USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 149 SER OG : rot -56:sc= 1.05 USER MOD Set 1.2: A 152 CYS SG : rot -107:sc= 1.02 USER MOD Single : A 103 MET CE :methyl -146:sc= -0.151 (180deg=-1.39!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.4!) USER MOD Single : A 113 LYS NZ :NH3+ 165:sc=-8.87e-07 (180deg=-0.108) 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= 1.08 K(o=1.1,f=-6.2!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 131 SER OG : rot 100:sc= -0.135 USER MOD Single : A 132 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.1!) 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 -41:sc= 0.959 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 -125:sc= -0.498 (180deg=-3.16!) USER MOD Single : A 156 TYR OH : rot 15:sc= 0.0247 USER MOD Single : A 157 MET CE :methyl 139:sc= -0.248 (180deg=-1.35!) USER MOD Single : A 161 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.225 11.253 -11.065 1.00 0.00 N ATOM 101 CA MET A 103 59.860 10.713 -9.758 1.00 0.00 C ATOM 102 C MET A 103 61.100 10.322 -8.956 1.00 0.00 C ATOM 103 O MET A 103 61.270 10.745 -7.811 1.00 0.00 O ATOM 104 CB MET A 103 58.960 9.488 -9.934 1.00 0.00 C ATOM 105 CG MET A 103 57.630 9.917 -10.555 1.00 0.00 C ATOM 106 SD MET A 103 56.475 8.523 -10.543 1.00 0.00 S ATOM 107 CE MET A 103 57.450 7.406 -11.581 1.00 0.00 C ATOM 0 HA MET A 103 59.325 11.489 -9.210 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.450 8.752 -10.571 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.786 9.010 -8.970 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.210 10.754 -9.998 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.789 10.262 -11.577 1.00 0.00 H new ATOM 0 HE1 MET A 103 56.781 6.798 -12.190 1.00 0.00 H new ATOM 0 HE2 MET A 103 58.102 7.990 -12.231 1.00 0.00 H new ATOM 0 HE3 MET A 103 58.055 6.757 -10.948 1.00 0.00 H new ATOM 117 N LEU A 104 61.979 9.536 -9.570 1.00 0.00 N ATOM 118 CA LEU A 104 63.186 9.076 -8.888 1.00 0.00 C ATOM 119 C LEU A 104 63.994 10.256 -8.352 1.00 0.00 C ATOM 120 O LEU A 104 64.394 10.269 -7.187 1.00 0.00 O ATOM 121 CB LEU A 104 64.057 8.265 -9.850 1.00 0.00 C ATOM 122 CG LEU A 104 63.338 6.976 -10.251 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.118 6.280 -11.369 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.248 6.041 -9.041 1.00 0.00 C ATOM 0 H LEU A 104 61.881 9.206 -10.530 1.00 0.00 H new ATOM 0 HA LEU A 104 62.880 8.449 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.280 8.857 -10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.010 8.027 -9.377 1.00 0.00 H new ATOM 0 HG LEU A 104 62.335 7.218 -10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.604 5.362 -11.654 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.184 6.942 -12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.122 6.040 -11.018 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.735 5.123 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.252 5.802 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.692 6.532 -8.242 1.00 0.00 H new ATOM 136 N ALA A 105 64.210 11.257 -9.197 1.00 0.00 N ATOM 137 CA ALA A 105 65.036 12.397 -8.815 1.00 0.00 C ATOM 138 C ALA A 105 64.468 13.110 -7.592 1.00 0.00 C ATOM 139 O ALA A 105 65.187 13.363 -6.629 1.00 0.00 O ATOM 140 CB ALA A 105 65.140 13.381 -9.981 1.00 0.00 C ATOM 0 H ALA A 105 63.829 11.304 -10.142 1.00 0.00 H new ATOM 0 HA ALA A 105 66.028 12.022 -8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.758 14.229 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.592 12.882 -10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.144 13.734 -10.249 1.00 0.00 H new ATOM 146 N THR A 106 63.174 13.412 -7.617 1.00 0.00 N ATOM 147 CA THR A 106 62.542 14.130 -6.510 1.00 0.00 C ATOM 148 C THR A 106 62.805 13.436 -5.175 1.00 0.00 C ATOM 149 O THR A 106 63.276 14.057 -4.221 1.00 0.00 O ATOM 150 CB THR A 106 61.033 14.224 -6.748 1.00 0.00 C ATOM 151 OG1 THR A 106 60.792 14.770 -8.036 1.00 0.00 O ATOM 152 CG2 THR A 106 60.401 15.124 -5.684 1.00 0.00 C ATOM 0 H THR A 106 62.545 13.174 -8.384 1.00 0.00 H new ATOM 0 HA THR A 106 62.974 15.130 -6.467 1.00 0.00 H new ATOM 0 HB THR A 106 60.593 13.229 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.826 14.829 -8.191 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.326 15.190 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.586 14.704 -4.695 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.840 16.120 -5.743 1.00 0.00 H new ATOM 160 N ARG A 107 62.521 12.139 -5.120 1.00 0.00 N ATOM 161 CA ARG A 107 62.714 11.382 -3.888 1.00 0.00 C ATOM 162 C ARG A 107 64.158 11.485 -3.403 1.00 0.00 C ATOM 163 O ARG A 107 64.404 11.740 -2.222 1.00 0.00 O ATOM 164 CB ARG A 107 62.345 9.915 -4.114 1.00 0.00 C ATOM 165 CG ARG A 107 60.884 9.816 -4.565 1.00 0.00 C ATOM 166 CD ARG A 107 59.958 10.139 -3.391 1.00 0.00 C ATOM 167 NE ARG A 107 58.565 9.864 -3.757 1.00 0.00 N ATOM 168 CZ ARG A 107 57.613 9.553 -2.866 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.859 9.466 -1.580 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.400 9.327 -3.292 1.00 0.00 N ATOM 0 H ARG A 107 62.161 11.595 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 107 62.064 11.805 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 107 62.999 9.477 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.492 9.347 -3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.700 10.508 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.676 8.814 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.238 9.543 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.068 11.186 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 107 58.306 9.912 -4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.801 9.638 -1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 107 57.108 9.227 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.190 9.388 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.663 9.089 -2.629 1.00 0.00 H new ATOM 184 N GLU A 108 65.115 11.311 -4.313 1.00 0.00 N ATOM 185 CA GLU A 108 66.523 11.371 -3.936 1.00 0.00 C ATOM 186 C GLU A 108 66.861 12.734 -3.340 1.00 0.00 C ATOM 187 O GLU A 108 67.605 12.820 -2.366 1.00 0.00 O ATOM 188 CB GLU A 108 67.414 11.090 -5.151 1.00 0.00 C ATOM 189 CG GLU A 108 68.886 11.058 -4.718 1.00 0.00 C ATOM 190 CD GLU A 108 69.799 10.606 -5.862 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.373 10.636 -7.007 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.928 10.247 -5.573 1.00 0.00 O ATOM 0 H GLU A 108 64.944 11.130 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 108 66.708 10.607 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.138 10.138 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.265 11.859 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.188 12.049 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 108 69.002 10.383 -3.870 1.00 0.00 H new ATOM 199 N GLN A 109 66.308 13.795 -3.918 1.00 0.00 N ATOM 200 CA GLN A 109 66.594 15.143 -3.444 1.00 0.00 C ATOM 201 C GLN A 109 66.211 15.280 -1.976 1.00 0.00 C ATOM 202 O GLN A 109 66.986 15.788 -1.168 1.00 0.00 O ATOM 203 CB GLN A 109 65.823 16.172 -4.274 1.00 0.00 C ATOM 204 CG GLN A 109 66.410 16.239 -5.685 1.00 0.00 C ATOM 205 CD GLN A 109 65.582 17.177 -6.559 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.408 17.419 -6.279 1.00 0.00 O ATOM 207 NE2 GLN A 109 66.129 17.723 -7.611 1.00 0.00 N ATOM 0 H GLN A 109 65.665 13.749 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 109 67.663 15.326 -3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 109 64.769 15.900 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 109 65.878 17.152 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 109 67.442 16.588 -5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.429 15.242 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 109 67.102 17.522 -7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.584 18.351 -8.202 1.00 0.00 H new ATOM 216 N GLU A 110 65.028 14.788 -1.630 1.00 0.00 N ATOM 217 CA GLU A 110 64.549 14.891 -0.256 1.00 0.00 C ATOM 218 C GLU A 110 65.499 14.176 0.697 1.00 0.00 C ATOM 219 O GLU A 110 65.887 14.721 1.729 1.00 0.00 O ATOM 220 CB GLU A 110 63.148 14.285 -0.140 1.00 0.00 C ATOM 221 CG GLU A 110 62.166 15.098 -0.991 1.00 0.00 C ATOM 222 CD GLU A 110 60.734 14.585 -0.828 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.557 13.445 -0.425 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.825 15.348 -1.112 1.00 0.00 O ATOM 0 H GLU A 110 64.389 14.319 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 110 64.508 15.946 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.161 13.247 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.827 14.282 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 110 62.214 16.148 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.458 15.042 -2.040 1.00 0.00 H new ATOM 231 N ALA A 111 65.893 12.962 0.332 1.00 0.00 N ATOM 232 CA ALA A 111 66.794 12.180 1.172 1.00 0.00 C ATOM 233 C ALA A 111 68.108 12.924 1.387 1.00 0.00 C ATOM 234 O ALA A 111 68.603 13.019 2.509 1.00 0.00 O ATOM 235 CB ALA A 111 67.072 10.825 0.517 1.00 0.00 C ATOM 0 H ALA A 111 65.607 12.500 -0.531 1.00 0.00 H new ATOM 0 HA ALA A 111 66.317 12.025 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.745 10.246 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.135 10.282 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.534 10.980 -0.458 1.00 0.00 H new ATOM 241 N ASN A 112 68.661 13.460 0.304 1.00 0.00 N ATOM 242 CA ASN A 112 69.941 14.155 0.373 1.00 0.00 C ATOM 243 C ASN A 112 69.873 15.333 1.341 1.00 0.00 C ATOM 244 O ASN A 112 70.788 15.545 2.136 1.00 0.00 O ATOM 245 CB ASN A 112 70.335 14.659 -1.017 1.00 0.00 C ATOM 246 CG ASN A 112 71.763 15.194 -1.001 1.00 0.00 C ATOM 247 OD1 ASN A 112 72.275 15.580 0.050 1.00 0.00 O ATOM 248 ND2 ASN A 112 72.443 15.241 -2.114 1.00 0.00 N ATOM 0 H ASN A 112 68.246 13.427 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 112 70.690 13.451 0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.251 13.850 -1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.649 15.444 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 112 73.399 15.598 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 112 72.019 14.921 -2.985 1.00 0.00 H new ATOM 255 N LYS A 113 68.785 16.094 1.270 1.00 0.00 N ATOM 256 CA LYS A 113 68.624 17.252 2.142 1.00 0.00 C ATOM 257 C LYS A 113 68.644 16.816 3.602 1.00 0.00 C ATOM 258 O LYS A 113 69.336 17.408 4.430 1.00 0.00 O ATOM 259 CB LYS A 113 67.304 17.965 1.839 1.00 0.00 C ATOM 260 CG LYS A 113 67.342 18.550 0.425 1.00 0.00 C ATOM 261 CD LYS A 113 68.305 19.738 0.384 1.00 0.00 C ATOM 262 CE LYS A 113 68.124 20.495 -0.933 1.00 0.00 C ATOM 263 NZ LYS A 113 66.899 21.339 -0.856 1.00 0.00 N ATOM 0 H LYS A 113 68.011 15.933 0.626 1.00 0.00 H new ATOM 0 HA LYS A 113 69.451 17.939 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.473 17.265 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 113 67.134 18.759 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 113 67.660 17.787 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 113 66.343 18.868 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 113 68.116 20.403 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 113 69.334 19.390 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 113 68.996 21.118 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 113 68.042 19.791 -1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 66.908 22.035 -1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 66.056 20.736 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 66.877 21.836 0.057 1.00 0.00 H new ATOM 277 N ASP A 114 67.878 15.773 3.904 1.00 0.00 N ATOM 278 CA ASP A 114 67.832 15.224 5.257 1.00 0.00 C ATOM 279 C ASP A 114 68.232 13.753 5.247 1.00 0.00 C ATOM 280 O ASP A 114 67.493 12.898 4.759 1.00 0.00 O ATOM 281 CB ASP A 114 66.420 15.365 5.828 1.00 0.00 C ATOM 282 CG ASP A 114 66.424 15.022 7.314 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.673 15.915 8.107 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.179 13.872 7.637 1.00 0.00 O ATOM 0 H ASP A 114 67.281 15.291 3.232 1.00 0.00 H new ATOM 0 HA ASP A 114 68.534 15.778 5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 114 66.059 16.383 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.735 14.705 5.295 1.00 0.00 H new ATOM 289 N LEU A 115 69.413 13.460 5.779 1.00 0.00 N ATOM 290 CA LEU A 115 69.884 12.076 5.854 1.00 0.00 C ATOM 291 C LEU A 115 69.590 11.418 7.210 1.00 0.00 C ATOM 292 O LEU A 115 69.740 10.204 7.344 1.00 0.00 O ATOM 293 CB LEU A 115 71.391 12.020 5.585 1.00 0.00 C ATOM 294 CG LEU A 115 71.679 12.417 4.134 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.187 12.585 3.943 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.174 11.323 3.189 1.00 0.00 C ATOM 0 H LEU A 115 70.058 14.151 6.162 1.00 0.00 H new ATOM 0 HA LEU A 115 69.338 11.519 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.915 12.691 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.766 11.015 5.777 1.00 0.00 H new ATOM 0 HG LEU A 115 71.171 13.355 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.394 12.868 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.554 13.363 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.689 11.645 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.381 11.609 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.682 10.385 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 115 70.100 11.195 3.322 1.00 0.00 H new ATOM 308 N THR A 116 69.188 12.199 8.215 1.00 0.00 N ATOM 309 CA THR A 116 68.928 11.650 9.545 1.00 0.00 C ATOM 310 C THR A 116 67.460 11.247 9.749 1.00 0.00 C ATOM 311 O THR A 116 67.035 11.036 10.884 1.00 0.00 O ATOM 312 CB THR A 116 69.315 12.681 10.606 1.00 0.00 C ATOM 313 OG1 THR A 116 68.540 13.857 10.425 1.00 0.00 O ATOM 314 CG2 THR A 116 70.801 13.019 10.474 1.00 0.00 C ATOM 0 H THR A 116 69.037 13.204 8.134 1.00 0.00 H new ATOM 0 HA THR A 116 69.530 10.747 9.640 1.00 0.00 H new ATOM 0 HB THR A 116 69.126 12.271 11.598 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.785 14.518 11.105 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.076 13.754 11.231 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.394 12.115 10.614 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.994 13.429 9.483 1.00 0.00 H new ATOM 322 N SER A 117 66.684 11.139 8.669 1.00 0.00 N ATOM 323 CA SER A 117 65.288 10.724 8.775 1.00 0.00 C ATOM 324 C SER A 117 65.111 9.312 8.207 1.00 0.00 C ATOM 325 O SER A 117 64.906 9.170 7.000 1.00 0.00 O ATOM 326 CB SER A 117 64.408 11.694 7.985 1.00 0.00 C ATOM 327 OG SER A 117 63.080 11.189 7.939 1.00 0.00 O ATOM 0 H SER A 117 66.998 11.332 7.718 1.00 0.00 H new ATOM 0 HA SER A 117 64.998 10.727 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.420 12.678 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.798 11.817 6.975 1.00 0.00 H new ATOM 0 HG SER A 117 62.512 11.808 7.435 1.00 0.00 H new ATOM 333 N PRO A 118 65.152 8.273 9.019 1.00 0.00 N ATOM 334 CA PRO A 118 65.085 6.872 8.497 1.00 0.00 C ATOM 335 C PRO A 118 63.944 6.661 7.506 1.00 0.00 C ATOM 336 O PRO A 118 64.090 5.909 6.545 1.00 0.00 O ATOM 337 CB PRO A 118 64.883 6.011 9.744 1.00 0.00 C ATOM 338 CG PRO A 118 65.468 6.801 10.863 1.00 0.00 C ATOM 339 CD PRO A 118 65.291 8.273 10.491 1.00 0.00 C ATOM 0 HA PRO A 118 65.987 6.618 7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.826 5.808 9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.380 5.046 9.641 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.964 6.575 11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.522 6.559 11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.411 8.700 10.972 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.148 8.868 10.808 1.00 0.00 H new ATOM 347 N ASP A 119 62.819 7.333 7.729 1.00 0.00 N ATOM 348 CA ASP A 119 61.673 7.187 6.837 1.00 0.00 C ATOM 349 C ASP A 119 62.055 7.552 5.405 1.00 0.00 C ATOM 350 O ASP A 119 61.888 6.752 4.483 1.00 0.00 O ATOM 351 CB ASP A 119 60.524 8.080 7.308 1.00 0.00 C ATOM 352 CG ASP A 119 60.038 7.629 8.682 1.00 0.00 C ATOM 353 OD1 ASP A 119 60.044 6.434 8.928 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.668 8.485 9.468 1.00 0.00 O ATOM 0 H ASP A 119 62.676 7.976 8.508 1.00 0.00 H new ATOM 0 HA ASP A 119 61.352 6.145 6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.855 9.118 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.703 8.038 6.592 1.00 0.00 H new ATOM 359 N ALA A 120 62.592 8.756 5.226 1.00 0.00 N ATOM 360 CA ALA A 120 62.973 9.212 3.894 1.00 0.00 C ATOM 361 C ALA A 120 63.979 8.255 3.268 1.00 0.00 C ATOM 362 O ALA A 120 63.878 7.930 2.083 1.00 0.00 O ATOM 363 CB ALA A 120 63.572 10.618 3.964 1.00 0.00 C ATOM 0 H ALA A 120 62.771 9.425 5.975 1.00 0.00 H new ATOM 0 HA ALA A 120 62.077 9.237 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.852 10.945 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.836 11.307 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.456 10.606 4.601 1.00 0.00 H new ATOM 369 N GLN A 121 64.929 7.775 4.069 1.00 0.00 N ATOM 370 CA GLN A 121 65.946 6.864 3.546 1.00 0.00 C ATOM 371 C GLN A 121 65.277 5.614 2.987 1.00 0.00 C ATOM 372 O GLN A 121 65.538 5.219 1.855 1.00 0.00 O ATOM 373 CB GLN A 121 66.971 6.440 4.616 1.00 0.00 C ATOM 374 CG GLN A 121 67.397 7.599 5.535 1.00 0.00 C ATOM 375 CD GLN A 121 67.765 8.860 4.751 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.700 8.848 3.950 1.00 0.00 O ATOM 377 NE2 GLN A 121 67.064 9.946 4.935 1.00 0.00 N ATOM 0 H GLN A 121 65.016 7.995 5.061 1.00 0.00 H new ATOM 0 HA GLN A 121 66.482 7.403 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.545 5.641 5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.853 6.031 4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.586 7.828 6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.250 7.287 6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.291 9.947 5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.289 10.793 4.413 1.00 0.00 H new ATOM 386 N ALA A 122 64.348 5.043 3.753 1.00 0.00 N ATOM 387 CA ALA A 122 63.699 3.794 3.366 1.00 0.00 C ATOM 388 C ALA A 122 63.089 3.916 1.977 1.00 0.00 C ATOM 389 O ALA A 122 63.297 3.059 1.118 1.00 0.00 O ATOM 390 CB ALA A 122 62.606 3.434 4.374 1.00 0.00 C ATOM 0 H ALA A 122 64.029 5.426 4.643 1.00 0.00 H new ATOM 0 HA ALA A 122 64.453 3.007 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.129 2.501 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.048 3.315 5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.861 4.229 4.403 1.00 0.00 H new ATOM 396 N ALA A 123 62.384 5.017 1.748 1.00 0.00 N ATOM 397 CA ALA A 123 61.751 5.236 0.453 1.00 0.00 C ATOM 398 C ALA A 123 62.803 5.249 -0.654 1.00 0.00 C ATOM 399 O ALA A 123 62.639 4.610 -1.691 1.00 0.00 O ATOM 400 CB ALA A 123 60.987 6.561 0.455 1.00 0.00 C ATOM 0 H ALA A 123 62.237 5.761 2.430 1.00 0.00 H new ATOM 0 HA ALA A 123 61.050 4.422 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.519 6.713 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.219 6.537 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.678 7.379 0.657 1.00 0.00 H new ATOM 406 N PHE A 124 63.898 5.963 -0.415 1.00 0.00 N ATOM 407 CA PHE A 124 64.963 6.064 -1.407 1.00 0.00 C ATOM 408 C PHE A 124 65.509 4.684 -1.760 1.00 0.00 C ATOM 409 O PHE A 124 65.700 4.359 -2.930 1.00 0.00 O ATOM 410 CB PHE A 124 66.095 6.941 -0.869 1.00 0.00 C ATOM 411 CG PHE A 124 67.174 7.221 -1.890 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.826 7.645 -3.177 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.521 7.054 -1.548 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.825 7.903 -4.123 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.521 7.314 -2.493 1.00 0.00 C ATOM 416 CZ PHE A 124 69.172 7.738 -3.781 1.00 0.00 C ATOM 0 H PHE A 124 64.071 6.476 0.449 1.00 0.00 H new ATOM 0 HA PHE A 124 64.549 6.515 -2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.679 7.887 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.542 6.453 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.787 7.773 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.789 6.725 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.556 8.229 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.560 7.188 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.943 7.938 -4.511 1.00 0.00 H new ATOM 426 N TYR A 125 65.737 3.863 -0.741 1.00 0.00 N ATOM 427 CA TYR A 125 66.290 2.528 -0.954 1.00 0.00 C ATOM 428 C TYR A 125 65.390 1.731 -1.894 1.00 0.00 C ATOM 429 O TYR A 125 65.853 1.114 -2.853 1.00 0.00 O ATOM 430 CB TYR A 125 66.404 1.779 0.380 1.00 0.00 C ATOM 431 CG TYR A 125 67.516 2.255 1.291 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.848 1.914 1.024 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.212 3.024 2.418 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.868 2.347 1.886 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.226 3.459 3.277 1.00 0.00 C ATOM 436 CZ TYR A 125 69.557 3.122 3.014 1.00 0.00 C ATOM 437 OH TYR A 125 70.556 3.551 3.869 1.00 0.00 O ATOM 0 H TYR A 125 65.550 4.095 0.235 1.00 0.00 H new ATOM 0 HA TYR A 125 67.280 2.635 -1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.457 1.869 0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.554 0.720 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.090 1.319 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.185 3.284 2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.895 2.083 1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 125 67.981 4.055 4.144 1.00 0.00 H new ATOM 0 HH TYR A 125 70.161 4.077 4.596 1.00 0.00 H new ATOM 447 N LYS A 126 64.090 1.773 -1.625 1.00 0.00 N ATOM 448 CA LYS A 126 63.128 1.023 -2.422 1.00 0.00 C ATOM 449 C LYS A 126 63.204 1.436 -3.885 1.00 0.00 C ATOM 450 O LYS A 126 63.251 0.593 -4.780 1.00 0.00 O ATOM 451 CB LYS A 126 61.714 1.278 -1.891 1.00 0.00 C ATOM 452 CG LYS A 126 61.582 0.729 -0.463 1.00 0.00 C ATOM 453 CD LYS A 126 60.139 0.297 -0.198 1.00 0.00 C ATOM 454 CE LYS A 126 60.031 -0.289 1.212 1.00 0.00 C ATOM 455 NZ LYS A 126 58.672 -0.872 1.403 1.00 0.00 N ATOM 0 H LYS A 126 63.680 2.316 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 126 63.365 -0.038 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.501 2.347 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 126 60.981 0.801 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.254 -0.118 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.880 1.491 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.468 1.150 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.829 -0.443 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 126 60.792 -1.056 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.214 0.487 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 58.597 -1.271 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 57.955 -0.129 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 58.515 -1.624 0.702 1.00 0.00 H new ATOM 469 N LEU A 127 63.235 2.741 -4.120 1.00 0.00 N ATOM 470 CA LEU A 127 63.266 3.256 -5.482 1.00 0.00 C ATOM 471 C LEU A 127 64.484 2.726 -6.226 1.00 0.00 C ATOM 472 O LEU A 127 64.380 2.284 -7.370 1.00 0.00 O ATOM 473 CB LEU A 127 63.306 4.784 -5.462 1.00 0.00 C ATOM 474 CG LEU A 127 62.054 5.317 -4.766 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.260 6.789 -4.412 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.853 5.183 -5.705 1.00 0.00 C ATOM 0 H LEU A 127 63.239 3.456 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 127 62.365 2.923 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.199 5.128 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.362 5.170 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 127 61.870 4.745 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.368 7.172 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.117 6.886 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.442 7.360 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 127 59.960 5.563 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.036 5.757 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.707 4.134 -5.962 1.00 0.00 H new ATOM 488 N LEU A 128 65.634 2.744 -5.561 1.00 0.00 N ATOM 489 CA LEU A 128 66.874 2.327 -6.206 1.00 0.00 C ATOM 490 C LEU A 128 66.796 0.870 -6.646 1.00 0.00 C ATOM 491 O LEU A 128 67.269 0.525 -7.729 1.00 0.00 O ATOM 492 CB LEU A 128 68.061 2.520 -5.259 1.00 0.00 C ATOM 493 CG LEU A 128 68.538 3.973 -5.317 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.422 4.269 -4.103 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.346 4.194 -6.599 1.00 0.00 C ATOM 0 H LEU A 128 65.734 3.038 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 128 67.018 2.949 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.771 2.263 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.874 1.849 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 128 67.675 4.639 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.762 5.304 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.850 4.111 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.285 3.603 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.686 5.229 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.209 3.528 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.719 3.983 -7.465 1.00 0.00 H new ATOM 507 N LEU A 129 66.211 0.015 -5.811 1.00 0.00 N ATOM 508 CA LEU A 129 66.094 -1.398 -6.160 1.00 0.00 C ATOM 509 C LEU A 129 65.190 -1.579 -7.375 1.00 0.00 C ATOM 510 O LEU A 129 65.550 -2.267 -8.330 1.00 0.00 O ATOM 511 CB LEU A 129 65.535 -2.197 -4.982 1.00 0.00 C ATOM 512 CG LEU A 129 66.667 -2.548 -4.013 1.00 0.00 C ATOM 513 CD1 LEU A 129 66.079 -3.010 -2.678 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.520 -3.669 -4.611 1.00 0.00 C ATOM 0 H LEU A 129 65.817 0.269 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 129 67.090 -1.768 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.769 -1.617 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 129 65.056 -3.108 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 129 67.287 -1.667 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.888 -3.259 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.473 -2.211 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.456 -3.890 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.326 -3.920 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.899 -4.549 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.943 -3.338 -5.559 1.00 0.00 H new ATOM 526 N GLN A 130 64.044 -0.906 -7.369 1.00 0.00 N ATOM 527 CA GLN A 130 63.085 -1.045 -8.460 1.00 0.00 C ATOM 528 C GLN A 130 63.707 -0.640 -9.793 1.00 0.00 C ATOM 529 O GLN A 130 63.463 -1.275 -10.819 1.00 0.00 O ATOM 530 CB GLN A 130 61.855 -0.179 -8.184 1.00 0.00 C ATOM 531 CG GLN A 130 61.130 -0.701 -6.941 1.00 0.00 C ATOM 532 CD GLN A 130 59.946 0.200 -6.599 1.00 0.00 C ATOM 533 OE1 GLN A 130 59.913 1.366 -6.992 1.00 0.00 O ATOM 534 NE2 GLN A 130 58.965 -0.276 -5.883 1.00 0.00 N ATOM 0 H GLN A 130 63.758 -0.265 -6.629 1.00 0.00 H new ATOM 0 HA GLN A 130 62.790 -2.093 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.154 0.858 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.185 -0.197 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.782 -1.719 -7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.821 -0.740 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 130 58.993 -1.242 -5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.170 0.318 -5.648 1.00 0.00 H new ATOM 543 N SER A 131 64.507 0.420 -9.774 1.00 0.00 N ATOM 544 CA SER A 131 65.102 0.940 -11.004 1.00 0.00 C ATOM 545 C SER A 131 66.410 0.236 -11.387 1.00 0.00 C ATOM 546 O SER A 131 67.166 0.757 -12.208 1.00 0.00 O ATOM 547 CB SER A 131 65.362 2.438 -10.848 1.00 0.00 C ATOM 548 OG SER A 131 64.119 3.125 -10.804 1.00 0.00 O ATOM 0 H SER A 131 64.758 0.934 -8.929 1.00 0.00 H new ATOM 0 HA SER A 131 64.390 0.749 -11.807 1.00 0.00 H new ATOM 0 HB2 SER A 131 65.929 2.628 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 131 65.964 2.803 -11.680 1.00 0.00 H new ATOM 0 HG SER A 131 63.891 3.330 -9.873 1.00 0.00 H new ATOM 554 N ASN A 132 66.687 -0.934 -10.809 1.00 0.00 N ATOM 555 CA ASN A 132 67.877 -1.696 -11.176 1.00 0.00 C ATOM 556 C ASN A 132 69.148 -0.908 -10.856 1.00 0.00 C ATOM 557 O ASN A 132 70.037 -0.753 -11.695 1.00 0.00 O ATOM 558 CB ASN A 132 67.825 -2.052 -12.666 1.00 0.00 C ATOM 559 CG ASN A 132 68.782 -3.202 -12.962 1.00 0.00 C ATOM 560 OD1 ASN A 132 69.080 -4.006 -12.079 1.00 0.00 O ATOM 561 ND2 ASN A 132 69.284 -3.329 -14.160 1.00 0.00 N ATOM 0 H ASN A 132 66.108 -1.370 -10.091 1.00 0.00 H new ATOM 0 HA ASN A 132 67.897 -2.616 -10.592 1.00 0.00 H new ATOM 0 HB2 ASN A 132 66.809 -2.332 -12.946 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.093 -1.182 -13.266 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.925 -4.096 -14.366 1.00 0.00 H new ATOM 0 HD22 ASN A 132 69.036 -2.662 -14.890 1.00 0.00 H new ATOM 568 N TYR A 133 69.232 -0.415 -9.624 1.00 0.00 N ATOM 569 CA TYR A 133 70.418 0.313 -9.173 1.00 0.00 C ATOM 570 C TYR A 133 71.005 -0.308 -7.892 1.00 0.00 C ATOM 571 O TYR A 133 71.375 0.414 -6.958 1.00 0.00 O ATOM 572 CB TYR A 133 70.033 1.775 -8.911 1.00 0.00 C ATOM 573 CG TYR A 133 69.891 2.617 -10.157 1.00 0.00 C ATOM 574 CD1 TYR A 133 71.014 3.249 -10.703 1.00 0.00 C ATOM 575 CD2 TYR A 133 68.637 2.776 -10.757 1.00 0.00 C ATOM 576 CE1 TYR A 133 70.883 4.038 -11.852 1.00 0.00 C ATOM 577 CE2 TYR A 133 68.505 3.567 -11.904 1.00 0.00 C ATOM 578 CZ TYR A 133 69.629 4.197 -12.453 1.00 0.00 C ATOM 579 OH TYR A 133 69.500 4.977 -13.584 1.00 0.00 O ATOM 0 H TYR A 133 68.498 -0.505 -8.922 1.00 0.00 H new ATOM 0 HA TYR A 133 71.180 0.255 -9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.091 1.797 -8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.787 2.226 -8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.981 3.128 -10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 133 67.771 2.288 -10.335 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.750 4.524 -12.275 1.00 0.00 H new ATOM 0 HE2 TYR A 133 67.537 3.692 -12.366 1.00 0.00 H new ATOM 0 HH TYR A 133 68.564 4.981 -13.874 1.00 0.00 H new ATOM 589 N PRO A 134 71.200 -1.611 -7.845 1.00 0.00 N ATOM 590 CA PRO A 134 71.654 -2.281 -6.585 1.00 0.00 C ATOM 591 C PRO A 134 72.971 -1.697 -6.078 1.00 0.00 C ATOM 592 O PRO A 134 73.152 -1.501 -4.877 1.00 0.00 O ATOM 593 CB PRO A 134 71.807 -3.760 -6.958 1.00 0.00 C ATOM 594 CG PRO A 134 71.900 -3.789 -8.446 1.00 0.00 C ATOM 595 CD PRO A 134 71.103 -2.587 -8.948 1.00 0.00 C ATOM 0 HA PRO A 134 70.942 -2.135 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.698 -4.190 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.956 -4.343 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.938 -3.731 -8.772 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.493 -4.719 -8.843 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.521 -2.188 -9.872 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.067 -2.853 -9.156 1.00 0.00 H new ATOM 603 N GLN A 135 73.880 -1.395 -6.999 1.00 0.00 N ATOM 604 CA GLN A 135 75.181 -0.849 -6.625 1.00 0.00 C ATOM 605 C GLN A 135 75.023 0.419 -5.788 1.00 0.00 C ATOM 606 O GLN A 135 75.755 0.629 -4.821 1.00 0.00 O ATOM 607 CB GLN A 135 75.997 -0.535 -7.880 1.00 0.00 C ATOM 608 CG GLN A 135 76.303 -1.833 -8.630 1.00 0.00 C ATOM 609 CD GLN A 135 77.040 -1.531 -9.933 1.00 0.00 C ATOM 610 OE1 GLN A 135 76.953 -0.420 -10.458 1.00 0.00 O ATOM 611 NE2 GLN A 135 77.766 -2.461 -10.489 1.00 0.00 N ATOM 0 H GLN A 135 73.743 -1.517 -8.002 1.00 0.00 H new ATOM 0 HA GLN A 135 75.702 -1.597 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.444 0.148 -8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 135 76.925 -0.033 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 135 76.910 -2.488 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 135 75.376 -2.365 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 135 77.838 -3.381 -10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 135 78.262 -2.269 -11.359 1.00 0.00 H new ATOM 620 N TYR A 136 74.038 1.244 -6.133 1.00 0.00 N ATOM 621 CA TYR A 136 73.814 2.492 -5.412 1.00 0.00 C ATOM 622 C TYR A 136 73.296 2.198 -4.008 1.00 0.00 C ATOM 623 O TYR A 136 73.735 2.806 -3.032 1.00 0.00 O ATOM 624 CB TYR A 136 72.804 3.358 -6.168 1.00 0.00 C ATOM 625 CG TYR A 136 73.430 4.196 -7.258 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.225 3.592 -8.240 1.00 0.00 C ATOM 627 CD2 TYR A 136 73.214 5.579 -7.285 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.805 4.371 -9.248 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.794 6.358 -8.294 1.00 0.00 C ATOM 630 CZ TYR A 136 74.589 5.754 -9.276 1.00 0.00 C ATOM 631 OH TYR A 136 75.161 6.522 -10.270 1.00 0.00 O ATOM 0 H TYR A 136 73.388 1.073 -6.900 1.00 0.00 H new ATOM 0 HA TYR A 136 74.759 3.031 -5.336 1.00 0.00 H new ATOM 0 HB2 TYR A 136 72.042 2.715 -6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.298 4.015 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.391 2.525 -8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.600 6.045 -6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.419 3.905 -10.004 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.628 7.425 -8.315 1.00 0.00 H new ATOM 0 HH TYR A 136 74.910 7.461 -10.143 1.00 0.00 H new ATOM 641 N VAL A 137 72.387 1.232 -3.906 1.00 0.00 N ATOM 642 CA VAL A 137 71.824 0.841 -2.616 1.00 0.00 C ATOM 643 C VAL A 137 72.942 0.466 -1.646 1.00 0.00 C ATOM 644 O VAL A 137 72.925 0.860 -0.482 1.00 0.00 O ATOM 645 CB VAL A 137 70.873 -0.349 -2.808 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.245 -0.770 -1.474 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.752 0.049 -3.770 1.00 0.00 C ATOM 0 H VAL A 137 72.024 0.705 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 137 71.268 1.681 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 137 71.447 -1.184 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.576 -1.615 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 137 71.031 -1.060 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.681 0.065 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.075 -0.794 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.200 0.893 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.181 0.332 -4.731 1.00 0.00 H new ATOM 657 N VAL A 138 73.923 -0.276 -2.144 1.00 0.00 N ATOM 658 CA VAL A 138 75.017 -0.739 -1.297 1.00 0.00 C ATOM 659 C VAL A 138 75.862 0.439 -0.817 1.00 0.00 C ATOM 660 O VAL A 138 76.075 0.610 0.382 1.00 0.00 O ATOM 661 CB VAL A 138 75.891 -1.743 -2.062 1.00 0.00 C ATOM 662 CG1 VAL A 138 76.993 -2.291 -1.149 1.00 0.00 C ATOM 663 CG2 VAL A 138 75.028 -2.909 -2.551 1.00 0.00 C ATOM 0 H VAL A 138 73.985 -0.568 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 138 74.592 -1.235 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 138 76.345 -1.233 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.605 -3.002 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.618 -1.469 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.541 -2.792 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.651 -3.620 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.570 -3.406 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.248 -2.532 -3.212 1.00 0.00 H new ATOM 673 N SER A 139 76.310 1.271 -1.751 1.00 0.00 N ATOM 674 CA SER A 139 77.187 2.389 -1.407 1.00 0.00 C ATOM 675 C SER A 139 76.563 3.268 -0.324 1.00 0.00 C ATOM 676 O SER A 139 77.258 3.770 0.559 1.00 0.00 O ATOM 677 CB SER A 139 77.465 3.232 -2.651 1.00 0.00 C ATOM 678 OG SER A 139 76.268 3.889 -3.048 1.00 0.00 O ATOM 0 H SER A 139 76.084 1.196 -2.743 1.00 0.00 H new ATOM 0 HA SER A 139 78.121 1.980 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 139 78.244 3.965 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 139 77.832 2.599 -3.459 1.00 0.00 H new ATOM 0 HG SER A 139 75.512 3.272 -2.960 1.00 0.00 H new ATOM 684 N ARG A 140 75.250 3.449 -0.402 1.00 0.00 N ATOM 685 CA ARG A 140 74.538 4.283 0.560 1.00 0.00 C ATOM 686 C ARG A 140 74.427 3.600 1.919 1.00 0.00 C ATOM 687 O ARG A 140 74.853 4.154 2.929 1.00 0.00 O ATOM 688 CB ARG A 140 73.138 4.596 0.026 1.00 0.00 C ATOM 689 CG ARG A 140 72.477 5.668 0.895 1.00 0.00 C ATOM 690 CD ARG A 140 71.055 5.920 0.389 1.00 0.00 C ATOM 691 NE ARG A 140 70.445 7.036 1.119 1.00 0.00 N ATOM 692 CZ ARG A 140 70.573 8.319 0.750 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.278 8.680 -0.297 1.00 0.00 N ATOM 694 NH2 ARG A 140 69.977 9.240 1.456 1.00 0.00 N ATOM 0 H ARG A 140 74.658 3.031 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 140 75.103 5.206 0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.202 4.940 -1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.530 3.692 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.454 5.346 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.057 6.590 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.075 6.142 -0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.452 5.021 0.516 1.00 0.00 H new ATOM 0 HE ARG A 140 69.894 6.825 1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.752 7.974 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.352 9.666 -0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.425 8.979 2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.063 10.221 1.191 1.00 0.00 H new ATOM 708 N PHE A 141 73.899 2.381 1.938 1.00 0.00 N ATOM 709 CA PHE A 141 73.670 1.679 3.198 1.00 0.00 C ATOM 710 C PHE A 141 74.957 1.544 4.017 1.00 0.00 C ATOM 711 O PHE A 141 74.915 1.525 5.248 1.00 0.00 O ATOM 712 CB PHE A 141 73.094 0.291 2.918 1.00 0.00 C ATOM 713 CG PHE A 141 72.735 -0.475 4.170 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.507 -0.244 4.802 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.629 -1.413 4.698 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.173 -0.953 5.963 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.295 -2.121 5.859 1.00 0.00 C ATOM 718 CZ PHE A 141 72.068 -1.891 6.491 1.00 0.00 C ATOM 0 H PHE A 141 73.623 1.862 1.105 1.00 0.00 H new ATOM 0 HA PHE A 141 72.962 2.267 3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.204 0.394 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.819 -0.286 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.818 0.481 4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.576 -1.591 4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.226 -0.776 6.450 1.00 0.00 H new ATOM 0 HE2 PHE A 141 73.985 -2.845 6.267 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.811 -2.437 7.387 1.00 0.00 H new ATOM 728 N GLU A 142 76.096 1.451 3.337 1.00 0.00 N ATOM 729 CA GLU A 142 77.375 1.253 4.015 1.00 0.00 C ATOM 730 C GLU A 142 77.916 2.530 4.667 1.00 0.00 C ATOM 731 O GLU A 142 78.814 2.448 5.503 1.00 0.00 O ATOM 732 CB GLU A 142 78.405 0.725 3.016 1.00 0.00 C ATOM 733 CG GLU A 142 78.006 -0.683 2.563 1.00 0.00 C ATOM 734 CD GLU A 142 79.049 -1.277 1.614 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.797 -0.521 1.011 1.00 0.00 O ATOM 736 OE2 GLU A 142 79.075 -2.491 1.491 1.00 0.00 O ATOM 0 H GLU A 142 76.161 1.509 2.321 1.00 0.00 H new ATOM 0 HA GLU A 142 77.200 0.533 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.467 1.391 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.394 0.704 3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.893 -1.329 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 142 77.037 -0.646 2.065 1.00 0.00 H new ATOM 743 N THR A 143 77.391 3.700 4.297 1.00 0.00 N ATOM 744 CA THR A 143 77.866 4.955 4.875 1.00 0.00 C ATOM 745 C THR A 143 77.210 5.191 6.243 1.00 0.00 C ATOM 746 O THR A 143 76.030 5.536 6.280 1.00 0.00 O ATOM 747 CB THR A 143 77.498 6.112 3.944 1.00 0.00 C ATOM 748 OG1 THR A 143 77.833 5.766 2.607 1.00 0.00 O ATOM 749 CG2 THR A 143 78.268 7.367 4.358 1.00 0.00 C ATOM 0 H THR A 143 76.646 3.803 3.608 1.00 0.00 H new ATOM 0 HA THR A 143 78.948 4.899 4.998 1.00 0.00 H new ATOM 0 HB THR A 143 76.428 6.308 4.011 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.596 6.505 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 143 78.005 8.191 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 143 78.009 7.631 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.339 7.175 4.292 1.00 0.00 H new ATOM 757 N PRO A 144 77.914 5.065 7.353 1.00 0.00 N ATOM 758 CA PRO A 144 77.262 5.169 8.702 1.00 0.00 C ATOM 759 C PRO A 144 76.531 6.495 8.926 1.00 0.00 C ATOM 760 O PRO A 144 75.712 6.606 9.838 1.00 0.00 O ATOM 761 CB PRO A 144 78.413 5.010 9.705 1.00 0.00 C ATOM 762 CG PRO A 144 79.527 4.386 8.939 1.00 0.00 C ATOM 763 CD PRO A 144 79.368 4.865 7.501 1.00 0.00 C ATOM 0 HA PRO A 144 76.488 4.409 8.810 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.711 5.975 10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.116 4.384 10.546 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.494 4.683 9.345 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.478 3.299 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.918 5.789 7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.745 4.129 6.791 1.00 0.00 H new ATOM 771 N GLY A 145 76.822 7.497 8.100 1.00 0.00 N ATOM 772 CA GLY A 145 76.225 8.819 8.271 1.00 0.00 C ATOM 773 C GLY A 145 74.730 8.845 7.942 1.00 0.00 C ATOM 774 O GLY A 145 74.007 9.717 8.424 1.00 0.00 O ATOM 0 H GLY A 145 77.463 7.420 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.371 9.148 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.745 9.532 7.632 1.00 0.00 H new ATOM 778 N ILE A 146 74.263 7.901 7.127 1.00 0.00 N ATOM 779 CA ILE A 146 72.869 7.899 6.692 1.00 0.00 C ATOM 780 C ILE A 146 72.048 6.934 7.544 1.00 0.00 C ATOM 781 O ILE A 146 72.509 5.848 7.897 1.00 0.00 O ATOM 782 CB ILE A 146 72.780 7.515 5.209 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.626 8.487 4.379 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.325 7.589 4.736 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.719 7.997 2.933 1.00 0.00 C ATOM 0 H ILE A 146 74.825 7.134 6.757 1.00 0.00 H new ATOM 0 HA ILE A 146 72.461 8.902 6.818 1.00 0.00 H new ATOM 0 HB ILE A 146 73.151 6.498 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.183 9.482 4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.624 8.571 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.271 7.315 3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.716 6.900 5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.951 8.605 4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.322 8.694 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.183 7.011 2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.719 7.937 2.504 1.00 0.00 H new ATOM 797 N ALA A 147 70.827 7.346 7.866 1.00 0.00 N ATOM 798 CA ALA A 147 69.953 6.560 8.729 1.00 0.00 C ATOM 799 C ALA A 147 69.633 5.196 8.121 1.00 0.00 C ATOM 800 O ALA A 147 69.722 4.991 6.905 1.00 0.00 O ATOM 801 CB ALA A 147 68.653 7.329 8.988 1.00 0.00 C ATOM 0 H ALA A 147 70.419 8.223 7.541 1.00 0.00 H new ATOM 0 HA ALA A 147 70.478 6.391 9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.003 6.738 9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.882 8.277 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.148 7.519 8.041 1.00 0.00 H new ATOM 807 N SER A 148 69.288 4.256 8.996 1.00 0.00 N ATOM 808 CA SER A 148 68.877 2.930 8.560 1.00 0.00 C ATOM 809 C SER A 148 67.777 2.387 9.470 1.00 0.00 C ATOM 810 O SER A 148 67.834 2.528 10.691 1.00 0.00 O ATOM 811 CB SER A 148 70.075 1.979 8.580 1.00 0.00 C ATOM 812 OG SER A 148 70.398 1.663 9.927 1.00 0.00 O ATOM 0 H SER A 148 69.285 4.389 10.007 1.00 0.00 H new ATOM 0 HA SER A 148 68.490 3.004 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.842 1.069 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.930 2.442 8.087 1.00 0.00 H new ATOM 0 HG SER A 148 71.164 1.052 9.945 1.00 0.00 H new ATOM 818 N SER A 149 66.780 1.767 8.853 1.00 0.00 N ATOM 819 CA SER A 149 65.678 1.149 9.582 1.00 0.00 C ATOM 820 C SER A 149 65.549 -0.314 9.156 1.00 0.00 C ATOM 821 O SER A 149 66.110 -0.694 8.128 1.00 0.00 O ATOM 822 CB SER A 149 64.383 1.901 9.267 1.00 0.00 C ATOM 823 OG SER A 149 64.070 1.732 7.892 1.00 0.00 O ATOM 0 H SER A 149 66.711 1.678 7.839 1.00 0.00 H new ATOM 0 HA SER A 149 65.869 1.194 10.654 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.569 1.525 9.887 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.497 2.960 9.499 1.00 0.00 H new ATOM 0 HG SER A 149 64.824 2.035 7.345 1.00 0.00 H new ATOM 829 N PRO A 150 64.853 -1.149 9.899 1.00 0.00 N ATOM 830 CA PRO A 150 64.682 -2.586 9.512 1.00 0.00 C ATOM 831 C PRO A 150 64.315 -2.754 8.037 1.00 0.00 C ATOM 832 O PRO A 150 64.894 -3.581 7.330 1.00 0.00 O ATOM 833 CB PRO A 150 63.554 -3.077 10.420 1.00 0.00 C ATOM 834 CG PRO A 150 63.658 -2.234 11.644 1.00 0.00 C ATOM 835 CD PRO A 150 64.176 -0.870 11.185 1.00 0.00 C ATOM 0 HA PRO A 150 65.606 -3.151 9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.582 -2.961 9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.669 -4.135 10.657 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.688 -2.137 12.133 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.337 -2.684 12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.361 -0.157 11.059 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.865 -0.441 11.912 1.00 0.00 H new ATOM 843 N GLU A 151 63.375 -1.940 7.568 1.00 0.00 N ATOM 844 CA GLU A 151 62.979 -1.982 6.164 1.00 0.00 C ATOM 845 C GLU A 151 64.185 -1.716 5.266 1.00 0.00 C ATOM 846 O GLU A 151 64.402 -2.415 4.276 1.00 0.00 O ATOM 847 CB GLU A 151 61.897 -0.935 5.895 1.00 0.00 C ATOM 848 CG GLU A 151 60.642 -1.274 6.706 1.00 0.00 C ATOM 849 CD GLU A 151 60.072 -2.630 6.292 1.00 0.00 C ATOM 850 OE1 GLU A 151 60.300 -3.042 5.165 1.00 0.00 O ATOM 851 OE2 GLU A 151 59.411 -3.242 7.116 1.00 0.00 O ATOM 0 H GLU A 151 62.878 -1.250 8.132 1.00 0.00 H new ATOM 0 HA GLU A 151 62.584 -2.973 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.261 0.056 6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.659 -0.908 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.884 -1.286 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 151 59.890 -0.499 6.559 1.00 0.00 H new ATOM 858 N CYS A 152 64.984 -0.719 5.633 1.00 0.00 N ATOM 859 CA CYS A 152 66.161 -0.375 4.844 1.00 0.00 C ATOM 860 C CYS A 152 67.111 -1.566 4.752 1.00 0.00 C ATOM 861 O CYS A 152 67.667 -1.848 3.694 1.00 0.00 O ATOM 862 CB CYS A 152 66.895 0.808 5.475 1.00 0.00 C ATOM 863 SG CYS A 152 65.757 2.209 5.629 1.00 0.00 S ATOM 0 H CYS A 152 64.841 -0.141 6.461 1.00 0.00 H new ATOM 0 HA CYS A 152 65.830 -0.103 3.842 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.281 0.529 6.455 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.752 1.087 4.862 1.00 0.00 H new ATOM 0 HG CYS A 152 66.056 3.110 4.741 1.00 0.00 H new ATOM 869 N MET A 153 67.281 -2.272 5.864 1.00 0.00 N ATOM 870 CA MET A 153 68.196 -3.405 5.906 1.00 0.00 C ATOM 871 C MET A 153 67.804 -4.444 4.863 1.00 0.00 C ATOM 872 O MET A 153 68.649 -4.951 4.126 1.00 0.00 O ATOM 873 CB MET A 153 68.176 -4.043 7.297 1.00 0.00 C ATOM 874 CG MET A 153 68.683 -3.045 8.343 1.00 0.00 C ATOM 875 SD MET A 153 69.475 -3.945 9.699 1.00 0.00 S ATOM 876 CE MET A 153 70.933 -4.518 8.790 1.00 0.00 C ATOM 0 H MET A 153 66.800 -2.081 6.743 1.00 0.00 H new ATOM 0 HA MET A 153 69.201 -3.046 5.687 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.163 -4.359 7.546 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.799 -4.937 7.304 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.392 -2.353 7.888 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.854 -2.448 8.723 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.009 -5.602 8.870 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.841 -4.237 7.741 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.828 -4.060 9.211 1.00 0.00 H new ATOM 886 N GLU A 154 66.512 -4.741 4.790 1.00 0.00 N ATOM 887 CA GLU A 154 66.022 -5.721 3.826 1.00 0.00 C ATOM 888 C GLU A 154 66.380 -5.290 2.408 1.00 0.00 C ATOM 889 O GLU A 154 66.880 -6.082 1.609 1.00 0.00 O ATOM 890 CB GLU A 154 64.504 -5.870 3.952 1.00 0.00 C ATOM 891 CG GLU A 154 64.164 -6.488 5.310 1.00 0.00 C ATOM 892 CD GLU A 154 62.663 -6.747 5.404 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.928 -5.792 5.588 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.273 -7.897 5.290 1.00 0.00 O ATOM 0 H GLU A 154 65.791 -4.323 5.379 1.00 0.00 H new ATOM 0 HA GLU A 154 66.494 -6.681 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.023 -4.897 3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.121 -6.499 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.711 -7.421 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.477 -5.819 6.112 1.00 0.00 H new ATOM 901 N LEU A 155 66.147 -4.018 2.110 1.00 0.00 N ATOM 902 CA LEU A 155 66.446 -3.490 0.782 1.00 0.00 C ATOM 903 C LEU A 155 67.926 -3.672 0.454 1.00 0.00 C ATOM 904 O LEU A 155 68.287 -4.068 -0.655 1.00 0.00 O ATOM 905 CB LEU A 155 66.064 -2.006 0.723 1.00 0.00 C ATOM 906 CG LEU A 155 64.562 -1.848 0.992 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.247 -0.386 1.316 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.753 -2.255 -0.243 1.00 0.00 C ATOM 0 H LEU A 155 65.756 -3.338 2.761 1.00 0.00 H new ATOM 0 HA LEU A 155 65.864 -4.039 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.637 -1.444 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.313 -1.595 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 155 64.295 -2.488 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.179 -0.277 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.806 -0.081 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.531 0.243 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.689 -2.137 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.031 -1.621 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 155 63.962 -3.296 -0.488 1.00 0.00 H new ATOM 920 N TYR A 156 68.780 -3.418 1.436 1.00 0.00 N ATOM 921 CA TYR A 156 70.219 -3.561 1.253 1.00 0.00 C ATOM 922 C TYR A 156 70.563 -4.990 0.843 1.00 0.00 C ATOM 923 O TYR A 156 71.322 -5.217 -0.098 1.00 0.00 O ATOM 924 CB TYR A 156 70.925 -3.198 2.563 1.00 0.00 C ATOM 925 CG TYR A 156 72.421 -3.421 2.559 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.235 -2.734 1.652 1.00 0.00 C ATOM 927 CD2 TYR A 156 72.992 -4.310 3.480 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.621 -2.936 1.665 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.377 -4.512 3.490 1.00 0.00 C ATOM 930 CZ TYR A 156 75.191 -3.824 2.583 1.00 0.00 C ATOM 931 OH TYR A 156 76.557 -4.022 2.594 1.00 0.00 O ATOM 0 H TYR A 156 68.502 -3.112 2.368 1.00 0.00 H new ATOM 0 HA TYR A 156 70.554 -2.892 0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.729 -2.150 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.486 -3.784 3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.795 -2.049 0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.364 -4.839 4.181 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.250 -2.406 0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.817 -5.199 4.198 1.00 0.00 H new ATOM 0 HH TYR A 156 76.995 -3.311 2.081 1.00 0.00 H new ATOM 941 N MET A 157 69.976 -5.953 1.541 1.00 0.00 N ATOM 942 CA MET A 157 70.241 -7.358 1.259 1.00 0.00 C ATOM 943 C MET A 157 69.893 -7.686 -0.191 1.00 0.00 C ATOM 944 O MET A 157 70.661 -8.343 -0.894 1.00 0.00 O ATOM 945 CB MET A 157 69.416 -8.234 2.205 1.00 0.00 C ATOM 946 CG MET A 157 69.767 -9.708 1.992 1.00 0.00 C ATOM 947 SD MET A 157 68.838 -10.723 3.169 1.00 0.00 S ATOM 948 CE MET A 157 67.185 -10.366 2.527 1.00 0.00 C ATOM 0 H MET A 157 69.317 -5.789 2.302 1.00 0.00 H new ATOM 0 HA MET A 157 71.302 -7.556 1.413 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.611 -7.951 3.239 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.353 -8.075 2.026 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.529 -10.006 0.971 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.838 -9.862 2.128 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.591 -11.280 2.525 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.702 -9.621 3.159 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.265 -9.982 1.510 1.00 0.00 H new ATOM 958 N GLU A 158 68.745 -7.197 -0.643 1.00 0.00 N ATOM 959 CA GLU A 158 68.289 -7.483 -1.998 1.00 0.00 C ATOM 960 C GLU A 158 69.314 -7.000 -3.017 1.00 0.00 C ATOM 961 O GLU A 158 69.687 -7.732 -3.935 1.00 0.00 O ATOM 962 CB GLU A 158 66.944 -6.800 -2.260 1.00 0.00 C ATOM 963 CG GLU A 158 65.883 -7.384 -1.322 1.00 0.00 C ATOM 964 CD GLU A 158 64.492 -6.822 -1.628 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.398 -5.795 -2.282 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.530 -7.436 -1.197 1.00 0.00 O ATOM 0 H GLU A 158 68.118 -6.606 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 158 68.169 -8.562 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.033 -5.725 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.646 -6.945 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.867 -8.469 -1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.147 -7.161 -0.288 1.00 0.00 H new ATOM 973 N ALA A 159 69.787 -5.772 -2.836 1.00 0.00 N ATOM 974 CA ALA A 159 70.747 -5.198 -3.773 1.00 0.00 C ATOM 975 C ALA A 159 71.999 -6.065 -3.848 1.00 0.00 C ATOM 976 O ALA A 159 72.503 -6.360 -4.931 1.00 0.00 O ATOM 977 CB ALA A 159 71.128 -3.782 -3.343 1.00 0.00 C ATOM 0 H ALA A 159 69.527 -5.162 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 159 70.282 -5.158 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.845 -3.367 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.236 -3.156 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.576 -3.811 -2.350 1.00 0.00 H new ATOM 983 N LEU A 160 72.478 -6.508 -2.689 1.00 0.00 N ATOM 984 CA LEU A 160 73.688 -7.322 -2.634 1.00 0.00 C ATOM 985 C LEU A 160 73.539 -8.564 -3.506 1.00 0.00 C ATOM 986 O LEU A 160 74.454 -8.935 -4.239 1.00 0.00 O ATOM 987 CB LEU A 160 73.968 -7.756 -1.193 1.00 0.00 C ATOM 988 CG LEU A 160 74.348 -6.541 -0.346 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.398 -6.945 1.129 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.724 -6.028 -0.780 1.00 0.00 C ATOM 0 H LEU A 160 72.051 -6.319 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 160 74.518 -6.720 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.087 -8.241 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.775 -8.489 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 160 73.606 -5.755 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.669 -6.080 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.420 -7.313 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.141 -7.731 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 160 75.996 -5.162 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.466 -6.814 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.691 -5.742 -1.831 1.00 0.00 H new ATOM 1002 N GLN A 161 72.377 -9.197 -3.418 1.00 0.00 N ATOM 1003 CA GLN A 161 72.115 -10.393 -4.208 1.00 0.00 C ATOM 1004 C GLN A 161 72.234 -10.079 -5.695 1.00 0.00 C ATOM 1005 O GLN A 161 72.913 -10.785 -6.439 1.00 0.00 O ATOM 1006 CB GLN A 161 70.711 -10.924 -3.906 1.00 0.00 C ATOM 1007 CG GLN A 161 70.629 -11.343 -2.437 1.00 0.00 C ATOM 1008 CD GLN A 161 69.287 -12.011 -2.158 1.00 0.00 C ATOM 1009 OE1 GLN A 161 69.095 -13.182 -2.484 1.00 0.00 O ATOM 1010 NE2 GLN A 161 68.341 -11.332 -1.569 1.00 0.00 N ATOM 0 H GLN A 161 71.608 -8.907 -2.814 1.00 0.00 H new ATOM 0 HA GLN A 161 72.851 -11.152 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.967 -10.156 -4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.485 -11.774 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.442 -12.029 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.751 -10.471 -1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 161 68.502 -10.362 -1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 161 67.441 -11.772 -1.378 1.00 0.00 H new ATOM 1019 N ARG A 162 71.621 -8.979 -6.110 1.00 0.00 N ATOM 1020 CA ARG A 162 71.606 -8.608 -7.522 1.00 0.00 C ATOM 1021 C ARG A 162 73.021 -8.487 -8.077 1.00 0.00 C ATOM 1022 O ARG A 162 73.295 -8.915 -9.199 1.00 0.00 O ATOM 1023 CB ARG A 162 70.880 -7.272 -7.701 1.00 0.00 C ATOM 1024 CG ARG A 162 69.439 -7.378 -7.183 1.00 0.00 C ATOM 1025 CD ARG A 162 68.527 -6.429 -7.966 1.00 0.00 C ATOM 1026 NE ARG A 162 68.301 -6.945 -9.320 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.332 -7.821 -9.625 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.503 -8.289 -8.725 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.211 -8.221 -10.861 1.00 0.00 N ATOM 0 H ARG A 162 71.130 -8.330 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 162 71.084 -9.393 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.411 -6.487 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.876 -6.990 -8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 162 69.083 -8.403 -7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.407 -7.132 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.575 -6.318 -7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.979 -5.438 -8.017 1.00 0.00 H new ATOM 0 HE ARG A 162 68.913 -6.621 -10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.582 -7.988 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 162 65.779 -8.954 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 162 67.847 -7.868 -11.576 1.00 0.00 H new ATOM 0 HH22 ARG A 162 66.480 -8.887 -11.112 1.00 0.00 H new ATOM 1043 N ILE A 163 73.918 -7.906 -7.287 1.00 0.00 N ATOM 1044 CA ILE A 163 75.279 -7.643 -7.761 1.00 0.00 C ATOM 1045 C ILE A 163 76.244 -8.811 -7.524 1.00 0.00 C ATOM 1046 O ILE A 163 77.458 -8.637 -7.631 1.00 0.00 O ATOM 1047 CB ILE A 163 75.827 -6.376 -7.098 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.803 -6.538 -5.575 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.966 -5.177 -7.506 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.610 -5.411 -4.925 1.00 0.00 C ATOM 0 H ILE A 163 73.735 -7.610 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 163 75.210 -7.508 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 163 76.855 -6.211 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.775 -6.518 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.220 -7.505 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.354 -4.274 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 163 74.993 -5.062 -8.590 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.938 -5.341 -7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.591 -5.528 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.641 -5.452 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.173 -4.449 -5.193 1.00 0.00 H new ATOM 1062 N GLY A 164 75.722 -9.993 -7.205 1.00 0.00 N ATOM 1063 CA GLY A 164 76.557 -11.186 -7.080 1.00 0.00 C ATOM 1064 C GLY A 164 77.394 -11.210 -5.798 1.00 0.00 C ATOM 1065 O GLY A 164 78.382 -11.942 -5.722 1.00 0.00 O ATOM 0 H GLY A 164 74.730 -10.151 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.921 -12.070 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.223 -11.247 -7.941 1.00 0.00 H new ATOM 1069 N ARG A 165 77.012 -10.422 -4.796 1.00 0.00 N ATOM 1070 CA ARG A 165 77.713 -10.436 -3.515 1.00 0.00 C ATOM 1071 C ARG A 165 76.980 -11.335 -2.524 1.00 0.00 C ATOM 1072 O ARG A 165 76.153 -10.868 -1.740 1.00 0.00 O ATOM 1073 CB ARG A 165 77.819 -9.018 -2.954 1.00 0.00 C ATOM 1074 CG ARG A 165 78.768 -8.194 -3.829 1.00 0.00 C ATOM 1075 CD ARG A 165 79.029 -6.840 -3.169 1.00 0.00 C ATOM 1076 NE ARG A 165 79.817 -5.984 -4.061 1.00 0.00 N ATOM 1077 CZ ARG A 165 80.426 -4.859 -3.660 1.00 0.00 C ATOM 1078 NH1 ARG A 165 80.364 -4.433 -2.421 1.00 0.00 N ATOM 1079 NH2 ARG A 165 81.103 -4.162 -4.533 1.00 0.00 N ATOM 0 H ARG A 165 76.228 -9.771 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 165 78.718 -10.828 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.834 -8.551 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.186 -9.048 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.707 -8.729 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.334 -8.050 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 165 78.082 -6.355 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.560 -6.983 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 165 79.907 -6.259 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 165 79.839 -4.963 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 165 80.841 -3.572 -2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 165 81.162 -4.476 -5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 165 81.573 -3.303 -4.246 1.00 0.00 H new