USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 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 -53:sc= 1.07 USER MOD Set 1.2: A 152 CYS SG : rot -106:sc= 1.25 USER MOD Single : A 103 MET CE :methyl -158:sc= -0.229 (180deg=-1.35!) USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000744 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= -1.08 K(o=-1.1,f=-3!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.989 K(o=0.99,f=-5.9!) 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=-1.1) USER MOD Single : A 131 SER OG : rot 100:sc= -0.756 USER MOD Single : A 132 ASN : amide:sc= 0.136 K(o=0.14,f=-2.8!) 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 81:sc= 0.268 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -126:sc= -0.521 (180deg=-3.4!) USER MOD Single : A 156 TYR OH : rot 18:sc= 0.214 USER MOD Single : A 157 MET CE :methyl 138:sc= -0.208 (180deg=-1.34!) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.583 11.032 -11.196 1.00 0.00 N ATOM 101 CA MET A 103 60.144 10.612 -9.868 1.00 0.00 C ATOM 102 C MET A 103 61.340 10.248 -8.992 1.00 0.00 C ATOM 103 O MET A 103 61.441 10.687 -7.845 1.00 0.00 O ATOM 104 CB MET A 103 59.209 9.406 -9.985 1.00 0.00 C ATOM 105 CG MET A 103 57.915 9.828 -10.684 1.00 0.00 C ATOM 106 SD MET A 103 56.719 8.471 -10.618 1.00 0.00 S ATOM 107 CE MET A 103 57.693 7.258 -11.545 1.00 0.00 C ATOM 0 HA MET A 103 59.612 11.443 -9.405 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.695 8.609 -10.548 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.987 9.008 -8.995 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.502 10.714 -10.202 1.00 0.00 H new ATOM 0 HG3 MET A 103 58.120 10.095 -11.721 1.00 0.00 H new ATOM 0 HE1 MET A 103 57.029 6.500 -11.962 1.00 0.00 H new ATOM 0 HE2 MET A 103 58.224 7.760 -12.354 1.00 0.00 H new ATOM 0 HE3 MET A 103 58.413 6.783 -10.878 1.00 0.00 H new ATOM 117 N LEU A 104 62.261 9.466 -9.548 1.00 0.00 N ATOM 118 CA LEU A 104 63.442 9.047 -8.803 1.00 0.00 C ATOM 119 C LEU A 104 64.212 10.257 -8.283 1.00 0.00 C ATOM 120 O LEU A 104 64.580 10.315 -7.110 1.00 0.00 O ATOM 121 CB LEU A 104 64.361 8.212 -9.701 1.00 0.00 C ATOM 122 CG LEU A 104 63.618 6.970 -10.197 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.491 6.223 -11.208 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.314 6.048 -9.014 1.00 0.00 C ATOM 0 H LEU A 104 62.213 9.113 -10.504 1.00 0.00 H new ATOM 0 HA LEU A 104 63.112 8.447 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.695 8.809 -10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.253 7.916 -9.148 1.00 0.00 H new ATOM 0 HG LEU A 104 62.685 7.273 -10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.962 5.338 -11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.710 6.876 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.424 5.922 -10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.785 5.164 -9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.247 5.746 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.693 6.577 -8.291 1.00 0.00 H new ATOM 136 N ALA A 105 64.431 11.236 -9.153 1.00 0.00 N ATOM 137 CA ALA A 105 65.219 12.407 -8.784 1.00 0.00 C ATOM 138 C ALA A 105 64.595 13.143 -7.603 1.00 0.00 C ATOM 139 O ALA A 105 65.276 13.446 -6.625 1.00 0.00 O ATOM 140 CB ALA A 105 65.335 13.358 -9.977 1.00 0.00 C ATOM 0 H ALA A 105 64.078 11.244 -10.110 1.00 0.00 H new ATOM 0 HA ALA A 105 66.211 12.065 -8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.925 14.229 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.823 12.845 -10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.340 13.679 -10.285 1.00 0.00 H new ATOM 146 N THR A 106 63.295 13.411 -7.678 1.00 0.00 N ATOM 147 CA THR A 106 62.609 14.140 -6.611 1.00 0.00 C ATOM 148 C THR A 106 62.843 13.487 -5.250 1.00 0.00 C ATOM 149 O THR A 106 63.292 14.138 -4.304 1.00 0.00 O ATOM 150 CB THR A 106 61.108 14.189 -6.900 1.00 0.00 C ATOM 151 OG1 THR A 106 60.897 14.694 -8.211 1.00 0.00 O ATOM 152 CG2 THR A 106 60.419 15.103 -5.883 1.00 0.00 C ATOM 0 H THR A 106 62.698 13.138 -8.458 1.00 0.00 H new ATOM 0 HA THR A 106 63.016 15.151 -6.580 1.00 0.00 H new ATOM 0 HB THR A 106 60.690 13.185 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.936 14.725 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.349 15.137 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.582 14.716 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.835 16.108 -5.957 1.00 0.00 H new ATOM 160 N ARG A 107 62.561 12.192 -5.160 1.00 0.00 N ATOM 161 CA ARG A 107 62.726 11.474 -3.901 1.00 0.00 C ATOM 162 C ARG A 107 64.156 11.600 -3.381 1.00 0.00 C ATOM 163 O ARG A 107 64.370 11.856 -2.196 1.00 0.00 O ATOM 164 CB ARG A 107 62.368 9.999 -4.091 1.00 0.00 C ATOM 165 CG ARG A 107 60.920 9.882 -4.574 1.00 0.00 C ATOM 166 CD ARG A 107 59.963 10.242 -3.436 1.00 0.00 C ATOM 167 NE ARG A 107 58.582 9.938 -3.821 1.00 0.00 N ATOM 168 CZ ARG A 107 57.835 10.739 -4.595 1.00 0.00 C ATOM 169 NH1 ARG A 107 58.290 11.874 -5.072 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.614 10.380 -4.882 1.00 0.00 N ATOM 0 H ARG A 107 62.221 11.623 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 107 62.055 11.917 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 107 63.042 9.541 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.494 9.460 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.756 10.545 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.723 8.867 -4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.229 9.685 -2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.056 11.301 -3.194 1.00 0.00 H new ATOM 0 HE ARG A 107 58.167 9.070 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 107 59.241 12.173 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 107 57.692 12.457 -5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.242 9.502 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 107 56.032 10.977 -5.469 1.00 0.00 H new ATOM 184 N GLU A 108 65.136 11.445 -4.270 1.00 0.00 N ATOM 185 CA GLU A 108 66.534 11.528 -3.862 1.00 0.00 C ATOM 186 C GLU A 108 66.839 12.900 -3.269 1.00 0.00 C ATOM 187 O GLU A 108 67.552 13.001 -2.274 1.00 0.00 O ATOM 188 CB GLU A 108 67.455 11.253 -5.055 1.00 0.00 C ATOM 189 CG GLU A 108 68.918 11.241 -4.590 1.00 0.00 C ATOM 190 CD GLU A 108 69.872 10.845 -5.722 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.450 10.804 -6.869 1.00 0.00 O ATOM 192 OE2 GLU A 108 71.027 10.597 -5.421 1.00 0.00 O ATOM 0 H GLU A 108 64.990 11.264 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 108 66.713 10.772 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.200 10.296 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.313 12.017 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.188 12.228 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 108 69.030 10.544 -3.760 1.00 0.00 H new ATOM 199 N GLN A 109 66.295 13.950 -3.874 1.00 0.00 N ATOM 200 CA GLN A 109 66.549 15.305 -3.400 1.00 0.00 C ATOM 201 C GLN A 109 66.123 15.448 -1.945 1.00 0.00 C ATOM 202 O GLN A 109 66.849 16.008 -1.125 1.00 0.00 O ATOM 203 CB GLN A 109 65.790 16.317 -4.260 1.00 0.00 C ATOM 204 CG GLN A 109 66.408 16.367 -5.660 1.00 0.00 C ATOM 205 CD GLN A 109 65.598 17.289 -6.566 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.419 17.541 -6.310 1.00 0.00 O ATOM 207 NE2 GLN A 109 66.163 17.813 -7.619 1.00 0.00 N ATOM 0 H GLN A 109 65.681 13.890 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 109 67.619 15.501 -3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 109 64.738 16.038 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 109 65.830 17.304 -3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 109 67.437 16.720 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.440 15.364 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 109 67.139 17.605 -7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.629 18.431 -8.230 1.00 0.00 H new ATOM 216 N GLU A 110 64.953 14.909 -1.623 1.00 0.00 N ATOM 217 CA GLU A 110 64.440 14.992 -0.261 1.00 0.00 C ATOM 218 C GLU A 110 65.393 14.304 0.711 1.00 0.00 C ATOM 219 O GLU A 110 65.758 14.864 1.745 1.00 0.00 O ATOM 220 CB GLU A 110 63.060 14.337 -0.177 1.00 0.00 C ATOM 221 CG GLU A 110 62.456 14.586 1.211 1.00 0.00 C ATOM 222 CD GLU A 110 61.107 13.878 1.384 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.692 13.152 0.492 1.00 0.00 O ATOM 224 OE2 GLU A 110 60.501 14.078 2.423 1.00 0.00 O ATOM 0 H GLU A 110 64.347 14.415 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 110 64.356 16.044 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 110 62.406 14.744 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 110 63.143 13.266 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 110 63.149 14.237 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.326 15.657 1.363 1.00 0.00 H new ATOM 231 N ALA A 111 65.813 13.094 0.361 1.00 0.00 N ATOM 232 CA ALA A 111 66.711 12.331 1.221 1.00 0.00 C ATOM 233 C ALA A 111 68.010 13.098 1.458 1.00 0.00 C ATOM 234 O ALA A 111 68.487 13.197 2.588 1.00 0.00 O ATOM 235 CB ALA A 111 67.027 10.979 0.577 1.00 0.00 C ATOM 0 H ALA A 111 65.549 12.623 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 111 66.216 12.172 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.698 10.415 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.103 10.418 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.505 11.139 -0.389 1.00 0.00 H new ATOM 241 N ASN A 112 68.570 13.644 0.386 1.00 0.00 N ATOM 242 CA ASN A 112 69.830 14.373 0.477 1.00 0.00 C ATOM 243 C ASN A 112 69.707 15.550 1.439 1.00 0.00 C ATOM 244 O ASN A 112 70.603 15.799 2.246 1.00 0.00 O ATOM 245 CB ASN A 112 70.237 14.883 -0.907 1.00 0.00 C ATOM 246 CG ASN A 112 71.664 15.424 -0.869 1.00 0.00 C ATOM 247 OD1 ASN A 112 72.150 15.831 0.187 1.00 0.00 O ATOM 248 ND2 ASN A 112 72.368 15.451 -1.967 1.00 0.00 N ATOM 0 H ASN A 112 68.174 13.597 -0.553 1.00 0.00 H new ATOM 0 HA ASN A 112 70.593 13.692 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.165 14.076 -1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.551 15.666 -1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 112 73.323 15.810 -1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 112 71.964 15.113 -2.840 1.00 0.00 H new ATOM 255 N LYS A 113 68.595 16.271 1.349 1.00 0.00 N ATOM 256 CA LYS A 113 68.375 17.424 2.213 1.00 0.00 C ATOM 257 C LYS A 113 68.405 16.993 3.675 1.00 0.00 C ATOM 258 O LYS A 113 69.050 17.626 4.511 1.00 0.00 O ATOM 259 CB LYS A 113 67.023 18.067 1.893 1.00 0.00 C ATOM 260 CG LYS A 113 66.867 19.369 2.683 1.00 0.00 C ATOM 261 CD LYS A 113 67.714 20.468 2.035 1.00 0.00 C ATOM 262 CE LYS A 113 67.465 21.795 2.755 1.00 0.00 C ATOM 263 NZ LYS A 113 68.312 22.857 2.142 1.00 0.00 N ATOM 0 H LYS A 113 67.838 16.080 0.693 1.00 0.00 H new ATOM 0 HA LYS A 113 69.168 18.151 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.950 18.269 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.215 17.380 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 113 65.819 19.669 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.178 19.218 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 113 68.771 20.206 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 113 67.461 20.562 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 113 66.412 22.068 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 113 67.698 21.696 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 68.144 23.760 2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 69.315 22.596 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 68.069 22.957 1.136 1.00 0.00 H new ATOM 277 N ASP A 114 67.698 15.907 3.969 1.00 0.00 N ATOM 278 CA ASP A 114 67.674 15.350 5.319 1.00 0.00 C ATOM 279 C ASP A 114 68.068 13.877 5.293 1.00 0.00 C ATOM 280 O ASP A 114 67.319 13.030 4.807 1.00 0.00 O ATOM 281 CB ASP A 114 66.274 15.494 5.917 1.00 0.00 C ATOM 282 CG ASP A 114 66.305 15.173 7.408 1.00 0.00 C ATOM 283 OD1 ASP A 114 67.294 15.500 8.044 1.00 0.00 O ATOM 284 OD2 ASP A 114 65.339 14.606 7.892 1.00 0.00 O ATOM 0 H ASP A 114 67.134 15.394 3.292 1.00 0.00 H new ATOM 0 HA ASP A 114 68.389 15.897 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 114 65.907 16.509 5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.582 14.824 5.407 1.00 0.00 H new ATOM 289 N LEU A 115 69.255 13.574 5.806 1.00 0.00 N ATOM 290 CA LEU A 115 69.719 12.187 5.866 1.00 0.00 C ATOM 291 C LEU A 115 69.433 11.520 7.218 1.00 0.00 C ATOM 292 O LEU A 115 69.580 10.305 7.341 1.00 0.00 O ATOM 293 CB LEU A 115 71.223 12.120 5.584 1.00 0.00 C ATOM 294 CG LEU A 115 71.506 12.493 4.125 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.016 12.640 3.923 1.00 0.00 C ATOM 296 CD2 LEU A 115 70.981 11.394 3.197 1.00 0.00 C ATOM 0 H LEU A 115 69.910 14.259 6.183 1.00 0.00 H new ATOM 0 HA LEU A 115 69.163 11.642 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.756 12.799 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.594 11.116 5.789 1.00 0.00 H new ATOM 0 HG LEU A 115 71.007 13.434 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.220 12.905 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.396 13.423 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.508 11.697 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.185 11.664 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.478 10.452 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 115 69.906 11.282 3.338 1.00 0.00 H new ATOM 308 N THR A 116 69.044 12.295 8.233 1.00 0.00 N ATOM 309 CA THR A 116 68.786 11.734 9.559 1.00 0.00 C ATOM 310 C THR A 116 67.321 11.320 9.757 1.00 0.00 C ATOM 311 O THR A 116 66.897 11.092 10.890 1.00 0.00 O ATOM 312 CB THR A 116 69.165 12.760 10.629 1.00 0.00 C ATOM 313 OG1 THR A 116 68.371 13.926 10.465 1.00 0.00 O ATOM 314 CG2 THR A 116 70.645 13.122 10.493 1.00 0.00 C ATOM 0 H THR A 116 68.902 13.303 8.163 1.00 0.00 H new ATOM 0 HA THR A 116 69.394 10.834 9.649 1.00 0.00 H new ATOM 0 HB THR A 116 68.989 12.336 11.618 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.611 14.584 11.150 1.00 0.00 H new ATOM 0 HG21 THR A 116 70.912 13.853 11.256 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.252 12.226 10.620 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.827 13.546 9.505 1.00 0.00 H new ATOM 322 N SER A 117 66.546 11.219 8.676 1.00 0.00 N ATOM 323 CA SER A 117 65.153 10.793 8.778 1.00 0.00 C ATOM 324 C SER A 117 64.986 9.382 8.201 1.00 0.00 C ATOM 325 O SER A 117 64.786 9.245 6.994 1.00 0.00 O ATOM 326 CB SER A 117 64.268 11.761 7.990 1.00 0.00 C ATOM 327 OG SER A 117 62.966 11.204 7.862 1.00 0.00 O ATOM 0 H SER A 117 66.858 11.425 7.727 1.00 0.00 H new ATOM 0 HA SER A 117 64.862 10.788 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.217 12.723 8.500 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.697 11.945 7.005 1.00 0.00 H new ATOM 0 HG SER A 117 62.394 11.821 7.359 1.00 0.00 H new ATOM 333 N PRO A 118 65.034 8.340 9.009 1.00 0.00 N ATOM 334 CA PRO A 118 64.976 6.942 8.479 1.00 0.00 C ATOM 335 C PRO A 118 63.839 6.727 7.486 1.00 0.00 C ATOM 336 O PRO A 118 63.989 5.976 6.526 1.00 0.00 O ATOM 337 CB PRO A 118 64.779 6.072 9.721 1.00 0.00 C ATOM 338 CG PRO A 118 65.360 6.860 10.844 1.00 0.00 C ATOM 339 CD PRO A 118 65.172 8.333 10.481 1.00 0.00 C ATOM 0 HA PRO A 118 65.881 6.699 7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.723 5.862 9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.282 5.111 9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.859 6.625 11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.416 6.625 10.978 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.289 8.751 10.964 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.024 8.932 10.802 1.00 0.00 H new ATOM 347 N ASP A 119 62.710 7.397 7.705 1.00 0.00 N ATOM 348 CA ASP A 119 61.567 7.248 6.809 1.00 0.00 C ATOM 349 C ASP A 119 61.953 7.612 5.379 1.00 0.00 C ATOM 350 O ASP A 119 61.795 6.808 4.457 1.00 0.00 O ATOM 351 CB ASP A 119 60.415 8.141 7.275 1.00 0.00 C ATOM 352 CG ASP A 119 59.919 7.686 8.643 1.00 0.00 C ATOM 353 OD1 ASP A 119 59.926 6.491 8.890 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.538 8.541 9.426 1.00 0.00 O ATOM 0 H ASP A 119 62.563 8.039 8.484 1.00 0.00 H new ATOM 0 HA ASP A 119 61.248 6.206 6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.746 9.178 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.600 8.102 6.553 1.00 0.00 H new ATOM 359 N ALA A 120 62.484 8.817 5.198 1.00 0.00 N ATOM 360 CA ALA A 120 62.868 9.273 3.867 1.00 0.00 C ATOM 361 C ALA A 120 63.885 8.320 3.249 1.00 0.00 C ATOM 362 O ALA A 120 63.787 7.983 2.068 1.00 0.00 O ATOM 363 CB ALA A 120 63.459 10.683 3.935 1.00 0.00 C ATOM 0 H ALA A 120 62.657 9.488 5.946 1.00 0.00 H new ATOM 0 HA ALA A 120 61.975 9.292 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.740 11.008 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.717 11.369 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.341 10.677 4.576 1.00 0.00 H new ATOM 369 N GLN A 121 64.841 7.860 4.054 1.00 0.00 N ATOM 370 CA GLN A 121 65.870 6.956 3.539 1.00 0.00 C ATOM 371 C GLN A 121 65.216 5.695 2.989 1.00 0.00 C ATOM 372 O GLN A 121 65.501 5.280 1.870 1.00 0.00 O ATOM 373 CB GLN A 121 66.900 6.555 4.612 1.00 0.00 C ATOM 374 CG GLN A 121 67.306 7.723 5.528 1.00 0.00 C ATOM 375 CD GLN A 121 67.647 8.990 4.743 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.571 8.995 3.930 1.00 0.00 O ATOM 377 NE2 GLN A 121 66.936 10.068 4.941 1.00 0.00 N ATOM 0 H GLN A 121 64.926 8.091 5.044 1.00 0.00 H new ATOM 0 HA GLN A 121 66.400 7.494 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.487 5.751 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.790 6.159 4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.493 7.937 6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.167 7.428 6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.171 10.058 5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.145 10.920 4.420 1.00 0.00 H new ATOM 386 N ALA A 122 64.279 5.131 3.749 1.00 0.00 N ATOM 387 CA ALA A 122 63.641 3.873 3.370 1.00 0.00 C ATOM 388 C ALA A 122 63.045 3.979 1.973 1.00 0.00 C ATOM 389 O ALA A 122 63.270 3.119 1.122 1.00 0.00 O ATOM 390 CB ALA A 122 62.541 3.518 4.372 1.00 0.00 C ATOM 0 H ALA A 122 63.946 5.525 4.629 1.00 0.00 H new ATOM 0 HA ALA A 122 64.398 3.088 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.072 2.578 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 122 62.975 3.413 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.791 4.309 4.385 1.00 0.00 H new ATOM 396 N ALA A 123 62.329 5.070 1.731 1.00 0.00 N ATOM 397 CA ALA A 123 61.710 5.275 0.426 1.00 0.00 C ATOM 398 C ALA A 123 62.775 5.297 -0.667 1.00 0.00 C ATOM 399 O ALA A 123 62.624 4.663 -1.710 1.00 0.00 O ATOM 400 CB ALA A 123 60.931 6.593 0.414 1.00 0.00 C ATOM 0 H ALA A 123 62.164 5.815 2.408 1.00 0.00 H new ATOM 0 HA ALA A 123 61.022 4.451 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.473 6.736 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.154 6.563 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.611 7.419 0.621 1.00 0.00 H new ATOM 406 N PHE A 124 63.867 6.008 -0.410 1.00 0.00 N ATOM 407 CA PHE A 124 64.945 6.117 -1.389 1.00 0.00 C ATOM 408 C PHE A 124 65.499 4.739 -1.743 1.00 0.00 C ATOM 409 O PHE A 124 65.697 4.417 -2.914 1.00 0.00 O ATOM 410 CB PHE A 124 66.067 6.994 -0.836 1.00 0.00 C ATOM 411 CG PHE A 124 67.149 7.295 -1.846 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.804 7.683 -3.147 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.496 7.186 -1.483 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.806 7.960 -4.084 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.498 7.465 -2.420 1.00 0.00 C ATOM 416 CZ PHE A 124 69.154 7.851 -3.721 1.00 0.00 C ATOM 0 H PHE A 124 64.030 6.514 0.460 1.00 0.00 H new ATOM 0 HA PHE A 124 64.540 6.572 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.642 7.932 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.513 6.499 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.764 7.768 -3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.763 6.887 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.539 8.258 -5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.538 7.382 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.927 8.064 -4.444 1.00 0.00 H new ATOM 426 N TYR A 125 65.724 3.915 -0.726 1.00 0.00 N ATOM 427 CA TYR A 125 66.284 2.584 -0.939 1.00 0.00 C ATOM 428 C TYR A 125 65.391 1.786 -1.885 1.00 0.00 C ATOM 429 O TYR A 125 65.862 1.174 -2.845 1.00 0.00 O ATOM 430 CB TYR A 125 66.396 1.833 0.394 1.00 0.00 C ATOM 431 CG TYR A 125 67.495 2.321 1.314 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.832 2.001 1.057 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.171 3.084 2.441 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.841 2.445 1.926 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.173 3.532 3.308 1.00 0.00 C ATOM 436 CZ TYR A 125 69.510 3.214 3.054 1.00 0.00 C ATOM 437 OH TYR A 125 70.499 3.655 3.914 1.00 0.00 O ATOM 0 H TYR A 125 65.529 4.142 0.249 1.00 0.00 H new ATOM 0 HA TYR A 125 67.276 2.695 -1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.443 1.910 0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.560 0.776 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.088 1.412 0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.139 3.329 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.873 2.195 1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 125 67.914 4.124 4.174 1.00 0.00 H new ATOM 0 HH TYR A 125 70.094 4.174 4.640 1.00 0.00 H new ATOM 447 N LYS A 126 64.090 1.824 -1.624 1.00 0.00 N ATOM 448 CA LYS A 126 63.134 1.078 -2.432 1.00 0.00 C ATOM 449 C LYS A 126 63.215 1.504 -3.892 1.00 0.00 C ATOM 450 O LYS A 126 63.252 0.669 -4.794 1.00 0.00 O ATOM 451 CB LYS A 126 61.718 1.323 -1.902 1.00 0.00 C ATOM 452 CG LYS A 126 61.588 0.770 -0.477 1.00 0.00 C ATOM 453 CD LYS A 126 60.148 0.326 -0.212 1.00 0.00 C ATOM 454 CE LYS A 126 60.037 -0.234 1.207 1.00 0.00 C ATOM 455 NZ LYS A 126 58.671 -0.791 1.417 1.00 0.00 N ATOM 0 H LYS A 126 63.674 2.361 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 126 63.374 0.017 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.498 2.391 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 126 60.988 0.844 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.267 -0.072 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.880 1.533 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.468 1.169 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.851 -0.432 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 126 60.786 -1.011 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.237 0.551 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 58.596 -1.172 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 57.965 -0.038 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 58.497 -1.552 0.730 1.00 0.00 H new ATOM 469 N LEU A 127 63.263 2.811 -4.116 1.00 0.00 N ATOM 470 CA LEU A 127 63.304 3.338 -5.473 1.00 0.00 C ATOM 471 C LEU A 127 64.514 2.795 -6.221 1.00 0.00 C ATOM 472 O LEU A 127 64.403 2.357 -7.366 1.00 0.00 O ATOM 473 CB LEU A 127 63.367 4.865 -5.440 1.00 0.00 C ATOM 474 CG LEU A 127 62.106 5.411 -4.770 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.334 6.870 -4.375 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.933 5.328 -5.750 1.00 0.00 C ATOM 0 H LEU A 127 63.274 3.520 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 127 62.398 3.024 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.252 5.192 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.453 5.258 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 127 61.881 4.822 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.436 7.262 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.172 6.932 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.557 7.458 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 127 60.033 5.717 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.158 5.919 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.772 4.289 -6.037 1.00 0.00 H new ATOM 488 N LEU A 128 65.666 2.800 -5.559 1.00 0.00 N ATOM 489 CA LEU A 128 66.900 2.371 -6.207 1.00 0.00 C ATOM 490 C LEU A 128 66.802 0.916 -6.654 1.00 0.00 C ATOM 491 O LEU A 128 67.273 0.568 -7.737 1.00 0.00 O ATOM 492 CB LEU A 128 68.090 2.545 -5.262 1.00 0.00 C ATOM 493 CG LEU A 128 68.581 3.995 -5.310 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.533 4.252 -4.140 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.321 4.239 -6.627 1.00 0.00 C ATOM 0 H LEU A 128 65.771 3.092 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 128 67.052 2.996 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.800 2.283 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.896 1.869 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 128 67.727 4.669 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.882 5.284 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 128 69.010 4.077 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.387 3.578 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.671 5.271 -6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.174 3.564 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.646 4.056 -7.463 1.00 0.00 H new ATOM 507 N LEU A 129 66.205 0.067 -5.821 1.00 0.00 N ATOM 508 CA LEU A 129 66.064 -1.343 -6.176 1.00 0.00 C ATOM 509 C LEU A 129 65.165 -1.502 -7.399 1.00 0.00 C ATOM 510 O LEU A 129 65.518 -2.195 -8.352 1.00 0.00 O ATOM 511 CB LEU A 129 65.479 -2.134 -5.002 1.00 0.00 C ATOM 512 CG LEU A 129 66.601 -2.568 -4.056 1.00 0.00 C ATOM 513 CD1 LEU A 129 65.996 -3.073 -2.745 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.409 -3.692 -4.708 1.00 0.00 C ATOM 0 H LEU A 129 65.818 0.323 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 129 67.054 -1.733 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.755 -1.522 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 129 64.945 -3.009 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 129 67.254 -1.719 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.795 -3.382 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.417 -2.275 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.344 -3.922 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.209 -4.002 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.755 -4.540 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.840 -3.335 -5.644 1.00 0.00 H new ATOM 526 N GLN A 130 64.033 -0.806 -7.398 1.00 0.00 N ATOM 527 CA GLN A 130 63.078 -0.924 -8.494 1.00 0.00 C ATOM 528 C GLN A 130 63.723 -0.547 -9.825 1.00 0.00 C ATOM 529 O GLN A 130 63.489 -1.197 -10.844 1.00 0.00 O ATOM 530 CB GLN A 130 61.874 -0.017 -8.236 1.00 0.00 C ATOM 531 CG GLN A 130 60.800 -0.278 -9.296 1.00 0.00 C ATOM 532 CD GLN A 130 59.560 0.577 -9.038 1.00 0.00 C ATOM 533 OE1 GLN A 130 59.423 1.194 -7.979 1.00 0.00 O ATOM 534 NE2 GLN A 130 58.635 0.653 -9.957 1.00 0.00 N ATOM 0 H GLN A 130 63.756 -0.160 -6.658 1.00 0.00 H new ATOM 0 HA GLN A 130 62.751 -1.962 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 130 61.471 -0.205 -7.241 1.00 0.00 H new ATOM 0 HB3 GLN A 130 62.181 1.029 -8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 130 61.199 -0.057 -10.286 1.00 0.00 H new ATOM 0 HG3 GLN A 130 60.527 -1.333 -9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 130 58.745 0.144 -10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 130 57.803 1.221 -9.797 1.00 0.00 H new ATOM 543 N SER A 131 64.535 0.505 -9.808 1.00 0.00 N ATOM 544 CA SER A 131 65.150 1.002 -11.037 1.00 0.00 C ATOM 545 C SER A 131 66.442 0.262 -11.410 1.00 0.00 C ATOM 546 O SER A 131 67.214 0.757 -12.230 1.00 0.00 O ATOM 547 CB SER A 131 65.451 2.494 -10.887 1.00 0.00 C ATOM 548 OG SER A 131 64.228 3.210 -10.795 1.00 0.00 O ATOM 0 H SER A 131 64.782 1.026 -8.967 1.00 0.00 H new ATOM 0 HA SER A 131 64.436 0.825 -11.841 1.00 0.00 H new ATOM 0 HB2 SER A 131 66.056 2.668 -9.997 1.00 0.00 H new ATOM 0 HB3 SER A 131 66.030 2.848 -11.740 1.00 0.00 H new ATOM 0 HG SER A 131 64.040 3.417 -9.856 1.00 0.00 H new ATOM 554 N ASN A 132 66.687 -0.908 -10.819 1.00 0.00 N ATOM 555 CA ASN A 132 67.860 -1.702 -11.169 1.00 0.00 C ATOM 556 C ASN A 132 69.146 -0.939 -10.851 1.00 0.00 C ATOM 557 O ASN A 132 70.044 -0.817 -11.686 1.00 0.00 O ATOM 558 CB ASN A 132 67.812 -2.085 -12.653 1.00 0.00 C ATOM 559 CG ASN A 132 66.507 -2.810 -12.965 1.00 0.00 C ATOM 560 OD1 ASN A 132 66.055 -3.643 -12.179 1.00 0.00 O ATOM 561 ND2 ASN A 132 65.870 -2.540 -14.072 1.00 0.00 N ATOM 0 H ASN A 132 66.092 -1.323 -10.101 1.00 0.00 H new ATOM 0 HA ASN A 132 67.853 -2.614 -10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.897 -1.191 -13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.660 -2.724 -12.899 1.00 0.00 H new ATOM 0 HD21 ASN A 132 64.996 -3.019 -14.287 1.00 0.00 H new ATOM 0 HD22 ASN A 132 66.246 -1.850 -14.722 1.00 0.00 H new ATOM 568 N TYR A 133 69.231 -0.427 -9.625 1.00 0.00 N ATOM 569 CA TYR A 133 70.431 0.278 -9.172 1.00 0.00 C ATOM 570 C TYR A 133 70.984 -0.342 -7.877 1.00 0.00 C ATOM 571 O TYR A 133 71.346 0.381 -6.941 1.00 0.00 O ATOM 572 CB TYR A 133 70.083 1.753 -8.936 1.00 0.00 C ATOM 573 CG TYR A 133 69.964 2.577 -10.195 1.00 0.00 C ATOM 574 CD1 TYR A 133 71.088 3.230 -10.711 1.00 0.00 C ATOM 575 CD2 TYR A 133 68.727 2.699 -10.839 1.00 0.00 C ATOM 576 CE1 TYR A 133 70.977 4.003 -11.872 1.00 0.00 C ATOM 577 CE2 TYR A 133 68.614 3.474 -11.999 1.00 0.00 C ATOM 578 CZ TYR A 133 69.740 4.125 -12.517 1.00 0.00 C ATOM 579 OH TYR A 133 69.630 4.888 -13.661 1.00 0.00 O ATOM 0 H TYR A 133 68.488 -0.486 -8.929 1.00 0.00 H new ATOM 0 HA TYR A 133 71.200 0.192 -9.940 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.141 1.808 -8.390 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.848 2.196 -8.298 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.042 3.138 -10.213 1.00 0.00 H new ATOM 0 HD2 TYR A 133 67.859 2.195 -10.440 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.846 4.506 -12.271 1.00 0.00 H new ATOM 0 HE2 TYR A 133 67.659 3.570 -12.494 1.00 0.00 H new ATOM 0 HH TYR A 133 68.704 4.866 -13.981 1.00 0.00 H new ATOM 589 N PRO A 134 71.156 -1.649 -7.817 1.00 0.00 N ATOM 590 CA PRO A 134 71.581 -2.315 -6.546 1.00 0.00 C ATOM 591 C PRO A 134 72.905 -1.754 -6.030 1.00 0.00 C ATOM 592 O PRO A 134 73.084 -1.564 -4.828 1.00 0.00 O ATOM 593 CB PRO A 134 71.704 -3.800 -6.901 1.00 0.00 C ATOM 594 CG PRO A 134 71.811 -3.850 -8.388 1.00 0.00 C ATOM 595 CD PRO A 134 71.055 -2.632 -8.914 1.00 0.00 C ATOM 0 HA PRO A 134 70.864 -2.145 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.581 -4.244 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.836 -4.360 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.854 -3.826 -8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.381 -4.773 -8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.501 -2.252 -9.833 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.016 -2.873 -9.139 1.00 0.00 H new ATOM 603 N GLN A 135 73.823 -1.466 -6.947 1.00 0.00 N ATOM 604 CA GLN A 135 75.125 -0.928 -6.566 1.00 0.00 C ATOM 605 C GLN A 135 74.968 0.350 -5.741 1.00 0.00 C ATOM 606 O GLN A 135 75.696 0.565 -4.772 1.00 0.00 O ATOM 607 CB GLN A 135 75.954 -0.632 -7.817 1.00 0.00 C ATOM 608 CG GLN A 135 76.248 -1.938 -8.557 1.00 0.00 C ATOM 609 CD GLN A 135 76.999 -1.655 -9.856 1.00 0.00 C ATOM 610 OE1 GLN A 135 76.931 -0.547 -10.389 1.00 0.00 O ATOM 611 NE2 GLN A 135 77.718 -2.599 -10.400 1.00 0.00 N ATOM 0 H GLN A 135 73.692 -1.594 -7.950 1.00 0.00 H new ATOM 0 HA GLN A 135 75.636 -1.674 -5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.414 0.054 -8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 135 76.887 -0.141 -7.540 1.00 0.00 H new ATOM 0 HG2 GLN A 135 76.841 -2.597 -7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 135 75.315 -2.458 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 135 77.774 -3.516 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 135 78.224 -2.419 -11.267 1.00 0.00 H new ATOM 620 N TYR A 136 73.993 1.178 -6.104 1.00 0.00 N ATOM 621 CA TYR A 136 73.768 2.433 -5.395 1.00 0.00 C ATOM 622 C TYR A 136 73.264 2.154 -3.985 1.00 0.00 C ATOM 623 O TYR A 136 73.716 2.766 -3.017 1.00 0.00 O ATOM 624 CB TYR A 136 72.739 3.281 -6.146 1.00 0.00 C ATOM 625 CG TYR A 136 73.319 4.050 -7.309 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.205 3.423 -8.194 1.00 0.00 C ATOM 627 CD2 TYR A 136 72.969 5.391 -7.503 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.740 4.137 -9.271 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.504 6.106 -8.581 1.00 0.00 C ATOM 630 CZ TYR A 136 74.390 5.479 -9.466 1.00 0.00 C ATOM 631 OH TYR A 136 74.918 6.182 -10.529 1.00 0.00 O ATOM 0 H TYR A 136 73.351 1.005 -6.878 1.00 0.00 H new ATOM 0 HA TYR A 136 74.711 2.977 -5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 136 71.944 2.632 -6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.282 3.983 -5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.475 2.388 -8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.286 5.875 -6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.424 3.653 -9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.234 7.141 -8.730 1.00 0.00 H new ATOM 0 HH TYR A 136 74.572 7.099 -10.519 1.00 0.00 H new ATOM 641 N VAL A 137 72.347 1.196 -3.870 1.00 0.00 N ATOM 642 CA VAL A 137 71.784 0.828 -2.573 1.00 0.00 C ATOM 643 C VAL A 137 72.900 0.453 -1.601 1.00 0.00 C ATOM 644 O VAL A 137 72.890 0.861 -0.441 1.00 0.00 O ATOM 645 CB VAL A 137 70.816 -0.352 -2.745 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.185 -0.740 -1.402 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.699 0.045 -3.712 1.00 0.00 C ATOM 0 H VAL A 137 71.979 0.662 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 137 71.240 1.681 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 137 71.377 -1.202 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.503 -1.578 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 137 70.969 -1.028 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.634 0.110 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.011 -0.791 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.159 0.903 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.130 0.306 -4.678 1.00 0.00 H new ATOM 657 N VAL A 138 73.871 -0.306 -2.091 1.00 0.00 N ATOM 658 CA VAL A 138 74.962 -0.771 -1.240 1.00 0.00 C ATOM 659 C VAL A 138 75.812 0.405 -0.769 1.00 0.00 C ATOM 660 O VAL A 138 76.028 0.584 0.430 1.00 0.00 O ATOM 661 CB VAL A 138 75.832 -1.782 -1.999 1.00 0.00 C ATOM 662 CG1 VAL A 138 76.930 -2.333 -1.084 1.00 0.00 C ATOM 663 CG2 VAL A 138 74.965 -2.946 -2.486 1.00 0.00 C ATOM 0 H VAL A 138 73.928 -0.611 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 138 74.534 -1.261 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 138 76.289 -1.275 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.539 -3.049 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.559 -1.514 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.474 -2.829 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.586 -3.662 -3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.503 -3.438 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.188 -2.568 -3.150 1.00 0.00 H new ATOM 673 N SER A 139 76.267 1.227 -1.708 1.00 0.00 N ATOM 674 CA SER A 139 77.151 2.342 -1.372 1.00 0.00 C ATOM 675 C SER A 139 76.529 3.235 -0.301 1.00 0.00 C ATOM 676 O SER A 139 77.223 3.727 0.591 1.00 0.00 O ATOM 677 CB SER A 139 77.436 3.172 -2.624 1.00 0.00 C ATOM 678 OG SER A 139 77.953 2.323 -3.640 1.00 0.00 O ATOM 0 H SER A 139 76.042 1.146 -2.700 1.00 0.00 H new ATOM 0 HA SER A 139 78.081 1.931 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 139 76.523 3.657 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 139 78.151 3.963 -2.396 1.00 0.00 H new ATOM 0 HG SER A 139 77.214 1.857 -4.084 1.00 0.00 H new ATOM 684 N ARG A 140 75.221 3.439 -0.397 1.00 0.00 N ATOM 685 CA ARG A 140 74.510 4.294 0.548 1.00 0.00 C ATOM 686 C ARG A 140 74.384 3.633 1.916 1.00 0.00 C ATOM 687 O ARG A 140 74.789 4.210 2.923 1.00 0.00 O ATOM 688 CB ARG A 140 73.118 4.614 0.001 1.00 0.00 C ATOM 689 CG ARG A 140 72.458 5.692 0.861 1.00 0.00 C ATOM 690 CD ARG A 140 71.038 5.948 0.352 1.00 0.00 C ATOM 691 NE ARG A 140 70.427 7.061 1.082 1.00 0.00 N ATOM 692 CZ ARG A 140 70.544 8.344 0.708 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.240 8.708 -0.342 1.00 0.00 N ATOM 694 NH2 ARG A 140 69.947 9.264 1.417 1.00 0.00 N ATOM 0 H ARG A 140 74.631 3.025 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 140 75.083 5.213 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.193 4.955 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.504 3.714 -0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.431 5.375 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.042 6.612 0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.062 6.174 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.434 5.049 0.474 1.00 0.00 H new ATOM 0 HE ARG A 140 69.884 6.849 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.716 8.005 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.305 9.694 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.403 9.002 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.024 10.245 1.149 1.00 0.00 H new ATOM 708 N PHE A 141 73.861 2.413 1.950 1.00 0.00 N ATOM 709 CA PHE A 141 73.625 1.732 3.220 1.00 0.00 C ATOM 710 C PHE A 141 74.907 1.621 4.048 1.00 0.00 C ATOM 711 O PHE A 141 74.862 1.654 5.277 1.00 0.00 O ATOM 712 CB PHE A 141 73.058 0.335 2.959 1.00 0.00 C ATOM 713 CG PHE A 141 72.712 -0.417 4.221 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.479 -0.200 4.848 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.623 -1.329 4.766 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.157 -0.895 6.019 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.301 -2.026 5.938 1.00 0.00 C ATOM 718 CZ PHE A 141 72.067 -1.808 6.565 1.00 0.00 C ATOM 0 H PHE A 141 73.594 1.879 1.123 1.00 0.00 H new ATOM 0 HA PHE A 141 72.908 2.324 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.164 0.423 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.785 -0.243 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.776 0.504 4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.575 -1.496 4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.206 -0.727 6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.003 -2.731 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.818 -2.344 7.469 1.00 0.00 H new ATOM 728 N GLU A 142 76.046 1.491 3.374 1.00 0.00 N ATOM 729 CA GLU A 142 77.323 1.311 4.062 1.00 0.00 C ATOM 730 C GLU A 142 77.878 2.609 4.663 1.00 0.00 C ATOM 731 O GLU A 142 78.835 2.555 5.433 1.00 0.00 O ATOM 732 CB GLU A 142 78.351 0.731 3.090 1.00 0.00 C ATOM 733 CG GLU A 142 77.922 -0.681 2.674 1.00 0.00 C ATOM 734 CD GLU A 142 78.966 -1.330 1.764 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.740 -0.613 1.148 1.00 0.00 O ATOM 736 OE2 GLU A 142 78.966 -2.548 1.684 1.00 0.00 O ATOM 0 H GLU A 142 76.112 1.507 2.356 1.00 0.00 H new ATOM 0 HA GLU A 142 77.137 0.627 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.437 1.370 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.334 0.700 3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.777 -1.296 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 142 76.963 -0.635 2.157 1.00 0.00 H new ATOM 743 N THR A 143 77.304 3.766 4.319 1.00 0.00 N ATOM 744 CA THR A 143 77.775 5.033 4.871 1.00 0.00 C ATOM 745 C THR A 143 77.112 5.300 6.229 1.00 0.00 C ATOM 746 O THR A 143 75.933 5.656 6.253 1.00 0.00 O ATOM 747 CB THR A 143 77.411 6.168 3.911 1.00 0.00 C ATOM 748 OG1 THR A 143 77.800 5.812 2.591 1.00 0.00 O ATOM 749 CG2 THR A 143 78.134 7.448 4.331 1.00 0.00 C ATOM 0 H THR A 143 76.522 3.848 3.669 1.00 0.00 H new ATOM 0 HA THR A 143 78.856 4.981 5.002 1.00 0.00 H new ATOM 0 HB THR A 143 76.335 6.337 3.940 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.566 6.537 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.873 8.255 3.646 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.834 7.720 5.343 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.211 7.283 4.304 1.00 0.00 H new ATOM 757 N PRO A 144 77.806 5.189 7.347 1.00 0.00 N ATOM 758 CA PRO A 144 77.147 5.323 8.690 1.00 0.00 C ATOM 759 C PRO A 144 76.429 6.661 8.887 1.00 0.00 C ATOM 760 O PRO A 144 75.616 6.801 9.802 1.00 0.00 O ATOM 761 CB PRO A 144 78.290 5.171 9.703 1.00 0.00 C ATOM 762 CG PRO A 144 79.403 4.522 8.956 1.00 0.00 C ATOM 763 CD PRO A 144 79.257 4.978 7.509 1.00 0.00 C ATOM 0 HA PRO A 144 76.365 4.573 8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.595 6.140 10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 144 77.982 4.563 10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.370 4.817 9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.343 3.436 9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.817 5.894 7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.631 4.227 6.814 1.00 0.00 H new ATOM 771 N GLY A 145 76.723 7.642 8.038 1.00 0.00 N ATOM 772 CA GLY A 145 76.133 8.971 8.179 1.00 0.00 C ATOM 773 C GLY A 145 74.636 8.998 7.855 1.00 0.00 C ATOM 774 O GLY A 145 73.922 9.893 8.305 1.00 0.00 O ATOM 0 H GLY A 145 77.362 7.544 7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.285 9.324 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.654 9.666 7.521 1.00 0.00 H new ATOM 778 N ILE A 146 74.157 8.028 7.078 1.00 0.00 N ATOM 779 CA ILE A 146 72.760 8.018 6.652 1.00 0.00 C ATOM 780 C ILE A 146 71.949 7.057 7.516 1.00 0.00 C ATOM 781 O ILE A 146 72.414 5.972 7.869 1.00 0.00 O ATOM 782 CB ILE A 146 72.666 7.618 5.172 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.501 8.585 4.325 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.207 7.683 4.707 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.627 8.054 2.897 1.00 0.00 C ATOM 0 H ILE A 146 74.712 7.244 6.733 1.00 0.00 H new ATOM 0 HA ILE A 146 72.348 9.020 6.772 1.00 0.00 H new ATOM 0 HB ILE A 146 73.043 6.602 5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.034 9.570 4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.491 8.706 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.147 7.398 3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.604 6.998 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.831 8.699 4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.222 8.747 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.114 7.079 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.635 7.957 2.456 1.00 0.00 H new ATOM 797 N ALA A 147 70.730 7.470 7.852 1.00 0.00 N ATOM 798 CA ALA A 147 69.868 6.685 8.727 1.00 0.00 C ATOM 799 C ALA A 147 69.559 5.313 8.133 1.00 0.00 C ATOM 800 O ALA A 147 69.644 5.099 6.918 1.00 0.00 O ATOM 801 CB ALA A 147 68.564 7.445 8.986 1.00 0.00 C ATOM 0 H ALA A 147 70.317 8.346 7.530 1.00 0.00 H new ATOM 0 HA ALA A 147 70.398 6.529 9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 147 67.923 6.855 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.788 8.400 9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.052 7.622 8.040 1.00 0.00 H new ATOM 807 N SER A 148 69.226 4.376 9.016 1.00 0.00 N ATOM 808 CA SER A 148 68.834 3.040 8.592 1.00 0.00 C ATOM 809 C SER A 148 67.719 2.503 9.484 1.00 0.00 C ATOM 810 O SER A 148 67.747 2.663 10.704 1.00 0.00 O ATOM 811 CB SER A 148 70.038 2.099 8.654 1.00 0.00 C ATOM 812 OG SER A 148 70.352 1.832 10.014 1.00 0.00 O ATOM 0 H SER A 148 69.220 4.519 10.026 1.00 0.00 H new ATOM 0 HA SER A 148 68.470 3.095 7.566 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.816 1.169 8.130 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.894 2.551 8.152 1.00 0.00 H new ATOM 0 HG SER A 148 71.122 1.228 10.059 1.00 0.00 H new ATOM 818 N SER A 149 66.739 1.865 8.854 1.00 0.00 N ATOM 819 CA SER A 149 65.627 1.251 9.570 1.00 0.00 C ATOM 820 C SER A 149 65.508 -0.217 9.160 1.00 0.00 C ATOM 821 O SER A 149 66.083 -0.608 8.145 1.00 0.00 O ATOM 822 CB SER A 149 64.335 1.996 9.227 1.00 0.00 C ATOM 823 OG SER A 149 64.031 1.792 7.853 1.00 0.00 O ATOM 0 H SER A 149 66.693 1.759 7.841 1.00 0.00 H new ATOM 0 HA SER A 149 65.801 1.308 10.644 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.517 1.636 9.851 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.449 3.060 9.433 1.00 0.00 H new ATOM 0 HG SER A 149 64.807 2.037 7.306 1.00 0.00 H new ATOM 829 N PRO A 150 64.803 -1.044 9.905 1.00 0.00 N ATOM 830 CA PRO A 150 64.638 -2.486 9.531 1.00 0.00 C ATOM 831 C PRO A 150 64.288 -2.669 8.054 1.00 0.00 C ATOM 832 O PRO A 150 64.879 -3.499 7.361 1.00 0.00 O ATOM 833 CB PRO A 150 63.500 -2.968 10.430 1.00 0.00 C ATOM 834 CG PRO A 150 63.586 -2.110 11.645 1.00 0.00 C ATOM 835 CD PRO A 150 64.108 -0.752 11.177 1.00 0.00 C ATOM 0 HA PRO A 150 65.561 -3.049 9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.534 -2.860 9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.614 -4.022 10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.610 -2.009 12.119 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.255 -2.550 12.385 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.294 -0.042 11.031 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.786 -0.313 11.909 1.00 0.00 H new ATOM 843 N GLU A 151 63.348 -1.864 7.567 1.00 0.00 N ATOM 844 CA GLU A 151 62.967 -1.922 6.161 1.00 0.00 C ATOM 845 C GLU A 151 64.179 -1.661 5.271 1.00 0.00 C ATOM 846 O GLU A 151 64.400 -2.359 4.281 1.00 0.00 O ATOM 847 CB GLU A 151 61.881 -0.883 5.869 1.00 0.00 C ATOM 848 CG GLU A 151 60.621 -1.221 6.673 1.00 0.00 C ATOM 849 CD GLU A 151 59.479 -0.257 6.348 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.746 0.831 5.859 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.343 -0.618 6.608 1.00 0.00 O ATOM 0 H GLU A 151 62.842 -1.171 8.119 1.00 0.00 H new ATOM 0 HA GLU A 151 62.579 -2.918 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.236 0.114 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.653 -0.870 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.311 -2.243 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.845 -1.177 7.739 1.00 0.00 H new ATOM 858 N CYS A 152 64.982 -0.669 5.644 1.00 0.00 N ATOM 859 CA CYS A 152 66.164 -0.327 4.861 1.00 0.00 C ATOM 860 C CYS A 152 67.113 -1.517 4.778 1.00 0.00 C ATOM 861 O CYS A 152 67.668 -1.809 3.721 1.00 0.00 O ATOM 862 CB CYS A 152 66.892 0.861 5.490 1.00 0.00 C ATOM 863 SG CYS A 152 65.755 2.264 5.619 1.00 0.00 S ATOM 0 H CYS A 152 64.838 -0.094 6.474 1.00 0.00 H new ATOM 0 HA CYS A 152 65.840 -0.059 3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.267 0.591 6.477 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.756 1.134 4.885 1.00 0.00 H new ATOM 0 HG CYS A 152 66.063 3.156 4.725 1.00 0.00 H new ATOM 869 N MET A 153 67.287 -2.213 5.895 1.00 0.00 N ATOM 870 CA MET A 153 68.200 -3.349 5.944 1.00 0.00 C ATOM 871 C MET A 153 67.802 -4.395 4.911 1.00 0.00 C ATOM 872 O MET A 153 68.644 -4.916 4.181 1.00 0.00 O ATOM 873 CB MET A 153 68.183 -3.975 7.341 1.00 0.00 C ATOM 874 CG MET A 153 68.684 -2.965 8.379 1.00 0.00 C ATOM 875 SD MET A 153 69.482 -3.849 9.742 1.00 0.00 S ATOM 876 CE MET A 153 70.947 -4.404 8.835 1.00 0.00 C ATOM 0 H MET A 153 66.811 -2.013 6.775 1.00 0.00 H new ATOM 0 HA MET A 153 69.206 -2.994 5.719 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.172 -4.294 7.592 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.811 -4.865 7.356 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.388 -2.273 7.918 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.852 -2.370 8.755 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.048 -5.485 8.933 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.843 -4.143 7.782 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.833 -3.919 9.244 1.00 0.00 H new ATOM 886 N GLU A 154 66.507 -4.683 4.838 1.00 0.00 N ATOM 887 CA GLU A 154 66.011 -5.663 3.880 1.00 0.00 C ATOM 888 C GLU A 154 66.371 -5.243 2.459 1.00 0.00 C ATOM 889 O GLU A 154 66.864 -6.042 1.664 1.00 0.00 O ATOM 890 CB GLU A 154 64.492 -5.799 4.006 1.00 0.00 C ATOM 891 CG GLU A 154 64.144 -6.405 5.370 1.00 0.00 C ATOM 892 CD GLU A 154 62.637 -6.634 5.508 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.875 -5.995 4.797 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.264 -7.454 6.330 1.00 0.00 O ATOM 0 H GLU A 154 65.789 -4.257 5.424 1.00 0.00 H new ATOM 0 HA GLU A 154 66.477 -6.625 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.019 -4.823 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.105 -6.431 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.671 -7.351 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.487 -5.741 6.164 1.00 0.00 H new ATOM 901 N LEU A 155 66.147 -3.971 2.155 1.00 0.00 N ATOM 902 CA LEU A 155 66.449 -3.449 0.825 1.00 0.00 C ATOM 903 C LEU A 155 67.928 -3.643 0.494 1.00 0.00 C ATOM 904 O LEU A 155 68.284 -4.028 -0.619 1.00 0.00 O ATOM 905 CB LEU A 155 66.080 -1.963 0.761 1.00 0.00 C ATOM 906 CG LEU A 155 64.567 -1.804 0.956 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.242 -0.352 1.318 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.825 -2.172 -0.332 1.00 0.00 C ATOM 0 H LEU A 155 65.761 -3.285 2.804 1.00 0.00 H new ATOM 0 HA LEU A 155 65.861 -3.997 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.617 -1.410 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.380 -1.544 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 155 64.249 -2.468 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.166 -0.243 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.755 -0.084 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.573 0.306 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.752 -2.055 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.151 -1.516 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 155 64.043 -3.207 -0.595 1.00 0.00 H new ATOM 920 N TYR A 156 68.785 -3.407 1.479 1.00 0.00 N ATOM 921 CA TYR A 156 70.224 -3.561 1.293 1.00 0.00 C ATOM 922 C TYR A 156 70.560 -4.993 0.887 1.00 0.00 C ATOM 923 O TYR A 156 71.299 -5.226 -0.069 1.00 0.00 O ATOM 924 CB TYR A 156 70.934 -3.199 2.602 1.00 0.00 C ATOM 925 CG TYR A 156 72.429 -3.427 2.593 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.248 -2.704 1.718 1.00 0.00 C ATOM 927 CD2 TYR A 156 72.996 -4.356 3.475 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.633 -2.911 1.725 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.380 -4.563 3.479 1.00 0.00 C ATOM 930 CZ TYR A 156 75.198 -3.840 2.605 1.00 0.00 C ATOM 931 OH TYR A 156 76.564 -4.043 2.611 1.00 0.00 O ATOM 0 H TYR A 156 68.510 -3.108 2.415 1.00 0.00 H new ATOM 0 HA TYR A 156 70.561 -2.897 0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.741 -2.150 2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.496 -3.783 3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.812 -1.987 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.365 -4.913 4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.265 -2.353 1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.816 -5.281 4.157 1.00 0.00 H new ATOM 0 HH TYR A 156 77.009 -3.286 2.177 1.00 0.00 H new ATOM 941 N MET A 157 69.991 -5.950 1.607 1.00 0.00 N ATOM 942 CA MET A 157 70.259 -7.358 1.337 1.00 0.00 C ATOM 943 C MET A 157 69.897 -7.703 -0.105 1.00 0.00 C ATOM 944 O MET A 157 70.659 -8.364 -0.811 1.00 0.00 O ATOM 945 CB MET A 157 69.450 -8.226 2.303 1.00 0.00 C ATOM 946 CG MET A 157 69.804 -9.702 2.102 1.00 0.00 C ATOM 947 SD MET A 157 68.909 -10.704 3.317 1.00 0.00 S ATOM 948 CE MET A 157 67.237 -10.354 2.719 1.00 0.00 C ATOM 0 H MET A 157 69.345 -5.780 2.378 1.00 0.00 H new ATOM 0 HA MET A 157 71.322 -7.551 1.481 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.658 -7.930 3.331 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.384 -8.073 2.136 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.543 -10.016 1.091 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.878 -9.849 2.213 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.648 -11.271 2.727 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.766 -9.615 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.288 -9.965 1.702 1.00 0.00 H new ATOM 958 N GLU A 158 68.740 -7.225 -0.546 1.00 0.00 N ATOM 959 CA GLU A 158 68.268 -7.525 -1.892 1.00 0.00 C ATOM 960 C GLU A 158 69.270 -7.033 -2.930 1.00 0.00 C ATOM 961 O GLU A 158 69.627 -7.760 -3.859 1.00 0.00 O ATOM 962 CB GLU A 158 66.912 -6.858 -2.132 1.00 0.00 C ATOM 963 CG GLU A 158 65.871 -7.456 -1.180 1.00 0.00 C ATOM 964 CD GLU A 158 65.693 -8.954 -1.433 1.00 0.00 C ATOM 965 OE1 GLU A 158 65.955 -9.396 -2.541 1.00 0.00 O ATOM 966 OE2 GLU A 158 65.293 -9.641 -0.507 1.00 0.00 O ATOM 0 H GLU A 158 68.116 -6.633 0.003 1.00 0.00 H new ATOM 0 HA GLU A 158 68.162 -8.606 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 158 66.991 -5.783 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.601 -7.005 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 158 66.180 -7.292 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 158 64.917 -6.945 -1.312 1.00 0.00 H new ATOM 973 N ALA A 159 69.748 -5.806 -2.754 1.00 0.00 N ATOM 974 CA ALA A 159 70.689 -5.225 -3.705 1.00 0.00 C ATOM 975 C ALA A 159 71.943 -6.086 -3.809 1.00 0.00 C ATOM 976 O ALA A 159 72.430 -6.371 -4.902 1.00 0.00 O ATOM 977 CB ALA A 159 71.073 -3.809 -3.274 1.00 0.00 C ATOM 0 H ALA A 159 69.503 -5.200 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 159 70.206 -5.183 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.776 -3.388 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.179 -3.186 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.538 -3.842 -2.289 1.00 0.00 H new ATOM 983 N LEU A 160 72.446 -6.531 -2.662 1.00 0.00 N ATOM 984 CA LEU A 160 73.659 -7.342 -2.634 1.00 0.00 C ATOM 985 C LEU A 160 73.492 -8.584 -3.502 1.00 0.00 C ATOM 986 O LEU A 160 74.394 -8.957 -4.252 1.00 0.00 O ATOM 987 CB LEU A 160 73.974 -7.770 -1.200 1.00 0.00 C ATOM 988 CG LEU A 160 74.370 -6.550 -0.366 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.448 -6.945 1.110 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.736 -6.037 -0.831 1.00 0.00 C ATOM 0 H LEU A 160 72.037 -6.346 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 160 74.480 -6.740 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.105 -8.257 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.783 -8.500 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 160 73.625 -5.765 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.730 -6.076 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.476 -7.311 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.194 -7.730 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 160 76.019 -5.168 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.482 -6.822 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.680 -5.756 -1.883 1.00 0.00 H new ATOM 1002 N GLN A 161 72.332 -9.217 -3.390 1.00 0.00 N ATOM 1003 CA GLN A 161 72.050 -10.410 -4.180 1.00 0.00 C ATOM 1004 C GLN A 161 72.125 -10.089 -5.668 1.00 0.00 C ATOM 1005 O GLN A 161 72.773 -10.797 -6.438 1.00 0.00 O ATOM 1006 CB GLN A 161 70.658 -10.946 -3.839 1.00 0.00 C ATOM 1007 CG GLN A 161 70.631 -11.410 -2.380 1.00 0.00 C ATOM 1008 CD GLN A 161 69.228 -11.869 -1.996 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.245 -11.465 -2.620 1.00 0.00 O ATOM 1010 NE2 GLN A 161 69.073 -12.695 -0.998 1.00 0.00 N ATOM 0 H GLN A 161 71.577 -8.929 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 161 72.796 -11.169 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.909 -10.170 -3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.404 -11.775 -4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.340 -12.226 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.946 -10.596 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 161 69.887 -13.029 -0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.138 -13.006 -0.734 1.00 0.00 H new ATOM 1019 N ARG A 162 71.504 -8.983 -6.060 1.00 0.00 N ATOM 1020 CA ARG A 162 71.450 -8.602 -7.468 1.00 0.00 C ATOM 1021 C ARG A 162 72.850 -8.490 -8.064 1.00 0.00 C ATOM 1022 O ARG A 162 73.088 -8.910 -9.197 1.00 0.00 O ATOM 1023 CB ARG A 162 70.733 -7.257 -7.615 1.00 0.00 C ATOM 1024 CG ARG A 162 69.293 -7.364 -7.098 1.00 0.00 C ATOM 1025 CD ARG A 162 68.387 -6.391 -7.857 1.00 0.00 C ATOM 1026 NE ARG A 162 68.185 -6.856 -9.233 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.297 -6.308 -10.076 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.532 -5.301 -9.730 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.190 -6.794 -11.283 1.00 0.00 N ATOM 0 H ARG A 162 71.033 -8.337 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 162 70.904 -9.378 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.270 -6.488 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.730 -6.951 -8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 162 68.929 -8.384 -7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.264 -7.143 -6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.426 -6.306 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.833 -5.397 -7.863 1.00 0.00 H new ATOM 0 HE ARG A 162 68.749 -7.637 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.600 -4.907 -8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 162 65.868 -4.911 -10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 162 67.776 -7.577 -11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 162 66.520 -6.390 -11.938 1.00 0.00 H new ATOM 1043 N ILE A 163 73.773 -7.922 -7.295 1.00 0.00 N ATOM 1044 CA ILE A 163 75.123 -7.667 -7.801 1.00 0.00 C ATOM 1045 C ILE A 163 76.078 -8.855 -7.617 1.00 0.00 C ATOM 1046 O ILE A 163 77.291 -8.697 -7.754 1.00 0.00 O ATOM 1047 CB ILE A 163 75.709 -6.424 -7.126 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.716 -6.611 -5.607 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.860 -5.202 -7.492 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.567 -5.516 -4.959 1.00 0.00 C ATOM 0 H ILE A 163 73.617 -7.631 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 163 75.025 -7.506 -8.875 1.00 0.00 H new ATOM 0 HB ILE A 163 76.733 -6.274 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.698 -6.571 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.114 -7.593 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.274 -4.315 -7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 163 74.865 -5.066 -8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.836 -5.355 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.571 -5.651 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.588 -5.578 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.149 -4.539 -5.202 1.00 0.00 H new ATOM 1062 N GLY A 164 75.545 -10.035 -7.308 1.00 0.00 N ATOM 1063 CA GLY A 164 76.365 -11.242 -7.230 1.00 0.00 C ATOM 1064 C GLY A 164 77.219 -11.317 -5.961 1.00 0.00 C ATOM 1065 O GLY A 164 78.178 -12.090 -5.910 1.00 0.00 O ATOM 0 H GLY A 164 74.555 -10.181 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.716 -12.117 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.018 -11.285 -8.102 1.00 0.00 H new ATOM 1069 N ARG A 165 76.883 -10.529 -4.941 1.00 0.00 N ATOM 1070 CA ARG A 165 77.605 -10.588 -3.674 1.00 0.00 C ATOM 1071 C ARG A 165 76.855 -11.474 -2.684 1.00 0.00 C ATOM 1072 O ARG A 165 76.060 -10.986 -1.879 1.00 0.00 O ATOM 1073 CB ARG A 165 77.772 -9.182 -3.095 1.00 0.00 C ATOM 1074 CG ARG A 165 78.723 -8.376 -3.983 1.00 0.00 C ATOM 1075 CD ARG A 165 79.036 -7.035 -3.317 1.00 0.00 C ATOM 1076 NE ARG A 165 79.848 -6.202 -4.210 1.00 0.00 N ATOM 1077 CZ ARG A 165 81.124 -6.477 -4.522 1.00 0.00 C ATOM 1078 NH1 ARG A 165 81.751 -7.525 -4.043 1.00 0.00 N ATOM 1079 NH2 ARG A 165 81.763 -5.675 -5.328 1.00 0.00 N ATOM 0 H ARG A 165 76.123 -9.849 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 165 78.592 -11.014 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.804 -8.684 -3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.165 -9.239 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.644 -8.935 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.271 -8.211 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 165 78.109 -6.518 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.568 -7.202 -2.380 1.00 0.00 H new ATOM 0 HE ARG A 165 79.420 -5.369 -4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 165 81.268 -8.163 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 165 82.721 -7.702 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 165 81.292 -4.855 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 165 82.733 -5.868 -5.576 1.00 0.00 H new