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 -76:sc= 1.16 USER MOD Set 1.2: A 152 CYS SG : rot -105:sc= 1.16 USER MOD Single : A 103 MET CE :methyl 136:sc= -0.161 (180deg=-0.988) USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000452 USER MOD Single : A 109 GLN : amide:sc=-0.000505 K(o=-0.00051,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -8:sc= 0.192 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0.552 K(o=0.55,f=-9.5!) 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 110:sc= -0.408 USER MOD Single : A 132 ASN : amide:sc= -0.168 X(o=-0.17,f=0) 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) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot -37:sc= 0.603 USER MOD Single : A 143 THR OG1 : rot 77:sc= 0.0272 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -113:sc= -0.251 (180deg=-1.7) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 140:sc= -0.189 (180deg=-1.35!) USER MOD Single : A 161 GLN : amide:sc=-0.00642 K(o=-0.0064,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.499 11.242 -11.093 1.00 0.29 N ATOM 101 CA MET A 103 60.074 10.783 -9.774 1.00 0.26 C ATOM 102 C MET A 103 61.277 10.387 -8.920 1.00 0.19 C ATOM 103 O MET A 103 61.395 10.800 -7.765 1.00 0.17 O ATOM 104 CB MET A 103 59.134 9.584 -9.918 1.00 0.30 C ATOM 105 CG MET A 103 57.860 10.017 -10.647 1.00 0.75 C ATOM 106 SD MET A 103 56.659 8.664 -10.618 1.00 1.24 S ATOM 107 CE MET A 103 56.220 8.790 -8.867 1.00 1.55 C ATOM 0 HA MET A 103 59.551 11.602 -9.281 1.00 0.26 H new ATOM 0 HB2 MET A 103 59.628 8.786 -10.471 1.00 0.30 H new ATOM 0 HB3 MET A 103 58.885 9.184 -8.935 1.00 0.30 H new ATOM 0 HG2 MET A 103 57.438 10.902 -10.170 1.00 0.75 H new ATOM 0 HG3 MET A 103 58.092 10.289 -11.677 1.00 0.75 H new ATOM 0 HE1 MET A 103 55.138 8.711 -8.756 1.00 1.55 H new ATOM 0 HE2 MET A 103 56.701 7.984 -8.312 1.00 1.55 H new ATOM 0 HE3 MET A 103 56.556 9.751 -8.476 1.00 1.55 H new ATOM 117 N LEU A 104 62.183 9.608 -9.503 1.00 0.15 N ATOM 118 CA LEU A 104 63.368 9.159 -8.780 1.00 0.12 C ATOM 119 C LEU A 104 64.154 10.349 -8.235 1.00 0.12 C ATOM 120 O LEU A 104 64.532 10.373 -7.064 1.00 0.11 O ATOM 121 CB LEU A 104 64.272 8.339 -9.705 1.00 0.15 C ATOM 122 CG LEU A 104 63.520 7.108 -10.218 1.00 0.21 C ATOM 123 CD1 LEU A 104 64.381 6.378 -11.251 1.00 0.20 C ATOM 124 CD2 LEU A 104 63.222 6.165 -9.051 1.00 0.49 C ATOM 0 H LEU A 104 62.121 9.277 -10.466 1.00 0.15 H new ATOM 0 HA LEU A 104 63.039 8.539 -7.946 1.00 0.12 H new ATOM 0 HB2 LEU A 104 64.598 8.952 -10.545 1.00 0.15 H new ATOM 0 HB3 LEU A 104 65.169 8.030 -9.169 1.00 0.15 H new ATOM 0 HG LEU A 104 62.584 7.423 -10.679 1.00 0.21 H new ATOM 0 HD11 LEU A 104 63.846 5.501 -11.616 1.00 0.20 H new ATOM 0 HD12 LEU A 104 64.594 7.047 -12.085 1.00 0.20 H new ATOM 0 HD13 LEU A 104 65.317 6.065 -10.789 1.00 0.20 H new ATOM 0 HD21 LEU A 104 62.687 5.289 -9.418 1.00 0.49 H new ATOM 0 HD22 LEU A 104 64.158 5.851 -8.589 1.00 0.49 H new ATOM 0 HD23 LEU A 104 62.609 6.682 -8.313 1.00 0.49 H new ATOM 136 N ALA A 105 64.374 11.347 -9.082 1.00 0.15 N ATOM 137 CA ALA A 105 65.180 12.499 -8.692 1.00 0.17 C ATOM 138 C ALA A 105 64.574 13.218 -7.491 1.00 0.17 C ATOM 139 O ALA A 105 65.266 13.490 -6.514 1.00 0.17 O ATOM 140 CB ALA A 105 65.301 13.473 -9.866 1.00 0.20 C ATOM 0 H ALA A 105 64.010 11.383 -10.034 1.00 0.15 H new ATOM 0 HA ALA A 105 66.169 12.137 -8.411 1.00 0.17 H new ATOM 0 HB1 ALA A 105 65.904 14.330 -9.567 1.00 0.20 H new ATOM 0 HB2 ALA A 105 65.777 12.971 -10.708 1.00 0.20 H new ATOM 0 HB3 ALA A 105 64.308 13.813 -10.161 1.00 0.20 H new ATOM 146 N THR A 106 63.278 13.507 -7.550 1.00 0.17 N ATOM 147 CA THR A 106 62.612 14.225 -6.466 1.00 0.18 C ATOM 148 C THR A 106 62.844 13.541 -5.119 1.00 0.16 C ATOM 149 O THR A 106 63.296 14.170 -4.160 1.00 0.16 O ATOM 150 CB THR A 106 61.109 14.308 -6.743 1.00 0.19 C ATOM 151 OG1 THR A 106 60.897 14.843 -8.041 1.00 0.21 O ATOM 152 CG2 THR A 106 60.443 15.210 -5.701 1.00 0.20 C ATOM 0 H THR A 106 62.671 13.258 -8.331 1.00 0.17 H new ATOM 0 HA THR A 106 63.036 15.228 -6.419 1.00 0.18 H new ATOM 0 HB THR A 106 60.674 13.310 -6.686 1.00 0.19 H new ATOM 0 HG1 THR A 106 59.935 14.895 -8.220 1.00 0.21 H new ATOM 0 HG21 THR A 106 59.373 15.268 -5.900 1.00 0.20 H new ATOM 0 HG22 THR A 106 60.605 14.797 -4.705 1.00 0.20 H new ATOM 0 HG23 THR A 106 60.876 16.209 -5.754 1.00 0.20 H new ATOM 160 N ARG A 107 62.559 12.244 -5.060 1.00 0.15 N ATOM 161 CA ARG A 107 62.724 11.498 -3.816 1.00 0.16 C ATOM 162 C ARG A 107 64.157 11.608 -3.300 1.00 0.13 C ATOM 163 O ARG A 107 64.378 11.856 -2.113 1.00 0.11 O ATOM 164 CB ARG A 107 62.362 10.028 -4.037 1.00 0.23 C ATOM 165 CG ARG A 107 60.916 9.921 -4.527 1.00 0.35 C ATOM 166 CD ARG A 107 59.955 10.264 -3.386 1.00 0.46 C ATOM 167 NE ARG A 107 58.573 9.981 -3.787 1.00 0.39 N ATOM 168 CZ ARG A 107 58.001 8.774 -3.665 1.00 1.02 C ATOM 169 NH1 ARG A 107 58.641 7.742 -3.169 1.00 1.96 N ATOM 170 NH2 ARG A 107 56.763 8.621 -4.052 1.00 0.92 N ATOM 0 H ARG A 107 62.217 11.693 -5.847 1.00 0.15 H new ATOM 0 HA ARG A 107 62.056 11.927 -3.069 1.00 0.16 H new ATOM 0 HB2 ARG A 107 63.038 9.583 -4.768 1.00 0.23 H new ATOM 0 HB3 ARG A 107 62.484 9.470 -3.109 1.00 0.23 H new ATOM 0 HG2 ARG A 107 60.756 10.598 -5.366 1.00 0.35 H new ATOM 0 HG3 ARG A 107 60.719 8.912 -4.890 1.00 0.35 H new ATOM 0 HD2 ARG A 107 60.210 9.684 -2.499 1.00 0.46 H new ATOM 0 HD3 ARG A 107 60.056 11.316 -3.119 1.00 0.46 H new ATOM 0 HE ARG A 107 58.018 10.742 -4.179 1.00 0.39 H new ATOM 0 HH11 ARG A 107 59.608 7.842 -2.860 1.00 1.96 H new ATOM 0 HH12 ARG A 107 58.172 6.840 -3.092 1.00 1.96 H new ATOM 0 HH21 ARG A 107 56.248 9.412 -4.439 1.00 0.92 H new ATOM 0 HH22 ARG A 107 56.311 7.711 -3.967 1.00 0.92 H new ATOM 184 N GLU A 108 65.132 11.446 -4.192 1.00 0.14 N ATOM 185 CA GLU A 108 66.532 11.505 -3.787 1.00 0.13 C ATOM 186 C GLU A 108 66.859 12.864 -3.176 1.00 0.13 C ATOM 187 O GLU A 108 67.577 12.943 -2.182 1.00 0.12 O ATOM 188 CB GLU A 108 67.444 11.232 -4.988 1.00 0.16 C ATOM 189 CG GLU A 108 68.908 11.196 -4.529 1.00 0.17 C ATOM 190 CD GLU A 108 69.850 10.781 -5.664 1.00 0.22 C ATOM 191 OE1 GLU A 108 69.422 10.735 -6.808 1.00 1.15 O ATOM 192 OE2 GLU A 108 71.005 10.521 -5.368 1.00 1.04 O ATOM 0 H GLU A 108 64.981 11.275 -5.186 1.00 0.14 H new ATOM 0 HA GLU A 108 66.704 10.737 -3.032 1.00 0.13 H new ATOM 0 HB2 GLU A 108 67.175 10.283 -5.453 1.00 0.16 H new ATOM 0 HB3 GLU A 108 67.309 12.006 -5.743 1.00 0.16 H new ATOM 0 HG2 GLU A 108 69.197 12.179 -4.158 1.00 0.17 H new ATOM 0 HG3 GLU A 108 69.011 10.499 -3.698 1.00 0.17 H new ATOM 199 N GLN A 109 66.324 13.929 -3.763 1.00 0.14 N ATOM 200 CA GLN A 109 66.599 15.275 -3.270 1.00 0.15 C ATOM 201 C GLN A 109 66.173 15.402 -1.813 1.00 0.14 C ATOM 202 O GLN A 109 66.912 15.932 -0.984 1.00 0.15 O ATOM 203 CB GLN A 109 65.857 16.310 -4.118 1.00 0.17 C ATOM 204 CG GLN A 109 66.475 16.366 -5.516 1.00 1.05 C ATOM 205 CD GLN A 109 65.682 17.316 -6.410 1.00 1.18 C ATOM 206 OE1 GLN A 109 64.514 17.599 -6.143 1.00 1.07 O ATOM 207 NE2 GLN A 109 66.254 17.830 -7.465 1.00 1.81 N ATOM 0 H GLN A 109 65.704 13.889 -4.572 1.00 0.14 H new ATOM 0 HA GLN A 109 67.671 15.458 -3.343 1.00 0.15 H new ATOM 0 HB2 GLN A 109 64.801 16.049 -4.186 1.00 0.17 H new ATOM 0 HB3 GLN A 109 65.913 17.290 -3.645 1.00 0.17 H new ATOM 0 HG2 GLN A 109 67.511 16.698 -5.450 1.00 1.05 H new ATOM 0 HG3 GLN A 109 66.488 15.369 -5.955 1.00 1.05 H new ATOM 0 HE21 GLN A 109 67.222 17.595 -7.686 1.00 1.81 H new ATOM 0 HE22 GLN A 109 65.733 18.466 -8.068 1.00 1.81 H new ATOM 216 N GLU A 110 64.990 14.887 -1.503 1.00 0.14 N ATOM 217 CA GLU A 110 64.479 14.959 -0.138 1.00 0.13 C ATOM 218 C GLU A 110 65.420 14.241 0.824 1.00 0.12 C ATOM 219 O GLU A 110 65.762 14.765 1.883 1.00 0.12 O ATOM 220 CB GLU A 110 63.088 14.327 -0.065 1.00 0.15 C ATOM 221 CG GLU A 110 62.113 15.127 -0.935 1.00 1.05 C ATOM 222 CD GLU A 110 60.686 14.585 -0.820 1.00 1.33 C ATOM 223 OE1 GLU A 110 60.516 13.449 -0.402 1.00 1.69 O ATOM 224 OE2 GLU A 110 59.775 15.322 -1.157 1.00 2.02 O ATOM 0 H GLU A 110 64.373 14.421 -2.167 1.00 0.14 H new ATOM 0 HA GLU A 110 64.414 16.008 0.151 1.00 0.13 H new ATOM 0 HB2 GLU A 110 63.129 13.292 -0.405 1.00 0.15 H new ATOM 0 HB3 GLU A 110 62.739 14.309 0.968 1.00 0.15 H new ATOM 0 HG2 GLU A 110 62.131 16.175 -0.635 1.00 1.05 H new ATOM 0 HG3 GLU A 110 62.436 15.088 -1.975 1.00 1.05 H new ATOM 231 N ALA A 111 65.859 13.050 0.436 1.00 0.10 N ATOM 232 CA ALA A 111 66.746 12.262 1.284 1.00 0.10 C ATOM 233 C ALA A 111 68.035 13.026 1.568 1.00 0.12 C ATOM 234 O ALA A 111 68.469 13.126 2.715 1.00 0.13 O ATOM 235 CB ALA A 111 67.078 10.934 0.599 1.00 0.11 C ATOM 0 H ALA A 111 65.618 12.611 -0.453 1.00 0.10 H new ATOM 0 HA ALA A 111 66.237 12.067 2.228 1.00 0.10 H new ATOM 0 HB1 ALA A 111 67.741 10.351 1.238 1.00 0.11 H new ATOM 0 HB2 ALA A 111 66.159 10.375 0.424 1.00 0.11 H new ATOM 0 HB3 ALA A 111 67.571 11.129 -0.353 1.00 0.11 H new ATOM 241 N ASN A 112 68.636 13.573 0.517 1.00 0.13 N ATOM 242 CA ASN A 112 69.896 14.293 0.661 1.00 0.15 C ATOM 243 C ASN A 112 69.746 15.466 1.624 1.00 0.17 C ATOM 244 O ASN A 112 70.625 15.719 2.447 1.00 0.19 O ATOM 245 CB ASN A 112 70.364 14.812 -0.701 1.00 0.17 C ATOM 246 CG ASN A 112 70.687 13.644 -1.626 1.00 1.08 C ATOM 247 OD1 ASN A 112 70.289 13.648 -2.791 1.00 1.90 O ATOM 248 ND2 ASN A 112 71.393 12.640 -1.180 1.00 1.54 N ATOM 0 H ASN A 112 68.275 13.533 -0.436 1.00 0.13 H new ATOM 0 HA ASN A 112 70.636 13.601 1.063 1.00 0.15 H new ATOM 0 HB2 ASN A 112 69.589 15.435 -1.147 1.00 0.17 H new ATOM 0 HB3 ASN A 112 71.245 15.441 -0.576 1.00 0.17 H new ATOM 0 HD21 ASN A 112 71.615 11.859 -1.797 1.00 1.54 H new ATOM 0 HD22 ASN A 112 71.723 12.637 -0.215 1.00 1.54 H new ATOM 255 N LYS A 113 68.628 16.178 1.517 1.00 0.17 N ATOM 256 CA LYS A 113 68.379 17.321 2.388 1.00 0.20 C ATOM 257 C LYS A 113 68.394 16.880 3.846 1.00 0.18 C ATOM 258 O LYS A 113 69.002 17.524 4.700 1.00 0.21 O ATOM 259 CB LYS A 113 67.024 17.947 2.053 1.00 0.22 C ATOM 260 CG LYS A 113 66.830 19.224 2.873 1.00 1.12 C ATOM 261 CD LYS A 113 65.439 19.800 2.601 1.00 1.30 C ATOM 262 CE LYS A 113 65.300 21.153 3.300 1.00 2.16 C ATOM 263 NZ LYS A 113 64.215 21.940 2.647 1.00 2.58 N ATOM 0 H LYS A 113 67.887 15.986 0.843 1.00 0.17 H new ATOM 0 HA LYS A 113 69.164 18.060 2.231 1.00 0.20 H new ATOM 0 HB2 LYS A 113 66.971 18.175 0.988 1.00 0.22 H new ATOM 0 HB3 LYS A 113 66.223 17.240 2.268 1.00 0.22 H new ATOM 0 HG2 LYS A 113 66.944 19.007 3.935 1.00 1.12 H new ATOM 0 HG3 LYS A 113 67.595 19.955 2.613 1.00 1.12 H new ATOM 0 HD2 LYS A 113 65.285 19.916 1.528 1.00 1.30 H new ATOM 0 HD3 LYS A 113 64.673 19.113 2.960 1.00 1.30 H new ATOM 0 HE2 LYS A 113 65.073 21.007 4.356 1.00 2.16 H new ATOM 0 HE3 LYS A 113 66.242 21.699 3.249 1.00 2.16 H new ATOM 0 HZ1 LYS A 113 64.120 22.860 3.122 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 64.450 22.090 1.645 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 63.318 21.419 2.718 1.00 2.58 H new ATOM 277 N ASP A 114 67.713 15.771 4.117 1.00 0.14 N ATOM 278 CA ASP A 114 67.693 15.190 5.456 1.00 0.13 C ATOM 279 C ASP A 114 68.088 13.718 5.398 1.00 0.12 C ATOM 280 O ASP A 114 67.320 12.875 4.935 1.00 0.11 O ATOM 281 CB ASP A 114 66.294 15.322 6.061 1.00 0.14 C ATOM 282 CG ASP A 114 66.331 14.985 7.548 1.00 0.16 C ATOM 283 OD1 ASP A 114 67.097 14.109 7.920 1.00 1.04 O ATOM 284 OD2 ASP A 114 65.593 15.606 8.294 1.00 1.13 O ATOM 0 H ASP A 114 67.167 15.256 3.427 1.00 0.14 H new ATOM 0 HA ASP A 114 68.408 15.726 6.080 1.00 0.13 H new ATOM 0 HB2 ASP A 114 65.923 16.337 5.920 1.00 0.14 H new ATOM 0 HB3 ASP A 114 65.602 14.655 5.546 1.00 0.14 H new ATOM 289 N LEU A 115 69.298 13.412 5.855 1.00 0.12 N ATOM 290 CA LEU A 115 69.765 12.026 5.880 1.00 0.12 C ATOM 291 C LEU A 115 69.505 11.335 7.225 1.00 0.12 C ATOM 292 O LEU A 115 69.654 10.117 7.322 1.00 0.12 O ATOM 293 CB LEU A 115 71.263 11.967 5.567 1.00 0.14 C ATOM 294 CG LEU A 115 71.517 12.378 4.113 1.00 0.13 C ATOM 295 CD1 LEU A 115 73.022 12.532 3.885 1.00 0.15 C ATOM 296 CD2 LEU A 115 70.975 11.303 3.166 1.00 0.14 C ATOM 0 H LEU A 115 69.968 14.094 6.210 1.00 0.12 H new ATOM 0 HA LEU A 115 69.196 11.493 5.118 1.00 0.12 H new ATOM 0 HB2 LEU A 115 71.809 12.628 6.240 1.00 0.14 H new ATOM 0 HB3 LEU A 115 71.638 10.958 5.738 1.00 0.14 H new ATOM 0 HG LEU A 115 71.012 13.324 3.915 1.00 0.13 H new ATOM 0 HD11 LEU A 115 73.205 12.824 2.851 1.00 0.15 H new ATOM 0 HD12 LEU A 115 73.415 13.298 4.554 1.00 0.15 H new ATOM 0 HD13 LEU A 115 73.520 11.584 4.087 1.00 0.15 H new ATOM 0 HD21 LEU A 115 71.159 11.601 2.134 1.00 0.14 H new ATOM 0 HD22 LEU A 115 71.477 10.356 3.365 1.00 0.14 H new ATOM 0 HD23 LEU A 115 69.903 11.186 3.324 1.00 0.14 H new ATOM 308 N THR A 116 69.134 12.088 8.261 1.00 0.12 N ATOM 309 CA THR A 116 68.903 11.504 9.581 1.00 0.13 C ATOM 310 C THR A 116 67.439 11.104 9.809 1.00 0.12 C ATOM 311 O THR A 116 67.038 10.862 10.947 1.00 0.14 O ATOM 312 CB THR A 116 69.322 12.503 10.663 1.00 0.15 C ATOM 313 OG1 THR A 116 68.539 13.682 10.543 1.00 0.15 O ATOM 314 CG2 THR A 116 70.802 12.849 10.497 1.00 0.16 C ATOM 0 H THR A 116 68.988 13.096 8.212 1.00 0.12 H new ATOM 0 HA THR A 116 69.503 10.595 9.636 1.00 0.13 H new ATOM 0 HB THR A 116 69.166 12.061 11.647 1.00 0.15 H new ATOM 0 HG1 THR A 116 68.001 13.635 9.725 1.00 0.15 H new ATOM 0 HG21 THR A 116 71.098 13.560 11.268 1.00 0.16 H new ATOM 0 HG22 THR A 116 71.400 11.943 10.590 1.00 0.16 H new ATOM 0 HG23 THR A 116 70.964 13.291 9.514 1.00 0.16 H new ATOM 322 N SER A 117 66.636 11.032 8.745 1.00 0.11 N ATOM 323 CA SER A 117 65.236 10.635 8.874 1.00 0.11 C ATOM 324 C SER A 117 65.022 9.238 8.278 1.00 0.10 C ATOM 325 O SER A 117 64.787 9.128 7.074 1.00 0.09 O ATOM 326 CB SER A 117 64.355 11.637 8.127 1.00 0.10 C ATOM 327 OG SER A 117 63.013 11.169 8.126 1.00 0.20 O ATOM 0 H SER A 117 66.930 11.242 7.791 1.00 0.11 H new ATOM 0 HA SER A 117 64.970 10.617 9.931 1.00 0.11 H new ATOM 0 HB2 SER A 117 64.411 12.615 8.604 1.00 0.10 H new ATOM 0 HB3 SER A 117 64.711 11.760 7.104 1.00 0.10 H new ATOM 0 HG SER A 117 62.444 11.809 7.650 1.00 0.20 H new ATOM 333 N PRO A 118 65.064 8.181 9.065 1.00 0.11 N ATOM 334 CA PRO A 118 64.983 6.793 8.512 1.00 0.10 C ATOM 335 C PRO A 118 63.835 6.605 7.525 1.00 0.10 C ATOM 336 O PRO A 118 63.953 5.827 6.581 1.00 0.10 O ATOM 337 CB PRO A 118 64.786 5.905 9.741 1.00 0.12 C ATOM 338 CG PRO A 118 65.388 6.665 10.871 1.00 0.13 C ATOM 339 CD PRO A 118 65.215 8.146 10.535 1.00 0.12 C ATOM 0 HA PRO A 118 65.880 6.551 7.941 1.00 0.10 H new ATOM 0 HB2 PRO A 118 63.729 5.707 9.918 1.00 0.12 H new ATOM 0 HB3 PRO A 118 65.274 4.939 9.611 1.00 0.12 H new ATOM 0 HG2 PRO A 118 64.894 6.420 11.811 1.00 0.13 H new ATOM 0 HG3 PRO A 118 66.442 6.414 10.990 1.00 0.13 H new ATOM 0 HD2 PRO A 118 64.341 8.566 11.033 1.00 0.12 H new ATOM 0 HD3 PRO A 118 66.077 8.729 10.859 1.00 0.12 H new ATOM 347 N ASP A 119 62.738 7.329 7.726 1.00 0.10 N ATOM 348 CA ASP A 119 61.593 7.215 6.828 1.00 0.10 C ATOM 349 C ASP A 119 61.991 7.582 5.402 1.00 0.09 C ATOM 350 O ASP A 119 61.834 6.783 4.475 1.00 0.09 O ATOM 351 CB ASP A 119 60.461 8.129 7.299 1.00 0.13 C ATOM 352 CG ASP A 119 59.957 7.680 8.667 1.00 1.23 C ATOM 353 OD1 ASP A 119 59.941 6.484 8.909 1.00 2.02 O ATOM 354 OD2 ASP A 119 59.596 8.539 9.455 1.00 2.01 O ATOM 0 H ASP A 119 62.617 7.992 8.492 1.00 0.10 H new ATOM 0 HA ASP A 119 61.249 6.181 6.841 1.00 0.10 H new ATOM 0 HB2 ASP A 119 60.814 9.159 7.353 1.00 0.13 H new ATOM 0 HB3 ASP A 119 59.644 8.110 6.578 1.00 0.13 H new ATOM 359 N ALA A 120 62.532 8.784 5.230 1.00 0.08 N ATOM 360 CA ALA A 120 62.934 9.242 3.904 1.00 0.07 C ATOM 361 C ALA A 120 63.946 8.282 3.291 1.00 0.06 C ATOM 362 O ALA A 120 63.863 7.958 2.105 1.00 0.06 O ATOM 363 CB ALA A 120 63.537 10.645 3.984 1.00 0.07 C ATOM 0 H ALA A 120 62.701 9.452 5.982 1.00 0.08 H new ATOM 0 HA ALA A 120 62.047 9.272 3.271 1.00 0.07 H new ATOM 0 HB1 ALA A 120 63.832 10.972 2.987 1.00 0.07 H new ATOM 0 HB2 ALA A 120 62.798 11.336 4.389 1.00 0.07 H new ATOM 0 HB3 ALA A 120 64.412 10.628 4.634 1.00 0.07 H new ATOM 369 N GLN A 121 64.880 7.795 4.106 1.00 0.07 N ATOM 370 CA GLN A 121 65.903 6.881 3.600 1.00 0.07 C ATOM 371 C GLN A 121 65.238 5.636 3.025 1.00 0.07 C ATOM 372 O GLN A 121 65.511 5.245 1.895 1.00 0.06 O ATOM 373 CB GLN A 121 66.908 6.448 4.684 1.00 0.08 C ATOM 374 CG GLN A 121 67.308 7.592 5.632 1.00 0.09 C ATOM 375 CD GLN A 121 67.684 8.867 4.879 1.00 0.09 C ATOM 376 OE1 GLN A 121 68.670 8.892 4.144 1.00 0.10 O ATOM 377 NE2 GLN A 121 66.937 9.930 5.018 1.00 0.09 N ATOM 0 H GLN A 121 64.950 8.012 5.100 1.00 0.07 H new ATOM 0 HA GLN A 121 66.456 7.421 2.831 1.00 0.07 H new ATOM 0 HB2 GLN A 121 66.475 5.636 5.268 1.00 0.08 H new ATOM 0 HB3 GLN A 121 67.803 6.053 4.203 1.00 0.08 H new ATOM 0 HG2 GLN A 121 66.482 7.804 6.310 1.00 0.09 H new ATOM 0 HG3 GLN A 121 68.151 7.274 6.246 1.00 0.09 H new ATOM 0 HE21 GLN A 121 66.121 9.903 5.629 1.00 0.09 H new ATOM 0 HE22 GLN A 121 67.170 10.786 4.516 1.00 0.09 H new ATOM 386 N ALA A 122 64.299 5.066 3.778 1.00 0.08 N ATOM 387 CA ALA A 122 63.651 3.818 3.379 1.00 0.09 C ATOM 388 C ALA A 122 63.056 3.949 1.983 1.00 0.08 C ATOM 389 O ALA A 122 63.269 3.094 1.123 1.00 0.09 O ATOM 390 CB ALA A 122 62.546 3.460 4.375 1.00 0.10 C ATOM 0 H ALA A 122 63.971 5.447 4.665 1.00 0.08 H new ATOM 0 HA ALA A 122 64.401 3.027 3.371 1.00 0.09 H new ATOM 0 HB1 ALA A 122 62.069 2.529 4.070 1.00 0.10 H new ATOM 0 HB2 ALA A 122 62.977 3.338 5.369 1.00 0.10 H new ATOM 0 HB3 ALA A 122 61.804 4.258 4.397 1.00 0.10 H new ATOM 396 N ALA A 123 62.360 5.054 1.752 1.00 0.08 N ATOM 397 CA ALA A 123 61.732 5.277 0.455 1.00 0.08 C ATOM 398 C ALA A 123 62.785 5.282 -0.649 1.00 0.08 C ATOM 399 O ALA A 123 62.612 4.644 -1.687 1.00 0.09 O ATOM 400 CB ALA A 123 60.977 6.608 0.456 1.00 0.09 C ATOM 0 H ALA A 123 62.217 5.800 2.433 1.00 0.08 H new ATOM 0 HA ALA A 123 61.027 4.467 0.268 1.00 0.08 H new ATOM 0 HB1 ALA A 123 60.512 6.763 -0.518 1.00 0.09 H new ATOM 0 HB2 ALA A 123 60.207 6.589 1.227 1.00 0.09 H new ATOM 0 HB3 ALA A 123 61.674 7.421 0.660 1.00 0.09 H new ATOM 406 N PHE A 124 63.887 5.986 -0.413 1.00 0.07 N ATOM 407 CA PHE A 124 64.946 6.080 -1.413 1.00 0.07 C ATOM 408 C PHE A 124 65.494 4.697 -1.756 1.00 0.07 C ATOM 409 O PHE A 124 65.696 4.372 -2.925 1.00 0.08 O ATOM 410 CB PHE A 124 66.082 6.970 -0.905 1.00 0.07 C ATOM 411 CG PHE A 124 67.114 7.285 -1.964 1.00 0.07 C ATOM 412 CD1 PHE A 124 66.706 7.665 -3.249 1.00 0.09 C ATOM 413 CD2 PHE A 124 68.478 7.196 -1.663 1.00 0.08 C ATOM 414 CE1 PHE A 124 67.660 7.954 -4.232 1.00 0.10 C ATOM 415 CE2 PHE A 124 69.433 7.486 -2.645 1.00 0.08 C ATOM 416 CZ PHE A 124 69.024 7.865 -3.929 1.00 0.09 C ATOM 0 H PHE A 124 64.070 6.495 0.452 1.00 0.07 H new ATOM 0 HA PHE A 124 64.519 6.521 -2.313 1.00 0.07 H new ATOM 0 HB2 PHE A 124 65.663 7.903 -0.527 1.00 0.07 H new ATOM 0 HB3 PHE A 124 66.572 6.478 -0.065 1.00 0.07 H new ATOM 0 HD1 PHE A 124 65.654 7.735 -3.482 1.00 0.09 H new ATOM 0 HD2 PHE A 124 68.794 6.903 -0.673 1.00 0.08 H new ATOM 0 HE1 PHE A 124 67.344 8.245 -5.223 1.00 0.10 H new ATOM 0 HE2 PHE A 124 70.485 7.417 -2.412 1.00 0.08 H new ATOM 0 HZ PHE A 124 69.761 8.089 -4.686 1.00 0.09 H new ATOM 426 N TYR A 125 65.712 3.874 -0.736 1.00 0.07 N ATOM 427 CA TYR A 125 66.255 2.534 -0.948 1.00 0.08 C ATOM 428 C TYR A 125 65.354 1.747 -1.898 1.00 0.08 C ATOM 429 O TYR A 125 65.818 1.124 -2.852 1.00 0.09 O ATOM 430 CB TYR A 125 66.360 1.780 0.383 1.00 0.08 C ATOM 431 CG TYR A 125 67.468 2.254 1.300 1.00 0.08 C ATOM 432 CD1 TYR A 125 68.800 1.910 1.041 1.00 0.08 C ATOM 433 CD2 TYR A 125 67.160 3.024 2.427 1.00 0.08 C ATOM 434 CE1 TYR A 125 69.818 2.341 1.906 1.00 0.09 C ATOM 435 CE2 TYR A 125 68.173 3.456 3.289 1.00 0.09 C ATOM 436 CZ TYR A 125 69.503 3.116 3.033 1.00 0.09 C ATOM 437 OH TYR A 125 70.502 3.542 3.889 1.00 0.10 O ATOM 0 H TYR A 125 65.523 4.107 0.239 1.00 0.07 H new ATOM 0 HA TYR A 125 67.249 2.634 -1.384 1.00 0.08 H new ATOM 0 HB2 TYR A 125 65.410 1.869 0.910 1.00 0.08 H new ATOM 0 HB3 TYR A 125 66.510 0.721 0.173 1.00 0.08 H new ATOM 0 HD1 TYR A 125 69.045 1.313 0.175 1.00 0.08 H new ATOM 0 HD2 TYR A 125 66.133 3.287 2.633 1.00 0.08 H new ATOM 0 HE1 TYR A 125 70.845 2.076 1.704 1.00 0.09 H new ATOM 0 HE2 TYR A 125 67.926 4.054 4.154 1.00 0.09 H new ATOM 0 HH TYR A 125 70.108 4.068 4.616 1.00 0.10 H new ATOM 447 N LYS A 126 64.052 1.811 -1.643 1.00 0.09 N ATOM 448 CA LYS A 126 63.086 1.086 -2.460 1.00 0.10 C ATOM 449 C LYS A 126 63.177 1.522 -3.916 1.00 0.11 C ATOM 450 O LYS A 126 63.214 0.694 -4.824 1.00 0.11 O ATOM 451 CB LYS A 126 61.672 1.349 -1.934 1.00 0.11 C ATOM 452 CG LYS A 126 61.534 0.806 -0.504 1.00 0.16 C ATOM 453 CD LYS A 126 60.090 0.379 -0.239 1.00 0.16 C ATOM 454 CE LYS A 126 59.968 -0.155 1.189 1.00 0.89 C ATOM 455 NZ LYS A 126 58.590 -0.675 1.409 1.00 1.62 N ATOM 0 H LYS A 126 63.643 2.354 -0.882 1.00 0.09 H new ATOM 0 HA LYS A 126 63.310 0.021 -2.401 1.00 0.10 H new ATOM 0 HB2 LYS A 126 61.463 2.419 -1.947 1.00 0.11 H new ATOM 0 HB3 LYS A 126 60.939 0.873 -2.585 1.00 0.11 H new ATOM 0 HG2 LYS A 126 62.204 -0.042 -0.363 1.00 0.16 H new ATOM 0 HG3 LYS A 126 61.833 1.570 0.214 1.00 0.16 H new ATOM 0 HD2 LYS A 126 59.418 1.225 -0.380 1.00 0.16 H new ATOM 0 HD3 LYS A 126 59.790 -0.389 -0.952 1.00 0.16 H new ATOM 0 HE2 LYS A 126 60.698 -0.947 1.356 1.00 0.89 H new ATOM 0 HE3 LYS A 126 60.188 0.637 1.905 1.00 0.89 H new ATOM 0 HZ1 LYS A 126 58.507 -1.038 2.380 1.00 1.62 H new ATOM 0 HZ2 LYS A 126 57.903 0.092 1.266 1.00 1.62 H new ATOM 0 HZ3 LYS A 126 58.397 -1.443 0.735 1.00 1.62 H new ATOM 469 N LEU A 127 63.231 2.830 -4.130 1.00 0.11 N ATOM 470 CA LEU A 127 63.281 3.369 -5.483 1.00 0.12 C ATOM 471 C LEU A 127 64.489 2.822 -6.233 1.00 0.11 C ATOM 472 O LEU A 127 64.382 2.414 -7.389 1.00 0.12 O ATOM 473 CB LEU A 127 63.355 4.894 -5.435 1.00 0.13 C ATOM 474 CG LEU A 127 62.100 5.443 -4.756 1.00 0.28 C ATOM 475 CD1 LEU A 127 62.329 6.905 -4.371 1.00 0.31 C ATOM 476 CD2 LEU A 127 60.917 5.350 -5.721 1.00 0.46 C ATOM 0 H LEU A 127 63.241 3.533 -3.391 1.00 0.11 H new ATOM 0 HA LEU A 127 62.375 3.067 -6.008 1.00 0.12 H new ATOM 0 HB2 LEU A 127 64.244 5.209 -4.889 1.00 0.13 H new ATOM 0 HB3 LEU A 127 63.441 5.297 -6.444 1.00 0.13 H new ATOM 0 HG LEU A 127 61.886 4.860 -3.861 1.00 0.28 H new ATOM 0 HD11 LEU A 127 61.435 7.298 -3.887 1.00 0.31 H new ATOM 0 HD12 LEU A 127 63.173 6.973 -3.685 1.00 0.31 H new ATOM 0 HD13 LEU A 127 62.542 7.488 -5.267 1.00 0.31 H new ATOM 0 HD21 LEU A 127 60.022 5.741 -5.238 1.00 0.46 H new ATOM 0 HD22 LEU A 127 61.131 5.934 -6.616 1.00 0.46 H new ATOM 0 HD23 LEU A 127 60.754 4.308 -5.998 1.00 0.46 H new ATOM 488 N LEU A 128 65.634 2.790 -5.560 1.00 0.11 N ATOM 489 CA LEU A 128 66.865 2.350 -6.204 1.00 0.11 C ATOM 490 C LEU A 128 66.744 0.910 -6.685 1.00 0.11 C ATOM 491 O LEU A 128 67.203 0.581 -7.779 1.00 0.11 O ATOM 492 CB LEU A 128 68.046 2.475 -5.236 1.00 0.10 C ATOM 493 CG LEU A 128 68.573 3.911 -5.246 1.00 0.10 C ATOM 494 CD1 LEU A 128 69.484 4.130 -4.037 1.00 0.10 C ATOM 495 CD2 LEU A 128 69.369 4.153 -6.532 1.00 0.10 C ATOM 0 H LEU A 128 65.735 3.060 -4.582 1.00 0.11 H new ATOM 0 HA LEU A 128 67.040 2.991 -7.068 1.00 0.11 H new ATOM 0 HB2 LEU A 128 67.733 2.199 -4.229 1.00 0.10 H new ATOM 0 HB3 LEU A 128 68.839 1.785 -5.524 1.00 0.10 H new ATOM 0 HG LEU A 128 67.734 4.605 -5.200 1.00 0.10 H new ATOM 0 HD11 LEU A 128 69.859 5.153 -4.045 1.00 0.10 H new ATOM 0 HD12 LEU A 128 68.920 3.957 -3.120 1.00 0.10 H new ATOM 0 HD13 LEU A 128 70.323 3.436 -4.083 1.00 0.10 H new ATOM 0 HD21 LEU A 128 69.745 5.176 -6.540 1.00 0.10 H new ATOM 0 HD22 LEU A 128 70.207 3.458 -6.577 1.00 0.10 H new ATOM 0 HD23 LEU A 128 68.722 3.997 -7.395 1.00 0.10 H new ATOM 507 N LEU A 129 66.139 0.051 -5.870 1.00 0.11 N ATOM 508 CA LEU A 129 65.977 -1.349 -6.256 1.00 0.11 C ATOM 509 C LEU A 129 65.072 -1.468 -7.479 1.00 0.12 C ATOM 510 O LEU A 129 65.411 -2.144 -8.448 1.00 0.13 O ATOM 511 CB LEU A 129 65.382 -2.156 -5.099 1.00 0.12 C ATOM 512 CG LEU A 129 66.499 -2.620 -4.160 1.00 0.13 C ATOM 513 CD1 LEU A 129 65.892 -3.067 -2.830 1.00 0.17 C ATOM 514 CD2 LEU A 129 67.245 -3.793 -4.800 1.00 0.17 C ATOM 0 H LEU A 129 65.759 0.292 -4.955 1.00 0.11 H new ATOM 0 HA LEU A 129 66.961 -1.748 -6.503 1.00 0.11 H new ATOM 0 HB2 LEU A 129 64.663 -1.547 -4.551 1.00 0.12 H new ATOM 0 HB3 LEU A 129 64.839 -3.018 -5.487 1.00 0.12 H new ATOM 0 HG LEU A 129 67.194 -1.798 -3.985 1.00 0.13 H new ATOM 0 HD11 LEU A 129 66.686 -3.398 -2.160 1.00 0.17 H new ATOM 0 HD12 LEU A 129 65.358 -2.233 -2.375 1.00 0.17 H new ATOM 0 HD13 LEU A 129 65.199 -3.890 -3.005 1.00 0.17 H new ATOM 0 HD21 LEU A 129 68.041 -4.125 -4.133 1.00 0.17 H new ATOM 0 HD22 LEU A 129 66.550 -4.615 -4.974 1.00 0.17 H new ATOM 0 HD23 LEU A 129 67.676 -3.476 -5.750 1.00 0.17 H new ATOM 526 N GLN A 130 63.952 -0.757 -7.458 1.00 0.13 N ATOM 527 CA GLN A 130 62.991 -0.834 -8.552 1.00 0.14 C ATOM 528 C GLN A 130 63.634 -0.428 -9.875 1.00 0.14 C ATOM 529 O GLN A 130 63.375 -1.037 -10.913 1.00 0.14 O ATOM 530 CB GLN A 130 61.797 0.080 -8.263 1.00 0.14 C ATOM 531 CG GLN A 130 61.052 -0.428 -7.027 1.00 0.97 C ATOM 532 CD GLN A 130 59.908 0.519 -6.672 1.00 1.18 C ATOM 533 OE1 GLN A 130 59.922 1.690 -7.053 1.00 1.43 O ATOM 534 NE2 GLN A 130 58.909 0.077 -5.957 1.00 1.82 N ATOM 0 H GLN A 130 63.687 -0.125 -6.702 1.00 0.13 H new ATOM 0 HA GLN A 130 62.652 -1.867 -8.633 1.00 0.14 H new ATOM 0 HB2 GLN A 130 62.139 1.102 -8.100 1.00 0.14 H new ATOM 0 HB3 GLN A 130 61.126 0.102 -9.122 1.00 0.14 H new ATOM 0 HG2 GLN A 130 60.661 -1.428 -7.215 1.00 0.97 H new ATOM 0 HG3 GLN A 130 61.741 -0.508 -6.186 1.00 0.97 H new ATOM 0 HE21 GLN A 130 58.897 -0.893 -5.641 1.00 1.82 H new ATOM 0 HE22 GLN A 130 58.140 0.702 -5.714 1.00 1.82 H new ATOM 543 N SER A 131 64.472 0.602 -9.833 1.00 0.13 N ATOM 544 CA SER A 131 65.090 1.122 -11.051 1.00 0.13 C ATOM 545 C SER A 131 66.376 0.382 -11.440 1.00 0.13 C ATOM 546 O SER A 131 67.153 0.891 -12.247 1.00 0.13 O ATOM 547 CB SER A 131 65.400 2.608 -10.867 1.00 0.13 C ATOM 548 OG SER A 131 64.181 3.330 -10.763 1.00 0.13 O ATOM 0 H SER A 131 64.738 1.091 -8.978 1.00 0.13 H new ATOM 0 HA SER A 131 64.376 0.968 -11.860 1.00 0.13 H new ATOM 0 HB2 SER A 131 66.003 2.758 -9.971 1.00 0.13 H new ATOM 0 HB3 SER A 131 65.984 2.977 -11.710 1.00 0.13 H new ATOM 0 HG SER A 131 64.071 3.655 -9.845 1.00 0.13 H new ATOM 554 N ASN A 132 66.611 -0.805 -10.878 1.00 0.13 N ATOM 555 CA ASN A 132 67.774 -1.603 -11.252 1.00 0.13 C ATOM 556 C ASN A 132 69.070 -0.861 -10.920 1.00 0.13 C ATOM 557 O ASN A 132 69.966 -0.725 -11.755 1.00 0.13 O ATOM 558 CB ASN A 132 67.717 -1.946 -12.745 1.00 0.15 C ATOM 559 CG ASN A 132 66.401 -2.643 -13.073 1.00 1.23 C ATOM 560 OD1 ASN A 132 65.739 -2.292 -14.050 1.00 2.10 O ATOM 561 ND2 ASN A 132 65.980 -3.615 -12.312 1.00 1.90 N ATOM 0 H ASN A 132 66.015 -1.230 -10.168 1.00 0.13 H new ATOM 0 HA ASN A 132 67.759 -2.530 -10.678 1.00 0.13 H new ATOM 0 HB2 ASN A 132 67.814 -1.037 -13.339 1.00 0.15 H new ATOM 0 HB3 ASN A 132 68.555 -2.591 -13.010 1.00 0.15 H new ATOM 0 HD21 ASN A 132 65.101 -4.086 -12.526 1.00 1.90 H new ATOM 0 HD22 ASN A 132 66.530 -3.904 -11.503 1.00 1.90 H new ATOM 568 N TYR A 133 69.167 -0.384 -9.682 1.00 0.12 N ATOM 569 CA TYR A 133 70.373 0.306 -9.222 1.00 0.11 C ATOM 570 C TYR A 133 70.942 -0.346 -7.948 1.00 0.11 C ATOM 571 O TYR A 133 71.324 0.354 -7.002 1.00 0.10 O ATOM 572 CB TYR A 133 70.031 1.775 -8.944 1.00 0.11 C ATOM 573 CG TYR A 133 69.916 2.634 -10.181 1.00 0.11 C ATOM 574 CD1 TYR A 133 71.048 3.285 -10.685 1.00 0.12 C ATOM 575 CD2 TYR A 133 68.678 2.792 -10.812 1.00 0.12 C ATOM 576 CE1 TYR A 133 70.942 4.091 -11.824 1.00 0.12 C ATOM 577 CE2 TYR A 133 68.570 3.600 -11.951 1.00 0.13 C ATOM 578 CZ TYR A 133 69.703 4.248 -12.458 1.00 0.13 C ATOM 579 OH TYR A 133 69.598 5.045 -13.580 1.00 0.15 O ATOM 0 H TYR A 133 68.430 -0.461 -8.981 1.00 0.12 H new ATOM 0 HA TYR A 133 71.133 0.235 -10.000 1.00 0.11 H new ATOM 0 HB2 TYR A 133 69.089 1.819 -8.397 1.00 0.11 H new ATOM 0 HB3 TYR A 133 70.797 2.197 -8.293 1.00 0.11 H new ATOM 0 HD1 TYR A 133 72.003 3.165 -10.195 1.00 0.12 H new ATOM 0 HD2 TYR A 133 67.805 2.291 -10.421 1.00 0.12 H new ATOM 0 HE1 TYR A 133 71.816 4.592 -12.214 1.00 0.12 H new ATOM 0 HE2 TYR A 133 67.614 3.723 -12.438 1.00 0.13 H new ATOM 0 HH TYR A 133 68.670 5.045 -13.896 1.00 0.15 H new ATOM 589 N PRO A 134 71.109 -1.655 -7.918 1.00 0.11 N ATOM 590 CA PRO A 134 71.559 -2.350 -6.670 1.00 0.12 C ATOM 591 C PRO A 134 72.896 -1.805 -6.172 1.00 0.11 C ATOM 592 O PRO A 134 73.098 -1.623 -4.971 1.00 0.11 O ATOM 593 CB PRO A 134 71.669 -3.828 -7.063 1.00 0.13 C ATOM 594 CG PRO A 134 71.753 -3.840 -8.551 1.00 0.13 C ATOM 595 CD PRO A 134 70.983 -2.613 -9.032 1.00 0.12 C ATOM 0 HA PRO A 134 70.862 -2.196 -5.847 1.00 0.12 H new ATOM 0 HB2 PRO A 134 72.551 -4.288 -6.617 1.00 0.13 H new ATOM 0 HB3 PRO A 134 70.804 -4.392 -6.714 1.00 0.13 H new ATOM 0 HG2 PRO A 134 72.791 -3.803 -8.882 1.00 0.13 H new ATOM 0 HG3 PRO A 134 71.321 -4.754 -8.958 1.00 0.13 H new ATOM 0 HD2 PRO A 134 71.406 -2.212 -9.953 1.00 0.12 H new ATOM 0 HD3 PRO A 134 69.939 -2.852 -9.237 1.00 0.12 H new ATOM 603 N GLN A 135 73.799 -1.519 -7.104 1.00 0.12 N ATOM 604 CA GLN A 135 75.114 -0.994 -6.742 1.00 0.12 C ATOM 605 C GLN A 135 74.984 0.278 -5.904 1.00 0.11 C ATOM 606 O GLN A 135 75.736 0.480 -4.950 1.00 0.12 O ATOM 607 CB GLN A 135 75.920 -0.692 -8.007 1.00 0.13 C ATOM 608 CG GLN A 135 77.357 -0.326 -7.623 1.00 1.24 C ATOM 609 CD GLN A 135 78.206 -0.071 -8.868 1.00 1.38 C ATOM 610 OE1 GLN A 135 77.786 -0.353 -9.992 1.00 1.20 O ATOM 611 NE2 GLN A 135 79.393 0.455 -8.732 1.00 2.08 N ATOM 0 H GLN A 135 73.649 -1.640 -8.106 1.00 0.12 H new ATOM 0 HA GLN A 135 75.630 -1.749 -6.149 1.00 0.12 H new ATOM 0 HB2 GLN A 135 75.919 -1.559 -8.667 1.00 0.13 H new ATOM 0 HB3 GLN A 135 75.459 0.128 -8.557 1.00 0.13 H new ATOM 0 HG2 GLN A 135 77.354 0.563 -6.992 1.00 1.24 H new ATOM 0 HG3 GLN A 135 77.798 -1.132 -7.036 1.00 1.24 H new ATOM 0 HE21 GLN A 135 79.744 0.690 -7.803 1.00 2.08 H new ATOM 0 HE22 GLN A 135 79.970 0.631 -9.554 1.00 2.08 H new ATOM 620 N TYR A 136 74.006 1.116 -6.236 1.00 0.11 N ATOM 621 CA TYR A 136 73.808 2.368 -5.514 1.00 0.10 C ATOM 622 C TYR A 136 73.338 2.080 -4.093 1.00 0.10 C ATOM 623 O TYR A 136 73.819 2.679 -3.134 1.00 0.10 O ATOM 624 CB TYR A 136 72.770 3.232 -6.235 1.00 0.10 C ATOM 625 CG TYR A 136 73.341 4.039 -7.376 1.00 0.14 C ATOM 626 CD1 TYR A 136 74.224 3.442 -8.284 1.00 0.21 C ATOM 627 CD2 TYR A 136 72.987 5.385 -7.525 1.00 0.19 C ATOM 628 CE1 TYR A 136 74.753 4.191 -9.342 1.00 0.24 C ATOM 629 CE2 TYR A 136 73.516 6.134 -8.583 1.00 0.23 C ATOM 630 CZ TYR A 136 74.398 5.538 -9.492 1.00 0.22 C ATOM 631 OH TYR A 136 74.919 6.276 -10.535 1.00 0.27 O ATOM 0 H TYR A 136 73.343 0.953 -6.994 1.00 0.11 H new ATOM 0 HA TYR A 136 74.755 2.906 -5.477 1.00 0.10 H new ATOM 0 HB2 TYR A 136 71.977 2.589 -6.617 1.00 0.10 H new ATOM 0 HB3 TYR A 136 72.311 3.910 -5.515 1.00 0.10 H new ATOM 0 HD1 TYR A 136 74.497 2.404 -8.168 1.00 0.21 H new ATOM 0 HD2 TYR A 136 72.306 5.845 -6.824 1.00 0.19 H new ATOM 0 HE1 TYR A 136 75.434 3.731 -10.042 1.00 0.24 H new ATOM 0 HE2 TYR A 136 73.243 7.173 -8.698 1.00 0.23 H new ATOM 0 HH TYR A 136 74.570 7.191 -10.494 1.00 0.27 H new ATOM 641 N VAL A 137 72.414 1.130 -3.964 1.00 0.10 N ATOM 642 CA VAL A 137 71.879 0.759 -2.657 1.00 0.10 C ATOM 643 C VAL A 137 73.014 0.367 -1.711 1.00 0.11 C ATOM 644 O VAL A 137 73.023 0.755 -0.546 1.00 0.12 O ATOM 645 CB VAL A 137 70.894 -0.409 -2.813 1.00 0.11 C ATOM 646 CG1 VAL A 137 70.295 -0.797 -1.457 1.00 0.13 C ATOM 647 CG2 VAL A 137 69.758 0.009 -3.750 1.00 0.11 C ATOM 0 H VAL A 137 72.022 0.605 -4.746 1.00 0.10 H new ATOM 0 HA VAL A 137 71.354 1.615 -2.233 1.00 0.10 H new ATOM 0 HB VAL A 137 71.432 -1.264 -3.223 1.00 0.11 H new ATOM 0 HG11 VAL A 137 69.600 -1.626 -1.590 1.00 0.13 H new ATOM 0 HG12 VAL A 137 71.094 -1.098 -0.779 1.00 0.13 H new ATOM 0 HG13 VAL A 137 69.765 0.057 -1.036 1.00 0.13 H new ATOM 0 HG21 VAL A 137 69.057 -0.818 -3.863 1.00 0.11 H new ATOM 0 HG22 VAL A 137 69.239 0.871 -3.330 1.00 0.11 H new ATOM 0 HG23 VAL A 137 70.169 0.272 -4.725 1.00 0.11 H new ATOM 657 N VAL A 138 73.981 -0.378 -2.231 1.00 0.12 N ATOM 658 CA VAL A 138 75.089 -0.852 -1.408 1.00 0.15 C ATOM 659 C VAL A 138 75.957 0.317 -0.947 1.00 0.15 C ATOM 660 O VAL A 138 76.166 0.510 0.251 1.00 0.16 O ATOM 661 CB VAL A 138 75.932 -1.864 -2.198 1.00 0.17 C ATOM 662 CG1 VAL A 138 77.080 -2.402 -1.334 1.00 0.21 C ATOM 663 CG2 VAL A 138 75.041 -3.031 -2.637 1.00 0.17 C ATOM 0 H VAL A 138 74.022 -0.665 -3.209 1.00 0.12 H new ATOM 0 HA VAL A 138 74.682 -1.343 -0.524 1.00 0.15 H new ATOM 0 HB VAL A 138 76.353 -1.364 -3.070 1.00 0.17 H new ATOM 0 HG11 VAL A 138 77.666 -3.117 -1.911 1.00 0.21 H new ATOM 0 HG12 VAL A 138 77.720 -1.576 -1.024 1.00 0.21 H new ATOM 0 HG13 VAL A 138 76.671 -2.895 -0.452 1.00 0.21 H new ATOM 0 HG21 VAL A 138 75.636 -3.752 -3.198 1.00 0.17 H new ATOM 0 HG22 VAL A 138 74.618 -3.516 -1.758 1.00 0.17 H new ATOM 0 HG23 VAL A 138 74.235 -2.656 -3.268 1.00 0.17 H new ATOM 673 N SER A 139 76.434 1.115 -1.896 1.00 0.14 N ATOM 674 CA SER A 139 77.348 2.207 -1.572 1.00 0.16 C ATOM 675 C SER A 139 76.753 3.131 -0.510 1.00 0.15 C ATOM 676 O SER A 139 77.455 3.610 0.379 1.00 0.17 O ATOM 677 CB SER A 139 77.661 3.015 -2.832 1.00 0.16 C ATOM 678 OG SER A 139 76.483 3.687 -3.259 1.00 1.23 O ATOM 0 H SER A 139 76.207 1.029 -2.887 1.00 0.14 H new ATOM 0 HA SER A 139 78.265 1.771 -1.175 1.00 0.16 H new ATOM 0 HB2 SER A 139 78.453 3.736 -2.629 1.00 0.16 H new ATOM 0 HB3 SER A 139 78.025 2.356 -3.620 1.00 0.16 H new ATOM 0 HG SER A 139 75.704 3.113 -3.103 1.00 1.23 H new ATOM 684 N ARG A 140 75.451 3.374 -0.617 1.00 0.13 N ATOM 685 CA ARG A 140 74.760 4.261 0.311 1.00 0.12 C ATOM 686 C ARG A 140 74.584 3.618 1.682 1.00 0.12 C ATOM 687 O ARG A 140 74.948 4.211 2.695 1.00 0.13 O ATOM 688 CB ARG A 140 73.394 4.632 -0.271 1.00 0.12 C ATOM 689 CG ARG A 140 72.829 5.855 0.450 1.00 0.16 C ATOM 690 CD ARG A 140 71.547 6.300 -0.255 1.00 0.23 C ATOM 691 NE ARG A 140 71.050 7.552 0.320 1.00 0.28 N ATOM 692 CZ ARG A 140 70.149 7.610 1.312 1.00 0.24 C ATOM 693 NH1 ARG A 140 69.663 6.534 1.884 1.00 0.71 N ATOM 694 NH2 ARG A 140 69.751 8.780 1.729 1.00 0.20 N ATOM 0 H ARG A 140 74.853 2.969 -1.337 1.00 0.13 H new ATOM 0 HA ARG A 140 75.367 5.156 0.445 1.00 0.12 H new ATOM 0 HB2 ARG A 140 73.489 4.840 -1.337 1.00 0.12 H new ATOM 0 HB3 ARG A 140 72.707 3.792 -0.170 1.00 0.12 H new ATOM 0 HG2 ARG A 140 72.621 5.615 1.493 1.00 0.16 H new ATOM 0 HG3 ARG A 140 73.560 6.664 0.449 1.00 0.16 H new ATOM 0 HD2 ARG A 140 71.739 6.433 -1.320 1.00 0.23 H new ATOM 0 HD3 ARG A 140 70.787 5.524 -0.163 1.00 0.23 H new ATOM 0 HE ARG A 140 71.409 8.430 -0.055 1.00 0.28 H new ATOM 0 HH11 ARG A 140 69.969 5.611 1.577 1.00 0.71 H new ATOM 0 HH12 ARG A 140 68.979 6.621 2.636 1.00 0.71 H new ATOM 0 HH21 ARG A 140 70.124 9.628 1.302 1.00 0.20 H new ATOM 0 HH22 ARG A 140 69.066 8.847 2.482 1.00 0.20 H new ATOM 708 N PHE A 141 74.066 2.394 1.717 1.00 0.13 N ATOM 709 CA PHE A 141 73.800 1.727 2.989 1.00 0.14 C ATOM 710 C PHE A 141 75.062 1.625 3.846 1.00 0.16 C ATOM 711 O PHE A 141 74.990 1.684 5.074 1.00 0.17 O ATOM 712 CB PHE A 141 73.238 0.327 2.732 1.00 0.14 C ATOM 713 CG PHE A 141 72.821 -0.391 3.995 1.00 0.15 C ATOM 714 CD1 PHE A 141 71.522 -0.231 4.492 1.00 0.15 C ATOM 715 CD2 PHE A 141 73.732 -1.213 4.667 1.00 0.19 C ATOM 716 CE1 PHE A 141 71.135 -0.893 5.663 1.00 0.17 C ATOM 717 CE2 PHE A 141 73.345 -1.876 5.838 1.00 0.20 C ATOM 718 CZ PHE A 141 72.046 -1.716 6.335 1.00 0.18 C ATOM 0 H PHE A 141 73.824 1.848 0.890 1.00 0.13 H new ATOM 0 HA PHE A 141 73.070 2.325 3.534 1.00 0.14 H new ATOM 0 HB2 PHE A 141 72.379 0.405 2.066 1.00 0.14 H new ATOM 0 HB3 PHE A 141 73.990 -0.269 2.215 1.00 0.14 H new ATOM 0 HD1 PHE A 141 70.819 0.403 3.972 1.00 0.15 H new ATOM 0 HD2 PHE A 141 74.734 -1.336 4.283 1.00 0.19 H new ATOM 0 HE1 PHE A 141 70.134 -0.769 6.048 1.00 0.17 H new ATOM 0 HE2 PHE A 141 74.048 -2.510 6.357 1.00 0.20 H new ATOM 0 HZ PHE A 141 71.747 -2.228 7.238 1.00 0.18 H new ATOM 728 N GLU A 142 76.214 1.472 3.199 1.00 0.16 N ATOM 729 CA GLU A 142 77.475 1.302 3.920 1.00 0.19 C ATOM 730 C GLU A 142 78.027 2.610 4.502 1.00 0.19 C ATOM 731 O GLU A 142 79.001 2.572 5.252 1.00 0.21 O ATOM 732 CB GLU A 142 78.520 0.692 2.985 1.00 0.21 C ATOM 733 CG GLU A 142 78.074 -0.710 2.566 1.00 0.23 C ATOM 734 CD GLU A 142 79.162 -1.375 1.729 1.00 0.88 C ATOM 735 OE1 GLU A 142 79.298 -1.013 0.573 1.00 1.53 O ATOM 736 OE2 GLU A 142 79.843 -2.239 2.257 1.00 1.62 O ATOM 0 H GLU A 142 76.302 1.462 2.183 1.00 0.16 H new ATOM 0 HA GLU A 142 77.265 0.641 4.761 1.00 0.19 H new ATOM 0 HB2 GLU A 142 78.648 1.322 2.105 1.00 0.21 H new ATOM 0 HB3 GLU A 142 79.487 0.643 3.486 1.00 0.21 H new ATOM 0 HG2 GLU A 142 77.864 -1.313 3.449 1.00 0.23 H new ATOM 0 HG3 GLU A 142 77.149 -0.650 1.993 1.00 0.23 H new ATOM 743 N THR A 143 77.433 3.758 4.165 1.00 0.17 N ATOM 744 CA THR A 143 77.891 5.033 4.710 1.00 0.17 C ATOM 745 C THR A 143 77.250 5.283 6.083 1.00 0.17 C ATOM 746 O THR A 143 76.065 5.619 6.131 1.00 0.16 O ATOM 747 CB THR A 143 77.486 6.163 3.761 1.00 0.16 C ATOM 748 OG1 THR A 143 77.888 5.835 2.438 1.00 0.20 O ATOM 749 CG2 THR A 143 78.163 7.464 4.194 1.00 0.19 C ATOM 0 H THR A 143 76.643 3.828 3.524 1.00 0.17 H new ATOM 0 HA THR A 143 78.975 5.002 4.818 1.00 0.17 H new ATOM 0 HB THR A 143 76.404 6.292 3.791 1.00 0.16 H new ATOM 0 HG1 THR A 143 77.272 5.171 2.064 1.00 0.20 H new ATOM 0 HG21 THR A 143 77.873 8.268 3.517 1.00 0.19 H new ATOM 0 HG22 THR A 143 77.854 7.715 5.209 1.00 0.19 H new ATOM 0 HG23 THR A 143 79.245 7.338 4.166 1.00 0.19 H new ATOM 757 N PRO A 144 77.968 5.181 7.186 1.00 0.19 N ATOM 758 CA PRO A 144 77.333 5.295 8.542 1.00 0.19 C ATOM 759 C PRO A 144 76.589 6.616 8.761 1.00 0.18 C ATOM 760 O PRO A 144 75.797 6.735 9.696 1.00 0.18 O ATOM 761 CB PRO A 144 78.497 5.162 9.531 1.00 0.21 C ATOM 762 CG PRO A 144 79.609 4.540 8.761 1.00 0.22 C ATOM 763 CD PRO A 144 79.426 4.999 7.317 1.00 0.21 C ATOM 0 HA PRO A 144 76.569 4.528 8.668 1.00 0.19 H new ATOM 0 HB2 PRO A 144 78.790 6.135 9.925 1.00 0.21 H new ATOM 0 HB3 PRO A 144 78.218 4.544 10.384 1.00 0.21 H new ATOM 0 HG2 PRO A 144 80.577 4.854 9.151 1.00 0.22 H new ATOM 0 HG3 PRO A 144 79.574 3.453 8.833 1.00 0.22 H new ATOM 0 HD2 PRO A 144 79.964 5.927 7.121 1.00 0.21 H new ATOM 0 HD3 PRO A 144 79.801 4.258 6.611 1.00 0.21 H new ATOM 771 N GLY A 145 76.839 7.604 7.905 1.00 0.18 N ATOM 772 CA GLY A 145 76.225 8.920 8.067 1.00 0.18 C ATOM 773 C GLY A 145 74.721 8.916 7.783 1.00 0.16 C ATOM 774 O GLY A 145 73.999 9.792 8.259 1.00 0.16 O ATOM 0 H GLY A 145 77.457 7.520 7.098 1.00 0.18 H new ATOM 0 HA2 GLY A 145 76.396 9.272 9.084 1.00 0.18 H new ATOM 0 HA3 GLY A 145 76.714 9.628 7.398 1.00 0.18 H new ATOM 778 N ILE A 146 74.241 7.939 7.013 1.00 0.14 N ATOM 779 CA ILE A 146 72.836 7.905 6.621 1.00 0.13 C ATOM 780 C ILE A 146 72.057 6.937 7.509 1.00 0.13 C ATOM 781 O ILE A 146 72.556 5.875 7.883 1.00 0.14 O ATOM 782 CB ILE A 146 72.712 7.497 5.146 1.00 0.12 C ATOM 783 CG1 ILE A 146 73.510 8.476 4.276 1.00 0.12 C ATOM 784 CG2 ILE A 146 71.244 7.534 4.715 1.00 0.10 C ATOM 785 CD1 ILE A 146 73.601 7.944 2.845 1.00 0.12 C ATOM 0 H ILE A 146 74.801 7.167 6.652 1.00 0.14 H new ATOM 0 HA ILE A 146 72.413 8.902 6.747 1.00 0.13 H new ATOM 0 HB ILE A 146 73.102 6.486 5.024 1.00 0.12 H new ATOM 0 HG12 ILE A 146 73.030 9.454 4.280 1.00 0.12 H new ATOM 0 HG13 ILE A 146 74.510 8.610 4.688 1.00 0.12 H new ATOM 0 HG21 ILE A 146 71.165 7.243 3.667 1.00 0.10 H new ATOM 0 HG22 ILE A 146 70.667 6.842 5.328 1.00 0.10 H new ATOM 0 HG23 ILE A 146 70.853 8.543 4.842 1.00 0.10 H new ATOM 0 HD11 ILE A 146 74.169 8.644 2.232 1.00 0.12 H new ATOM 0 HD12 ILE A 146 74.101 6.976 2.848 1.00 0.12 H new ATOM 0 HD13 ILE A 146 72.598 7.833 2.434 1.00 0.12 H new ATOM 797 N ALA A 147 70.828 7.321 7.839 1.00 0.12 N ATOM 798 CA ALA A 147 69.985 6.529 8.726 1.00 0.13 C ATOM 799 C ALA A 147 69.650 5.168 8.121 1.00 0.12 C ATOM 800 O ALA A 147 69.701 4.973 6.902 1.00 0.11 O ATOM 801 CB ALA A 147 68.691 7.290 9.027 1.00 0.12 C ATOM 0 H ALA A 147 70.393 8.180 7.503 1.00 0.12 H new ATOM 0 HA ALA A 147 70.540 6.359 9.649 1.00 0.13 H new ATOM 0 HB1 ALA A 147 68.064 6.694 9.690 1.00 0.12 H new ATOM 0 HB2 ALA A 147 68.930 8.238 9.509 1.00 0.12 H new ATOM 0 HB3 ALA A 147 68.156 7.480 8.097 1.00 0.12 H new ATOM 807 N SER A 148 69.334 4.219 8.996 1.00 0.14 N ATOM 808 CA SER A 148 68.923 2.893 8.561 1.00 0.14 C ATOM 809 C SER A 148 67.795 2.367 9.443 1.00 0.15 C ATOM 810 O SER A 148 67.821 2.516 10.665 1.00 0.16 O ATOM 811 CB SER A 148 70.110 1.932 8.619 1.00 0.17 C ATOM 812 OG SER A 148 70.423 1.658 9.979 1.00 0.19 O ATOM 0 H SER A 148 69.355 4.345 10.008 1.00 0.14 H new ATOM 0 HA SER A 148 68.564 2.963 7.534 1.00 0.14 H new ATOM 0 HB2 SER A 148 69.870 1.007 8.095 1.00 0.17 H new ATOM 0 HB3 SER A 148 70.972 2.369 8.116 1.00 0.17 H new ATOM 0 HG SER A 148 71.183 1.041 10.022 1.00 0.19 H new ATOM 818 N SER A 149 66.807 1.750 8.806 1.00 0.15 N ATOM 819 CA SER A 149 65.683 1.148 9.515 1.00 0.16 C ATOM 820 C SER A 149 65.542 -0.317 9.099 1.00 0.16 C ATOM 821 O SER A 149 66.108 -0.713 8.080 1.00 0.15 O ATOM 822 CB SER A 149 64.402 1.909 9.171 1.00 0.18 C ATOM 823 OG SER A 149 64.067 1.669 7.810 1.00 0.38 O ATOM 0 H SER A 149 66.761 1.653 7.792 1.00 0.15 H new ATOM 0 HA SER A 149 65.857 1.200 10.590 1.00 0.16 H new ATOM 0 HB2 SER A 149 63.588 1.587 9.821 1.00 0.18 H new ATOM 0 HB3 SER A 149 64.542 2.977 9.341 1.00 0.18 H new ATOM 0 HG SER A 149 64.662 2.189 7.230 1.00 0.38 H new ATOM 829 N PRO A 150 64.824 -1.136 9.841 1.00 0.18 N ATOM 830 CA PRO A 150 64.631 -2.572 9.461 1.00 0.18 C ATOM 831 C PRO A 150 64.273 -2.739 7.984 1.00 0.17 C ATOM 832 O PRO A 150 64.849 -3.573 7.282 1.00 0.16 O ATOM 833 CB PRO A 150 63.487 -3.038 10.361 1.00 0.20 C ATOM 834 CG PRO A 150 63.588 -2.187 11.579 1.00 0.21 C ATOM 835 CD PRO A 150 64.138 -0.836 11.117 1.00 0.20 C ATOM 0 HA PRO A 150 65.543 -3.154 9.593 1.00 0.18 H new ATOM 0 HB2 PRO A 150 62.522 -2.913 9.870 1.00 0.20 H new ATOM 0 HB3 PRO A 150 63.584 -4.095 10.608 1.00 0.20 H new ATOM 0 HG2 PRO A 150 62.613 -2.068 12.052 1.00 0.21 H new ATOM 0 HG3 PRO A 150 64.247 -2.643 12.318 1.00 0.21 H new ATOM 0 HD2 PRO A 150 63.339 -0.108 10.977 1.00 0.20 H new ATOM 0 HD3 PRO A 150 64.827 -0.416 11.850 1.00 0.20 H new ATOM 843 N GLU A 151 63.341 -1.920 7.508 1.00 0.17 N ATOM 844 CA GLU A 151 62.951 -1.963 6.104 1.00 0.16 C ATOM 845 C GLU A 151 64.160 -1.710 5.210 1.00 0.15 C ATOM 846 O GLU A 151 64.369 -2.407 4.216 1.00 0.15 O ATOM 847 CB GLU A 151 61.877 -0.910 5.825 1.00 0.17 C ATOM 848 CG GLU A 151 60.616 -1.237 6.633 1.00 0.77 C ATOM 849 CD GLU A 151 59.482 -0.259 6.316 1.00 1.36 C ATOM 850 OE1 GLU A 151 59.755 0.823 5.819 1.00 2.02 O ATOM 851 OE2 GLU A 151 58.345 -0.605 6.594 1.00 2.04 O ATOM 0 H GLU A 151 62.846 -1.225 8.067 1.00 0.17 H new ATOM 0 HA GLU A 151 62.550 -2.953 5.886 1.00 0.16 H new ATOM 0 HB2 GLU A 151 62.246 0.080 6.092 1.00 0.17 H new ATOM 0 HB3 GLU A 151 61.644 -0.887 4.761 1.00 0.17 H new ATOM 0 HG2 GLU A 151 60.294 -2.255 6.412 1.00 0.77 H new ATOM 0 HG3 GLU A 151 60.844 -1.199 7.698 1.00 0.77 H new ATOM 858 N CYS A 152 64.975 -0.728 5.583 1.00 0.14 N ATOM 859 CA CYS A 152 66.157 -0.396 4.795 1.00 0.13 C ATOM 860 C CYS A 152 67.089 -1.599 4.695 1.00 0.13 C ATOM 861 O CYS A 152 67.636 -1.888 3.633 1.00 0.13 O ATOM 862 CB CYS A 152 66.909 0.774 5.429 1.00 0.13 C ATOM 863 SG CYS A 152 65.794 2.191 5.590 1.00 0.13 S ATOM 0 H CYS A 152 64.841 -0.154 6.416 1.00 0.14 H new ATOM 0 HA CYS A 152 65.828 -0.114 3.795 1.00 0.13 H new ATOM 0 HB2 CYS A 152 67.292 0.486 6.408 1.00 0.13 H new ATOM 0 HB3 CYS A 152 67.769 1.042 4.816 1.00 0.13 H new ATOM 0 HG CYS A 152 66.091 3.081 4.690 1.00 0.13 H new ATOM 869 N MET A 153 67.255 -2.309 5.805 1.00 0.14 N ATOM 870 CA MET A 153 68.155 -3.455 5.840 1.00 0.14 C ATOM 871 C MET A 153 67.740 -4.488 4.799 1.00 0.14 C ATOM 872 O MET A 153 68.569 -4.999 4.049 1.00 0.14 O ATOM 873 CB MET A 153 68.135 -4.094 7.233 1.00 0.16 C ATOM 874 CG MET A 153 68.682 -3.108 8.271 1.00 0.16 C ATOM 875 SD MET A 153 69.469 -4.028 9.617 1.00 0.19 S ATOM 876 CE MET A 153 70.899 -4.632 8.686 1.00 0.20 C ATOM 0 H MET A 153 66.782 -2.113 6.687 1.00 0.14 H new ATOM 0 HA MET A 153 69.164 -3.110 5.614 1.00 0.14 H new ATOM 0 HB2 MET A 153 67.117 -4.383 7.495 1.00 0.16 H new ATOM 0 HB3 MET A 153 68.735 -5.004 7.233 1.00 0.16 H new ATOM 0 HG2 MET A 153 69.402 -2.435 7.806 1.00 0.16 H new ATOM 0 HG3 MET A 153 67.874 -2.489 8.662 1.00 0.16 H new ATOM 0 HE1 MET A 153 70.835 -5.715 8.582 1.00 0.20 H new ATOM 0 HE2 MET A 153 70.910 -4.173 7.697 1.00 0.20 H new ATOM 0 HE3 MET A 153 71.815 -4.372 9.217 1.00 0.20 H new ATOM 886 N GLU A 154 66.444 -4.774 4.745 1.00 0.15 N ATOM 887 CA GLU A 154 65.933 -5.750 3.788 1.00 0.15 C ATOM 888 C GLU A 154 66.274 -5.323 2.364 1.00 0.14 C ATOM 889 O GLU A 154 66.745 -6.122 1.555 1.00 0.14 O ATOM 890 CB GLU A 154 64.416 -5.885 3.935 1.00 0.16 C ATOM 891 CG GLU A 154 64.088 -6.488 5.302 1.00 0.18 C ATOM 892 CD GLU A 154 62.588 -6.738 5.416 1.00 0.20 C ATOM 893 OE1 GLU A 154 61.860 -5.777 5.598 1.00 1.11 O ATOM 894 OE2 GLU A 154 62.190 -7.888 5.319 1.00 1.08 O ATOM 0 H GLU A 154 65.735 -4.351 5.344 1.00 0.15 H new ATOM 0 HA GLU A 154 66.401 -6.713 3.991 1.00 0.15 H new ATOM 0 HB2 GLU A 154 63.942 -4.909 3.833 1.00 0.16 H new ATOM 0 HB3 GLU A 154 64.018 -6.517 3.142 1.00 0.16 H new ATOM 0 HG2 GLU A 154 64.632 -7.423 5.436 1.00 0.18 H new ATOM 0 HG3 GLU A 154 64.414 -5.813 6.094 1.00 0.18 H new ATOM 901 N LEU A 155 66.059 -4.047 2.072 1.00 0.13 N ATOM 902 CA LEU A 155 66.344 -3.521 0.741 1.00 0.13 C ATOM 903 C LEU A 155 67.812 -3.736 0.386 1.00 0.12 C ATOM 904 O LEU A 155 68.146 -4.158 -0.721 1.00 0.12 O ATOM 905 CB LEU A 155 65.998 -2.029 0.693 1.00 0.12 C ATOM 906 CG LEU A 155 64.489 -1.845 0.888 1.00 0.13 C ATOM 907 CD1 LEU A 155 64.190 -0.393 1.267 1.00 0.12 C ATOM 908 CD2 LEU A 155 63.745 -2.185 -0.407 1.00 0.16 C ATOM 0 H LEU A 155 65.691 -3.361 2.731 1.00 0.13 H new ATOM 0 HA LEU A 155 65.734 -4.053 0.011 1.00 0.13 H new ATOM 0 HB2 LEU A 155 66.543 -1.494 1.470 1.00 0.12 H new ATOM 0 HB3 LEU A 155 66.306 -1.604 -0.263 1.00 0.12 H new ATOM 0 HG LEU A 155 64.156 -2.511 1.684 1.00 0.13 H new ATOM 0 HD11 LEU A 155 63.116 -0.267 1.405 1.00 0.12 H new ATOM 0 HD12 LEU A 155 64.706 -0.145 2.194 1.00 0.12 H new ATOM 0 HD13 LEU A 155 64.534 0.269 0.472 1.00 0.12 H new ATOM 0 HD21 LEU A 155 62.674 -2.051 -0.257 1.00 0.16 H new ATOM 0 HD22 LEU A 155 64.085 -1.526 -1.206 1.00 0.16 H new ATOM 0 HD23 LEU A 155 63.946 -3.221 -0.681 1.00 0.16 H new ATOM 920 N TYR A 156 68.688 -3.476 1.348 1.00 0.12 N ATOM 921 CA TYR A 156 70.119 -3.646 1.133 1.00 0.12 C ATOM 922 C TYR A 156 70.430 -5.086 0.739 1.00 0.12 C ATOM 923 O TYR A 156 71.173 -5.340 -0.207 1.00 0.11 O ATOM 924 CB TYR A 156 70.875 -3.278 2.415 1.00 0.12 C ATOM 925 CG TYR A 156 72.370 -3.495 2.340 1.00 0.13 C ATOM 926 CD1 TYR A 156 73.075 -3.163 1.177 1.00 0.24 C ATOM 927 CD2 TYR A 156 73.051 -4.026 3.442 1.00 0.23 C ATOM 928 CE1 TYR A 156 74.459 -3.363 1.116 1.00 0.26 C ATOM 929 CE2 TYR A 156 74.436 -4.226 3.381 1.00 0.23 C ATOM 930 CZ TYR A 156 75.140 -3.894 2.218 1.00 0.17 C ATOM 931 OH TYR A 156 76.504 -4.091 2.157 1.00 0.20 O ATOM 0 H TYR A 156 68.435 -3.148 2.280 1.00 0.12 H new ATOM 0 HA TYR A 156 70.437 -2.990 0.323 1.00 0.12 H new ATOM 0 HB2 TYR A 156 70.683 -2.231 2.648 1.00 0.12 H new ATOM 0 HB3 TYR A 156 70.475 -3.867 3.240 1.00 0.12 H new ATOM 0 HD1 TYR A 156 72.551 -2.752 0.327 1.00 0.24 H new ATOM 0 HD2 TYR A 156 72.508 -4.282 4.340 1.00 0.23 H new ATOM 0 HE1 TYR A 156 75.002 -3.107 0.218 1.00 0.26 H new ATOM 0 HE2 TYR A 156 74.960 -4.636 4.231 1.00 0.23 H new ATOM 0 HH TYR A 156 76.819 -4.465 3.006 1.00 0.20 H new ATOM 941 N MET A 157 69.831 -6.029 1.457 1.00 0.13 N ATOM 942 CA MET A 157 70.069 -7.445 1.199 1.00 0.14 C ATOM 943 C MET A 157 69.725 -7.789 -0.247 1.00 0.13 C ATOM 944 O MET A 157 70.489 -8.465 -0.937 1.00 0.14 O ATOM 945 CB MET A 157 69.218 -8.284 2.155 1.00 0.16 C ATOM 946 CG MET A 157 69.529 -9.771 1.966 1.00 0.17 C ATOM 947 SD MET A 157 68.516 -10.745 3.107 1.00 0.39 S ATOM 948 CE MET A 157 66.907 -10.365 2.369 1.00 0.52 C ATOM 0 H MET A 157 69.180 -5.841 2.219 1.00 0.13 H new ATOM 0 HA MET A 157 71.124 -7.665 1.362 1.00 0.14 H new ATOM 0 HB2 MET A 157 69.418 -7.990 3.186 1.00 0.16 H new ATOM 0 HB3 MET A 157 68.160 -8.099 1.970 1.00 0.16 H new ATOM 0 HG2 MET A 157 69.326 -10.069 0.937 1.00 0.17 H new ATOM 0 HG3 MET A 157 70.587 -9.959 2.150 1.00 0.17 H new ATOM 0 HE1 MET A 157 66.287 -11.262 2.366 1.00 0.52 H new ATOM 0 HE2 MET A 157 66.415 -9.586 2.951 1.00 0.52 H new ATOM 0 HE3 MET A 157 67.049 -10.018 1.345 1.00 0.52 H new ATOM 958 N GLU A 158 68.584 -7.294 -0.709 1.00 0.14 N ATOM 959 CA GLU A 158 68.131 -7.589 -2.064 1.00 0.14 C ATOM 960 C GLU A 158 69.169 -7.135 -3.083 1.00 0.13 C ATOM 961 O GLU A 158 69.529 -7.878 -3.998 1.00 0.15 O ATOM 962 CB GLU A 158 66.802 -6.884 -2.337 1.00 0.16 C ATOM 963 CG GLU A 158 65.726 -7.436 -1.395 1.00 0.17 C ATOM 964 CD GLU A 158 64.355 -6.824 -1.693 1.00 1.08 C ATOM 965 OE1 GLU A 158 64.299 -5.774 -2.316 1.00 1.63 O ATOM 966 OE2 GLU A 158 63.371 -7.421 -1.288 1.00 1.85 O ATOM 0 H GLU A 158 67.960 -6.692 -0.172 1.00 0.14 H new ATOM 0 HA GLU A 158 67.994 -8.666 -2.155 1.00 0.14 H new ATOM 0 HB2 GLU A 158 66.912 -5.809 -2.191 1.00 0.16 H new ATOM 0 HB3 GLU A 158 66.504 -7.036 -3.375 1.00 0.16 H new ATOM 0 HG2 GLU A 158 65.672 -8.520 -1.497 1.00 0.17 H new ATOM 0 HG3 GLU A 158 66.003 -7.227 -0.362 1.00 0.17 H new ATOM 973 N ALA A 159 69.670 -5.918 -2.905 1.00 0.12 N ATOM 974 CA ALA A 159 70.654 -5.371 -3.833 1.00 0.11 C ATOM 975 C ALA A 159 71.886 -6.269 -3.890 1.00 0.10 C ATOM 976 O ALA A 159 72.391 -6.586 -4.967 1.00 0.11 O ATOM 977 CB ALA A 159 71.065 -3.962 -3.402 1.00 0.11 C ATOM 0 H ALA A 159 69.415 -5.297 -2.137 1.00 0.12 H new ATOM 0 HA ALA A 159 70.202 -5.323 -4.824 1.00 0.11 H new ATOM 0 HB1 ALA A 159 71.800 -3.567 -4.104 1.00 0.11 H new ATOM 0 HB2 ALA A 159 70.188 -3.315 -3.391 1.00 0.11 H new ATOM 0 HB3 ALA A 159 71.501 -3.999 -2.404 1.00 0.11 H new ATOM 983 N LEU A 160 72.346 -6.708 -2.724 1.00 0.11 N ATOM 984 CA LEU A 160 73.538 -7.549 -2.649 1.00 0.11 C ATOM 985 C LEU A 160 73.368 -8.798 -3.505 1.00 0.11 C ATOM 986 O LEU A 160 74.287 -9.209 -4.211 1.00 0.12 O ATOM 987 CB LEU A 160 73.798 -7.965 -1.200 1.00 0.13 C ATOM 988 CG LEU A 160 74.129 -6.734 -0.356 1.00 0.14 C ATOM 989 CD1 LEU A 160 74.174 -7.129 1.123 1.00 0.16 C ATOM 990 CD2 LEU A 160 75.491 -6.179 -0.776 1.00 0.15 C ATOM 0 H LEU A 160 71.916 -6.498 -1.823 1.00 0.11 H new ATOM 0 HA LEU A 160 74.384 -6.973 -3.022 1.00 0.11 H new ATOM 0 HB2 LEU A 160 72.921 -8.469 -0.794 1.00 0.13 H new ATOM 0 HB3 LEU A 160 74.622 -8.677 -1.159 1.00 0.13 H new ATOM 0 HG LEU A 160 73.364 -5.972 -0.507 1.00 0.14 H new ATOM 0 HD11 LEU A 160 74.410 -6.253 1.727 1.00 0.16 H new ATOM 0 HD12 LEU A 160 73.204 -7.526 1.423 1.00 0.16 H new ATOM 0 HD13 LEU A 160 74.940 -7.890 1.273 1.00 0.16 H new ATOM 0 HD21 LEU A 160 75.727 -5.301 -0.175 1.00 0.15 H new ATOM 0 HD22 LEU A 160 76.257 -6.940 -0.624 1.00 0.15 H new ATOM 0 HD23 LEU A 160 75.461 -5.900 -1.829 1.00 0.15 H new ATOM 1002 N GLN A 161 72.186 -9.396 -3.428 1.00 0.12 N ATOM 1003 CA GLN A 161 71.895 -10.590 -4.212 1.00 0.14 C ATOM 1004 C GLN A 161 72.058 -10.297 -5.698 1.00 0.14 C ATOM 1005 O GLN A 161 72.740 -11.024 -6.418 1.00 0.15 O ATOM 1006 CB GLN A 161 70.462 -11.054 -3.941 1.00 0.16 C ATOM 1007 CG GLN A 161 70.307 -11.417 -2.463 1.00 0.17 C ATOM 1008 CD GLN A 161 68.853 -11.764 -2.147 1.00 0.27 C ATOM 1009 OE1 GLN A 161 67.943 -11.399 -2.894 1.00 1.02 O ATOM 1010 NE2 GLN A 161 68.578 -12.453 -1.073 1.00 0.79 N ATOM 0 H GLN A 161 71.419 -9.077 -2.836 1.00 0.12 H new ATOM 0 HA GLN A 161 72.593 -11.375 -3.923 1.00 0.14 H new ATOM 0 HB2 GLN A 161 69.758 -10.266 -4.207 1.00 0.16 H new ATOM 0 HB3 GLN A 161 70.225 -11.917 -4.564 1.00 0.16 H new ATOM 0 HG2 GLN A 161 70.950 -12.263 -2.221 1.00 0.17 H new ATOM 0 HG3 GLN A 161 70.631 -10.582 -1.841 1.00 0.17 H new ATOM 0 HE21 GLN A 161 69.331 -12.755 -0.454 1.00 0.79 H new ATOM 0 HE22 GLN A 161 67.611 -12.689 -0.852 1.00 0.79 H new ATOM 1019 N ARG A 162 71.479 -9.187 -6.136 1.00 0.14 N ATOM 1020 CA ARG A 162 71.495 -8.830 -7.551 1.00 0.15 C ATOM 1021 C ARG A 162 72.920 -8.758 -8.089 1.00 0.14 C ATOM 1022 O ARG A 162 73.200 -9.215 -9.197 1.00 0.16 O ATOM 1023 CB ARG A 162 70.812 -7.474 -7.751 1.00 0.16 C ATOM 1024 CG ARG A 162 69.351 -7.543 -7.284 1.00 0.20 C ATOM 1025 CD ARG A 162 68.494 -6.569 -8.095 1.00 0.23 C ATOM 1026 NE ARG A 162 68.355 -7.043 -9.475 1.00 0.94 N ATOM 1027 CZ ARG A 162 67.313 -6.734 -10.263 1.00 1.29 C ATOM 1028 NH1 ARG A 162 66.325 -5.976 -9.851 1.00 1.73 N ATOM 1029 NH2 ARG A 162 67.282 -7.205 -11.480 1.00 1.89 N ATOM 0 H ARG A 162 70.994 -8.520 -5.536 1.00 0.14 H new ATOM 0 HA ARG A 162 70.957 -9.604 -8.098 1.00 0.15 H new ATOM 0 HB2 ARG A 162 71.344 -6.704 -7.192 1.00 0.16 H new ATOM 0 HB3 ARG A 162 70.852 -7.190 -8.802 1.00 0.16 H new ATOM 0 HG2 ARG A 162 68.971 -8.558 -7.401 1.00 0.20 H new ATOM 0 HG3 ARG A 162 69.288 -7.299 -6.224 1.00 0.20 H new ATOM 0 HD2 ARG A 162 67.510 -6.470 -7.636 1.00 0.23 H new ATOM 0 HD3 ARG A 162 68.950 -5.579 -8.087 1.00 0.23 H new ATOM 0 HE ARG A 162 69.089 -7.639 -9.857 1.00 0.94 H new ATOM 0 HH11 ARG A 162 66.332 -5.600 -8.903 1.00 1.73 H new ATOM 0 HH12 ARG A 162 65.550 -5.763 -10.479 1.00 1.73 H new ATOM 0 HH21 ARG A 162 68.041 -7.797 -11.817 1.00 1.89 H new ATOM 0 HH22 ARG A 162 66.499 -6.981 -12.094 1.00 1.89 H new ATOM 1043 N ILE A 163 73.819 -8.180 -7.299 1.00 0.13 N ATOM 1044 CA ILE A 163 75.193 -7.960 -7.756 1.00 0.13 C ATOM 1045 C ILE A 163 76.135 -9.133 -7.455 1.00 0.15 C ATOM 1046 O ILE A 163 77.353 -8.983 -7.546 1.00 0.16 O ATOM 1047 CB ILE A 163 75.749 -6.672 -7.144 1.00 0.13 C ATOM 1048 CG1 ILE A 163 75.694 -6.758 -5.616 1.00 0.12 C ATOM 1049 CG2 ILE A 163 74.905 -5.490 -7.626 1.00 0.15 C ATOM 1050 CD1 ILE A 163 76.434 -5.564 -5.005 1.00 0.14 C ATOM 0 H ILE A 163 73.628 -7.858 -6.350 1.00 0.13 H new ATOM 0 HA ILE A 163 75.146 -7.872 -8.841 1.00 0.13 H new ATOM 0 HB ILE A 163 76.785 -6.535 -7.452 1.00 0.13 H new ATOM 0 HG12 ILE A 163 74.657 -6.766 -5.280 1.00 0.12 H new ATOM 0 HG13 ILE A 163 76.146 -7.690 -5.278 1.00 0.12 H new ATOM 0 HG21 ILE A 163 75.293 -4.567 -7.196 1.00 0.15 H new ATOM 0 HG22 ILE A 163 74.950 -5.430 -8.713 1.00 0.15 H new ATOM 0 HG23 ILE A 163 73.870 -5.630 -7.313 1.00 0.15 H new ATOM 0 HD11 ILE A 163 76.393 -5.628 -3.918 1.00 0.14 H new ATOM 0 HD12 ILE A 163 77.474 -5.576 -5.330 1.00 0.14 H new ATOM 0 HD13 ILE A 163 75.962 -4.637 -5.332 1.00 0.14 H new ATOM 1062 N GLY A 164 75.586 -10.292 -7.097 1.00 0.15 N ATOM 1063 CA GLY A 164 76.397 -11.495 -6.918 1.00 0.18 C ATOM 1064 C GLY A 164 77.314 -11.422 -5.696 1.00 0.16 C ATOM 1065 O GLY A 164 78.347 -12.091 -5.658 1.00 0.19 O ATOM 0 H GLY A 164 74.589 -10.424 -6.926 1.00 0.15 H new ATOM 0 HA2 GLY A 164 75.739 -12.359 -6.820 1.00 0.18 H new ATOM 0 HA3 GLY A 164 77.002 -11.654 -7.810 1.00 0.18 H new ATOM 1069 N ARG A 165 76.945 -10.619 -4.702 1.00 0.14 N ATOM 1070 CA ARG A 165 77.718 -10.546 -3.466 1.00 0.16 C ATOM 1071 C ARG A 165 77.097 -11.446 -2.402 1.00 0.18 C ATOM 1072 O ARG A 165 76.292 -10.995 -1.586 1.00 0.18 O ATOM 1073 CB ARG A 165 77.779 -9.104 -2.960 1.00 0.17 C ATOM 1074 CG ARG A 165 78.679 -8.279 -3.883 1.00 0.46 C ATOM 1075 CD ARG A 165 78.919 -6.900 -3.268 1.00 0.42 C ATOM 1076 NE ARG A 165 79.671 -6.054 -4.198 1.00 1.07 N ATOM 1077 CZ ARG A 165 79.827 -4.730 -4.035 1.00 1.43 C ATOM 1078 NH1 ARG A 165 79.314 -4.087 -3.015 1.00 1.91 N ATOM 1079 NH2 ARG A 165 80.513 -4.063 -4.921 1.00 2.05 N ATOM 0 H ARG A 165 76.123 -10.015 -4.727 1.00 0.14 H new ATOM 0 HA ARG A 165 78.732 -10.889 -3.671 1.00 0.16 H new ATOM 0 HB2 ARG A 165 76.778 -8.674 -2.931 1.00 0.17 H new ATOM 0 HB3 ARG A 165 78.165 -9.081 -1.941 1.00 0.17 H new ATOM 0 HG2 ARG A 165 79.629 -8.791 -4.034 1.00 0.46 H new ATOM 0 HG3 ARG A 165 78.214 -8.175 -4.863 1.00 0.46 H new ATOM 0 HD2 ARG A 165 77.965 -6.430 -3.028 1.00 0.42 H new ATOM 0 HD3 ARG A 165 79.469 -7.002 -2.332 1.00 0.42 H new ATOM 0 HE ARG A 165 80.099 -6.494 -5.013 1.00 1.07 H new ATOM 0 HH11 ARG A 165 78.775 -4.593 -2.312 1.00 1.91 H new ATOM 0 HH12 ARG A 165 79.453 -3.081 -2.924 1.00 1.91 H new ATOM 0 HH21 ARG A 165 80.920 -4.547 -5.721 1.00 2.05 H new ATOM 0 HH22 ARG A 165 80.642 -3.057 -4.814 1.00 2.05 H new