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= 0.981 USER MOD Set 1.2: A 152 CYS SG : rot 93:sc= 0.419 USER MOD Set 2.1: A 109 GLN : amide:sc= -0.316 K(o=-2,f=-3.4) USER MOD Set 2.2: A 113 LYS NZ :NH3+ -178:sc= -1.69 (180deg=-1.53!) USER MOD Single : A 103 MET CE :methyl -154:sc= -0.187 (180deg=-1.36) USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000451 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0.859 K(o=0.86,f=-6.5!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc=-7.22e-05 K(o=-7.2e-05,f=-1.2) USER MOD Single : A 131 SER OG : rot 100:sc= -0.627 USER MOD Single : A 132 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 81:sc= 0.305 USER MOD Single : A 143 THR OG1 : rot 79:sc= 0.12 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -121:sc= -0.285 (180deg=-2.61!) USER MOD Single : A 156 TYR OH : rot 17:sc= 0.091 USER MOD Single : A 157 MET CE :methyl 152:sc= -0.211 (180deg=-1.36!) USER MOD Single : A 161 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.557 11.074 -11.063 1.00 0.00 N ATOM 101 CA MET A 103 60.132 10.633 -9.737 1.00 0.00 C ATOM 102 C MET A 103 61.340 10.290 -8.869 1.00 0.00 C ATOM 103 O MET A 103 61.444 10.734 -7.725 1.00 0.00 O ATOM 104 CB MET A 103 59.228 9.405 -9.862 1.00 0.00 C ATOM 105 CG MET A 103 58.528 9.147 -8.526 1.00 0.00 C ATOM 106 SD MET A 103 57.642 7.571 -8.603 1.00 0.00 S ATOM 107 CE MET A 103 56.500 8.016 -9.933 1.00 0.00 C ATOM 0 HA MET A 103 59.581 11.446 -9.265 1.00 0.00 H new ATOM 0 HB2 MET A 103 58.489 9.563 -10.647 1.00 0.00 H new ATOM 0 HB3 MET A 103 59.817 8.534 -10.150 1.00 0.00 H new ATOM 0 HG2 MET A 103 59.260 9.126 -7.718 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.833 9.957 -8.305 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.593 7.417 -9.849 1.00 0.00 H new ATOM 0 HE2 MET A 103 56.245 9.073 -9.856 1.00 0.00 H new ATOM 0 HE3 MET A 103 56.972 7.826 -10.897 1.00 0.00 H new ATOM 117 N LEU A 104 62.265 9.518 -9.431 1.00 0.00 N ATOM 118 CA LEU A 104 63.457 9.110 -8.694 1.00 0.00 C ATOM 119 C LEU A 104 64.213 10.325 -8.164 1.00 0.00 C ATOM 120 O LEU A 104 64.592 10.370 -6.994 1.00 0.00 O ATOM 121 CB LEU A 104 64.384 8.298 -9.604 1.00 0.00 C ATOM 122 CG LEU A 104 63.648 7.063 -10.127 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.532 6.335 -11.144 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.335 6.121 -8.963 1.00 0.00 C ATOM 0 H LEU A 104 62.214 9.165 -10.386 1.00 0.00 H new ATOM 0 HA LEU A 104 63.138 8.498 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.719 8.913 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.275 7.995 -9.054 1.00 0.00 H new ATOM 0 HG LEU A 104 62.718 7.372 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 104 64.008 5.455 -11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.756 7.003 -11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.461 6.028 -10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.811 5.242 -9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.264 5.813 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.706 6.636 -8.237 1.00 0.00 H new ATOM 136 N ALA A 105 64.404 11.322 -9.021 1.00 0.00 N ATOM 137 CA ALA A 105 65.181 12.498 -8.643 1.00 0.00 C ATOM 138 C ALA A 105 64.550 13.225 -7.460 1.00 0.00 C ATOM 139 O ALA A 105 65.231 13.533 -6.485 1.00 0.00 O ATOM 140 CB ALA A 105 65.292 13.455 -9.832 1.00 0.00 C ATOM 0 H ALA A 105 64.036 11.341 -9.972 1.00 0.00 H new ATOM 0 HA ALA A 105 66.174 12.161 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.873 14.330 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.787 12.949 -10.661 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.295 13.768 -10.141 1.00 0.00 H new ATOM 146 N THR A 106 63.248 13.484 -7.534 1.00 0.00 N ATOM 147 CA THR A 106 62.557 14.199 -6.462 1.00 0.00 C ATOM 148 C THR A 106 62.795 13.536 -5.106 1.00 0.00 C ATOM 149 O THR A 106 63.234 14.181 -4.152 1.00 0.00 O ATOM 150 CB THR A 106 61.055 14.241 -6.751 1.00 0.00 C ATOM 151 OG1 THR A 106 60.842 14.758 -8.057 1.00 0.00 O ATOM 152 CG2 THR A 106 60.360 15.139 -5.726 1.00 0.00 C ATOM 0 H THR A 106 62.653 13.213 -8.317 1.00 0.00 H new ATOM 0 HA THR A 106 62.957 15.212 -6.423 1.00 0.00 H new ATOM 0 HB THR A 106 60.643 13.234 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.881 14.784 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.290 15.168 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.525 14.743 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.769 16.147 -5.789 1.00 0.00 H new ATOM 160 N ARG A 107 62.529 12.236 -5.032 1.00 0.00 N ATOM 161 CA ARG A 107 62.697 11.507 -3.780 1.00 0.00 C ATOM 162 C ARG A 107 64.124 11.643 -3.253 1.00 0.00 C ATOM 163 O ARG A 107 64.328 11.914 -2.069 1.00 0.00 O ATOM 164 CB ARG A 107 62.354 10.031 -3.989 1.00 0.00 C ATOM 165 CG ARG A 107 60.895 9.904 -4.438 1.00 0.00 C ATOM 166 CD ARG A 107 59.963 10.186 -3.256 1.00 0.00 C ATOM 167 NE ARG A 107 58.577 9.886 -3.624 1.00 0.00 N ATOM 168 CZ ARG A 107 57.515 10.358 -2.953 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.639 11.136 -1.904 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.318 10.032 -3.358 1.00 0.00 N ATOM 0 H ARG A 107 62.200 11.671 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 107 62.020 11.935 -3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 107 63.015 9.596 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.511 9.476 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.692 10.604 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.711 8.903 -4.828 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.258 9.582 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.050 11.230 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 107 58.411 9.287 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.566 11.402 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 107 56.808 11.475 -1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.202 9.428 -4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.499 10.381 -2.861 1.00 0.00 H new ATOM 184 N GLU A 108 65.110 11.476 -4.132 1.00 0.00 N ATOM 185 CA GLU A 108 66.504 11.574 -3.714 1.00 0.00 C ATOM 186 C GLU A 108 66.799 12.956 -3.140 1.00 0.00 C ATOM 187 O GLU A 108 67.519 13.080 -2.153 1.00 0.00 O ATOM 188 CB GLU A 108 67.437 11.284 -4.895 1.00 0.00 C ATOM 189 CG GLU A 108 68.896 11.287 -4.416 1.00 0.00 C ATOM 190 CD GLU A 108 69.864 10.878 -5.532 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.448 10.783 -6.678 1.00 0.00 O ATOM 192 OE2 GLU A 108 71.024 10.665 -5.218 1.00 0.00 O ATOM 0 H GLU A 108 64.972 11.275 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 108 66.680 10.831 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.191 10.318 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.298 12.035 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.158 12.282 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 108 69.003 10.604 -3.574 1.00 0.00 H new ATOM 199 N GLN A 109 66.234 13.992 -3.751 1.00 0.00 N ATOM 200 CA GLN A 109 66.479 15.357 -3.301 1.00 0.00 C ATOM 201 C GLN A 109 66.077 15.513 -1.839 1.00 0.00 C ATOM 202 O GLN A 109 66.815 16.080 -1.035 1.00 0.00 O ATOM 203 CB GLN A 109 65.684 16.340 -4.164 1.00 0.00 C ATOM 204 CG GLN A 109 66.260 17.747 -4.002 1.00 0.00 C ATOM 205 CD GLN A 109 65.377 18.758 -4.724 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.167 18.798 -4.499 1.00 0.00 O ATOM 207 NE2 GLN A 109 65.911 19.582 -5.583 1.00 0.00 N ATOM 0 H GLN A 109 65.608 13.914 -4.553 1.00 0.00 H new ATOM 0 HA GLN A 109 67.543 15.571 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 109 65.726 16.037 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 109 64.634 16.330 -3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 109 66.328 18.001 -2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 109 67.272 17.783 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 109 66.914 19.547 -5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.326 20.261 -6.070 1.00 0.00 H new ATOM 216 N GLU A 110 64.916 14.969 -1.492 1.00 0.00 N ATOM 217 CA GLU A 110 64.426 15.061 -0.121 1.00 0.00 C ATOM 218 C GLU A 110 65.397 14.382 0.840 1.00 0.00 C ATOM 219 O GLU A 110 65.788 14.955 1.856 1.00 0.00 O ATOM 220 CB GLU A 110 63.049 14.402 -0.011 1.00 0.00 C ATOM 221 CG GLU A 110 62.043 15.167 -0.877 1.00 0.00 C ATOM 222 CD GLU A 110 60.631 14.596 -0.728 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.493 13.462 -0.296 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.697 15.311 -1.053 1.00 0.00 O ATOM 0 H GLU A 110 64.302 14.465 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 110 64.344 16.115 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.105 13.362 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.719 14.396 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 110 62.043 16.220 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.349 15.118 -1.922 1.00 0.00 H new ATOM 231 N ALA A 111 65.801 13.164 0.499 1.00 0.00 N ATOM 232 CA ALA A 111 66.718 12.409 1.348 1.00 0.00 C ATOM 233 C ALA A 111 68.022 13.177 1.550 1.00 0.00 C ATOM 234 O ALA A 111 68.552 13.240 2.659 1.00 0.00 O ATOM 235 CB ALA A 111 67.019 11.051 0.711 1.00 0.00 C ATOM 0 H ALA A 111 65.512 12.680 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 111 66.244 12.260 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.704 10.493 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.092 10.490 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.476 11.201 -0.267 1.00 0.00 H new ATOM 241 N ASN A 112 68.530 13.763 0.472 1.00 0.00 N ATOM 242 CA ASN A 112 69.786 14.500 0.528 1.00 0.00 C ATOM 243 C ASN A 112 69.698 15.646 1.530 1.00 0.00 C ATOM 244 O ASN A 112 70.624 15.871 2.309 1.00 0.00 O ATOM 245 CB ASN A 112 70.124 15.057 -0.857 1.00 0.00 C ATOM 246 CG ASN A 112 71.498 15.720 -0.832 1.00 0.00 C ATOM 247 OD1 ASN A 112 71.594 16.948 -0.817 1.00 0.00 O ATOM 248 ND2 ASN A 112 72.571 14.979 -0.826 1.00 0.00 N ATOM 0 H ASN A 112 68.092 13.742 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 112 70.571 13.815 0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.112 14.254 -1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.368 15.780 -1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 112 73.492 15.416 -0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 112 72.489 13.962 -0.838 1.00 0.00 H new ATOM 255 N LYS A 113 68.582 16.366 1.506 1.00 0.00 N ATOM 256 CA LYS A 113 68.389 17.478 2.433 1.00 0.00 C ATOM 257 C LYS A 113 68.474 16.981 3.871 1.00 0.00 C ATOM 258 O LYS A 113 69.152 17.573 4.709 1.00 0.00 O ATOM 259 CB LYS A 113 67.023 18.134 2.209 1.00 0.00 C ATOM 260 CG LYS A 113 66.996 18.833 0.849 1.00 0.00 C ATOM 261 CD LYS A 113 65.698 19.637 0.722 1.00 0.00 C ATOM 262 CE LYS A 113 65.578 20.239 -0.682 1.00 0.00 C ATOM 263 NZ LYS A 113 64.802 19.312 -1.552 1.00 0.00 N ATOM 0 H LYS A 113 67.806 16.204 0.864 1.00 0.00 H new ATOM 0 HA LYS A 113 69.173 18.213 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.236 17.381 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.822 18.855 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 113 67.858 19.493 0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.062 18.098 0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 113 64.842 18.992 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 113 65.680 20.431 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 113 65.083 21.209 -0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 113 66.569 20.407 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 64.748 19.702 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 65.274 18.386 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 63.841 19.200 -1.170 1.00 0.00 H new ATOM 277 N ASP A 114 67.774 15.883 4.140 1.00 0.00 N ATOM 278 CA ASP A 114 67.789 15.273 5.465 1.00 0.00 C ATOM 279 C ASP A 114 68.175 13.800 5.370 1.00 0.00 C ATOM 280 O ASP A 114 67.407 12.973 4.879 1.00 0.00 O ATOM 281 CB ASP A 114 66.408 15.397 6.111 1.00 0.00 C ATOM 282 CG ASP A 114 66.478 14.983 7.577 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.780 15.833 8.399 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.231 13.821 7.857 1.00 0.00 O ATOM 0 H ASP A 114 67.190 15.398 3.459 1.00 0.00 H new ATOM 0 HA ASP A 114 68.526 15.793 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 114 66.051 16.424 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.692 14.769 5.581 1.00 0.00 H new ATOM 289 N LEU A 115 69.379 13.476 5.830 1.00 0.00 N ATOM 290 CA LEU A 115 69.837 12.085 5.830 1.00 0.00 C ATOM 291 C LEU A 115 69.598 11.380 7.173 1.00 0.00 C ATOM 292 O LEU A 115 69.741 10.161 7.255 1.00 0.00 O ATOM 293 CB LEU A 115 71.328 12.021 5.489 1.00 0.00 C ATOM 294 CG LEU A 115 71.553 12.435 4.031 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.054 12.592 3.774 1.00 0.00 C ATOM 296 CD2 LEU A 115 70.995 11.361 3.094 1.00 0.00 C ATOM 0 H LEU A 115 70.051 14.146 6.204 1.00 0.00 H new ATOM 0 HA LEU A 115 69.250 11.564 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.889 12.679 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.703 11.010 5.650 1.00 0.00 H new ATOM 0 HG LEU A 115 71.043 13.380 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.217 12.887 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.458 13.357 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.557 11.644 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.158 11.661 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.503 10.415 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 115 69.927 11.241 3.273 1.00 0.00 H new ATOM 308 N THR A 116 69.254 12.127 8.224 1.00 0.00 N ATOM 309 CA THR A 116 69.044 11.530 9.543 1.00 0.00 C ATOM 310 C THR A 116 67.584 11.125 9.789 1.00 0.00 C ATOM 311 O THR A 116 67.204 10.867 10.931 1.00 0.00 O ATOM 312 CB THR A 116 69.479 12.519 10.627 1.00 0.00 C ATOM 313 OG1 THR A 116 68.694 13.699 10.531 1.00 0.00 O ATOM 314 CG2 THR A 116 70.956 12.868 10.440 1.00 0.00 C ATOM 0 H THR A 116 69.116 13.137 8.188 1.00 0.00 H new ATOM 0 HA THR A 116 69.645 10.622 9.581 1.00 0.00 H new ATOM 0 HB THR A 116 69.338 12.068 11.609 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.970 14.333 11.226 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.264 13.572 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.556 11.961 10.515 1.00 0.00 H new ATOM 0 HG23 THR A 116 71.102 13.319 9.459 1.00 0.00 H new ATOM 322 N SER A 117 66.764 11.066 8.738 1.00 0.00 N ATOM 323 CA SER A 117 65.373 10.646 8.885 1.00 0.00 C ATOM 324 C SER A 117 65.180 9.247 8.288 1.00 0.00 C ATOM 325 O SER A 117 64.935 9.134 7.086 1.00 0.00 O ATOM 326 CB SER A 117 64.464 11.632 8.149 1.00 0.00 C ATOM 327 OG SER A 117 63.146 11.104 8.098 1.00 0.00 O ATOM 0 H SER A 117 67.038 11.302 7.784 1.00 0.00 H new ATOM 0 HA SER A 117 65.119 10.625 9.945 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.463 12.595 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.838 11.806 7.140 1.00 0.00 H new ATOM 0 HG SER A 117 62.559 11.733 7.629 1.00 0.00 H new ATOM 333 N PRO A 118 65.253 8.190 9.073 1.00 0.00 N ATOM 334 CA PRO A 118 65.185 6.801 8.519 1.00 0.00 C ATOM 335 C PRO A 118 64.022 6.598 7.552 1.00 0.00 C ATOM 336 O PRO A 118 64.151 5.864 6.575 1.00 0.00 O ATOM 337 CB PRO A 118 65.026 5.907 9.749 1.00 0.00 C ATOM 338 CG PRO A 118 65.635 6.677 10.869 1.00 0.00 C ATOM 339 CD PRO A 118 65.430 8.155 10.540 1.00 0.00 C ATOM 0 HA PRO A 118 66.075 6.573 7.932 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.976 5.689 9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.529 4.950 9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 118 65.163 6.421 11.818 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.695 6.445 10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.558 8.558 11.054 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.287 8.753 10.850 1.00 0.00 H new ATOM 347 N ASP A 119 62.897 7.258 7.812 1.00 0.00 N ATOM 348 CA ASP A 119 61.730 7.113 6.946 1.00 0.00 C ATOM 349 C ASP A 119 62.074 7.499 5.510 1.00 0.00 C ATOM 350 O ASP A 119 61.897 6.706 4.583 1.00 0.00 O ATOM 351 CB ASP A 119 60.585 7.991 7.456 1.00 0.00 C ATOM 352 CG ASP A 119 60.138 7.519 8.837 1.00 0.00 C ATOM 353 OD1 ASP A 119 60.166 6.323 9.072 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.773 8.363 9.639 1.00 0.00 O ATOM 0 H ASP A 119 62.768 7.889 8.603 1.00 0.00 H new ATOM 0 HA ASP A 119 61.418 6.069 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.908 9.031 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.747 7.950 6.760 1.00 0.00 H new ATOM 359 N ALA A 120 62.587 8.713 5.332 1.00 0.00 N ATOM 360 CA ALA A 120 62.932 9.188 3.997 1.00 0.00 C ATOM 361 C ALA A 120 63.947 8.258 3.344 1.00 0.00 C ATOM 362 O ALA A 120 63.820 7.926 2.165 1.00 0.00 O ATOM 363 CB ALA A 120 63.501 10.607 4.065 1.00 0.00 C ATOM 0 H ALA A 120 62.771 9.377 6.084 1.00 0.00 H new ATOM 0 HA ALA A 120 62.024 9.198 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.753 10.946 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.758 11.277 4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.398 10.610 4.685 1.00 0.00 H new ATOM 369 N GLN A 121 64.935 7.808 4.118 1.00 0.00 N ATOM 370 CA GLN A 121 65.961 6.925 3.565 1.00 0.00 C ATOM 371 C GLN A 121 65.312 5.661 3.017 1.00 0.00 C ATOM 372 O GLN A 121 65.572 5.264 1.885 1.00 0.00 O ATOM 373 CB GLN A 121 67.026 6.524 4.603 1.00 0.00 C ATOM 374 CG GLN A 121 67.440 7.684 5.526 1.00 0.00 C ATOM 375 CD GLN A 121 67.737 8.969 4.753 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.652 9.008 3.931 1.00 0.00 O ATOM 377 NE2 GLN A 121 66.998 10.024 4.970 1.00 0.00 N ATOM 0 H GLN A 121 65.046 8.034 5.107 1.00 0.00 H new ATOM 0 HA GLN A 121 66.461 7.482 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.642 5.704 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.908 6.149 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.644 7.873 6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.323 7.394 6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.241 9.985 5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.178 10.887 4.457 1.00 0.00 H new ATOM 386 N ALA A 122 64.396 5.081 3.791 1.00 0.00 N ATOM 387 CA ALA A 122 63.765 3.818 3.414 1.00 0.00 C ATOM 388 C ALA A 122 63.142 3.927 2.031 1.00 0.00 C ATOM 389 O ALA A 122 63.411 3.110 1.153 1.00 0.00 O ATOM 390 CB ALA A 122 62.687 3.442 4.432 1.00 0.00 C ATOM 0 H ALA A 122 64.075 5.464 4.680 1.00 0.00 H new ATOM 0 HA ALA A 122 64.531 3.043 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.224 2.499 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.139 3.334 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.928 4.224 4.464 1.00 0.00 H new ATOM 396 N ALA A 123 62.369 4.987 1.827 1.00 0.00 N ATOM 397 CA ALA A 123 61.692 5.175 0.548 1.00 0.00 C ATOM 398 C ALA A 123 62.710 5.232 -0.589 1.00 0.00 C ATOM 399 O ALA A 123 62.530 4.607 -1.634 1.00 0.00 O ATOM 400 CB ALA A 123 60.873 6.467 0.572 1.00 0.00 C ATOM 0 H ALA A 123 62.197 5.718 2.517 1.00 0.00 H new ATOM 0 HA ALA A 123 61.024 4.330 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.372 6.598 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.128 6.411 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.535 7.314 0.754 1.00 0.00 H new ATOM 406 N PHE A 124 63.796 5.965 -0.368 1.00 0.00 N ATOM 407 CA PHE A 124 64.833 6.100 -1.386 1.00 0.00 C ATOM 408 C PHE A 124 65.408 4.736 -1.759 1.00 0.00 C ATOM 409 O PHE A 124 65.583 4.422 -2.936 1.00 0.00 O ATOM 410 CB PHE A 124 65.954 7.008 -0.876 1.00 0.00 C ATOM 411 CG PHE A 124 67.041 7.258 -1.896 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.703 7.555 -3.222 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.386 7.192 -1.515 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.711 7.786 -4.167 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.394 7.422 -2.459 1.00 0.00 C ATOM 416 CZ PHE A 124 69.057 7.718 -3.785 1.00 0.00 C ATOM 0 H PHE A 124 63.981 6.471 0.498 1.00 0.00 H new ATOM 0 HA PHE A 124 64.383 6.543 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.526 7.963 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.398 6.559 0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.665 7.606 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.647 6.963 -0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.451 8.016 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.432 7.371 -2.164 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.835 7.894 -4.513 1.00 0.00 H new ATOM 426 N TYR A 125 65.680 3.915 -0.749 1.00 0.00 N ATOM 427 CA TYR A 125 66.243 2.586 -0.982 1.00 0.00 C ATOM 428 C TYR A 125 65.335 1.785 -1.913 1.00 0.00 C ATOM 429 O TYR A 125 65.793 1.145 -2.860 1.00 0.00 O ATOM 430 CB TYR A 125 66.387 1.833 0.346 1.00 0.00 C ATOM 431 CG TYR A 125 67.527 2.297 1.228 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.850 1.953 0.925 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.253 3.058 2.368 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.893 2.376 1.765 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.290 3.484 3.204 1.00 0.00 C ATOM 436 CZ TYR A 125 69.612 3.143 2.906 1.00 0.00 C ATOM 437 OH TYR A 125 70.634 3.562 3.739 1.00 0.00 O ATOM 0 H TYR A 125 65.522 4.143 0.233 1.00 0.00 H new ATOM 0 HA TYR A 125 67.224 2.704 -1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.455 1.929 0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.522 0.773 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.068 1.363 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.232 3.319 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.914 2.110 1.532 1.00 0.00 H new ATOM 0 HE2 TYR A 125 68.069 4.076 4.080 1.00 0.00 H new ATOM 0 HH TYR A 125 70.259 4.083 4.480 1.00 0.00 H new ATOM 447 N LYS A 126 64.032 1.858 -1.655 1.00 0.00 N ATOM 448 CA LYS A 126 63.059 1.118 -2.458 1.00 0.00 C ATOM 449 C LYS A 126 63.177 1.524 -3.921 1.00 0.00 C ATOM 450 O LYS A 126 63.247 0.682 -4.814 1.00 0.00 O ATOM 451 CB LYS A 126 61.617 1.401 -2.008 1.00 0.00 C ATOM 452 CG LYS A 126 61.467 1.318 -0.482 1.00 0.00 C ATOM 453 CD LYS A 126 60.053 0.866 -0.103 1.00 0.00 C ATOM 454 CE LYS A 126 59.026 1.891 -0.590 1.00 0.00 C ATOM 455 NZ LYS A 126 57.666 1.484 -0.140 1.00 0.00 N ATOM 0 H LYS A 126 63.627 2.416 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 126 63.276 0.058 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.318 2.392 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 126 60.943 0.685 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.199 0.619 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.675 2.291 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.844 -0.108 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.977 0.749 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 126 59.269 2.879 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 126 59.055 1.962 -1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 56.968 2.180 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 57.436 0.549 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 57.643 1.438 0.899 1.00 0.00 H new ATOM 469 N LEU A 127 63.208 2.830 -4.153 1.00 0.00 N ATOM 470 CA LEU A 127 63.248 3.357 -5.512 1.00 0.00 C ATOM 471 C LEU A 127 64.450 2.803 -6.267 1.00 0.00 C ATOM 472 O LEU A 127 64.334 2.383 -7.417 1.00 0.00 O ATOM 473 CB LEU A 127 63.333 4.884 -5.475 1.00 0.00 C ATOM 474 CG LEU A 127 62.111 5.451 -4.751 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.368 6.916 -4.398 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.887 5.354 -5.664 1.00 0.00 C ATOM 0 H LEU A 127 63.206 3.541 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 127 62.336 3.052 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.246 5.195 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.383 5.280 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 127 61.929 4.882 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.499 7.324 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.241 6.986 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.547 7.484 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 127 60.016 5.758 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.067 5.925 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.706 4.310 -5.920 1.00 0.00 H new ATOM 488 N LEU A 128 65.596 2.779 -5.600 1.00 0.00 N ATOM 489 CA LEU A 128 66.824 2.330 -6.245 1.00 0.00 C ATOM 490 C LEU A 128 66.701 0.882 -6.703 1.00 0.00 C ATOM 491 O LEU A 128 67.162 0.538 -7.791 1.00 0.00 O ATOM 492 CB LEU A 128 68.012 2.474 -5.290 1.00 0.00 C ATOM 493 CG LEU A 128 68.518 3.918 -5.312 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.470 4.144 -4.136 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.261 4.179 -6.625 1.00 0.00 C ATOM 0 H LEU A 128 65.702 3.061 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 128 66.992 2.957 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.714 2.198 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.811 1.794 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 128 67.671 4.600 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.830 5.173 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.943 3.959 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.316 3.462 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.621 5.208 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.107 3.497 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.584 4.019 -7.464 1.00 0.00 H new ATOM 507 N LEU A 129 66.091 0.035 -5.877 1.00 0.00 N ATOM 508 CA LEU A 129 65.924 -1.369 -6.251 1.00 0.00 C ATOM 509 C LEU A 129 65.015 -1.493 -7.470 1.00 0.00 C ATOM 510 O LEU A 129 65.347 -2.179 -8.436 1.00 0.00 O ATOM 511 CB LEU A 129 65.335 -2.169 -5.084 1.00 0.00 C ATOM 512 CG LEU A 129 66.459 -2.669 -4.172 1.00 0.00 C ATOM 513 CD1 LEU A 129 65.861 -3.178 -2.860 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.207 -3.810 -4.866 1.00 0.00 C ATOM 0 H LEU A 129 65.712 0.287 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 129 66.906 -1.773 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.645 -1.545 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 129 64.761 -3.014 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 129 67.150 -1.852 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.660 -3.534 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.325 -2.368 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.171 -3.996 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.008 -4.167 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.515 -4.627 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.632 -3.450 -5.803 1.00 0.00 H new ATOM 526 N GLN A 130 63.897 -0.778 -7.453 1.00 0.00 N ATOM 527 CA GLN A 130 62.929 -0.865 -8.540 1.00 0.00 C ATOM 528 C GLN A 130 63.565 -0.485 -9.873 1.00 0.00 C ATOM 529 O GLN A 130 63.302 -1.115 -10.898 1.00 0.00 O ATOM 530 CB GLN A 130 61.745 0.062 -8.258 1.00 0.00 C ATOM 531 CG GLN A 130 61.001 -0.423 -7.011 1.00 0.00 C ATOM 532 CD GLN A 130 59.868 0.538 -6.661 1.00 0.00 C ATOM 533 OE1 GLN A 130 59.896 1.707 -7.050 1.00 0.00 O ATOM 534 NE2 GLN A 130 58.864 0.113 -5.945 1.00 0.00 N ATOM 0 H GLN A 130 63.639 -0.135 -6.704 1.00 0.00 H new ATOM 0 HA GLN A 130 62.583 -1.897 -8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.096 1.083 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.070 0.078 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.599 -1.421 -7.185 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.694 -0.499 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 130 58.841 -0.855 -5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.102 0.748 -5.707 1.00 0.00 H new ATOM 543 N SER A 131 64.404 0.545 -9.856 1.00 0.00 N ATOM 544 CA SER A 131 65.013 1.043 -11.088 1.00 0.00 C ATOM 545 C SER A 131 66.289 0.288 -11.478 1.00 0.00 C ATOM 546 O SER A 131 67.058 0.778 -12.305 1.00 0.00 O ATOM 547 CB SER A 131 65.334 2.530 -10.932 1.00 0.00 C ATOM 548 OG SER A 131 64.121 3.260 -10.817 1.00 0.00 O ATOM 0 H SER A 131 64.677 1.049 -9.012 1.00 0.00 H new ATOM 0 HA SER A 131 64.289 0.882 -11.887 1.00 0.00 H new ATOM 0 HB2 SER A 131 65.954 2.690 -10.050 1.00 0.00 H new ATOM 0 HB3 SER A 131 65.905 2.883 -11.791 1.00 0.00 H new ATOM 0 HG SER A 131 63.949 3.463 -9.874 1.00 0.00 H new ATOM 554 N ASN A 132 66.527 -0.889 -10.897 1.00 0.00 N ATOM 555 CA ASN A 132 67.687 -1.694 -11.261 1.00 0.00 C ATOM 556 C ASN A 132 68.983 -0.945 -10.953 1.00 0.00 C ATOM 557 O ASN A 132 69.871 -0.819 -11.799 1.00 0.00 O ATOM 558 CB ASN A 132 67.620 -2.068 -12.746 1.00 0.00 C ATOM 559 CG ASN A 132 66.302 -2.772 -13.053 1.00 0.00 C ATOM 560 OD1 ASN A 132 65.636 -2.445 -14.034 1.00 0.00 O ATOM 561 ND2 ASN A 132 65.884 -3.725 -12.265 1.00 0.00 N ATOM 0 H ASN A 132 65.934 -1.302 -10.177 1.00 0.00 H new ATOM 0 HA ASN A 132 67.677 -2.608 -10.668 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.713 -1.171 -13.359 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.456 -2.718 -13.003 1.00 0.00 H new ATOM 0 HD21 ASN A 132 65.003 -4.200 -12.462 1.00 0.00 H new ATOM 0 HD22 ASN A 132 66.438 -3.994 -11.452 1.00 0.00 H new ATOM 568 N TYR A 133 69.089 -0.449 -9.722 1.00 0.00 N ATOM 569 CA TYR A 133 70.298 0.248 -9.281 1.00 0.00 C ATOM 570 C TYR A 133 70.872 -0.390 -8.002 1.00 0.00 C ATOM 571 O TYR A 133 71.242 0.321 -7.059 1.00 0.00 O ATOM 572 CB TYR A 133 69.958 1.720 -9.020 1.00 0.00 C ATOM 573 CG TYR A 133 69.842 2.563 -10.268 1.00 0.00 C ATOM 574 CD1 TYR A 133 68.606 2.690 -10.914 1.00 0.00 C ATOM 575 CD2 TYR A 133 70.965 3.228 -10.770 1.00 0.00 C ATOM 576 CE1 TYR A 133 68.495 3.481 -12.063 1.00 0.00 C ATOM 577 CE2 TYR A 133 70.856 4.017 -11.921 1.00 0.00 C ATOM 578 CZ TYR A 133 69.620 4.144 -12.568 1.00 0.00 C ATOM 579 OH TYR A 133 69.511 4.922 -13.702 1.00 0.00 O ATOM 0 H TYR A 133 68.357 -0.515 -9.015 1.00 0.00 H new ATOM 0 HA TYR A 133 71.053 0.170 -10.063 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.017 1.772 -8.472 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.726 2.149 -8.376 1.00 0.00 H new ATOM 0 HD1 TYR A 133 67.738 2.177 -10.525 1.00 0.00 H new ATOM 0 HD2 TYR A 133 71.917 3.133 -10.269 1.00 0.00 H new ATOM 0 HE1 TYR A 133 67.541 3.580 -12.560 1.00 0.00 H new ATOM 0 HE2 TYR A 133 71.724 4.528 -12.310 1.00 0.00 H new ATOM 0 HH TYR A 133 70.384 5.312 -13.916 1.00 0.00 H new ATOM 589 N PRO A 134 71.051 -1.696 -7.964 1.00 0.00 N ATOM 590 CA PRO A 134 71.508 -2.378 -6.712 1.00 0.00 C ATOM 591 C PRO A 134 72.826 -1.797 -6.205 1.00 0.00 C ATOM 592 O PRO A 134 73.010 -1.604 -5.004 1.00 0.00 O ATOM 593 CB PRO A 134 71.657 -3.854 -7.098 1.00 0.00 C ATOM 594 CG PRO A 134 71.714 -3.880 -8.588 1.00 0.00 C ATOM 595 CD PRO A 134 70.922 -2.665 -9.070 1.00 0.00 C ATOM 0 HA PRO A 134 70.800 -2.241 -5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.561 -4.282 -6.664 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.817 -4.442 -6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.745 -3.836 -8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.285 -4.803 -8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.328 -2.267 -10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 134 69.879 -2.918 -9.260 1.00 0.00 H new ATOM 603 N GLN A 135 73.733 -1.495 -7.128 1.00 0.00 N ATOM 604 CA GLN A 135 75.032 -0.942 -6.754 1.00 0.00 C ATOM 605 C GLN A 135 74.867 0.327 -5.921 1.00 0.00 C ATOM 606 O GLN A 135 75.601 0.547 -4.957 1.00 0.00 O ATOM 607 CB GLN A 135 75.846 -0.627 -8.012 1.00 0.00 C ATOM 608 CG GLN A 135 77.263 -0.211 -7.612 1.00 0.00 C ATOM 609 CD GLN A 135 78.028 0.276 -8.838 1.00 0.00 C ATOM 610 OE1 GLN A 135 77.586 1.200 -9.521 1.00 0.00 O ATOM 611 NE2 GLN A 135 79.159 -0.292 -9.158 1.00 0.00 N ATOM 0 H GLN A 135 73.596 -1.622 -8.131 1.00 0.00 H new ATOM 0 HA GLN A 135 75.558 -1.685 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.882 -1.501 -8.663 1.00 0.00 H new ATOM 0 HB3 GLN A 135 75.367 0.172 -8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 135 77.221 0.579 -6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 135 77.784 -1.054 -7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 135 79.524 -1.057 -8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 135 79.678 0.030 -9.975 1.00 0.00 H new ATOM 620 N TYR A 136 73.879 1.145 -6.269 1.00 0.00 N ATOM 621 CA TYR A 136 73.648 2.396 -5.554 1.00 0.00 C ATOM 622 C TYR A 136 73.160 2.108 -4.140 1.00 0.00 C ATOM 623 O TYR A 136 73.616 2.719 -3.175 1.00 0.00 O ATOM 624 CB TYR A 136 72.606 3.237 -6.292 1.00 0.00 C ATOM 625 CG TYR A 136 73.161 3.973 -7.490 1.00 0.00 C ATOM 626 CD1 TYR A 136 73.937 3.290 -8.433 1.00 0.00 C ATOM 627 CD2 TYR A 136 72.898 5.337 -7.655 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.451 3.972 -9.543 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.412 6.019 -8.765 1.00 0.00 C ATOM 630 CZ TYR A 136 74.187 5.337 -9.709 1.00 0.00 C ATOM 631 OH TYR A 136 74.693 6.009 -10.802 1.00 0.00 O ATOM 0 H TYR A 136 73.230 0.967 -7.035 1.00 0.00 H new ATOM 0 HA TYR A 136 74.587 2.948 -5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 136 71.793 2.589 -6.619 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.177 3.960 -5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.140 2.237 -8.305 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.299 5.864 -6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.051 3.445 -10.271 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.210 7.072 -8.892 1.00 0.00 H new ATOM 0 HH TYR A 136 74.415 6.948 -10.766 1.00 0.00 H new ATOM 641 N VAL A 137 72.253 1.141 -4.019 1.00 0.00 N ATOM 642 CA VAL A 137 71.709 0.761 -2.717 1.00 0.00 C ATOM 643 C VAL A 137 72.841 0.386 -1.763 1.00 0.00 C ATOM 644 O VAL A 137 72.845 0.788 -0.602 1.00 0.00 O ATOM 645 CB VAL A 137 70.748 -0.424 -2.881 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.133 -0.816 -1.533 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.619 -0.032 -3.838 1.00 0.00 C ATOM 0 H VAL A 137 71.880 0.608 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 137 71.164 1.608 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 137 71.309 -1.270 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.455 -1.658 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 137 70.925 -1.100 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.580 0.030 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 137 68.934 -0.872 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.078 0.823 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.040 0.233 -4.808 1.00 0.00 H new ATOM 657 N VAL A 138 73.810 -0.365 -2.270 1.00 0.00 N ATOM 658 CA VAL A 138 74.915 -0.826 -1.438 1.00 0.00 C ATOM 659 C VAL A 138 75.763 0.352 -0.969 1.00 0.00 C ATOM 660 O VAL A 138 75.996 0.523 0.226 1.00 0.00 O ATOM 661 CB VAL A 138 75.783 -1.825 -2.217 1.00 0.00 C ATOM 662 CG1 VAL A 138 76.896 -2.374 -1.318 1.00 0.00 C ATOM 663 CG2 VAL A 138 74.919 -2.992 -2.701 1.00 0.00 C ATOM 0 H VAL A 138 73.854 -0.666 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 138 74.502 -1.324 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 138 76.225 -1.310 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.504 -3.081 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.523 -1.552 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.454 -2.880 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.538 -3.699 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.472 -3.494 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.130 -2.615 -3.352 1.00 0.00 H new ATOM 673 N SER A 139 76.195 1.186 -1.909 1.00 0.00 N ATOM 674 CA SER A 139 77.077 2.303 -1.579 1.00 0.00 C ATOM 675 C SER A 139 76.465 3.185 -0.491 1.00 0.00 C ATOM 676 O SER A 139 77.167 3.672 0.395 1.00 0.00 O ATOM 677 CB SER A 139 77.338 3.145 -2.828 1.00 0.00 C ATOM 678 OG SER A 139 77.849 2.307 -3.857 1.00 0.00 O ATOM 0 H SER A 139 75.952 1.112 -2.897 1.00 0.00 H new ATOM 0 HA SER A 139 78.016 1.894 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 139 76.416 3.625 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 139 78.049 3.940 -2.603 1.00 0.00 H new ATOM 0 HG SER A 139 77.109 1.836 -4.294 1.00 0.00 H new ATOM 684 N ARG A 140 75.154 3.382 -0.568 1.00 0.00 N ATOM 685 CA ARG A 140 74.454 4.224 0.395 1.00 0.00 C ATOM 686 C ARG A 140 74.356 3.550 1.759 1.00 0.00 C ATOM 687 O ARG A 140 74.773 4.120 2.765 1.00 0.00 O ATOM 688 CB ARG A 140 73.050 4.542 -0.124 1.00 0.00 C ATOM 689 CG ARG A 140 72.407 5.618 0.751 1.00 0.00 C ATOM 690 CD ARG A 140 70.978 5.878 0.267 1.00 0.00 C ATOM 691 NE ARG A 140 70.383 6.990 1.012 1.00 0.00 N ATOM 692 CZ ARG A 140 70.509 8.276 0.649 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.194 8.641 -0.408 1.00 0.00 N ATOM 694 NH2 ARG A 140 69.932 9.195 1.374 1.00 0.00 N ATOM 0 H ARG A 140 74.556 2.972 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 140 75.024 5.146 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.103 4.884 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.437 3.641 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.398 5.298 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 140 72.991 6.537 0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 140 70.984 6.107 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.374 4.980 0.397 1.00 0.00 H new ATOM 0 HE ARG A 140 69.844 6.776 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.654 7.937 -0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.267 9.629 -0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.396 8.931 2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.017 10.178 1.114 1.00 0.00 H new ATOM 708 N PHE A 141 73.845 2.324 1.791 1.00 0.00 N ATOM 709 CA PHE A 141 73.637 1.628 3.058 1.00 0.00 C ATOM 710 C PHE A 141 74.932 1.519 3.863 1.00 0.00 C ATOM 711 O PHE A 141 74.908 1.540 5.094 1.00 0.00 O ATOM 712 CB PHE A 141 73.074 0.230 2.793 1.00 0.00 C ATOM 713 CG PHE A 141 72.755 -0.539 4.053 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.528 -0.345 4.697 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.687 -1.442 4.579 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.230 -1.055 5.867 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.389 -2.153 5.748 1.00 0.00 C ATOM 718 CZ PHE A 141 72.162 -1.960 6.392 1.00 0.00 C ATOM 0 H PHE A 141 73.569 1.795 0.964 1.00 0.00 H new ATOM 0 HA PHE A 141 72.926 2.209 3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.169 0.319 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.794 -0.337 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.810 0.353 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.635 -1.590 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.283 -0.905 6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.107 -2.851 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.933 -2.509 7.294 1.00 0.00 H new ATOM 728 N GLU A 142 76.062 1.405 3.169 1.00 0.00 N ATOM 729 CA GLU A 142 77.351 1.230 3.834 1.00 0.00 C ATOM 730 C GLU A 142 77.906 2.527 4.435 1.00 0.00 C ATOM 731 O GLU A 142 78.864 2.472 5.206 1.00 0.00 O ATOM 732 CB GLU A 142 78.367 0.667 2.838 1.00 0.00 C ATOM 733 CG GLU A 142 77.945 -0.745 2.419 1.00 0.00 C ATOM 734 CD GLU A 142 78.976 -1.377 1.480 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.737 -0.647 0.863 1.00 0.00 O ATOM 736 OE2 GLU A 142 78.981 -2.593 1.383 1.00 0.00 O ATOM 0 H GLU A 142 76.112 1.430 2.151 1.00 0.00 H new ATOM 0 HA GLU A 142 77.185 0.539 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.431 1.314 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.359 0.643 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.825 -1.369 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 142 76.975 -0.705 1.924 1.00 0.00 H new ATOM 743 N THR A 143 77.330 3.682 4.097 1.00 0.00 N ATOM 744 CA THR A 143 77.812 4.952 4.635 1.00 0.00 C ATOM 745 C THR A 143 77.191 5.214 6.014 1.00 0.00 C ATOM 746 O THR A 143 76.009 5.553 6.075 1.00 0.00 O ATOM 747 CB THR A 143 77.412 6.086 3.689 1.00 0.00 C ATOM 748 OG1 THR A 143 77.637 5.681 2.346 1.00 0.00 O ATOM 749 CG2 THR A 143 78.248 7.329 3.996 1.00 0.00 C ATOM 0 H THR A 143 76.538 3.763 3.460 1.00 0.00 H new ATOM 0 HA THR A 143 78.897 4.906 4.731 1.00 0.00 H new ATOM 0 HB THR A 143 76.356 6.319 3.827 1.00 0.00 H new ATOM 0 HG1 THR A 143 76.905 5.099 2.053 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.962 8.136 3.321 1.00 0.00 H new ATOM 0 HG22 THR A 143 78.074 7.639 5.026 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.305 7.100 3.859 1.00 0.00 H new ATOM 757 N PRO A 144 77.923 5.116 7.109 1.00 0.00 N ATOM 758 CA PRO A 144 77.309 5.254 8.471 1.00 0.00 C ATOM 759 C PRO A 144 76.583 6.587 8.683 1.00 0.00 C ATOM 760 O PRO A 144 75.792 6.723 9.616 1.00 0.00 O ATOM 761 CB PRO A 144 78.485 5.120 9.446 1.00 0.00 C ATOM 762 CG PRO A 144 79.578 4.473 8.669 1.00 0.00 C ATOM 763 CD PRO A 144 79.381 4.914 7.222 1.00 0.00 C ATOM 0 HA PRO A 144 76.539 4.497 8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.795 6.095 9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.210 4.517 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.556 4.779 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.530 3.388 8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.930 5.831 7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.735 4.157 6.522 1.00 0.00 H new ATOM 771 N GLY A 145 76.850 7.567 7.823 1.00 0.00 N ATOM 772 CA GLY A 145 76.250 8.891 7.973 1.00 0.00 C ATOM 773 C GLY A 145 74.747 8.901 7.679 1.00 0.00 C ATOM 774 O GLY A 145 74.032 9.788 8.144 1.00 0.00 O ATOM 0 H GLY A 145 77.473 7.471 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.419 9.248 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.751 9.589 7.303 1.00 0.00 H new ATOM 778 N ILE A 146 74.262 7.925 6.913 1.00 0.00 N ATOM 779 CA ILE A 146 72.857 7.896 6.519 1.00 0.00 C ATOM 780 C ILE A 146 72.084 6.907 7.388 1.00 0.00 C ATOM 781 O ILE A 146 72.577 5.827 7.713 1.00 0.00 O ATOM 782 CB ILE A 146 72.737 7.514 5.037 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.532 8.508 4.184 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.269 7.553 4.604 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.646 7.985 2.752 1.00 0.00 C ATOM 0 H ILE A 146 74.819 7.149 6.555 1.00 0.00 H new ATOM 0 HA ILE A 146 72.429 8.888 6.662 1.00 0.00 H new ATOM 0 HB ILE A 146 73.132 6.507 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.039 9.480 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.526 8.653 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.193 7.281 3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.694 6.848 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.874 8.559 4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.212 8.695 2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.158 7.023 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.649 7.864 2.329 1.00 0.00 H new ATOM 797 N ALA A 147 70.867 7.293 7.757 1.00 0.00 N ATOM 798 CA ALA A 147 70.037 6.478 8.636 1.00 0.00 C ATOM 799 C ALA A 147 69.709 5.127 8.005 1.00 0.00 C ATOM 800 O ALA A 147 69.763 4.951 6.783 1.00 0.00 O ATOM 801 CB ALA A 147 68.742 7.225 8.966 1.00 0.00 C ATOM 0 H ALA A 147 70.433 8.167 7.460 1.00 0.00 H new ATOM 0 HA ALA A 147 70.599 6.293 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.125 6.612 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.981 8.164 9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.196 7.432 8.045 1.00 0.00 H new ATOM 807 N SER A 148 69.407 4.159 8.866 1.00 0.00 N ATOM 808 CA SER A 148 68.978 2.845 8.410 1.00 0.00 C ATOM 809 C SER A 148 67.904 2.284 9.338 1.00 0.00 C ATOM 810 O SER A 148 68.000 2.395 10.561 1.00 0.00 O ATOM 811 CB SER A 148 70.172 1.890 8.370 1.00 0.00 C ATOM 812 OG SER A 148 70.558 1.569 9.700 1.00 0.00 O ATOM 0 H SER A 148 69.452 4.261 9.880 1.00 0.00 H new ATOM 0 HA SER A 148 68.562 2.945 7.408 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.909 0.983 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 148 71.004 2.351 7.838 1.00 0.00 H new ATOM 0 HG SER A 148 71.322 0.956 9.680 1.00 0.00 H new ATOM 818 N SER A 149 66.884 1.683 8.738 1.00 0.00 N ATOM 819 CA SER A 149 65.798 1.059 9.487 1.00 0.00 C ATOM 820 C SER A 149 65.632 -0.391 9.031 1.00 0.00 C ATOM 821 O SER A 149 66.177 -0.762 7.992 1.00 0.00 O ATOM 822 CB SER A 149 64.490 1.825 9.262 1.00 0.00 C ATOM 823 OG SER A 149 64.454 2.332 7.933 1.00 0.00 O ATOM 0 H SER A 149 66.785 1.614 7.725 1.00 0.00 H new ATOM 0 HA SER A 149 66.040 1.082 10.550 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.638 1.167 9.434 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.410 2.644 9.976 1.00 0.00 H new ATOM 0 HG SER A 149 63.616 2.820 7.792 1.00 0.00 H new ATOM 829 N PRO A 150 64.922 -1.223 9.764 1.00 0.00 N ATOM 830 CA PRO A 150 64.713 -2.648 9.350 1.00 0.00 C ATOM 831 C PRO A 150 64.332 -2.777 7.874 1.00 0.00 C ATOM 832 O PRO A 150 64.873 -3.617 7.153 1.00 0.00 O ATOM 833 CB PRO A 150 63.576 -3.128 10.252 1.00 0.00 C ATOM 834 CG PRO A 150 63.691 -2.305 11.489 1.00 0.00 C ATOM 835 CD PRO A 150 64.265 -0.954 11.063 1.00 0.00 C ATOM 0 HA PRO A 150 65.624 -3.238 9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.607 -2.988 9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.671 -4.191 10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.718 -2.180 11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.341 -2.790 12.218 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.481 -0.203 10.963 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.977 -0.576 11.797 1.00 0.00 H new ATOM 843 N GLU A 151 63.424 -1.918 7.421 1.00 0.00 N ATOM 844 CA GLU A 151 63.022 -1.923 6.020 1.00 0.00 C ATOM 845 C GLU A 151 64.233 -1.687 5.121 1.00 0.00 C ATOM 846 O GLU A 151 64.432 -2.391 4.130 1.00 0.00 O ATOM 847 CB GLU A 151 61.978 -0.832 5.771 1.00 0.00 C ATOM 848 CG GLU A 151 60.718 -1.133 6.590 1.00 0.00 C ATOM 849 CD GLU A 151 59.612 -0.113 6.307 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.911 0.963 5.813 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.468 -0.430 6.592 1.00 0.00 O ATOM 0 H GLU A 151 62.957 -1.217 7.997 1.00 0.00 H new ATOM 0 HA GLU A 151 62.590 -2.896 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.381 0.142 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.732 -0.784 4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.360 -2.135 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.962 -1.123 7.652 1.00 0.00 H new ATOM 858 N CYS A 152 65.056 -0.709 5.486 1.00 0.00 N ATOM 859 CA CYS A 152 66.245 -0.398 4.701 1.00 0.00 C ATOM 860 C CYS A 152 67.156 -1.617 4.603 1.00 0.00 C ATOM 861 O CYS A 152 67.708 -1.908 3.546 1.00 0.00 O ATOM 862 CB CYS A 152 67.017 0.757 5.343 1.00 0.00 C ATOM 863 SG CYS A 152 65.935 2.200 5.488 1.00 0.00 S ATOM 0 H CYS A 152 64.924 -0.124 6.311 1.00 0.00 H new ATOM 0 HA CYS A 152 65.924 -0.109 3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.381 0.462 6.327 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.891 1.004 4.740 1.00 0.00 H new ATOM 0 HG CYS A 152 65.359 2.195 6.654 1.00 0.00 H new ATOM 869 N MET A 153 67.298 -2.338 5.710 1.00 0.00 N ATOM 870 CA MET A 153 68.180 -3.498 5.749 1.00 0.00 C ATOM 871 C MET A 153 67.764 -4.518 4.697 1.00 0.00 C ATOM 872 O MET A 153 68.598 -5.041 3.960 1.00 0.00 O ATOM 873 CB MET A 153 68.135 -4.144 7.137 1.00 0.00 C ATOM 874 CG MET A 153 68.655 -3.162 8.192 1.00 0.00 C ATOM 875 SD MET A 153 69.418 -4.086 9.548 1.00 0.00 S ATOM 876 CE MET A 153 70.879 -4.659 8.646 1.00 0.00 C ATOM 0 H MET A 153 66.817 -2.141 6.587 1.00 0.00 H new ATOM 0 HA MET A 153 69.197 -3.167 5.537 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.113 -4.439 7.376 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.739 -5.051 7.144 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.382 -2.483 7.746 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.836 -2.550 8.570 1.00 0.00 H new ATOM 0 HE1 MET A 153 70.906 -5.749 8.651 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.835 -4.302 7.617 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.778 -4.272 9.126 1.00 0.00 H new ATOM 886 N GLU A 154 66.465 -4.782 4.617 1.00 0.00 N ATOM 887 CA GLU A 154 65.955 -5.742 3.645 1.00 0.00 C ATOM 888 C GLU A 154 66.322 -5.305 2.230 1.00 0.00 C ATOM 889 O GLU A 154 66.813 -6.098 1.427 1.00 0.00 O ATOM 890 CB GLU A 154 64.434 -5.860 3.771 1.00 0.00 C ATOM 891 CG GLU A 154 64.081 -6.482 5.123 1.00 0.00 C ATOM 892 CD GLU A 154 62.578 -6.719 5.211 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.855 -5.754 5.399 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.170 -7.863 5.091 1.00 0.00 O ATOM 0 H GLU A 154 65.753 -4.351 5.206 1.00 0.00 H new ATOM 0 HA GLU A 154 66.407 -6.714 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 154 63.973 -4.876 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.038 -6.474 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.614 -7.424 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.402 -5.824 5.930 1.00 0.00 H new ATOM 901 N LEU A 155 66.104 -4.029 1.942 1.00 0.00 N ATOM 902 CA LEU A 155 66.412 -3.491 0.621 1.00 0.00 C ATOM 903 C LEU A 155 67.889 -3.699 0.289 1.00 0.00 C ATOM 904 O LEU A 155 68.244 -4.099 -0.820 1.00 0.00 O ATOM 905 CB LEU A 155 66.062 -1.998 0.586 1.00 0.00 C ATOM 906 CG LEU A 155 64.559 -1.815 0.837 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.269 -0.352 1.181 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.759 -2.189 -0.413 1.00 0.00 C ATOM 0 H LEU A 155 65.718 -3.350 2.599 1.00 0.00 H new ATOM 0 HA LEU A 155 65.819 -4.018 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.635 -1.462 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.334 -1.573 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 155 64.267 -2.463 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.201 -0.225 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.822 -0.073 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.577 0.285 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.695 -2.054 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.060 -1.549 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 155 63.951 -3.231 -0.670 1.00 0.00 H new ATOM 920 N TYR A 156 68.745 -3.461 1.273 1.00 0.00 N ATOM 921 CA TYR A 156 70.185 -3.617 1.095 1.00 0.00 C ATOM 922 C TYR A 156 70.527 -5.052 0.708 1.00 0.00 C ATOM 923 O TYR A 156 71.291 -5.294 -0.226 1.00 0.00 O ATOM 924 CB TYR A 156 70.884 -3.237 2.403 1.00 0.00 C ATOM 925 CG TYR A 156 72.380 -3.460 2.412 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.200 -2.781 1.504 1.00 0.00 C ATOM 927 CD2 TYR A 156 72.945 -4.338 3.344 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.586 -2.981 1.530 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.330 -4.539 3.368 1.00 0.00 C ATOM 930 CZ TYR A 156 75.151 -3.860 2.462 1.00 0.00 C ATOM 931 OH TYR A 156 76.516 -4.057 2.486 1.00 0.00 O ATOM 0 H TYR A 156 68.468 -3.158 2.207 1.00 0.00 H new ATOM 0 HA TYR A 156 70.526 -2.965 0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.687 -2.186 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.440 -3.812 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.765 -2.104 0.784 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.312 -4.861 4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.220 -2.457 0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.765 -5.218 4.086 1.00 0.00 H new ATOM 0 HH TYR A 156 76.960 -3.333 1.996 1.00 0.00 H new ATOM 941 N MET A 157 69.935 -6.004 1.417 1.00 0.00 N ATOM 942 CA MET A 157 70.201 -7.415 1.163 1.00 0.00 C ATOM 943 C MET A 157 69.873 -7.766 -0.285 1.00 0.00 C ATOM 944 O MET A 157 70.656 -8.424 -0.972 1.00 0.00 O ATOM 945 CB MET A 157 69.359 -8.270 2.113 1.00 0.00 C ATOM 946 CG MET A 157 69.693 -9.752 1.925 1.00 0.00 C ATOM 947 SD MET A 157 68.694 -10.742 3.065 1.00 0.00 S ATOM 948 CE MET A 157 67.080 -10.384 2.330 1.00 0.00 C ATOM 0 H MET A 157 69.270 -5.827 2.170 1.00 0.00 H new ATOM 0 HA MET A 157 71.259 -7.615 1.335 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.549 -7.975 3.145 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.299 -8.101 1.923 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.496 -10.053 0.896 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.753 -9.924 2.110 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.403 -11.218 2.515 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.670 -9.478 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.193 -10.241 1.255 1.00 0.00 H new ATOM 958 N GLU A 158 68.723 -7.300 -0.753 1.00 0.00 N ATOM 959 CA GLU A 158 68.281 -7.612 -2.107 1.00 0.00 C ATOM 960 C GLU A 158 69.308 -7.130 -3.126 1.00 0.00 C ATOM 961 O GLU A 158 69.686 -7.867 -4.038 1.00 0.00 O ATOM 962 CB GLU A 158 66.932 -6.948 -2.386 1.00 0.00 C ATOM 963 CG GLU A 158 65.869 -7.531 -1.446 1.00 0.00 C ATOM 964 CD GLU A 158 64.483 -6.961 -1.753 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.398 -5.906 -2.364 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.514 -7.588 -1.356 1.00 0.00 O ATOM 0 H GLU A 158 68.084 -6.710 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 158 68.175 -8.693 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.009 -5.870 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.643 -7.111 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.848 -8.616 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.134 -7.311 -0.412 1.00 0.00 H new ATOM 973 N ALA A 159 69.780 -5.901 -2.949 1.00 0.00 N ATOM 974 CA ALA A 159 70.745 -5.331 -3.883 1.00 0.00 C ATOM 975 C ALA A 159 71.997 -6.199 -3.948 1.00 0.00 C ATOM 976 O ALA A 159 72.504 -6.503 -5.027 1.00 0.00 O ATOM 977 CB ALA A 159 71.125 -3.914 -3.454 1.00 0.00 C ATOM 0 H ALA A 159 69.515 -5.287 -2.179 1.00 0.00 H new ATOM 0 HA ALA A 159 70.286 -5.294 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.846 -3.501 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.233 -3.287 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.568 -3.942 -2.458 1.00 0.00 H new ATOM 983 N LEU A 160 72.474 -6.629 -2.785 1.00 0.00 N ATOM 984 CA LEU A 160 73.686 -7.439 -2.719 1.00 0.00 C ATOM 985 C LEU A 160 73.542 -8.692 -3.573 1.00 0.00 C ATOM 986 O LEU A 160 74.455 -9.065 -4.307 1.00 0.00 O ATOM 987 CB LEU A 160 73.967 -7.852 -1.272 1.00 0.00 C ATOM 988 CG LEU A 160 74.326 -6.619 -0.441 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.365 -6.999 1.042 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.700 -6.099 -0.873 1.00 0.00 C ATOM 0 H LEU A 160 72.044 -6.432 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 160 74.514 -6.839 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.092 -8.345 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.784 -8.572 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 160 73.578 -5.842 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.621 -6.121 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.388 -7.372 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.115 -7.775 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 160 75.959 -5.220 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.449 -6.875 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.672 -5.831 -1.929 1.00 0.00 H new ATOM 1002 N GLN A 161 72.386 -9.336 -3.465 1.00 0.00 N ATOM 1003 CA GLN A 161 72.130 -10.549 -4.232 1.00 0.00 C ATOM 1004 C GLN A 161 72.247 -10.265 -5.725 1.00 0.00 C ATOM 1005 O GLN A 161 72.922 -10.986 -6.456 1.00 0.00 O ATOM 1006 CB GLN A 161 70.731 -11.082 -3.918 1.00 0.00 C ATOM 1007 CG GLN A 161 70.646 -11.459 -2.438 1.00 0.00 C ATOM 1008 CD GLN A 161 69.304 -12.122 -2.144 1.00 0.00 C ATOM 1009 OE1 GLN A 161 69.117 -13.303 -2.437 1.00 0.00 O ATOM 1010 NE2 GLN A 161 68.354 -11.428 -1.578 1.00 0.00 N ATOM 0 H GLN A 161 71.618 -9.043 -2.861 1.00 0.00 H new ATOM 0 HA GLN A 161 72.871 -11.299 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.981 -10.327 -4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.514 -11.952 -4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.460 -12.137 -2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.764 -10.569 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 161 68.512 -10.450 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 161 67.454 -11.864 -1.377 1.00 0.00 H new ATOM 1019 N ARG A 162 71.633 -9.171 -6.159 1.00 0.00 N ATOM 1020 CA ARG A 162 71.619 -8.826 -7.577 1.00 0.00 C ATOM 1021 C ARG A 162 73.035 -8.718 -8.133 1.00 0.00 C ATOM 1022 O ARG A 162 73.311 -9.167 -9.245 1.00 0.00 O ATOM 1023 CB ARG A 162 70.894 -7.492 -7.779 1.00 0.00 C ATOM 1024 CG ARG A 162 69.439 -7.603 -7.305 1.00 0.00 C ATOM 1025 CD ARG A 162 68.548 -6.658 -8.117 1.00 0.00 C ATOM 1026 NE ARG A 162 68.409 -7.148 -9.492 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.365 -6.853 -10.281 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.376 -6.094 -9.877 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.334 -7.338 -11.493 1.00 0.00 N ATOM 0 H ARG A 162 71.142 -8.511 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 162 71.096 -9.619 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.405 -6.704 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.921 -7.211 -8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 162 69.090 -8.630 -7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.374 -7.356 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.566 -6.581 -7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.978 -5.656 -8.122 1.00 0.00 H new ATOM 0 HE ARG A 162 69.145 -7.745 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.384 -5.706 -8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 162 65.599 -5.892 -10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 162 68.095 -7.930 -11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 162 66.548 -7.125 -12.108 1.00 0.00 H new ATOM 1043 N ILE A 163 73.930 -8.120 -7.354 1.00 0.00 N ATOM 1044 CA ILE A 163 75.295 -7.875 -7.826 1.00 0.00 C ATOM 1045 C ILE A 163 76.260 -9.032 -7.537 1.00 0.00 C ATOM 1046 O ILE A 163 77.474 -8.861 -7.640 1.00 0.00 O ATOM 1047 CB ILE A 163 75.835 -6.582 -7.212 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.804 -6.679 -5.684 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.963 -5.411 -7.673 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.534 -5.480 -5.074 1.00 0.00 C ATOM 0 H ILE A 163 73.742 -7.798 -6.404 1.00 0.00 H new ATOM 0 HA ILE A 163 75.235 -7.784 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 163 76.864 -6.425 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.772 -6.706 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.275 -7.607 -5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.340 -4.484 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 163 74.992 -5.342 -8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.935 -5.572 -7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.509 -5.554 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.570 -5.473 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.044 -4.558 -5.387 1.00 0.00 H new ATOM 1062 N GLY A 164 75.735 -10.201 -7.177 1.00 0.00 N ATOM 1063 CA GLY A 164 76.571 -11.387 -6.997 1.00 0.00 C ATOM 1064 C GLY A 164 77.433 -11.337 -5.733 1.00 0.00 C ATOM 1065 O GLY A 164 78.425 -12.059 -5.635 1.00 0.00 O ATOM 0 H GLY A 164 74.741 -10.353 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.933 -12.270 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.219 -11.501 -7.866 1.00 0.00 H new ATOM 1069 N ARG A 165 77.066 -10.495 -4.769 1.00 0.00 N ATOM 1070 CA ARG A 165 77.792 -10.433 -3.505 1.00 0.00 C ATOM 1071 C ARG A 165 77.085 -11.277 -2.450 1.00 0.00 C ATOM 1072 O ARG A 165 76.195 -10.795 -1.749 1.00 0.00 O ATOM 1073 CB ARG A 165 77.902 -8.983 -3.027 1.00 0.00 C ATOM 1074 CG ARG A 165 78.804 -8.201 -3.984 1.00 0.00 C ATOM 1075 CD ARG A 165 79.074 -6.809 -3.412 1.00 0.00 C ATOM 1076 NE ARG A 165 79.803 -5.993 -4.385 1.00 0.00 N ATOM 1077 CZ ARG A 165 80.578 -4.950 -4.047 1.00 0.00 C ATOM 1078 NH1 ARG A 165 80.741 -4.577 -2.801 1.00 0.00 N ATOM 1079 NH2 ARG A 165 81.188 -4.285 -4.989 1.00 0.00 N ATOM 0 H ARG A 165 76.277 -9.852 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 165 78.795 -10.829 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.913 -8.526 -2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.310 -8.951 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.744 -8.733 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.329 -8.118 -4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 165 78.132 -6.325 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.652 -6.892 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 165 79.717 -6.230 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 165 80.271 -5.084 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 165 81.338 -3.779 -2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 165 81.072 -4.560 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 165 81.781 -3.490 -4.750 1.00 0.00 H new