USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 149 SER OG : rot 180:sc= 1.05 USER MOD Set 1.2: A 152 CYS SG : rot 80:sc= 0.967 USER MOD Single : A 103 MET CE :methyl 131:sc= -0.129 (180deg=-0.993) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.15) USER MOD Single : A 112 ASN : amide:sc= -1.03 K(o=-1,f=-3.8!) USER MOD Single : A 113 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.675) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0.507 K(o=0.51,f=-5.4!) 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 90:sc= -0.0997 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 81:sc= 0.246 USER MOD Single : A 143 THR OG1 : rot 73:sc= 0.188 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -125:sc= -0.362 (180deg=-3.07!) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 139:sc= -0.195 (180deg=-1.35!) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.212 10.829 -11.079 1.00 0.00 N ATOM 101 CA MET A 103 59.875 10.305 -9.758 1.00 0.00 C ATOM 102 C MET A 103 61.133 10.041 -8.936 1.00 0.00 C ATOM 103 O MET A 103 61.254 10.498 -7.799 1.00 0.00 O ATOM 104 CB MET A 103 59.076 9.007 -9.902 1.00 0.00 C ATOM 105 CG MET A 103 57.722 9.308 -10.547 1.00 0.00 C ATOM 106 SD MET A 103 56.709 7.809 -10.551 1.00 0.00 S ATOM 107 CE MET A 103 56.351 7.771 -8.778 1.00 0.00 C ATOM 0 HA MET A 103 59.274 11.052 -9.240 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.630 8.293 -10.511 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.931 8.547 -8.925 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.214 10.101 -9.998 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.864 9.666 -11.567 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.281 7.631 -8.626 1.00 0.00 H new ATOM 0 HE2 MET A 103 56.894 6.947 -8.315 1.00 0.00 H new ATOM 0 HE3 MET A 103 56.662 8.712 -8.324 1.00 0.00 H new ATOM 117 N LEU A 104 62.082 9.322 -9.528 1.00 0.00 N ATOM 118 CA LEU A 104 63.318 8.981 -8.830 1.00 0.00 C ATOM 119 C LEU A 104 64.020 10.235 -8.316 1.00 0.00 C ATOM 120 O LEU A 104 64.421 10.301 -7.156 1.00 0.00 O ATOM 121 CB LEU A 104 64.262 8.225 -9.770 1.00 0.00 C ATOM 122 CG LEU A 104 63.634 6.894 -10.186 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.497 6.238 -11.267 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.553 5.963 -8.973 1.00 0.00 C ATOM 0 H LEU A 104 62.021 8.966 -10.482 1.00 0.00 H new ATOM 0 HA LEU A 104 63.060 8.349 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.470 8.830 -10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.216 8.047 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 104 62.632 7.075 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 104 64.050 5.289 -11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.558 6.897 -12.133 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.498 6.060 -10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 104 63.105 5.015 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.555 5.784 -8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.941 6.426 -8.199 1.00 0.00 H new ATOM 136 N ALA A 105 64.142 11.240 -9.177 1.00 0.00 N ATOM 137 CA ALA A 105 64.879 12.448 -8.821 1.00 0.00 C ATOM 138 C ALA A 105 64.258 13.148 -7.617 1.00 0.00 C ATOM 139 O ALA A 105 64.956 13.486 -6.664 1.00 0.00 O ATOM 140 CB ALA A 105 64.915 13.408 -10.011 1.00 0.00 C ATOM 0 H ALA A 105 63.745 11.244 -10.117 1.00 0.00 H new ATOM 0 HA ALA A 105 65.894 12.152 -8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.467 14.307 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.407 12.924 -10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 105 63.897 13.679 -10.291 1.00 0.00 H new ATOM 146 N THR A 106 62.944 13.355 -7.648 1.00 0.00 N ATOM 147 CA THR A 106 62.263 14.051 -6.558 1.00 0.00 C ATOM 148 C THR A 106 62.562 13.397 -5.211 1.00 0.00 C ATOM 149 O THR A 106 63.004 14.060 -4.270 1.00 0.00 O ATOM 150 CB THR A 106 60.752 14.047 -6.803 1.00 0.00 C ATOM 151 OG1 THR A 106 60.484 14.556 -8.101 1.00 0.00 O ATOM 152 CG2 THR A 106 60.061 14.923 -5.757 1.00 0.00 C ATOM 0 H THR A 106 62.334 13.054 -8.408 1.00 0.00 H new ATOM 0 HA THR A 106 62.631 15.077 -6.531 1.00 0.00 H new ATOM 0 HB THR A 106 60.374 13.028 -6.726 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.517 14.553 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 106 58.985 14.919 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.267 14.532 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.437 15.943 -5.831 1.00 0.00 H new ATOM 160 N ARG A 107 62.342 12.089 -5.128 1.00 0.00 N ATOM 161 CA ARG A 107 62.570 11.370 -3.880 1.00 0.00 C ATOM 162 C ARG A 107 64.011 11.547 -3.405 1.00 0.00 C ATOM 163 O ARG A 107 64.250 11.824 -2.229 1.00 0.00 O ATOM 164 CB ARG A 107 62.261 9.883 -4.068 1.00 0.00 C ATOM 165 CG ARG A 107 60.806 9.715 -4.517 1.00 0.00 C ATOM 166 CD ARG A 107 59.864 10.046 -3.358 1.00 0.00 C ATOM 167 NE ARG A 107 58.485 9.697 -3.711 1.00 0.00 N ATOM 168 CZ ARG A 107 57.410 10.292 -3.172 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.513 11.247 -2.279 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.221 9.908 -3.551 1.00 0.00 N ATOM 0 H ARG A 107 62.010 11.511 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 107 61.905 11.782 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 107 62.933 9.452 -4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.429 9.345 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.599 10.369 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.636 8.693 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.168 9.499 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 107 59.928 11.108 -3.119 1.00 0.00 H new ATOM 0 HE ARG A 107 58.335 8.963 -4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.434 11.561 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 107 56.672 11.676 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.121 9.168 -4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.392 10.348 -3.153 1.00 0.00 H new ATOM 184 N GLU A 108 64.968 11.412 -4.320 1.00 0.00 N ATOM 185 CA GLU A 108 66.374 11.541 -3.952 1.00 0.00 C ATOM 186 C GLU A 108 66.650 12.923 -3.368 1.00 0.00 C ATOM 187 O GLU A 108 67.393 13.051 -2.399 1.00 0.00 O ATOM 188 CB GLU A 108 67.269 11.298 -5.171 1.00 0.00 C ATOM 189 CG GLU A 108 68.745 11.329 -4.746 1.00 0.00 C ATOM 190 CD GLU A 108 69.683 10.997 -5.910 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.225 10.911 -7.041 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.864 10.833 -5.649 1.00 0.00 O ATOM 0 H GLU A 108 64.799 11.216 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 108 66.600 10.791 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.031 10.335 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.083 12.060 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 108 68.989 12.316 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 108 68.905 10.616 -3.937 1.00 0.00 H new ATOM 199 N GLN A 109 66.047 13.951 -3.953 1.00 0.00 N ATOM 200 CA GLN A 109 66.278 15.316 -3.496 1.00 0.00 C ATOM 201 C GLN A 109 65.895 15.454 -2.030 1.00 0.00 C ATOM 202 O GLN A 109 66.645 16.015 -1.233 1.00 0.00 O ATOM 203 CB GLN A 109 65.462 16.298 -4.340 1.00 0.00 C ATOM 204 CG GLN A 109 65.852 17.732 -3.976 1.00 0.00 C ATOM 205 CD GLN A 109 67.218 18.065 -4.564 1.00 0.00 C ATOM 206 OE1 GLN A 109 67.383 18.085 -5.783 1.00 0.00 O ATOM 207 NE2 GLN A 109 68.215 18.331 -3.765 1.00 0.00 N ATOM 0 H GLN A 109 65.400 13.867 -4.737 1.00 0.00 H new ATOM 0 HA GLN A 109 67.338 15.545 -3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 109 65.642 16.119 -5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 109 64.397 16.145 -4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 109 65.104 18.429 -4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 109 65.875 17.848 -2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 109 68.077 18.314 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 109 69.132 18.556 -4.151 1.00 0.00 H new ATOM 216 N GLU A 110 64.736 14.913 -1.672 1.00 0.00 N ATOM 217 CA GLU A 110 64.266 14.999 -0.294 1.00 0.00 C ATOM 218 C GLU A 110 65.254 14.325 0.651 1.00 0.00 C ATOM 219 O GLU A 110 65.626 14.884 1.682 1.00 0.00 O ATOM 220 CB GLU A 110 62.893 14.336 -0.163 1.00 0.00 C ATOM 221 CG GLU A 110 61.872 15.096 -1.015 1.00 0.00 C ATOM 222 CD GLU A 110 60.464 14.521 -0.844 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.340 13.378 -0.428 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.522 15.239 -1.133 1.00 0.00 O ATOM 0 H GLU A 110 64.111 14.416 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 110 64.183 16.052 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 110 62.948 13.296 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.579 14.331 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 110 61.873 16.149 -0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.162 15.046 -2.064 1.00 0.00 H new ATOM 231 N ALA A 111 65.701 13.132 0.278 1.00 0.00 N ATOM 232 CA ALA A 111 66.633 12.383 1.112 1.00 0.00 C ATOM 233 C ALA A 111 67.917 13.179 1.326 1.00 0.00 C ATOM 234 O ALA A 111 68.390 13.323 2.452 1.00 0.00 O ATOM 235 CB ALA A 111 66.965 11.043 0.453 1.00 0.00 C ATOM 0 H ALA A 111 65.436 12.665 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 111 66.163 12.204 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.662 10.490 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.051 10.463 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.419 11.220 -0.522 1.00 0.00 H new ATOM 241 N ASN A 112 68.467 13.706 0.238 1.00 0.00 N ATOM 242 CA ASN A 112 69.721 14.447 0.311 1.00 0.00 C ATOM 243 C ASN A 112 69.592 15.646 1.243 1.00 0.00 C ATOM 244 O ASN A 112 70.503 15.943 2.015 1.00 0.00 O ATOM 245 CB ASN A 112 70.128 14.925 -1.084 1.00 0.00 C ATOM 246 CG ASN A 112 70.538 13.734 -1.944 1.00 0.00 C ATOM 247 OD1 ASN A 112 69.847 12.715 -1.967 1.00 0.00 O ATOM 248 ND2 ASN A 112 71.629 13.800 -2.659 1.00 0.00 N ATOM 0 H ASN A 112 68.068 13.635 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 112 70.487 13.780 0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 112 69.298 15.454 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 112 70.955 15.631 -1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 112 71.909 13.007 -3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 112 72.201 14.644 -2.640 1.00 0.00 H new ATOM 255 N LYS A 113 68.457 16.334 1.169 1.00 0.00 N ATOM 256 CA LYS A 113 68.229 17.501 2.013 1.00 0.00 C ATOM 257 C LYS A 113 68.313 17.106 3.483 1.00 0.00 C ATOM 258 O LYS A 113 68.959 17.778 4.285 1.00 0.00 O ATOM 259 CB LYS A 113 66.853 18.100 1.718 1.00 0.00 C ATOM 260 CG LYS A 113 66.682 19.402 2.503 1.00 0.00 C ATOM 261 CD LYS A 113 65.275 19.956 2.274 1.00 0.00 C ATOM 262 CE LYS A 113 65.149 21.328 2.937 1.00 0.00 C ATOM 263 NZ LYS A 113 66.081 22.285 2.277 1.00 0.00 N ATOM 0 H LYS A 113 67.687 16.106 0.539 1.00 0.00 H new ATOM 0 HA LYS A 113 68.996 18.245 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.750 18.291 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.071 17.392 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 113 66.845 19.222 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.427 20.131 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 113 65.075 20.038 1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 113 64.533 19.272 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 113 64.124 21.689 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 113 65.380 21.253 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 65.727 23.255 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 67.025 22.203 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 66.142 22.066 1.262 1.00 0.00 H new ATOM 277 N ASP A 114 67.649 16.004 3.822 1.00 0.00 N ATOM 278 CA ASP A 114 67.687 15.477 5.182 1.00 0.00 C ATOM 279 C ASP A 114 68.116 14.013 5.171 1.00 0.00 C ATOM 280 O ASP A 114 67.368 13.137 4.739 1.00 0.00 O ATOM 281 CB ASP A 114 66.304 15.599 5.826 1.00 0.00 C ATOM 282 CG ASP A 114 66.389 15.262 7.311 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.680 16.158 8.086 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.163 14.113 7.651 1.00 0.00 O ATOM 0 H ASP A 114 67.079 15.460 3.174 1.00 0.00 H new ATOM 0 HA ASP A 114 68.409 16.055 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 114 65.921 16.611 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.603 14.927 5.332 1.00 0.00 H new ATOM 289 N LEU A 115 69.333 13.752 5.639 1.00 0.00 N ATOM 290 CA LEU A 115 69.833 12.379 5.709 1.00 0.00 C ATOM 291 C LEU A 115 69.583 11.721 7.073 1.00 0.00 C ATOM 292 O LEU A 115 69.761 10.512 7.208 1.00 0.00 O ATOM 293 CB LEU A 115 71.335 12.347 5.406 1.00 0.00 C ATOM 294 CG LEU A 115 71.592 12.768 3.955 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.098 12.930 3.734 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.061 11.695 3.001 1.00 0.00 C ATOM 0 H LEU A 115 69.986 14.462 5.972 1.00 0.00 H new ATOM 0 HA LEU A 115 69.280 11.810 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.865 13.015 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.726 11.344 5.576 1.00 0.00 H new ATOM 0 HG LEU A 115 71.083 13.712 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.284 13.229 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.485 13.693 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.599 11.983 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.247 12.000 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.569 10.751 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 115 69.989 11.570 3.155 1.00 0.00 H new ATOM 308 N THR A 116 69.189 12.499 8.084 1.00 0.00 N ATOM 309 CA THR A 116 68.967 11.949 9.420 1.00 0.00 C ATOM 310 C THR A 116 67.512 11.520 9.657 1.00 0.00 C ATOM 311 O THR A 116 67.117 11.304 10.803 1.00 0.00 O ATOM 312 CB THR A 116 69.358 12.990 10.472 1.00 0.00 C ATOM 313 OG1 THR A 116 68.549 14.146 10.313 1.00 0.00 O ATOM 314 CG2 THR A 116 70.831 13.368 10.298 1.00 0.00 C ATOM 0 H THR A 116 69.019 13.501 8.003 1.00 0.00 H new ATOM 0 HA THR A 116 69.588 11.057 9.503 1.00 0.00 H new ATOM 0 HB THR A 116 69.208 12.574 11.468 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.796 14.813 10.987 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.107 14.109 11.048 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.451 12.480 10.420 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.985 13.784 9.302 1.00 0.00 H new ATOM 322 N SER A 117 66.715 11.396 8.596 1.00 0.00 N ATOM 323 CA SER A 117 65.327 10.962 8.735 1.00 0.00 C ATOM 324 C SER A 117 65.159 9.539 8.191 1.00 0.00 C ATOM 325 O SER A 117 64.934 9.376 6.990 1.00 0.00 O ATOM 326 CB SER A 117 64.418 11.908 7.949 1.00 0.00 C ATOM 327 OG SER A 117 63.112 11.349 7.878 1.00 0.00 O ATOM 0 H SER A 117 67.005 11.589 7.637 1.00 0.00 H new ATOM 0 HA SER A 117 65.057 10.976 9.791 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.383 12.884 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.815 12.064 6.946 1.00 0.00 H new ATOM 0 HG SER A 117 62.525 11.952 7.376 1.00 0.00 H new ATOM 333 N PRO A 118 65.232 8.513 9.017 1.00 0.00 N ATOM 334 CA PRO A 118 65.178 7.104 8.516 1.00 0.00 C ATOM 335 C PRO A 118 64.026 6.858 7.547 1.00 0.00 C ATOM 336 O PRO A 118 64.168 6.092 6.597 1.00 0.00 O ATOM 337 CB PRO A 118 65.013 6.257 9.778 1.00 0.00 C ATOM 338 CG PRO A 118 65.603 7.073 10.875 1.00 0.00 C ATOM 339 CD PRO A 118 65.395 8.536 10.486 1.00 0.00 C ATOM 0 HA PRO A 118 66.075 6.859 7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.963 6.038 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.525 5.300 9.680 1.00 0.00 H new ATOM 0 HG2 PRO A 118 65.119 6.852 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.663 6.851 10.997 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.516 8.955 10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.247 9.149 10.781 1.00 0.00 H new ATOM 347 N ASP A 119 62.894 7.518 7.774 1.00 0.00 N ATOM 348 CA ASP A 119 61.737 7.340 6.901 1.00 0.00 C ATOM 349 C ASP A 119 62.094 7.685 5.458 1.00 0.00 C ATOM 350 O ASP A 119 61.929 6.865 4.553 1.00 0.00 O ATOM 351 CB ASP A 119 60.583 8.228 7.371 1.00 0.00 C ATOM 352 CG ASP A 119 60.123 7.800 8.761 1.00 0.00 C ATOM 353 OD1 ASP A 119 60.153 6.611 9.035 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.748 8.668 9.532 1.00 0.00 O ATOM 0 H ASP A 119 62.753 8.172 8.544 1.00 0.00 H new ATOM 0 HA ASP A 119 61.431 6.295 6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.901 9.270 7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.753 8.161 6.668 1.00 0.00 H new ATOM 359 N ALA A 120 62.608 8.892 5.250 1.00 0.00 N ATOM 360 CA ALA A 120 62.968 9.330 3.906 1.00 0.00 C ATOM 361 C ALA A 120 63.985 8.380 3.286 1.00 0.00 C ATOM 362 O ALA A 120 63.869 8.018 2.115 1.00 0.00 O ATOM 363 CB ALA A 120 63.544 10.747 3.944 1.00 0.00 C ATOM 0 H ALA A 120 62.783 9.578 5.985 1.00 0.00 H new ATOM 0 HA ALA A 120 62.065 9.327 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.808 11.060 2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.801 11.431 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.435 10.761 4.572 1.00 0.00 H new ATOM 369 N GLN A 121 64.963 7.947 4.081 1.00 0.00 N ATOM 370 CA GLN A 121 65.991 7.044 3.565 1.00 0.00 C ATOM 371 C GLN A 121 65.342 5.766 3.051 1.00 0.00 C ATOM 372 O GLN A 121 65.612 5.331 1.935 1.00 0.00 O ATOM 373 CB GLN A 121 67.045 6.673 4.625 1.00 0.00 C ATOM 374 CG GLN A 121 67.453 7.861 5.516 1.00 0.00 C ATOM 375 CD GLN A 121 67.767 9.118 4.704 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.687 9.122 3.885 1.00 0.00 O ATOM 377 NE2 GLN A 121 67.037 10.186 4.882 1.00 0.00 N ATOM 0 H GLN A 121 65.065 8.200 5.064 1.00 0.00 H new ATOM 0 HA GLN A 121 66.500 7.574 2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.653 5.873 5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.931 6.281 4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.649 8.077 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.327 7.586 6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.277 10.176 5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.227 11.030 4.341 1.00 0.00 H new ATOM 386 N ALA A 122 64.422 5.209 3.837 1.00 0.00 N ATOM 387 CA ALA A 122 63.787 3.939 3.497 1.00 0.00 C ATOM 388 C ALA A 122 63.172 4.008 2.105 1.00 0.00 C ATOM 389 O ALA A 122 63.396 3.136 1.267 1.00 0.00 O ATOM 390 CB ALA A 122 62.706 3.603 4.525 1.00 0.00 C ATOM 0 H ALA A 122 64.100 5.618 4.714 1.00 0.00 H new ATOM 0 HA ALA A 122 64.547 3.157 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.238 2.654 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.157 3.525 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.952 4.390 4.531 1.00 0.00 H new ATOM 396 N ALA A 123 62.440 5.087 1.852 1.00 0.00 N ATOM 397 CA ALA A 123 61.797 5.259 0.554 1.00 0.00 C ATOM 398 C ALA A 123 62.843 5.262 -0.558 1.00 0.00 C ATOM 399 O ALA A 123 62.684 4.596 -1.580 1.00 0.00 O ATOM 400 CB ALA A 123 61.010 6.571 0.526 1.00 0.00 C ATOM 0 H ALA A 123 62.278 5.844 2.516 1.00 0.00 H new ATOM 0 HA ALA A 123 61.111 4.427 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.534 6.689 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.246 6.554 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.688 7.406 0.702 1.00 0.00 H new ATOM 406 N PHE A 124 63.930 5.995 -0.341 1.00 0.00 N ATOM 407 CA PHE A 124 64.989 6.090 -1.342 1.00 0.00 C ATOM 408 C PHE A 124 65.551 4.710 -1.669 1.00 0.00 C ATOM 409 O PHE A 124 65.744 4.365 -2.834 1.00 0.00 O ATOM 410 CB PHE A 124 66.110 6.994 -0.828 1.00 0.00 C ATOM 411 CG PHE A 124 67.171 7.288 -1.864 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.801 7.624 -3.172 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.525 7.227 -1.513 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.785 7.897 -4.130 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.509 7.500 -2.471 1.00 0.00 C ATOM 416 CZ PHE A 124 69.139 7.835 -3.779 1.00 0.00 C ATOM 0 H PHE A 124 64.101 6.528 0.511 1.00 0.00 H new ATOM 0 HA PHE A 124 64.565 6.516 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.679 7.934 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.578 6.523 0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.756 7.673 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.810 6.969 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.500 8.155 -5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.554 7.452 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.898 8.046 -4.518 1.00 0.00 H new ATOM 426 N TYR A 125 65.790 3.910 -0.635 1.00 0.00 N ATOM 427 CA TYR A 125 66.357 2.577 -0.823 1.00 0.00 C ATOM 428 C TYR A 125 65.465 1.753 -1.749 1.00 0.00 C ATOM 429 O TYR A 125 65.936 1.123 -2.696 1.00 0.00 O ATOM 430 CB TYR A 125 66.482 1.856 0.524 1.00 0.00 C ATOM 431 CG TYR A 125 67.598 2.357 1.417 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.928 2.016 1.149 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.297 3.152 2.527 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.954 2.475 1.991 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.317 3.612 3.367 1.00 0.00 C ATOM 436 CZ TYR A 125 69.647 3.275 3.102 1.00 0.00 C ATOM 437 OH TYR A 125 70.652 3.731 3.935 1.00 0.00 O ATOM 0 H TYR A 125 65.602 4.158 0.336 1.00 0.00 H new ATOM 0 HA TYR A 125 67.346 2.685 -1.268 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.538 1.952 1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.636 0.793 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.166 1.400 0.295 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.270 3.413 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.981 2.212 1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 125 68.076 4.228 4.221 1.00 0.00 H new ATOM 0 HH TYR A 125 70.262 4.272 4.653 1.00 0.00 H new ATOM 447 N LYS A 126 64.166 1.788 -1.480 1.00 0.00 N ATOM 448 CA LYS A 126 63.211 1.016 -2.266 1.00 0.00 C ATOM 449 C LYS A 126 63.283 1.408 -3.737 1.00 0.00 C ATOM 450 O LYS A 126 63.330 0.552 -4.618 1.00 0.00 O ATOM 451 CB LYS A 126 61.794 1.262 -1.740 1.00 0.00 C ATOM 452 CG LYS A 126 61.685 0.783 -0.285 1.00 0.00 C ATOM 453 CD LYS A 126 60.257 0.326 0.014 1.00 0.00 C ATOM 454 CE LYS A 126 60.162 -0.137 1.469 1.00 0.00 C ATOM 455 NZ LYS A 126 59.940 1.043 2.351 1.00 0.00 N ATOM 0 H LYS A 126 63.751 2.339 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 126 63.460 -0.041 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.553 2.323 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 126 61.070 0.734 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.381 -0.038 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.966 1.589 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.558 1.143 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.976 -0.487 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 126 59.344 -0.849 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 126 61.077 -0.654 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 59.875 0.730 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 60.734 1.707 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 59.055 1.518 2.080 1.00 0.00 H new ATOM 469 N LEU A 127 63.311 2.710 -3.991 1.00 0.00 N ATOM 470 CA LEU A 127 63.342 3.204 -5.362 1.00 0.00 C ATOM 471 C LEU A 127 64.560 2.661 -6.098 1.00 0.00 C ATOM 472 O LEU A 127 64.456 2.203 -7.234 1.00 0.00 O ATOM 473 CB LEU A 127 63.384 4.732 -5.365 1.00 0.00 C ATOM 474 CG LEU A 127 62.132 5.277 -4.679 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.336 6.758 -4.356 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.930 5.120 -5.613 1.00 0.00 C ATOM 0 H LEU A 127 63.313 3.436 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 127 62.440 2.864 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.277 5.083 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.442 5.103 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 127 61.950 4.724 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.444 7.150 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.193 6.871 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.516 7.310 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 127 60.036 5.508 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.110 5.674 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.786 4.065 -5.847 1.00 0.00 H new ATOM 488 N LEU A 128 65.710 2.689 -5.434 1.00 0.00 N ATOM 489 CA LEU A 128 66.950 2.262 -6.070 1.00 0.00 C ATOM 490 C LEU A 128 66.869 0.801 -6.499 1.00 0.00 C ATOM 491 O LEU A 128 67.338 0.445 -7.579 1.00 0.00 O ATOM 492 CB LEU A 128 68.133 2.460 -5.119 1.00 0.00 C ATOM 493 CG LEU A 128 68.607 3.913 -5.181 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.541 4.197 -4.001 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.359 4.148 -6.494 1.00 0.00 C ATOM 0 H LEU A 128 65.810 2.999 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 128 67.100 2.875 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.840 2.206 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.948 1.790 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 128 67.745 4.579 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.879 5.232 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 128 69.007 4.029 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.403 3.532 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.697 5.183 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.221 3.482 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.695 3.946 -7.335 1.00 0.00 H new ATOM 507 N LEU A 129 66.288 -0.044 -5.652 1.00 0.00 N ATOM 508 CA LEU A 129 66.165 -1.459 -5.987 1.00 0.00 C ATOM 509 C LEU A 129 65.256 -1.650 -7.198 1.00 0.00 C ATOM 510 O LEU A 129 65.610 -2.351 -8.145 1.00 0.00 O ATOM 511 CB LEU A 129 65.609 -2.244 -4.798 1.00 0.00 C ATOM 512 CG LEU A 129 66.741 -2.554 -3.816 1.00 0.00 C ATOM 513 CD1 LEU A 129 66.153 -3.016 -2.481 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.629 -3.659 -4.395 1.00 0.00 C ATOM 0 H LEU A 129 65.902 0.219 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 129 67.159 -1.835 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.830 -1.667 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 129 65.149 -3.170 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 129 67.337 -1.655 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.962 -3.236 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.523 -2.228 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.555 -3.914 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.436 -3.881 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 129 67.033 -4.557 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 129 68.051 -3.327 -5.343 1.00 0.00 H new ATOM 526 N GLN A 130 64.114 -0.974 -7.194 1.00 0.00 N ATOM 527 CA GLN A 130 63.150 -1.120 -8.279 1.00 0.00 C ATOM 528 C GLN A 130 63.772 -0.742 -9.620 1.00 0.00 C ATOM 529 O GLN A 130 63.525 -1.396 -10.633 1.00 0.00 O ATOM 530 CB GLN A 130 61.931 -0.234 -8.014 1.00 0.00 C ATOM 531 CG GLN A 130 61.204 -0.723 -6.759 1.00 0.00 C ATOM 532 CD GLN A 130 60.039 0.207 -6.427 1.00 0.00 C ATOM 533 OE1 GLN A 130 60.029 1.369 -6.833 1.00 0.00 O ATOM 534 NE2 GLN A 130 59.047 -0.240 -5.706 1.00 0.00 N ATOM 0 H GLN A 130 63.834 -0.325 -6.459 1.00 0.00 H new ATOM 0 HA GLN A 130 62.843 -2.165 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.243 0.802 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.257 -0.260 -8.870 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.836 -1.737 -6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.898 -0.762 -5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 130 59.055 -1.203 -5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.264 0.373 -5.479 1.00 0.00 H new ATOM 543 N SER A 131 64.578 0.314 -9.620 1.00 0.00 N ATOM 544 CA SER A 131 65.171 0.809 -10.862 1.00 0.00 C ATOM 545 C SER A 131 66.474 0.093 -11.236 1.00 0.00 C ATOM 546 O SER A 131 67.234 0.599 -12.062 1.00 0.00 O ATOM 547 CB SER A 131 65.439 2.309 -10.732 1.00 0.00 C ATOM 548 OG SER A 131 64.200 3.000 -10.650 1.00 0.00 O ATOM 0 H SER A 131 64.835 0.840 -8.785 1.00 0.00 H new ATOM 0 HA SER A 131 64.455 0.607 -11.659 1.00 0.00 H new ATOM 0 HB2 SER A 131 66.039 2.508 -9.844 1.00 0.00 H new ATOM 0 HB3 SER A 131 66.011 2.664 -11.589 1.00 0.00 H new ATOM 0 HG SER A 131 63.929 3.075 -9.711 1.00 0.00 H new ATOM 554 N ASN A 132 66.746 -1.069 -10.639 1.00 0.00 N ATOM 555 CA ASN A 132 67.929 -1.845 -10.995 1.00 0.00 C ATOM 556 C ASN A 132 69.204 -1.053 -10.700 1.00 0.00 C ATOM 557 O ASN A 132 70.087 -0.915 -11.551 1.00 0.00 O ATOM 558 CB ASN A 132 67.868 -2.240 -12.475 1.00 0.00 C ATOM 559 CG ASN A 132 66.578 -3.000 -12.760 1.00 0.00 C ATOM 560 OD1 ASN A 132 66.161 -3.839 -11.961 1.00 0.00 O ATOM 561 ND2 ASN A 132 65.916 -2.757 -13.857 1.00 0.00 N ATOM 0 H ASN A 132 66.166 -1.489 -9.912 1.00 0.00 H new ATOM 0 HA ASN A 132 67.949 -2.751 -10.390 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.920 -1.349 -13.100 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.728 -2.859 -12.730 1.00 0.00 H new ATOM 0 HD21 ASN A 132 65.052 -3.262 -14.054 1.00 0.00 H new ATOM 0 HD22 ASN A 132 66.262 -2.062 -14.518 1.00 0.00 H new ATOM 568 N TYR A 133 69.298 -0.535 -9.479 1.00 0.00 N ATOM 569 CA TYR A 133 70.487 0.203 -9.051 1.00 0.00 C ATOM 570 C TYR A 133 71.083 -0.396 -7.763 1.00 0.00 C ATOM 571 O TYR A 133 71.441 0.341 -6.837 1.00 0.00 O ATOM 572 CB TYR A 133 70.104 1.669 -8.814 1.00 0.00 C ATOM 573 CG TYR A 133 69.956 2.487 -10.075 1.00 0.00 C ATOM 574 CD1 TYR A 133 71.066 3.154 -10.607 1.00 0.00 C ATOM 575 CD2 TYR A 133 68.710 2.592 -10.701 1.00 0.00 C ATOM 576 CE1 TYR A 133 70.929 3.923 -11.769 1.00 0.00 C ATOM 577 CE2 TYR A 133 68.572 3.362 -11.863 1.00 0.00 C ATOM 578 CZ TYR A 133 69.682 4.026 -12.398 1.00 0.00 C ATOM 579 OH TYR A 133 69.546 4.785 -13.541 1.00 0.00 O ATOM 0 H TYR A 133 68.569 -0.611 -8.769 1.00 0.00 H new ATOM 0 HA TYR A 133 71.243 0.133 -9.833 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.165 1.702 -8.262 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.862 2.132 -8.182 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.027 3.075 -10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 133 67.854 2.079 -10.288 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.785 4.437 -12.180 1.00 0.00 H new ATOM 0 HE2 TYR A 133 67.609 3.443 -12.346 1.00 0.00 H new ATOM 0 HH TYR A 133 68.616 4.749 -13.849 1.00 0.00 H new ATOM 589 N PRO A 134 71.296 -1.696 -7.701 1.00 0.00 N ATOM 590 CA PRO A 134 71.781 -2.344 -6.441 1.00 0.00 C ATOM 591 C PRO A 134 73.085 -1.717 -5.953 1.00 0.00 C ATOM 592 O PRO A 134 73.267 -1.484 -4.758 1.00 0.00 O ATOM 593 CB PRO A 134 71.972 -3.820 -6.807 1.00 0.00 C ATOM 594 CG PRO A 134 72.040 -3.856 -8.295 1.00 0.00 C ATOM 595 CD PRO A 134 71.188 -2.689 -8.787 1.00 0.00 C ATOM 0 HA PRO A 134 71.075 -2.215 -5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.884 -4.220 -6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 134 71.145 -4.426 -6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 134 73.069 -3.760 -8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.662 -4.803 -8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.560 -2.292 -9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.154 -2.990 -8.953 1.00 0.00 H new ATOM 603 N GLN A 135 73.984 -1.420 -6.886 1.00 0.00 N ATOM 604 CA GLN A 135 75.272 -0.830 -6.533 1.00 0.00 C ATOM 605 C GLN A 135 75.086 0.452 -5.724 1.00 0.00 C ATOM 606 O GLN A 135 75.824 0.709 -4.773 1.00 0.00 O ATOM 607 CB GLN A 135 76.071 -0.524 -7.800 1.00 0.00 C ATOM 608 CG GLN A 135 77.483 -0.075 -7.420 1.00 0.00 C ATOM 609 CD GLN A 135 78.232 0.399 -8.660 1.00 0.00 C ATOM 610 OE1 GLN A 135 77.776 1.309 -9.353 1.00 0.00 O ATOM 611 NE2 GLN A 135 79.363 -0.167 -8.984 1.00 0.00 N ATOM 0 H GLN A 135 73.847 -1.576 -7.885 1.00 0.00 H new ATOM 0 HA GLN A 135 75.817 -1.549 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 135 76.118 -1.409 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 135 75.573 0.256 -8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 135 77.432 0.729 -6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 135 78.022 -0.899 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 135 79.739 -0.921 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 135 79.870 0.144 -9.812 1.00 0.00 H new ATOM 620 N TYR A 136 74.075 1.241 -6.079 1.00 0.00 N ATOM 621 CA TYR A 136 73.824 2.500 -5.388 1.00 0.00 C ATOM 622 C TYR A 136 73.346 2.233 -3.965 1.00 0.00 C ATOM 623 O TYR A 136 73.784 2.884 -3.018 1.00 0.00 O ATOM 624 CB TYR A 136 72.766 3.309 -6.141 1.00 0.00 C ATOM 625 CG TYR A 136 73.312 4.041 -7.344 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.172 3.386 -8.233 1.00 0.00 C ATOM 627 CD2 TYR A 136 72.957 5.377 -7.570 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.677 4.066 -9.348 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.462 6.056 -8.685 1.00 0.00 C ATOM 630 CZ TYR A 136 74.323 5.401 -9.574 1.00 0.00 C ATOM 631 OH TYR A 136 74.820 6.070 -10.672 1.00 0.00 O ATOM 0 H TYR A 136 73.422 1.032 -6.834 1.00 0.00 H new ATOM 0 HA TYR A 136 74.753 3.069 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 136 71.969 2.639 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.318 4.031 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.446 2.356 -8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.294 5.883 -6.884 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.340 3.560 -10.034 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.187 7.086 -8.860 1.00 0.00 H new ATOM 0 HH TYR A 136 74.475 6.987 -10.680 1.00 0.00 H new ATOM 641 N VAL A 137 72.469 1.243 -3.817 1.00 0.00 N ATOM 642 CA VAL A 137 71.947 0.876 -2.503 1.00 0.00 C ATOM 643 C VAL A 137 73.096 0.562 -1.547 1.00 0.00 C ATOM 644 O VAL A 137 73.088 0.984 -0.392 1.00 0.00 O ATOM 645 CB VAL A 137 71.019 -0.340 -2.634 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.432 -0.724 -1.270 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.869 -0.001 -3.584 1.00 0.00 C ATOM 0 H VAL A 137 72.106 0.682 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 137 71.379 1.715 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 137 71.600 -1.177 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.777 -1.588 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 137 71.241 -0.971 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.860 0.114 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.209 -0.863 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.307 0.845 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.271 0.257 -4.564 1.00 0.00 H new ATOM 657 N VAL A 138 74.092 -0.160 -2.045 1.00 0.00 N ATOM 658 CA VAL A 138 75.224 -0.554 -1.212 1.00 0.00 C ATOM 659 C VAL A 138 76.029 0.671 -0.785 1.00 0.00 C ATOM 660 O VAL A 138 76.261 0.886 0.403 1.00 0.00 O ATOM 661 CB VAL A 138 76.119 -1.543 -1.972 1.00 0.00 C ATOM 662 CG1 VAL A 138 77.280 -2.004 -1.083 1.00 0.00 C ATOM 663 CG2 VAL A 138 75.292 -2.763 -2.388 1.00 0.00 C ATOM 0 H VAL A 138 74.141 -0.483 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 138 74.842 -1.042 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 138 76.521 -1.045 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.906 -2.705 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.876 -1.141 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.885 -2.494 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.927 -3.466 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.887 -3.248 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.473 -2.445 -3.033 1.00 0.00 H new ATOM 673 N SER A 139 76.424 1.491 -1.753 1.00 0.00 N ATOM 674 CA SER A 139 77.269 2.648 -1.461 1.00 0.00 C ATOM 675 C SER A 139 76.641 3.534 -0.387 1.00 0.00 C ATOM 676 O SER A 139 77.339 4.073 0.474 1.00 0.00 O ATOM 677 CB SER A 139 77.485 3.468 -2.734 1.00 0.00 C ATOM 678 OG SER A 139 78.015 2.625 -3.747 1.00 0.00 O ATOM 0 H SER A 139 76.177 1.380 -2.736 1.00 0.00 H new ATOM 0 HA SER A 139 78.226 2.281 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 139 76.543 3.905 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 139 78.168 4.294 -2.537 1.00 0.00 H new ATOM 0 HG SER A 139 77.287 2.120 -4.166 1.00 0.00 H new ATOM 684 N ARG A 140 75.324 3.677 -0.445 1.00 0.00 N ATOM 685 CA ARG A 140 74.605 4.515 0.510 1.00 0.00 C ATOM 686 C ARG A 140 74.534 3.861 1.885 1.00 0.00 C ATOM 687 O ARG A 140 74.946 4.458 2.878 1.00 0.00 O ATOM 688 CB ARG A 140 73.191 4.784 -0.006 1.00 0.00 C ATOM 689 CG ARG A 140 72.540 5.892 0.822 1.00 0.00 C ATOM 690 CD ARG A 140 71.112 6.122 0.327 1.00 0.00 C ATOM 691 NE ARG A 140 70.516 7.275 1.011 1.00 0.00 N ATOM 692 CZ ARG A 140 70.671 8.541 0.597 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.390 8.851 -0.455 1.00 0.00 N ATOM 694 NH2 ARG A 140 70.090 9.499 1.266 1.00 0.00 N ATOM 0 H ARG A 140 74.731 3.225 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 140 75.149 5.454 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.226 5.075 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.593 3.874 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.531 5.616 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.119 6.812 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.116 6.291 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.509 5.232 0.508 1.00 0.00 H new ATOM 0 HE ARG A 140 69.954 7.105 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.855 8.117 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.484 9.826 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.529 9.279 2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.197 10.468 0.966 1.00 0.00 H new ATOM 708 N PHE A 141 74.052 2.624 1.943 1.00 0.00 N ATOM 709 CA PHE A 141 73.869 1.947 3.224 1.00 0.00 C ATOM 710 C PHE A 141 75.173 1.879 4.021 1.00 0.00 C ATOM 711 O PHE A 141 75.155 1.903 5.252 1.00 0.00 O ATOM 712 CB PHE A 141 73.332 0.534 2.991 1.00 0.00 C ATOM 713 CG PHE A 141 72.976 -0.189 4.268 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.715 -0.001 4.848 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.904 -1.044 4.873 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.384 -0.669 6.034 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.573 -1.712 6.059 1.00 0.00 C ATOM 718 CZ PHE A 141 72.312 -1.524 6.638 1.00 0.00 C ATOM 0 H PHE A 141 73.783 2.073 1.128 1.00 0.00 H new ATOM 0 HA PHE A 141 73.151 2.525 3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.449 0.589 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 141 74.079 -0.046 2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.998 0.658 4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.876 -1.189 4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.412 -0.524 6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.290 -2.371 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 141 72.056 -2.040 7.552 1.00 0.00 H new ATOM 728 N GLU A 142 76.302 1.795 3.322 1.00 0.00 N ATOM 729 CA GLU A 142 77.600 1.664 3.981 1.00 0.00 C ATOM 730 C GLU A 142 78.116 2.981 4.571 1.00 0.00 C ATOM 731 O GLU A 142 79.072 2.960 5.346 1.00 0.00 O ATOM 732 CB GLU A 142 78.627 1.127 2.982 1.00 0.00 C ATOM 733 CG GLU A 142 78.256 -0.306 2.585 1.00 0.00 C ATOM 734 CD GLU A 142 79.300 -0.909 1.643 1.00 0.00 C ATOM 735 OE1 GLU A 142 80.027 -0.158 1.009 1.00 0.00 O ATOM 736 OE2 GLU A 142 79.358 -2.125 1.570 1.00 0.00 O ATOM 0 H GLU A 142 76.345 1.815 2.303 1.00 0.00 H new ATOM 0 HA GLU A 142 77.461 0.973 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.657 1.764 2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.624 1.147 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 142 78.170 -0.923 3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 142 77.280 -0.310 2.100 1.00 0.00 H new ATOM 743 N THR A 143 77.511 4.117 4.218 1.00 0.00 N ATOM 744 CA THR A 143 77.951 5.404 4.749 1.00 0.00 C ATOM 745 C THR A 143 77.296 5.668 6.113 1.00 0.00 C ATOM 746 O THR A 143 76.107 5.985 6.147 1.00 0.00 O ATOM 747 CB THR A 143 77.543 6.517 3.781 1.00 0.00 C ATOM 748 OG1 THR A 143 77.976 6.182 2.471 1.00 0.00 O ATOM 749 CG2 THR A 143 78.190 7.834 4.214 1.00 0.00 C ATOM 0 H THR A 143 76.723 4.170 3.573 1.00 0.00 H new ATOM 0 HA THR A 143 79.034 5.385 4.867 1.00 0.00 H new ATOM 0 HB THR A 143 76.459 6.629 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.411 5.466 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.899 8.626 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.858 8.089 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.275 7.726 4.206 1.00 0.00 H new ATOM 757 N PRO A 144 78.007 5.593 7.224 1.00 0.00 N ATOM 758 CA PRO A 144 77.361 5.727 8.572 1.00 0.00 C ATOM 759 C PRO A 144 76.607 7.047 8.761 1.00 0.00 C ATOM 760 O PRO A 144 75.796 7.173 9.679 1.00 0.00 O ATOM 761 CB PRO A 144 78.519 5.621 9.573 1.00 0.00 C ATOM 762 CG PRO A 144 79.642 4.995 8.821 1.00 0.00 C ATOM 763 CD PRO A 144 79.466 5.427 7.369 1.00 0.00 C ATOM 0 HA PRO A 144 76.602 4.956 8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.801 6.603 9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.238 5.015 10.435 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.605 5.324 9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.615 3.909 8.911 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.997 6.356 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.854 4.677 6.679 1.00 0.00 H new ATOM 771 N GLY A 145 76.867 8.024 7.897 1.00 0.00 N ATOM 772 CA GLY A 145 76.241 9.339 8.028 1.00 0.00 C ATOM 773 C GLY A 145 74.743 9.319 7.712 1.00 0.00 C ATOM 774 O GLY A 145 74.007 10.203 8.152 1.00 0.00 O ATOM 0 H GLY A 145 77.502 7.933 7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.388 9.707 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.739 10.041 7.360 1.00 0.00 H new ATOM 778 N ILE A 146 74.284 8.323 6.955 1.00 0.00 N ATOM 779 CA ILE A 146 72.885 8.265 6.543 1.00 0.00 C ATOM 780 C ILE A 146 72.113 7.289 7.428 1.00 0.00 C ATOM 781 O ILE A 146 72.610 6.217 7.775 1.00 0.00 O ATOM 782 CB ILE A 146 72.789 7.848 5.069 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.577 8.840 4.206 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.325 7.850 4.618 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.717 8.298 2.783 1.00 0.00 C ATOM 0 H ILE A 146 74.858 7.550 6.617 1.00 0.00 H new ATOM 0 HA ILE A 146 72.442 9.254 6.655 1.00 0.00 H new ATOM 0 HB ILE A 146 73.202 6.846 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.068 9.804 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.563 9.008 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.266 7.553 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.756 7.148 5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.910 8.851 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.278 9.009 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.245 7.345 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.727 8.153 2.350 1.00 0.00 H new ATOM 797 N ALA A 147 70.893 7.677 7.785 1.00 0.00 N ATOM 798 CA ALA A 147 70.065 6.881 8.682 1.00 0.00 C ATOM 799 C ALA A 147 69.764 5.501 8.103 1.00 0.00 C ATOM 800 O ALA A 147 69.827 5.281 6.888 1.00 0.00 O ATOM 801 CB ALA A 147 68.753 7.620 8.967 1.00 0.00 C ATOM 0 H ALA A 147 70.455 8.541 7.465 1.00 0.00 H new ATOM 0 HA ALA A 147 70.621 6.738 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.137 7.022 9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.970 8.581 9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.217 7.784 8.032 1.00 0.00 H new ATOM 807 N SER A 148 69.468 4.565 8.998 1.00 0.00 N ATOM 808 CA SER A 148 69.075 3.223 8.590 1.00 0.00 C ATOM 809 C SER A 148 68.028 2.661 9.548 1.00 0.00 C ATOM 810 O SER A 148 68.131 2.816 10.765 1.00 0.00 O ATOM 811 CB SER A 148 70.297 2.304 8.570 1.00 0.00 C ATOM 812 OG SER A 148 70.692 2.022 9.906 1.00 0.00 O ATOM 0 H SER A 148 69.493 4.711 10.007 1.00 0.00 H new ATOM 0 HA SER A 148 68.647 3.277 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 148 70.062 1.378 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 148 71.115 2.779 8.029 1.00 0.00 H new ATOM 0 HG SER A 148 71.474 1.432 9.898 1.00 0.00 H new ATOM 818 N SER A 149 67.022 2.008 8.979 1.00 0.00 N ATOM 819 CA SER A 149 65.968 1.368 9.760 1.00 0.00 C ATOM 820 C SER A 149 65.847 -0.099 9.350 1.00 0.00 C ATOM 821 O SER A 149 66.391 -0.484 8.314 1.00 0.00 O ATOM 822 CB SER A 149 64.633 2.082 9.529 1.00 0.00 C ATOM 823 OG SER A 149 64.561 2.539 8.185 1.00 0.00 O ATOM 0 H SER A 149 66.913 1.907 7.970 1.00 0.00 H new ATOM 0 HA SER A 149 66.222 1.429 10.818 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.806 1.404 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.536 2.923 10.215 1.00 0.00 H new ATOM 0 HG SER A 149 63.705 2.994 8.040 1.00 0.00 H new ATOM 829 N PRO A 150 65.177 -0.934 10.118 1.00 0.00 N ATOM 830 CA PRO A 150 65.014 -2.377 9.750 1.00 0.00 C ATOM 831 C PRO A 150 64.619 -2.567 8.286 1.00 0.00 C ATOM 832 O PRO A 150 65.189 -3.399 7.580 1.00 0.00 O ATOM 833 CB PRO A 150 63.907 -2.869 10.683 1.00 0.00 C ATOM 834 CG PRO A 150 64.010 -2.006 11.893 1.00 0.00 C ATOM 835 CD PRO A 150 64.527 -0.647 11.416 1.00 0.00 C ATOM 0 HA PRO A 150 65.947 -2.929 9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.927 -2.777 10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 150 64.042 -3.921 10.936 1.00 0.00 H new ATOM 0 HG2 PRO A 150 63.040 -1.903 12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.689 -2.444 12.625 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.714 0.070 11.303 1.00 0.00 H new ATOM 0 HD3 PRO A 150 65.233 -0.219 12.128 1.00 0.00 H new ATOM 843 N GLU A 151 63.664 -1.766 7.824 1.00 0.00 N ATOM 844 CA GLU A 151 63.241 -1.830 6.430 1.00 0.00 C ATOM 845 C GLU A 151 64.425 -1.570 5.503 1.00 0.00 C ATOM 846 O GLU A 151 64.626 -2.280 4.517 1.00 0.00 O ATOM 847 CB GLU A 151 62.146 -0.795 6.167 1.00 0.00 C ATOM 848 CG GLU A 151 60.926 -1.107 7.035 1.00 0.00 C ATOM 849 CD GLU A 151 59.787 -0.151 6.700 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.856 0.992 7.122 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.863 -0.574 6.025 1.00 0.00 O ATOM 0 H GLU A 151 63.173 -1.072 8.388 1.00 0.00 H new ATOM 0 HA GLU A 151 62.849 -2.828 6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.517 0.206 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.867 -0.805 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.607 -2.136 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 151 61.188 -1.018 8.089 1.00 0.00 H new ATOM 858 N CYS A 152 65.227 -0.564 5.839 1.00 0.00 N ATOM 859 CA CYS A 152 66.385 -0.222 5.022 1.00 0.00 C ATOM 860 C CYS A 152 67.335 -1.411 4.918 1.00 0.00 C ATOM 861 O CYS A 152 67.860 -1.708 3.848 1.00 0.00 O ATOM 862 CB CYS A 152 67.129 0.968 5.628 1.00 0.00 C ATOM 863 SG CYS A 152 66.013 2.391 5.722 1.00 0.00 S ATOM 0 H CYS A 152 65.098 0.023 6.663 1.00 0.00 H new ATOM 0 HA CYS A 152 66.032 0.042 4.025 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.496 0.713 6.622 1.00 0.00 H new ATOM 0 HB3 CYS A 152 68.000 1.214 5.020 1.00 0.00 H new ATOM 0 HG CYS A 152 65.244 2.271 6.763 1.00 0.00 H new ATOM 869 N MET A 153 67.538 -2.101 6.035 1.00 0.00 N ATOM 870 CA MET A 153 68.460 -3.230 6.068 1.00 0.00 C ATOM 871 C MET A 153 68.041 -4.288 5.055 1.00 0.00 C ATOM 872 O MET A 153 68.864 -4.798 4.296 1.00 0.00 O ATOM 873 CB MET A 153 68.485 -3.843 7.471 1.00 0.00 C ATOM 874 CG MET A 153 68.998 -2.816 8.485 1.00 0.00 C ATOM 875 SD MET A 153 69.840 -3.677 9.837 1.00 0.00 S ATOM 876 CE MET A 153 71.297 -4.206 8.901 1.00 0.00 C ATOM 0 H MET A 153 67.080 -1.900 6.924 1.00 0.00 H new ATOM 0 HA MET A 153 69.457 -2.871 5.812 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.484 -4.173 7.750 1.00 0.00 H new ATOM 0 HB3 MET A 153 69.125 -4.725 7.480 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.682 -2.120 8.000 1.00 0.00 H new ATOM 0 HG3 MET A 153 68.168 -2.227 8.875 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.412 -5.287 8.986 1.00 0.00 H new ATOM 0 HE2 MET A 153 71.174 -3.936 7.852 1.00 0.00 H new ATOM 0 HE3 MET A 153 72.184 -3.715 9.300 1.00 0.00 H new ATOM 886 N GLU A 154 66.751 -4.598 5.033 1.00 0.00 N ATOM 887 CA GLU A 154 66.236 -5.602 4.107 1.00 0.00 C ATOM 888 C GLU A 154 66.544 -5.200 2.668 1.00 0.00 C ATOM 889 O GLU A 154 67.017 -6.008 1.869 1.00 0.00 O ATOM 890 CB GLU A 154 64.724 -5.755 4.285 1.00 0.00 C ATOM 891 CG GLU A 154 64.430 -6.340 5.670 1.00 0.00 C ATOM 892 CD GLU A 154 62.931 -6.587 5.860 1.00 0.00 C ATOM 893 OE1 GLU A 154 62.138 -5.972 5.162 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.596 -7.396 6.710 1.00 0.00 O ATOM 0 H GLU A 154 66.048 -4.175 5.638 1.00 0.00 H new ATOM 0 HA GLU A 154 66.721 -6.554 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.234 -4.787 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.320 -6.406 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.974 -7.276 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.789 -5.657 6.440 1.00 0.00 H new ATOM 901 N LEU A 155 66.300 -3.934 2.353 1.00 0.00 N ATOM 902 CA LEU A 155 66.553 -3.432 1.006 1.00 0.00 C ATOM 903 C LEU A 155 68.020 -3.629 0.633 1.00 0.00 C ATOM 904 O LEU A 155 68.341 -4.063 -0.473 1.00 0.00 O ATOM 905 CB LEU A 155 66.180 -1.948 0.933 1.00 0.00 C ATOM 906 CG LEU A 155 64.680 -1.780 1.205 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.375 -0.317 1.528 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.867 -2.187 -0.028 1.00 0.00 C ATOM 0 H LEU A 155 65.931 -3.241 3.004 1.00 0.00 H new ATOM 0 HA LEU A 155 65.941 -3.989 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.758 -1.381 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.429 -1.548 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 155 64.409 -2.416 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.308 -0.202 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.938 -0.014 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.661 0.309 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.804 -2.063 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.148 -1.558 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 155 64.070 -3.230 -0.269 1.00 0.00 H new ATOM 920 N TYR A 156 68.907 -3.341 1.575 1.00 0.00 N ATOM 921 CA TYR A 156 70.338 -3.497 1.341 1.00 0.00 C ATOM 922 C TYR A 156 70.659 -4.938 0.959 1.00 0.00 C ATOM 923 O TYR A 156 71.385 -5.195 -0.001 1.00 0.00 O ATOM 924 CB TYR A 156 71.106 -3.107 2.608 1.00 0.00 C ATOM 925 CG TYR A 156 72.602 -3.302 2.510 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.284 -2.936 1.344 1.00 0.00 C ATOM 927 CD2 TYR A 156 73.306 -3.850 3.590 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.669 -3.118 1.258 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.691 -4.032 3.503 1.00 0.00 C ATOM 930 CZ TYR A 156 75.373 -3.665 2.337 1.00 0.00 C ATOM 931 OH TYR A 156 76.739 -3.845 2.250 1.00 0.00 O ATOM 0 H TYR A 156 68.664 -2.999 2.505 1.00 0.00 H new ATOM 0 HA TYR A 156 70.638 -2.847 0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.901 -2.061 2.836 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.728 -3.695 3.444 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.742 -2.513 0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.780 -4.132 4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.195 -2.836 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 156 75.233 -4.456 4.335 1.00 0.00 H new ATOM 0 HH TYR A 156 77.072 -4.234 3.086 1.00 0.00 H new ATOM 941 N MET A 157 70.089 -5.877 1.701 1.00 0.00 N ATOM 942 CA MET A 157 70.336 -7.293 1.457 1.00 0.00 C ATOM 943 C MET A 157 69.968 -7.660 0.023 1.00 0.00 C ATOM 944 O MET A 157 70.721 -8.344 -0.673 1.00 0.00 O ATOM 945 CB MET A 157 69.511 -8.128 2.440 1.00 0.00 C ATOM 946 CG MET A 157 69.824 -9.616 2.263 1.00 0.00 C ATOM 947 SD MET A 157 68.835 -10.581 3.431 1.00 0.00 S ATOM 948 CE MET A 157 67.212 -10.218 2.717 1.00 0.00 C ATOM 0 H MET A 157 69.454 -5.686 2.476 1.00 0.00 H new ATOM 0 HA MET A 157 71.396 -7.500 1.603 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.731 -7.822 3.463 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.448 -7.951 2.276 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.605 -9.926 1.241 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.885 -9.798 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.603 -11.122 2.718 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.718 -9.447 3.309 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.336 -9.865 1.693 1.00 0.00 H new ATOM 958 N GLU A 158 68.819 -7.170 -0.427 1.00 0.00 N ATOM 959 CA GLU A 158 68.344 -7.485 -1.768 1.00 0.00 C ATOM 960 C GLU A 158 69.362 -7.031 -2.808 1.00 0.00 C ATOM 961 O GLU A 158 69.759 -7.801 -3.683 1.00 0.00 O ATOM 962 CB GLU A 158 67.002 -6.798 -2.028 1.00 0.00 C ATOM 963 CG GLU A 158 65.957 -7.331 -1.043 1.00 0.00 C ATOM 964 CD GLU A 158 64.564 -6.777 -1.352 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.467 -5.758 -2.019 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.605 -7.381 -0.900 1.00 0.00 O ATOM 0 H GLU A 158 68.205 -6.559 0.111 1.00 0.00 H new ATOM 0 HA GLU A 158 68.213 -8.564 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.106 -5.719 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.679 -6.983 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.935 -8.420 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.241 -7.059 -0.026 1.00 0.00 H new ATOM 973 N ALA A 159 69.812 -5.788 -2.683 1.00 0.00 N ATOM 974 CA ALA A 159 70.755 -5.233 -3.649 1.00 0.00 C ATOM 975 C ALA A 159 72.018 -6.085 -3.715 1.00 0.00 C ATOM 976 O ALA A 159 72.539 -6.363 -4.795 1.00 0.00 O ATOM 977 CB ALA A 159 71.123 -3.799 -3.264 1.00 0.00 C ATOM 0 H ALA A 159 69.544 -5.151 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 159 70.279 -5.231 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.827 -3.396 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.223 -3.184 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.581 -3.794 -2.275 1.00 0.00 H new ATOM 983 N LEU A 160 72.494 -6.524 -2.555 1.00 0.00 N ATOM 984 CA LEU A 160 73.706 -7.335 -2.494 1.00 0.00 C ATOM 985 C LEU A 160 73.554 -8.583 -3.355 1.00 0.00 C ATOM 986 O LEU A 160 74.471 -8.967 -4.081 1.00 0.00 O ATOM 987 CB LEU A 160 73.992 -7.750 -1.049 1.00 0.00 C ATOM 988 CG LEU A 160 74.344 -6.517 -0.216 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.392 -6.900 1.264 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.712 -5.985 -0.648 1.00 0.00 C ATOM 0 H LEU A 160 72.063 -6.334 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 160 74.536 -6.738 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.121 -8.250 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.814 -8.465 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 160 73.588 -5.746 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.643 -6.022 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.419 -7.282 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.149 -7.670 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 160 75.964 -5.106 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.467 -6.756 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.680 -5.714 -1.703 1.00 0.00 H new ATOM 1002 N GLN A 161 72.390 -9.213 -3.263 1.00 0.00 N ATOM 1003 CA GLN A 161 72.112 -10.393 -4.072 1.00 0.00 C ATOM 1004 C GLN A 161 72.202 -10.050 -5.556 1.00 0.00 C ATOM 1005 O GLN A 161 72.842 -10.758 -6.331 1.00 0.00 O ATOM 1006 CB GLN A 161 70.714 -10.928 -3.753 1.00 0.00 C ATOM 1007 CG GLN A 161 70.668 -11.405 -2.300 1.00 0.00 C ATOM 1008 CD GLN A 161 69.260 -11.870 -1.938 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.286 -11.473 -2.578 1.00 0.00 O ATOM 1010 NE2 GLN A 161 69.094 -12.696 -0.941 1.00 0.00 N ATOM 0 H GLN A 161 71.630 -8.931 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 161 72.853 -11.158 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.969 -10.149 -3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.466 -11.750 -4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.376 -12.221 -2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.973 -10.597 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 161 69.901 -13.025 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.157 -13.013 -0.692 1.00 0.00 H new ATOM 1019 N ARG A 162 71.612 -8.923 -5.931 1.00 0.00 N ATOM 1020 CA ARG A 162 71.564 -8.518 -7.332 1.00 0.00 C ATOM 1021 C ARG A 162 72.965 -8.458 -7.934 1.00 0.00 C ATOM 1022 O ARG A 162 73.188 -8.905 -9.059 1.00 0.00 O ATOM 1023 CB ARG A 162 70.913 -7.136 -7.451 1.00 0.00 C ATOM 1024 CG ARG A 162 69.508 -7.159 -6.837 1.00 0.00 C ATOM 1025 CD ARG A 162 68.605 -6.147 -7.547 1.00 0.00 C ATOM 1026 NE ARG A 162 67.312 -6.054 -6.862 1.00 0.00 N ATOM 1027 CZ ARG A 162 66.228 -5.475 -7.402 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.244 -4.939 -8.599 1.00 0.00 N ATOM 1029 NH2 ARG A 162 65.121 -5.442 -6.712 1.00 0.00 N ATOM 0 H ARG A 162 71.160 -8.273 -5.287 1.00 0.00 H new ATOM 0 HA ARG A 162 70.977 -9.258 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.527 -6.392 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.855 -6.842 -8.499 1.00 0.00 H new ATOM 0 HG2 ARG A 162 69.083 -8.159 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.564 -6.925 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 162 69.086 -5.169 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.455 -6.448 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 162 67.232 -6.450 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 162 67.100 -4.953 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 162 65.400 -4.508 -8.976 1.00 0.00 H new ATOM 0 HH21 ARG A 162 65.089 -5.852 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 162 64.287 -5.006 -7.106 1.00 0.00 H new ATOM 1043 N ILE A 163 73.902 -7.900 -7.177 1.00 0.00 N ATOM 1044 CA ILE A 163 75.255 -7.678 -7.695 1.00 0.00 C ATOM 1045 C ILE A 163 76.202 -8.863 -7.468 1.00 0.00 C ATOM 1046 O ILE A 163 77.416 -8.717 -7.612 1.00 0.00 O ATOM 1047 CB ILE A 163 75.856 -6.408 -7.085 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.823 -6.483 -5.556 1.00 0.00 C ATOM 1049 CG2 ILE A 163 75.051 -5.192 -7.554 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.709 -5.379 -4.974 1.00 0.00 C ATOM 0 H ILE A 163 73.758 -7.595 -6.214 1.00 0.00 H new ATOM 0 HA ILE A 163 75.151 -7.564 -8.774 1.00 0.00 H new ATOM 0 HB ILE A 163 76.892 -6.315 -7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.800 -6.370 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.173 -7.460 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.476 -4.286 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 163 75.089 -5.128 -8.641 1.00 0.00 H new ATOM 0 HG23 ILE A 163 74.015 -5.296 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.687 -5.431 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.733 -5.512 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.339 -4.406 -5.299 1.00 0.00 H new ATOM 1062 N GLY A 164 75.663 -10.028 -7.115 1.00 0.00 N ATOM 1063 CA GLY A 164 76.472 -11.241 -7.026 1.00 0.00 C ATOM 1064 C GLY A 164 77.366 -11.277 -5.785 1.00 0.00 C ATOM 1065 O GLY A 164 78.402 -11.940 -5.789 1.00 0.00 O ATOM 0 H GLY A 164 74.677 -10.157 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.814 -12.110 -7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.094 -11.322 -7.917 1.00 0.00 H new ATOM 1069 N ARG A 165 76.974 -10.569 -4.728 1.00 0.00 N ATOM 1070 CA ARG A 165 77.714 -10.623 -3.471 1.00 0.00 C ATOM 1071 C ARG A 165 77.057 -11.617 -2.520 1.00 0.00 C ATOM 1072 O ARG A 165 76.230 -11.244 -1.688 1.00 0.00 O ATOM 1073 CB ARG A 165 77.765 -9.240 -2.820 1.00 0.00 C ATOM 1074 CG ARG A 165 78.608 -8.298 -3.683 1.00 0.00 C ATOM 1075 CD ARG A 165 78.849 -6.990 -2.927 1.00 0.00 C ATOM 1076 NE ARG A 165 79.378 -5.968 -3.834 1.00 0.00 N ATOM 1077 CZ ARG A 165 79.907 -4.808 -3.416 1.00 0.00 C ATOM 1078 NH1 ARG A 165 79.994 -4.498 -2.144 1.00 0.00 N ATOM 1079 NH2 ARG A 165 80.350 -3.961 -4.303 1.00 0.00 N ATOM 0 H ARG A 165 76.157 -9.958 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 165 78.732 -10.949 -3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.756 -8.842 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.192 -9.313 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.560 -8.768 -3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.098 -8.097 -4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 165 77.917 -6.643 -2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.550 -7.158 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 165 79.342 -6.148 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 165 79.653 -5.148 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 165 80.402 -3.607 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 165 80.291 -4.185 -5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 165 80.755 -3.074 -4.004 1.00 0.00 H new