 4.978 1.00 0.00 O ATOM 736 OE2 GLU A 142 77.685 -2.498 4.187 1.00 0.00 O ATOM 0 H GLU A 142 76.299 1.543 2.323 1.00 0.00 H new ATOM 0 HA GLU A 142 77.314 0.750 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.556 1.380 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.538 0.914 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.212 -0.739 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 142 78.900 -1.041 2.066 1.00 0.00 H new ATOM 743 N THR A 143 77.425 3.869 4.256 1.00 0.00 N ATOM 744 CA THR A 143 77.876 5.158 4.772 1.00 0.00 C ATOM 745 C THR A 143 77.242 5.432 6.143 1.00 0.00 C ATOM 746 O THR A 143 76.054 5.751 6.192 1.00 0.00 O ATOM 747 CB THR A 143 77.456 6.266 3.803 1.00 0.00 C ATOM 748 OG1 THR A 143 77.694 5.841 2.469 1.00 0.00 O ATOM 749 CG2 THR A 143 78.265 7.532 4.089 1.00 0.00 C ATOM 0 H THR A 143 76.632 3.921 3.616 1.00 0.00 H new ATOM 0 HA THR A 143 78.961 5.137 4.874 1.00 0.00 H new ATOM 0 HB THR A 143 76.395 6.479 3.933 1.00 0.00 H new ATOM 0 HG1 THR A 143 76.972 5.244 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.965 8.320 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 143 78.081 7.858 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.327 7.322 3.960 1.00 0.00 H new ATOM 757 N PRO A 144 77.969 5.364 7.243 1.00 0.00 N ATOM 758 CA PRO A 144 77.343 5.507 8.600 1.00 0.00 C ATOM 759 C PRO A 144 76.591 6.828 8.789 1.00 0.00 C ATOM 760 O PRO A 144 75.775 6.954 9.702 1.00 0.00 O ATOM 761 CB PRO A 144 78.516 5.409 9.584 1.00 0.00 C ATOM 762 CG PRO A 144 79.627 4.776 8.821 1.00 0.00 C ATOM 763 CD PRO A 144 79.431 5.198 7.368 1.00 0.00 C ATOM 0 HA PRO A 144 76.587 4.737 8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.804 6.394 9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.248 4.811 10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.596 5.106 9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.600 3.691 8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.959 6.125 7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.808 4.443 6.678 1.00 0.00 H new ATOM 771 N GLY A 145 76.862 7.808 7.932 1.00 0.00 N ATOM 772 CA GLY A 145 76.242 9.125 8.064 1.00 0.00 C ATOM 773 C GLY A 145 74.745 9.117 7.741 1.00 0.00 C ATOM 774 O GLY A 145 74.016 10.010 8.173 1.00 0.00 O ATOM 0 H GLY A 145 77.502 7.718 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.387 9.488 9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.747 9.827 7.400 1.00 0.00 H new ATOM 778 N ILE A 146 74.282 8.121 6.987 1.00 0.00 N ATOM 779 CA ILE A 146 72.884 8.078 6.565 1.00 0.00 C ATOM 780 C ILE A 146 72.096 7.102 7.436 1.00 0.00 C ATOM 781 O ILE A 146 72.586 6.030 7.794 1.00 0.00 O ATOM 782 CB ILE A 146 72.797 7.669 5.087 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.602 8.658 4.236 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.337 7.689 4.625 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.742 8.122 2.810 1.00 0.00 C ATOM 0 H ILE A 146 74.849 7.340 6.658 1.00 0.00 H new ATOM 0 HA ILE A 146 72.449 9.070 6.682 1.00 0.00 H new ATOM 0 HB ILE A 146 73.201 6.663 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.105 9.628 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.588 8.811 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.283 7.398 3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.756 6.990 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.931 8.694 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.315 8.829 2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.258 7.162 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.753 7.992 2.371 1.00 0.00 H new ATOM 797 N ALA A 147 70.871 7.492 7.771 1.00 0.00 N ATOM 798 CA ALA A 147 70.024 6.696 8.650 1.00 0.00 C ATOM 799 C ALA A 147 69.701 5.333 8.043 1.00 0.00 C ATOM 800 O ALA A 147 69.771 5.134 6.825 1.00 0.00 O ATOM 801 CB ALA A 147 68.722 7.449 8.938 1.00 0.00 C ATOM 0 H ALA A 147 70.442 8.358 7.445 1.00 0.00 H new ATOM 0 HA ALA A 147 70.572 6.530 9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.093 6.849 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.950 8.399 9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.195 7.636 8.002 1.00 0.00 H new ATOM 807 N SER A 148 69.382 4.384 8.918 1.00 0.00 N ATOM 808 CA SER A 148 68.968 3.059 8.480 1.00 0.00 C ATOM 809 C SER A 148 67.870 2.517 9.391 1.00 0.00 C ATOM 810 O SER A 148 67.932 2.655 10.613 1.00 0.00 O ATOM 811 CB SER A 148 70.163 2.105 8.495 1.00 0.00 C ATOM 812 OG SER A 148 70.502 1.803 9.841 1.00 0.00 O ATOM 0 H SER A 148 69.403 4.509 9.930 1.00 0.00 H new ATOM 0 HA SER A 148 68.580 3.136 7.464 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.920 1.190 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 148 71.013 2.560 7.986 1.00 0.00 H new ATOM 0 HG SER A 148 71.267 1.190 9.856 1.00 0.00 H new ATOM 818 N SER A 149 66.867 1.899 8.778 1.00 0.00 N ATOM 819 CA SER A 149 65.769 1.280 9.513 1.00 0.00 C ATOM 820 C SER A 149 65.625 -0.179 9.080 1.00 0.00 C ATOM 821 O SER A 149 66.196 -0.564 8.061 1.00 0.00 O ATOM 822 CB SER A 149 64.460 2.032 9.248 1.00 0.00 C ATOM 823 OG SER A 149 64.455 2.534 7.917 1.00 0.00 O ATOM 0 H SER A 149 66.791 1.813 7.764 1.00 0.00 H new ATOM 0 HA SER A 149 65.987 1.324 10.580 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.610 1.366 9.399 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.351 2.853 9.957 1.00 0.00 H new ATOM 0 HG SER A 149 63.616 3.013 7.751 1.00 0.00 H new ATOM 829 N PRO A 150 64.903 -1.004 9.813 1.00 0.00 N ATOM 830 CA PRO A 150 64.722 -2.440 9.424 1.00 0.00 C ATOM 831 C PRO A 150 64.382 -2.606 7.943 1.00 0.00 C ATOM 832 O PRO A 150 64.958 -3.448 7.253 1.00 0.00 O ATOM 833 CB PRO A 150 63.568 -2.914 10.306 1.00 0.00 C ATOM 834 CG PRO A 150 63.642 -2.064 11.528 1.00 0.00 C ATOM 835 CD PRO A 150 64.211 -0.714 11.086 1.00 0.00 C ATOM 0 HA PRO A 150 65.637 -3.016 9.565 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.610 -2.795 9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.669 -3.971 10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.656 -1.941 11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.279 -2.525 12.283 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.421 0.024 10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.899 -0.311 11.829 1.00 0.00 H new ATOM 843 N GLU A 151 63.469 -1.775 7.450 1.00 0.00 N ATOM 844 CA GLU A 151 63.101 -1.816 6.039 1.00 0.00 C ATOM 845 C GLU A 151 64.329 -1.576 5.165 1.00 0.00 C ATOM 846 O GLU A 151 64.555 -2.285 4.184 1.00 0.00 O ATOM 847 CB GLU A 151 62.043 -0.753 5.741 1.00 0.00 C ATOM 848 CG GLU A 151 60.765 -1.068 6.526 1.00 0.00 C ATOM 849 CD GLU A 151 59.646 -0.080 6.189 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.937 0.996 5.686 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.501 -0.418 6.442 1.00 0.00 O ATOM 0 H GLU A 151 62.975 -1.072 8.000 1.00 0.00 H new ATOM 0 HA GLU A 151 62.693 -2.802 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.417 0.234 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.829 -0.727 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.437 -2.083 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.975 -1.032 7.595 1.00 0.00 H new ATOM 858 N CYS A 152 65.138 -0.588 5.540 1.00 0.00 N ATOM 859 CA CYS A 152 66.333 -0.265 4.771 1.00 0.00 C ATOM 860 C CYS A 152 67.265 -1.470 4.700 1.00 0.00 C ATOM 861 O CYS A 152 67.828 -1.772 3.651 1.00 0.00 O ATOM 862 CB CYS A 152 67.074 0.909 5.410 1.00 0.00 C ATOM 863 SG CYS A 152 65.970 2.342 5.497 1.00 0.00 S ATOM 0 H CYS A 152 64.989 -0.004 6.363 1.00 0.00 H new ATOM 0 HA CYS A 152 66.023 0.008 3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.415 0.638 6.409 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.961 1.154 4.826 1.00 0.00 H new ATOM 0 HG CYS A 152 65.183 2.221 6.524 1.00 0.00 H new ATOM 869 N MET A 153 67.414 -2.165 5.822 1.00 0.00 N ATOM 870 CA MET A 153 68.313 -3.310 5.887 1.00 0.00 C ATOM 871 C MET A 153 67.914 -4.357 4.853 1.00 0.00 C ATOM 872 O MET A 153 68.757 -4.884 4.128 1.00 0.00 O ATOM 873 CB MET A 153 68.272 -3.930 7.287 1.00 0.00 C ATOM 874 CG MET A 153 68.767 -2.918 8.324 1.00 0.00 C ATOM 875 SD MET A 153 69.540 -3.802 9.703 1.00 0.00 S ATOM 876 CE MET A 153 71.019 -4.358 8.820 1.00 0.00 C ATOM 0 H MET A 153 66.927 -1.957 6.694 1.00 0.00 H new ATOM 0 HA MET A 153 69.326 -2.968 5.673 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.255 -4.240 7.526 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.893 -4.825 7.315 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.483 -2.234 7.868 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.935 -2.314 8.685 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.117 -5.439 8.919 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.933 -4.097 7.765 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.899 -3.873 9.243 1.00 0.00 H new ATOM 886 N GLU A 154 66.618 -4.638 4.775 1.00 0.00 N ATOM 887 CA GLU A 154 66.122 -5.625 3.822 1.00 0.00 C ATOM 888 C GLU A 154 66.494 -5.219 2.401 1.00 0.00 C ATOM 889 O GLU A 154 66.989 -6.027 1.616 1.00 0.00 O ATOM 890 CB GLU A 154 64.603 -5.754 3.939 1.00 0.00 C ATOM 891 CG GLU A 154 64.244 -6.351 5.305 1.00 0.00 C ATOM 892 CD GLU A 154 62.736 -6.574 5.436 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.980 -5.946 4.709 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.355 -7.378 6.270 1.00 0.00 O ATOM 0 H GLU A 154 65.899 -4.202 5.353 1.00 0.00 H new ATOM 0 HA GLU A 154 66.581 -6.587 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.134 -4.777 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.219 -6.389 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.767 -7.298 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.585 -5.684 6.097 1.00 0.00 H new ATOM 901 N LEU A 155 66.277 -3.949 2.082 1.00 0.00 N ATOM 902 CA LEU A 155 66.587 -3.443 0.749 1.00 0.00 C ATOM 903 C LEU A 155 68.068 -3.637 0.433 1.00 0.00 C ATOM 904 O LEU A 155 68.433 -4.044 -0.670 1.00 0.00 O ATOM 905 CB LEU A 155 66.212 -1.958 0.659 1.00 0.00 C ATOM 906 CG LEU A 155 64.708 -1.784 0.906 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.405 -0.321 1.232 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.909 -2.181 -0.340 1.00 0.00 C ATOM 0 H LEU A 155 65.891 -3.255 2.722 1.00 0.00 H new ATOM 0 HA LEU A 155 66.006 -4.002 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.779 -1.386 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.476 -1.566 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 155 64.422 -2.425 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.336 -0.201 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.954 -0.026 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.709 0.309 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.844 -2.051 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.205 -1.550 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 155 64.109 -3.225 -0.583 1.00 0.00 H new ATOM 920 N TYR A 156 68.918 -3.379 1.417 1.00 0.00 N ATOM 921 CA TYR A 156 70.356 -3.540 1.241 1.00 0.00 C ATOM 922 C TYR A 156 70.679 -4.977 0.839 1.00 0.00 C ATOM 923 O TYR A 156 71.431 -5.221 -0.104 1.00 0.00 O ATOM 924 CB TYR A 156 71.064 -3.183 2.553 1.00 0.00 C ATOM 925 CG TYR A 156 72.557 -3.425 2.546 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.383 -2.713 1.669 1.00 0.00 C ATOM 927 CD2 TYR A 156 73.111 -4.362 3.426 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.765 -2.940 1.671 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.492 -4.589 3.428 1.00 0.00 C ATOM 930 CZ TYR A 156 75.319 -3.877 2.551 1.00 0.00 C ATOM 931 OH TYR A 156 76.680 -4.102 2.551 1.00 0.00 O ATOM 0 H TYR A 156 68.638 -3.058 2.344 1.00 0.00 H new ATOM 0 HA TYR A 156 70.704 -2.876 0.449 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.880 -2.132 2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.618 -3.763 3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.955 -1.989 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.473 -4.910 4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.403 -2.392 0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.920 -5.313 4.106 1.00 0.00 H new ATOM 0 HH TYR A 156 77.144 -3.299 2.868 1.00 0.00 H new ATOM 941 N MET A 157 70.082 -5.925 1.547 1.00 0.00 N ATOM 942 CA MET A 157 70.321 -7.337 1.274 1.00 0.00 C ATOM 943 C MET A 157 69.966 -7.669 -0.172 1.00 0.00 C ATOM 944 O MET A 157 70.716 -8.351 -0.871 1.00 0.00 O ATOM 945 CB MET A 157 69.481 -8.191 2.228 1.00 0.00 C ATOM 946 CG MET A 157 69.801 -9.675 2.023 1.00 0.00 C ATOM 947 SD MET A 157 68.836 -10.664 3.193 1.00 0.00 S ATOM 948 CE MET A 157 67.198 -10.280 2.526 1.00 0.00 C ATOM 0 H MET A 157 69.431 -5.745 2.312 1.00 0.00 H new ATOM 0 HA MET A 157 71.378 -7.553 1.428 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.685 -7.906 3.260 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.420 -8.012 2.052 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.568 -9.971 1.000 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.866 -9.853 2.171 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.581 -11.178 2.538 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.728 -9.509 3.136 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.297 -9.921 1.501 1.00 0.00 H new ATOM 958 N GLU A 158 68.830 -7.155 -0.627 1.00 0.00 N ATOM 959 CA GLU A 158 68.366 -7.438 -1.980 1.00 0.00 C ATOM 960 C GLU A 158 69.399 -6.987 -3.005 1.00 0.00 C ATOM 961 O GLU A 158 69.749 -7.733 -3.921 1.00 0.00 O ATOM 962 CB GLU A 158 67.039 -6.721 -2.240 1.00 0.00 C ATOM 963 CG GLU A 158 65.958 -7.289 -1.312 1.00 0.00 C ATOM 964 CD GLU A 158 64.593 -6.660 -1.597 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.549 -5.582 -2.170 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.604 -7.266 -1.222 1.00 0.00 O ATOM 0 H GLU A 158 68.218 -6.545 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 158 68.221 -8.514 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.153 -5.650 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.743 -6.849 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.897 -8.370 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.235 -7.107 -0.274 1.00 0.00 H new ATOM 973 N ALA A 159 69.909 -5.774 -2.830 1.00 0.00 N ATOM 974 CA ALA A 159 70.881 -5.228 -3.772 1.00 0.00 C ATOM 975 C ALA A 159 72.109 -6.128 -3.848 1.00 0.00 C ATOM 976 O ALA A 159 72.599 -6.443 -4.934 1.00 0.00 O ATOM 977 CB ALA A 159 71.302 -3.821 -3.348 1.00 0.00 C ATOM 0 H ALA A 159 69.670 -5.155 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 159 70.413 -5.178 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 159 72.027 -3.428 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.427 -3.171 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.752 -3.859 -2.356 1.00 0.00 H new ATOM 983 N LEU A 160 72.587 -6.569 -2.689 1.00 0.00 N ATOM 984 CA LEU A 160 73.775 -7.415 -2.637 1.00 0.00 C ATOM 985 C LEU A 160 73.578 -8.667 -3.483 1.00 0.00 C ATOM 986 O LEU A 160 74.475 -9.081 -4.215 1.00 0.00 O ATOM 987 CB LEU A 160 74.071 -7.827 -1.193 1.00 0.00 C ATOM 988 CG LEU A 160 74.487 -6.605 -0.371 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.568 -6.991 1.108 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.856 -6.112 -0.845 1.00 0.00 C ATOM 0 H LEU A 160 72.175 -6.357 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 160 74.615 -6.843 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.189 -8.289 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.865 -8.574 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 160 73.751 -5.812 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.864 -6.122 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.593 -7.342 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.304 -7.784 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 160 76.152 -5.242 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.593 -6.904 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.799 -5.838 -1.899 1.00 0.00 H new ATOM 1002 N GLN A 161 72.399 -9.265 -3.373 1.00 0.00 N ATOM 1003 CA GLN A 161 72.092 -10.463 -4.144 1.00 0.00 C ATOM 1004 C GLN A 161 72.208 -10.172 -5.637 1.00 0.00 C ATOM 1005 O GLN A 161 72.857 -10.910 -6.377 1.00 0.00 O ATOM 1006 CB GLN A 161 70.675 -10.944 -3.824 1.00 0.00 C ATOM 1007 CG GLN A 161 70.599 -11.372 -2.357 1.00 0.00 C ATOM 1008 CD GLN A 161 69.170 -11.774 -1.997 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.217 -11.356 -2.655 1.00 0.00 O ATOM 1010 NE2 GLN A 161 68.964 -12.566 -0.980 1.00 0.00 N ATOM 0 H GLN A 161 71.646 -8.945 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 161 72.805 -11.242 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.957 -10.148 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.408 -11.779 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.275 -12.208 -2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.927 -10.555 -1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 161 69.754 -12.912 -0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.013 -12.839 -0.730 1.00 0.00 H new ATOM 1019 N ARG A 162 71.632 -9.055 -6.059 1.00 0.00 N ATOM 1020 CA ARG A 162 71.608 -8.701 -7.474 1.00 0.00 C ATOM 1021 C ARG A 162 73.017 -8.655 -8.055 1.00 0.00 C ATOM 1022 O ARG A 162 73.257 -9.132 -9.163 1.00 0.00 O ATOM 1023 CB ARG A 162 70.947 -7.332 -7.655 1.00 0.00 C ATOM 1024 CG ARG A 162 69.490 -7.379 -7.173 1.00 0.00 C ATOM 1025 CD ARG A 162 68.640 -6.384 -7.967 1.00 0.00 C ATOM 1026 NE ARG A 162 68.468 -6.851 -9.346 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.551 -7.761 -9.710 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.730 -8.311 -8.848 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.475 -8.112 -10.965 1.00 0.00 N ATOM 0 H ARG A 162 71.176 -8.380 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 162 71.038 -9.465 -8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.499 -6.577 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.981 -7.039 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 162 69.092 -8.386 -7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.443 -7.142 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.666 -6.266 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 162 69.117 -5.404 -7.964 1.00 0.00 H new ATOM 0 HE ARG A 162 69.077 -6.464 -10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.775 -8.051 -7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 162 66.046 -8.999 -9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 162 68.106 -7.696 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 162 66.785 -8.802 -11.261 1.00 0.00 H new ATOM 1043 N ILE A 163 73.947 -8.079 -7.300 1.00 0.00 N ATOM 1044 CA ILE A 163 75.306 -7.879 -7.809 1.00 0.00 C ATOM 1045 C ILE A 163 76.244 -9.060 -7.532 1.00 0.00 C ATOM 1046 O ILE A 163 77.460 -8.926 -7.669 1.00 0.00 O ATOM 1047 CB ILE A 163 75.902 -6.592 -7.234 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.880 -6.639 -5.704 1.00 0.00 C ATOM 1049 CG2 ILE A 163 75.079 -5.396 -7.717 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.740 -5.501 -5.151 1.00 0.00 C ATOM 0 H ILE A 163 73.792 -7.746 -6.348 1.00 0.00 H new ATOM 0 HA ILE A 163 75.218 -7.800 -8.893 1.00 0.00 H new ATOM 0 HB ILE A 163 76.934 -6.493 -7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.857 -6.547 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.257 -7.599 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.500 -4.477 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 163 75.102 -5.355 -8.806 1.00 0.00 H new ATOM 0 HG23 ILE A 163 74.048 -5.504 -7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.727 -5.531 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.765 -5.614 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.342 -4.545 -5.492 1.00 0.00 H new ATOM 1062 N GLY A 164 75.697 -10.211 -7.146 1.00 0.00 N ATOM 1063 CA GLY A 164 76.500 -11.426 -7.010 1.00 0.00 C ATOM 1064 C GLY A 164 77.348 -11.451 -5.737 1.00 0.00 C ATOM 1065 O GLY A 164 78.355 -12.157 -5.682 1.00 0.00 O ATOM 0 H GLY A 164 74.709 -10.329 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.839 -12.293 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.155 -11.519 -7.876 1.00 0.00 H new ATOM 1069 N ARG A 165 76.951 -10.692 -4.719 1.00 0.00 N ATOM 1070 CA ARG A 165 77.652 -10.723 -3.439 1.00 0.00 C ATOM 1071 C ARG A 165 76.936 -11.657 -2.467 1.00 0.00 C ATOM 1072 O ARG A 165 76.072 -11.228 -1.702 1.00 0.00 O ATOM 1073 CB ARG A 165 77.731 -9.318 -2.839 1.00 0.00 C ATOM 1074 CG ARG A 165 78.616 -8.435 -3.721 1.00 0.00 C ATOM 1075 CD ARG A 165 78.840 -7.089 -3.029 1.00 0.00 C ATOM 1076 NE ARG A 165 79.390 -6.116 -3.978 1.00 0.00 N ATOM 1077 CZ ARG A 165 79.947 -4.952 -3.607 1.00 0.00 C ATOM 1078 NH1 ARG A 165 80.041 -4.592 -2.350 1.00 0.00 N ATOM 1079 NH2 ARG A 165 80.409 -4.152 -4.529 1.00 0.00 N ATOM 0 H ARG A 165 76.156 -10.054 -4.754 1.00 0.00 H new ATOM 0 HA ARG A 165 78.663 -11.092 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.733 -8.888 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.138 -9.365 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.572 -8.926 -3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.145 -8.283 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 165 77.898 -6.720 -2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.522 -7.213 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 165 79.347 -6.335 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 165 79.684 -5.204 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 165 80.471 -3.700 -2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 165 80.343 -4.415 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 165 80.836 -3.263 -4.266 1.00 0.00 H new