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= 1.06 USER MOD Set 1.2: A 152 CYS SG : rot 94:sc= 0.597 USER MOD Single : A 103 MET CE :methyl 130:sc= -0.14 (180deg=-1.01) USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000298 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= -0.773 K(o=-0.77,f=-2.9!) USER MOD Single : A 113 LYS NZ :NH3+ -164:sc=-0.00295 (180deg=-0.297) 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= 0.963 K(o=0.96,f=-7.8!) 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 X(o=0,f=-0.03) USER MOD Single : A 131 SER OG : rot 100:sc= -1.2 USER MOD Single : A 132 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.062) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot -42:sc= 0.997 USER MOD Single : A 143 THR OG1 : rot 73:sc= 0.176 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -119:sc= -0.323 (180deg=-2.38!) USER MOD Single : A 156 TYR OH : rot 18:sc= 0.116 USER MOD Single : A 157 MET CE :methyl 140:sc= -0.232 (180deg=-1.36!) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.383 10.920 -11.053 1.00 0.00 N ATOM 101 CA MET A 103 59.977 10.512 -9.711 1.00 0.00 C ATOM 102 C MET A 103 61.193 10.146 -8.864 1.00 0.00 C ATOM 103 O MET A 103 61.326 10.589 -7.722 1.00 0.00 O ATOM 104 CB MET A 103 59.031 9.312 -9.794 1.00 0.00 C ATOM 105 CG MET A 103 57.742 9.725 -10.505 1.00 0.00 C ATOM 106 SD MET A 103 56.542 8.373 -10.412 1.00 0.00 S ATOM 107 CE MET A 103 56.141 8.546 -8.656 1.00 0.00 C ATOM 0 HA MET A 103 59.463 11.350 -9.240 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.510 8.495 -10.333 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.805 8.944 -8.793 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.331 10.623 -10.043 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.951 9.969 -11.547 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.059 8.577 -8.531 1.00 0.00 H new ATOM 0 HE2 MET A 103 56.546 7.697 -8.105 1.00 0.00 H new ATOM 0 HE3 MET A 103 56.577 9.468 -8.272 1.00 0.00 H new ATOM 117 N LEU A 104 62.095 9.357 -9.441 1.00 0.00 N ATOM 118 CA LEU A 104 63.295 8.935 -8.725 1.00 0.00 C ATOM 119 C LEU A 104 64.083 10.144 -8.229 1.00 0.00 C ATOM 120 O LEU A 104 64.483 10.203 -7.067 1.00 0.00 O ATOM 121 CB LEU A 104 64.187 8.094 -9.642 1.00 0.00 C ATOM 122 CG LEU A 104 63.428 6.852 -10.116 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.275 6.097 -11.143 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.147 5.938 -8.921 1.00 0.00 C ATOM 0 H LEU A 104 62.020 9.000 -10.393 1.00 0.00 H new ATOM 0 HA LEU A 104 62.984 8.338 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.502 8.687 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.091 7.797 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 104 62.486 7.156 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.735 5.213 -11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.478 6.746 -11.995 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.217 5.794 -10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.607 5.054 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.090 5.635 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.544 6.473 -8.187 1.00 0.00 H new ATOM 136 N ALA A 105 64.280 11.121 -9.107 1.00 0.00 N ATOM 137 CA ALA A 105 65.086 12.288 -8.765 1.00 0.00 C ATOM 138 C ALA A 105 64.498 13.037 -7.574 1.00 0.00 C ATOM 139 O ALA A 105 65.205 13.340 -6.616 1.00 0.00 O ATOM 140 CB ALA A 105 65.181 13.229 -9.967 1.00 0.00 C ATOM 0 H ALA A 105 63.897 11.130 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 105 66.082 11.939 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.784 14.097 -9.702 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.645 12.706 -10.803 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.181 13.556 -10.253 1.00 0.00 H new ATOM 146 N THR A 106 63.199 13.318 -7.619 1.00 0.00 N ATOM 147 CA THR A 106 62.547 14.063 -6.542 1.00 0.00 C ATOM 148 C THR A 106 62.807 13.415 -5.182 1.00 0.00 C ATOM 149 O THR A 106 63.283 14.067 -4.250 1.00 0.00 O ATOM 150 CB THR A 106 61.040 14.129 -6.795 1.00 0.00 C ATOM 151 OG1 THR A 106 60.803 14.630 -8.103 1.00 0.00 O ATOM 152 CG2 THR A 106 60.386 15.054 -5.767 1.00 0.00 C ATOM 0 H THR A 106 62.580 13.045 -8.382 1.00 0.00 H new ATOM 0 HA THR A 106 62.965 15.070 -6.528 1.00 0.00 H new ATOM 0 HB THR A 106 60.613 13.130 -6.704 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.838 14.671 -8.268 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.312 15.099 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.568 14.669 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.811 16.054 -5.855 1.00 0.00 H new ATOM 160 N ARG A 107 62.517 12.123 -5.081 1.00 0.00 N ATOM 161 CA ARG A 107 62.702 11.411 -3.821 1.00 0.00 C ATOM 162 C ARG A 107 64.145 11.524 -3.335 1.00 0.00 C ATOM 163 O ARG A 107 64.387 11.788 -2.156 1.00 0.00 O ATOM 164 CB ARG A 107 62.323 9.938 -3.994 1.00 0.00 C ATOM 165 CG ARG A 107 60.865 9.833 -4.450 1.00 0.00 C ATOM 166 CD ARG A 107 59.932 10.220 -3.300 1.00 0.00 C ATOM 167 NE ARG A 107 58.540 9.934 -3.661 1.00 0.00 N ATOM 168 CZ ARG A 107 57.488 10.339 -2.932 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.628 11.031 -1.827 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.286 10.033 -3.337 1.00 0.00 N ATOM 0 H ARG A 107 62.157 11.552 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 107 62.053 11.866 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 107 62.979 9.467 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.460 9.404 -3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.694 10.487 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.650 8.816 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.203 9.668 -2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.046 11.279 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 107 58.362 9.399 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.560 11.279 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 107 56.805 11.321 -1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.158 9.495 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.474 10.332 -2.797 1.00 0.00 H new ATOM 184 N GLU A 108 65.103 11.347 -4.242 1.00 0.00 N ATOM 185 CA GLU A 108 66.510 11.419 -3.865 1.00 0.00 C ATOM 186 C GLU A 108 66.845 12.794 -3.295 1.00 0.00 C ATOM 187 O GLU A 108 67.585 12.899 -2.320 1.00 0.00 O ATOM 188 CB GLU A 108 67.403 11.117 -5.073 1.00 0.00 C ATOM 189 CG GLU A 108 68.876 11.097 -4.638 1.00 0.00 C ATOM 190 CD GLU A 108 69.801 10.659 -5.778 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.352 10.575 -6.912 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.962 10.412 -5.495 1.00 0.00 O ATOM 0 H GLU A 108 64.933 11.155 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 108 66.696 10.670 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.129 10.156 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.253 11.871 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.167 12.090 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 108 68.996 10.420 -3.792 1.00 0.00 H new ATOM 199 N GLN A 109 66.293 13.843 -3.894 1.00 0.00 N ATOM 200 CA GLN A 109 66.578 15.201 -3.444 1.00 0.00 C ATOM 201 C GLN A 109 66.204 15.363 -1.976 1.00 0.00 C ATOM 202 O GLN A 109 66.971 15.911 -1.186 1.00 0.00 O ATOM 203 CB GLN A 109 65.800 16.213 -4.287 1.00 0.00 C ATOM 204 CG GLN A 109 66.380 16.255 -5.703 1.00 0.00 C ATOM 205 CD GLN A 109 65.545 17.172 -6.592 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.375 17.428 -6.304 1.00 0.00 O ATOM 207 NE2 GLN A 109 66.080 17.686 -7.665 1.00 0.00 N ATOM 0 H GLN A 109 65.652 13.781 -4.685 1.00 0.00 H new ATOM 0 HA GLN A 109 67.646 15.384 -3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 109 64.746 15.938 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 109 65.856 17.201 -3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 109 67.410 16.609 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.401 15.250 -6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 109 67.049 17.474 -7.903 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.530 18.300 -8.265 1.00 0.00 H new ATOM 216 N GLU A 110 65.036 14.850 -1.610 1.00 0.00 N ATOM 217 CA GLU A 110 64.572 14.957 -0.231 1.00 0.00 C ATOM 218 C GLU A 110 65.534 14.245 0.714 1.00 0.00 C ATOM 219 O GLU A 110 65.951 14.801 1.729 1.00 0.00 O ATOM 220 CB GLU A 110 63.174 14.351 -0.096 1.00 0.00 C ATOM 221 CG GLU A 110 62.181 15.158 -0.940 1.00 0.00 C ATOM 222 CD GLU A 110 60.752 14.640 -0.765 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.582 13.504 -0.349 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.839 15.391 -1.068 1.00 0.00 O ATOM 0 H GLU A 110 64.399 14.361 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 110 64.533 16.013 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.184 13.311 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.865 14.353 0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 110 62.227 16.209 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.464 15.102 -1.991 1.00 0.00 H new ATOM 231 N ALA A 111 65.903 13.019 0.363 1.00 0.00 N ATOM 232 CA ALA A 111 66.804 12.234 1.200 1.00 0.00 C ATOM 233 C ALA A 111 68.135 12.955 1.391 1.00 0.00 C ATOM 234 O ALA A 111 68.681 12.990 2.493 1.00 0.00 O ATOM 235 CB ALA A 111 67.051 10.867 0.559 1.00 0.00 C ATOM 0 H ALA A 111 65.596 12.549 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 111 66.336 12.102 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.725 10.286 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.104 10.337 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.501 11.002 -0.425 1.00 0.00 H new ATOM 241 N ASN A 112 68.652 13.529 0.309 1.00 0.00 N ATOM 242 CA ASN A 112 69.936 14.218 0.356 1.00 0.00 C ATOM 243 C ASN A 112 69.891 15.397 1.323 1.00 0.00 C ATOM 244 O ASN A 112 70.808 15.589 2.122 1.00 0.00 O ATOM 245 CB ASN A 112 70.308 14.720 -1.041 1.00 0.00 C ATOM 246 CG ASN A 112 71.759 15.193 -1.063 1.00 0.00 C ATOM 247 OD1 ASN A 112 72.312 15.559 -0.025 1.00 0.00 O ATOM 248 ND2 ASN A 112 72.412 15.208 -2.192 1.00 0.00 N ATOM 0 H ASN A 112 68.203 13.531 -0.607 1.00 0.00 H new ATOM 0 HA ASN A 112 70.687 13.510 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.167 13.923 -1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.647 15.537 -1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 112 73.382 15.523 -2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 112 71.953 14.905 -3.051 1.00 0.00 H new ATOM 255 N LYS A 113 68.821 16.183 1.249 1.00 0.00 N ATOM 256 CA LYS A 113 68.684 17.344 2.121 1.00 0.00 C ATOM 257 C LYS A 113 68.705 16.910 3.581 1.00 0.00 C ATOM 258 O LYS A 113 69.383 17.514 4.412 1.00 0.00 O ATOM 259 CB LYS A 113 67.376 18.080 1.821 1.00 0.00 C ATOM 260 CG LYS A 113 67.459 18.731 0.439 1.00 0.00 C ATOM 261 CD LYS A 113 66.188 19.542 0.178 1.00 0.00 C ATOM 262 CE LYS A 113 66.219 20.096 -1.248 1.00 0.00 C ATOM 263 NZ LYS A 113 67.336 21.074 -1.377 1.00 0.00 N ATOM 0 H LYS A 113 68.045 16.040 0.603 1.00 0.00 H new ATOM 0 HA LYS A 113 69.521 18.017 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.539 17.383 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 113 67.191 18.839 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 113 68.334 19.379 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.579 17.966 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 113 65.308 18.913 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 113 66.112 20.359 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 113 66.349 19.283 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 113 65.270 20.578 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 67.200 21.645 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 67.349 21.698 -0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 68.239 20.563 -1.440 1.00 0.00 H new ATOM 277 N ASP A 114 67.956 15.854 3.881 1.00 0.00 N ATOM 278 CA ASP A 114 67.924 15.296 5.229 1.00 0.00 C ATOM 279 C ASP A 114 68.263 13.810 5.195 1.00 0.00 C ATOM 280 O ASP A 114 67.483 12.993 4.703 1.00 0.00 O ATOM 281 CB ASP A 114 66.535 15.487 5.841 1.00 0.00 C ATOM 282 CG ASP A 114 66.574 15.166 7.332 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.937 16.044 8.097 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.240 14.048 7.686 1.00 0.00 O ATOM 0 H ASP A 114 67.363 15.367 3.209 1.00 0.00 H new ATOM 0 HA ASP A 114 68.663 15.817 5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 114 66.200 16.513 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.815 14.840 5.340 1.00 0.00 H new ATOM 289 N LEU A 115 69.440 13.459 5.703 1.00 0.00 N ATOM 290 CA LEU A 115 69.845 12.054 5.769 1.00 0.00 C ATOM 291 C LEU A 115 69.571 11.421 7.141 1.00 0.00 C ATOM 292 O LEU A 115 69.668 10.203 7.279 1.00 0.00 O ATOM 293 CB LEU A 115 71.334 11.913 5.438 1.00 0.00 C ATOM 294 CG LEU A 115 71.611 12.424 4.021 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.108 12.705 3.869 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.191 11.369 2.991 1.00 0.00 C ATOM 0 H LEU A 115 70.126 14.118 6.072 1.00 0.00 H new ATOM 0 HA LEU A 115 69.243 11.523 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.929 12.475 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.635 10.869 5.521 1.00 0.00 H new ATOM 0 HG LEU A 115 71.041 13.338 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.309 13.069 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.412 13.459 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.670 11.787 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.392 11.741 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.756 10.452 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 115 70.126 11.162 3.095 1.00 0.00 H new ATOM 308 N THR A 116 69.249 12.228 8.154 1.00 0.00 N ATOM 309 CA THR A 116 69.002 11.698 9.496 1.00 0.00 C ATOM 310 C THR A 116 67.535 11.307 9.723 1.00 0.00 C ATOM 311 O THR A 116 67.129 11.089 10.865 1.00 0.00 O ATOM 312 CB THR A 116 69.410 12.740 10.539 1.00 0.00 C ATOM 313 OG1 THR A 116 68.630 13.914 10.362 1.00 0.00 O ATOM 314 CG2 THR A 116 70.893 13.079 10.375 1.00 0.00 C ATOM 0 H THR A 116 69.154 13.240 8.073 1.00 0.00 H new ATOM 0 HA THR A 116 69.600 10.792 9.596 1.00 0.00 H new ATOM 0 HB THR A 116 69.242 12.339 11.538 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.889 14.582 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.181 13.822 11.119 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.490 12.177 10.512 1.00 0.00 H new ATOM 0 HG23 THR A 116 71.066 13.480 9.376 1.00 0.00 H new ATOM 322 N SER A 117 66.739 11.216 8.657 1.00 0.00 N ATOM 323 CA SER A 117 65.342 10.810 8.784 1.00 0.00 C ATOM 324 C SER A 117 65.150 9.394 8.229 1.00 0.00 C ATOM 325 O SER A 117 64.929 9.244 7.026 1.00 0.00 O ATOM 326 CB SER A 117 64.460 11.780 7.996 1.00 0.00 C ATOM 327 OG SER A 117 63.133 11.274 7.952 1.00 0.00 O ATOM 0 H SER A 117 67.037 11.417 7.702 1.00 0.00 H new ATOM 0 HA SER A 117 65.064 10.823 9.838 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.471 12.764 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.848 11.904 6.985 1.00 0.00 H new ATOM 0 HG SER A 117 62.563 11.893 7.449 1.00 0.00 H new ATOM 333 N PRO A 118 65.196 8.362 9.049 1.00 0.00 N ATOM 334 CA PRO A 118 65.123 6.957 8.538 1.00 0.00 C ATOM 335 C PRO A 118 63.976 6.737 7.557 1.00 0.00 C ATOM 336 O PRO A 118 64.121 5.988 6.593 1.00 0.00 O ATOM 337 CB PRO A 118 64.930 6.105 9.793 1.00 0.00 C ATOM 338 CG PRO A 118 65.525 6.903 10.900 1.00 0.00 C ATOM 339 CD PRO A 118 65.345 8.373 10.519 1.00 0.00 C ATOM 0 HA PRO A 118 66.021 6.700 7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.874 5.905 9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.425 5.139 9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 118 65.030 6.684 11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.580 6.662 11.029 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.468 8.803 11.003 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.204 8.970 10.826 1.00 0.00 H new ATOM 347 N ASP A 119 62.845 7.396 7.789 1.00 0.00 N ATOM 348 CA ASP A 119 61.691 7.237 6.908 1.00 0.00 C ATOM 349 C ASP A 119 62.057 7.596 5.470 1.00 0.00 C ATOM 350 O ASP A 119 61.881 6.791 4.553 1.00 0.00 O ATOM 351 CB ASP A 119 60.541 8.127 7.383 1.00 0.00 C ATOM 352 CG ASP A 119 60.006 7.624 8.721 1.00 0.00 C ATOM 353 OD1 ASP A 119 60.801 7.144 9.513 1.00 0.00 O ATOM 354 OD2 ASP A 119 58.809 7.726 8.933 1.00 0.00 O ATOM 0 H ASP A 119 62.702 8.038 8.569 1.00 0.00 H new ATOM 0 HA ASP A 119 61.378 6.194 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.885 9.156 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.742 8.129 6.641 1.00 0.00 H new ATOM 359 N ALA A 120 62.593 8.797 5.280 1.00 0.00 N ATOM 360 CA ALA A 120 62.963 9.246 3.943 1.00 0.00 C ATOM 361 C ALA A 120 63.968 8.288 3.316 1.00 0.00 C ATOM 362 O ALA A 120 63.854 7.947 2.137 1.00 0.00 O ATOM 363 CB ALA A 120 63.559 10.655 3.999 1.00 0.00 C ATOM 0 H ALA A 120 62.779 9.469 6.024 1.00 0.00 H new ATOM 0 HA ALA A 120 62.062 9.265 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.830 10.976 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.824 11.345 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.448 10.649 4.630 1.00 0.00 H new ATOM 369 N GLN A 121 64.932 7.826 4.110 1.00 0.00 N ATOM 370 CA GLN A 121 65.951 6.917 3.586 1.00 0.00 C ATOM 371 C GLN A 121 65.286 5.657 3.045 1.00 0.00 C ATOM 372 O GLN A 121 65.550 5.245 1.919 1.00 0.00 O ATOM 373 CB GLN A 121 66.990 6.513 4.648 1.00 0.00 C ATOM 374 CG GLN A 121 67.418 7.684 5.550 1.00 0.00 C ATOM 375 CD GLN A 121 67.765 8.941 4.750 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.675 8.925 3.922 1.00 0.00 O ATOM 377 NE2 GLN A 121 67.074 10.030 4.952 1.00 0.00 N ATOM 0 H GLN A 121 65.030 8.059 5.098 1.00 0.00 H new ATOM 0 HA GLN A 121 66.475 7.452 2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.577 5.717 5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.870 6.105 4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.614 7.913 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.282 7.385 6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.321 10.036 5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.287 10.875 4.422 1.00 0.00 H new ATOM 386 N ALA A 122 64.360 5.095 3.819 1.00 0.00 N ATOM 387 CA ALA A 122 63.713 3.838 3.449 1.00 0.00 C ATOM 388 C ALA A 122 63.096 3.945 2.061 1.00 0.00 C ATOM 389 O ALA A 122 63.304 3.083 1.208 1.00 0.00 O ATOM 390 CB ALA A 122 62.627 3.485 4.467 1.00 0.00 C ATOM 0 H ALA A 122 64.041 5.489 4.704 1.00 0.00 H new ATOM 0 HA ALA A 122 64.468 3.052 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.152 2.547 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.075 3.379 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.879 4.278 4.491 1.00 0.00 H new ATOM 396 N ALA A 123 62.380 5.039 1.829 1.00 0.00 N ATOM 397 CA ALA A 123 61.741 5.245 0.534 1.00 0.00 C ATOM 398 C ALA A 123 62.790 5.263 -0.575 1.00 0.00 C ATOM 399 O ALA A 123 62.618 4.631 -1.616 1.00 0.00 O ATOM 400 CB ALA A 123 60.965 6.564 0.533 1.00 0.00 C ATOM 0 H ALA A 123 62.228 5.786 2.507 1.00 0.00 H new ATOM 0 HA ALA A 123 61.048 4.423 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.492 6.707 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.200 6.536 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.650 7.389 0.728 1.00 0.00 H new ATOM 406 N PHE A 124 63.889 5.969 -0.336 1.00 0.00 N ATOM 407 CA PHE A 124 64.950 6.074 -1.333 1.00 0.00 C ATOM 408 C PHE A 124 65.497 4.695 -1.691 1.00 0.00 C ATOM 409 O PHE A 124 65.674 4.369 -2.864 1.00 0.00 O ATOM 410 CB PHE A 124 66.083 6.952 -0.801 1.00 0.00 C ATOM 411 CG PHE A 124 67.144 7.251 -1.833 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.774 7.672 -3.116 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.498 7.106 -1.508 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.757 7.948 -4.074 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.481 7.382 -2.465 1.00 0.00 C ATOM 416 CZ PHE A 124 69.111 7.803 -3.748 1.00 0.00 C ATOM 0 H PHE A 124 64.069 6.474 0.532 1.00 0.00 H new ATOM 0 HA PHE A 124 64.530 6.527 -2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.665 7.891 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.546 6.457 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.730 7.784 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.784 6.781 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.471 8.272 -5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.525 7.270 -2.214 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.870 8.016 -4.486 1.00 0.00 H new ATOM 426 N TYR A 125 65.740 3.875 -0.675 1.00 0.00 N ATOM 427 CA TYR A 125 66.295 2.542 -0.892 1.00 0.00 C ATOM 428 C TYR A 125 65.387 1.741 -1.823 1.00 0.00 C ATOM 429 O TYR A 125 65.844 1.122 -2.784 1.00 0.00 O ATOM 430 CB TYR A 125 66.428 1.797 0.441 1.00 0.00 C ATOM 431 CG TYR A 125 67.539 2.291 1.343 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.874 1.975 1.066 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.229 3.053 2.474 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.893 2.425 1.919 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.243 3.505 3.325 1.00 0.00 C ATOM 436 CZ TYR A 125 69.577 3.192 3.051 1.00 0.00 C ATOM 437 OH TYR A 125 70.576 3.638 3.897 1.00 0.00 O ATOM 0 H TYR A 125 65.563 4.107 0.302 1.00 0.00 H new ATOM 0 HA TYR A 125 67.280 2.650 -1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.483 1.874 0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.592 0.739 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.120 1.385 0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.199 3.294 2.692 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.923 2.181 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 125 67.995 4.096 4.194 1.00 0.00 H new ATOM 0 HH TYR A 125 70.179 4.155 4.629 1.00 0.00 H new ATOM 447 N LYS A 126 64.090 1.786 -1.545 1.00 0.00 N ATOM 448 CA LYS A 126 63.120 1.040 -2.337 1.00 0.00 C ATOM 449 C LYS A 126 63.183 1.460 -3.799 1.00 0.00 C ATOM 450 O LYS A 126 63.221 0.621 -4.698 1.00 0.00 O ATOM 451 CB LYS A 126 61.712 1.293 -1.791 1.00 0.00 C ATOM 452 CG LYS A 126 61.593 0.738 -0.365 1.00 0.00 C ATOM 453 CD LYS A 126 60.153 0.305 -0.086 1.00 0.00 C ATOM 454 CE LYS A 126 60.050 -0.243 1.338 1.00 0.00 C ATOM 455 NZ LYS A 126 58.615 -0.357 1.724 1.00 0.00 N ATOM 0 H LYS A 126 63.687 2.328 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 126 63.357 -0.022 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.499 2.362 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 126 60.972 0.820 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.266 -0.110 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.898 1.497 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.477 1.151 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.846 -0.457 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 126 60.533 -1.218 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.573 0.416 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 58.545 -0.730 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 58.168 0.581 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 58.129 -1.002 1.069 1.00 0.00 H new ATOM 469 N LEU A 127 63.214 2.766 -4.028 1.00 0.00 N ATOM 470 CA LEU A 127 63.235 3.289 -5.388 1.00 0.00 C ATOM 471 C LEU A 127 64.442 2.755 -6.148 1.00 0.00 C ATOM 472 O LEU A 127 64.324 2.328 -7.296 1.00 0.00 O ATOM 473 CB LEU A 127 63.283 4.817 -5.358 1.00 0.00 C ATOM 474 CG LEU A 127 62.031 5.351 -4.663 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.257 6.809 -4.261 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.841 5.266 -5.621 1.00 0.00 C ATOM 0 H LEU A 127 63.225 3.477 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 127 62.327 2.964 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.176 5.153 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.344 5.210 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 127 61.825 4.755 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.365 7.192 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.106 6.871 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.461 7.404 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 127 59.948 5.647 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.046 5.863 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.681 4.228 -5.911 1.00 0.00 H new ATOM 488 N LEU A 128 65.597 2.754 -5.493 1.00 0.00 N ATOM 489 CA LEU A 128 66.827 2.328 -6.150 1.00 0.00 C ATOM 490 C LEU A 128 66.728 0.876 -6.604 1.00 0.00 C ATOM 491 O LEU A 128 67.183 0.536 -7.695 1.00 0.00 O ATOM 492 CB LEU A 128 68.021 2.497 -5.208 1.00 0.00 C ATOM 493 CG LEU A 128 68.514 3.946 -5.252 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.455 4.203 -4.073 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.265 4.187 -6.565 1.00 0.00 C ATOM 0 H LEU A 128 65.708 3.039 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 128 66.974 2.957 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.734 2.231 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.825 1.821 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 128 67.661 4.622 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.805 5.235 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.922 4.030 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.309 3.528 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.617 5.218 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.117 3.510 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.596 4.004 -7.406 1.00 0.00 H new ATOM 507 N LEU A 129 66.147 0.020 -5.767 1.00 0.00 N ATOM 508 CA LEU A 129 66.007 -1.389 -6.129 1.00 0.00 C ATOM 509 C LEU A 129 65.096 -1.543 -7.342 1.00 0.00 C ATOM 510 O LEU A 129 65.439 -2.230 -8.304 1.00 0.00 O ATOM 511 CB LEU A 129 65.438 -2.190 -4.953 1.00 0.00 C ATOM 512 CG LEU A 129 66.572 -2.640 -4.029 1.00 0.00 C ATOM 513 CD1 LEU A 129 65.990 -3.098 -2.692 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.328 -3.801 -4.678 1.00 0.00 C ATOM 0 H LEU A 129 65.772 0.269 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 129 66.996 -1.775 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.726 -1.580 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 129 64.893 -3.058 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 129 67.255 -1.807 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.798 -3.418 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.450 -2.272 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.306 -3.930 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.136 -4.122 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.644 -4.633 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.744 -3.476 -5.632 1.00 0.00 H new ATOM 526 N GLN A 130 63.963 -0.851 -7.325 1.00 0.00 N ATOM 527 CA GLN A 130 62.996 -0.963 -8.411 1.00 0.00 C ATOM 528 C GLN A 130 63.626 -0.576 -9.745 1.00 0.00 C ATOM 529 O GLN A 130 63.384 -1.220 -10.766 1.00 0.00 O ATOM 530 CB GLN A 130 61.794 -0.057 -8.133 1.00 0.00 C ATOM 531 CG GLN A 130 60.711 -0.308 -9.184 1.00 0.00 C ATOM 532 CD GLN A 130 59.582 0.705 -9.021 1.00 0.00 C ATOM 533 OE1 GLN A 130 59.817 1.912 -9.079 1.00 0.00 O ATOM 534 NE2 GLN A 130 58.364 0.284 -8.819 1.00 0.00 N ATOM 0 H GLN A 130 63.692 -0.211 -6.578 1.00 0.00 H new ATOM 0 HA GLN A 130 62.669 -2.001 -8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 130 61.400 -0.253 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 130 62.101 0.989 -8.154 1.00 0.00 H new ATOM 0 HG2 GLN A 130 61.138 -0.231 -10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 130 60.320 -1.320 -9.081 1.00 0.00 H new ATOM 0 HE21 GLN A 130 58.172 -0.717 -8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 130 57.604 0.955 -8.709 1.00 0.00 H new ATOM 543 N SER A 131 64.436 0.477 -9.731 1.00 0.00 N ATOM 544 CA SER A 131 65.038 0.985 -10.963 1.00 0.00 C ATOM 545 C SER A 131 66.326 0.251 -11.355 1.00 0.00 C ATOM 546 O SER A 131 67.079 0.745 -12.195 1.00 0.00 O ATOM 547 CB SER A 131 65.335 2.476 -10.805 1.00 0.00 C ATOM 548 OG SER A 131 64.109 3.186 -10.682 1.00 0.00 O ATOM 0 H SER A 131 64.691 0.993 -8.889 1.00 0.00 H new ATOM 0 HA SER A 131 64.317 0.812 -11.762 1.00 0.00 H new ATOM 0 HB2 SER A 131 65.956 2.644 -9.925 1.00 0.00 H new ATOM 0 HB3 SER A 131 65.896 2.841 -11.666 1.00 0.00 H new ATOM 0 HG SER A 131 63.939 3.384 -9.737 1.00 0.00 H new ATOM 554 N ASN A 132 66.589 -0.916 -10.765 1.00 0.00 N ATOM 555 CA ASN A 132 67.762 -1.703 -11.132 1.00 0.00 C ATOM 556 C ASN A 132 69.050 -0.937 -10.825 1.00 0.00 C ATOM 557 O ASN A 132 69.940 -0.811 -11.668 1.00 0.00 O ATOM 558 CB ASN A 132 67.697 -2.071 -12.619 1.00 0.00 C ATOM 559 CG ASN A 132 68.658 -3.217 -12.916 1.00 0.00 C ATOM 560 OD1 ASN A 132 68.492 -4.319 -12.392 1.00 0.00 O ATOM 561 ND2 ASN A 132 69.659 -3.023 -13.730 1.00 0.00 N ATOM 0 H ASN A 132 66.009 -1.333 -10.037 1.00 0.00 H new ATOM 0 HA ASN A 132 67.767 -2.618 -10.540 1.00 0.00 H new ATOM 0 HB2 ASN A 132 66.680 -2.360 -12.886 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.953 -1.204 -13.228 1.00 0.00 H new ATOM 0 HD21 ASN A 132 70.306 -3.785 -13.933 1.00 0.00 H new ATOM 0 HD22 ASN A 132 69.795 -2.109 -14.163 1.00 0.00 H new ATOM 568 N TYR A 133 69.147 -0.427 -9.600 1.00 0.00 N ATOM 569 CA TYR A 133 70.347 0.286 -9.162 1.00 0.00 C ATOM 570 C TYR A 133 70.926 -0.329 -7.875 1.00 0.00 C ATOM 571 O TYR A 133 71.296 0.397 -6.944 1.00 0.00 O ATOM 572 CB TYR A 133 69.991 1.759 -8.920 1.00 0.00 C ATOM 573 CG TYR A 133 69.850 2.580 -10.179 1.00 0.00 C ATOM 574 CD1 TYR A 133 68.606 2.683 -10.814 1.00 0.00 C ATOM 575 CD2 TYR A 133 70.960 3.251 -10.703 1.00 0.00 C ATOM 576 CE1 TYR A 133 68.474 3.455 -11.974 1.00 0.00 C ATOM 577 CE2 TYR A 133 70.830 4.021 -11.864 1.00 0.00 C ATOM 578 CZ TYR A 133 69.586 4.124 -12.500 1.00 0.00 C ATOM 579 OH TYR A 133 69.456 4.885 -13.644 1.00 0.00 O ATOM 0 H TYR A 133 68.413 -0.493 -8.895 1.00 0.00 H new ATOM 0 HA TYR A 133 71.105 0.204 -9.941 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.056 1.808 -8.362 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.760 2.208 -8.292 1.00 0.00 H new ATOM 0 HD1 TYR A 133 67.748 2.167 -10.409 1.00 0.00 H new ATOM 0 HD2 TYR A 133 71.918 3.175 -10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 133 67.515 3.535 -12.463 1.00 0.00 H new ATOM 0 HE2 TYR A 133 71.688 4.536 -12.270 1.00 0.00 H new ATOM 0 HH TYR A 133 70.322 5.282 -13.873 1.00 0.00 H new ATOM 589 N PRO A 134 71.110 -1.634 -7.817 1.00 0.00 N ATOM 590 CA PRO A 134 71.563 -2.296 -6.553 1.00 0.00 C ATOM 591 C PRO A 134 72.885 -1.718 -6.054 1.00 0.00 C ATOM 592 O PRO A 134 73.074 -1.520 -4.854 1.00 0.00 O ATOM 593 CB PRO A 134 71.700 -3.780 -6.911 1.00 0.00 C ATOM 594 CG PRO A 134 71.772 -3.830 -8.399 1.00 0.00 C ATOM 595 CD PRO A 134 70.996 -2.618 -8.910 1.00 0.00 C ATOM 0 HA PRO A 134 70.856 -2.136 -5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.595 -4.211 -6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.850 -4.352 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.807 -3.800 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.339 -4.756 -8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.420 -2.235 -9.838 1.00 0.00 H new ATOM 0 HD3 PRO A 134 69.955 -2.868 -9.115 1.00 0.00 H new ATOM 603 N GLN A 135 73.791 -1.425 -6.981 1.00 0.00 N ATOM 604 CA GLN A 135 75.094 -0.876 -6.614 1.00 0.00 C ATOM 605 C GLN A 135 74.937 0.400 -5.788 1.00 0.00 C ATOM 606 O GLN A 135 75.674 0.622 -4.827 1.00 0.00 O ATOM 607 CB GLN A 135 75.906 -0.573 -7.874 1.00 0.00 C ATOM 608 CG GLN A 135 76.205 -1.877 -8.617 1.00 0.00 C ATOM 609 CD GLN A 135 76.938 -1.588 -9.924 1.00 0.00 C ATOM 610 OE1 GLN A 135 76.859 -0.480 -10.455 1.00 0.00 O ATOM 611 NE2 GLN A 135 77.655 -2.528 -10.478 1.00 0.00 N ATOM 0 H GLN A 135 73.651 -1.556 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 135 75.617 -1.618 -6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.352 0.107 -8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 135 76.837 -0.073 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 135 76.811 -2.530 -7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 135 75.275 -2.407 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 135 77.720 -3.446 -10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 135 78.150 -2.344 -11.351 1.00 0.00 H new ATOM 620 N TYR A 136 73.950 1.220 -6.138 1.00 0.00 N ATOM 621 CA TYR A 136 73.724 2.474 -5.427 1.00 0.00 C ATOM 622 C TYR A 136 73.231 2.192 -4.012 1.00 0.00 C ATOM 623 O TYR A 136 73.684 2.808 -3.048 1.00 0.00 O ATOM 624 CB TYR A 136 72.687 3.318 -6.170 1.00 0.00 C ATOM 625 CG TYR A 136 73.247 4.046 -7.369 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.094 3.379 -8.262 1.00 0.00 C ATOM 627 CD2 TYR A 136 72.918 5.389 -7.587 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.612 4.055 -9.373 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.436 6.065 -8.698 1.00 0.00 C ATOM 630 CZ TYR A 136 74.283 5.398 -9.591 1.00 0.00 C ATOM 631 OH TYR A 136 74.794 6.065 -10.686 1.00 0.00 O ATOM 0 H TYR A 136 73.299 1.041 -6.903 1.00 0.00 H new ATOM 0 HA TYR A 136 74.665 3.022 -5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 136 71.871 2.673 -6.496 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.261 4.046 -5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.348 2.343 -8.094 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.265 5.904 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.265 3.540 -10.062 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.182 7.101 -8.866 1.00 0.00 H new ATOM 0 HH TYR A 136 74.466 6.988 -10.689 1.00 0.00 H new ATOM 641 N VAL A 137 72.323 1.227 -3.890 1.00 0.00 N ATOM 642 CA VAL A 137 71.775 0.851 -2.588 1.00 0.00 C ATOM 643 C VAL A 137 72.904 0.485 -1.627 1.00 0.00 C ATOM 644 O VAL A 137 72.900 0.891 -0.467 1.00 0.00 O ATOM 645 CB VAL A 137 70.819 -0.340 -2.755 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.204 -0.741 -1.409 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.690 0.049 -3.711 1.00 0.00 C ATOM 0 H VAL A 137 71.951 0.692 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 137 71.226 1.697 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 137 71.386 -1.182 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.531 -1.586 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 137 70.997 -1.023 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.646 0.101 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.009 -0.794 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.145 0.900 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.110 0.318 -4.680 1.00 0.00 H new ATOM 657 N VAL A 138 73.878 -0.263 -2.128 1.00 0.00 N ATOM 658 CA VAL A 138 74.981 -0.718 -1.289 1.00 0.00 C ATOM 659 C VAL A 138 75.825 0.465 -0.824 1.00 0.00 C ATOM 660 O VAL A 138 76.048 0.646 0.372 1.00 0.00 O ATOM 661 CB VAL A 138 75.854 -1.720 -2.058 1.00 0.00 C ATOM 662 CG1 VAL A 138 76.962 -2.263 -1.151 1.00 0.00 C ATOM 663 CG2 VAL A 138 74.993 -2.891 -2.541 1.00 0.00 C ATOM 0 H VAL A 138 73.928 -0.566 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 138 74.565 -1.213 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 138 76.300 -1.208 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.574 -2.972 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.586 -1.439 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.516 -2.765 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.616 -3.600 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.542 -3.389 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.207 -2.518 -3.198 1.00 0.00 H new ATOM 673 N SER A 139 76.262 1.292 -1.767 1.00 0.00 N ATOM 674 CA SER A 139 77.137 2.415 -1.439 1.00 0.00 C ATOM 675 C SER A 139 76.516 3.303 -0.362 1.00 0.00 C ATOM 676 O SER A 139 77.213 3.810 0.517 1.00 0.00 O ATOM 677 CB SER A 139 77.405 3.248 -2.693 1.00 0.00 C ATOM 678 OG SER A 139 76.202 3.889 -3.094 1.00 0.00 O ATOM 0 H SER A 139 76.028 1.209 -2.756 1.00 0.00 H new ATOM 0 HA SER A 139 78.074 2.012 -1.056 1.00 0.00 H new ATOM 0 HB2 SER A 139 78.177 3.991 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 139 77.776 2.610 -3.495 1.00 0.00 H new ATOM 0 HG SER A 139 75.453 3.263 -3.005 1.00 0.00 H new ATOM 684 N ARG A 140 75.203 3.485 -0.439 1.00 0.00 N ATOM 685 CA ARG A 140 74.492 4.328 0.516 1.00 0.00 C ATOM 686 C ARG A 140 74.392 3.663 1.884 1.00 0.00 C ATOM 687 O ARG A 140 74.813 4.237 2.886 1.00 0.00 O ATOM 688 CB ARG A 140 73.088 4.629 -0.013 1.00 0.00 C ATOM 689 CG ARG A 140 72.413 5.677 0.874 1.00 0.00 C ATOM 690 CD ARG A 140 70.991 5.924 0.369 1.00 0.00 C ATOM 691 NE ARG A 140 70.359 7.006 1.129 1.00 0.00 N ATOM 692 CZ ARG A 140 70.447 8.301 0.787 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.134 8.705 -0.254 1.00 0.00 N ATOM 694 NH2 ARG A 140 69.831 9.188 1.519 1.00 0.00 N ATOM 0 H ARG A 140 74.609 3.061 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 140 75.054 5.255 0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.146 4.991 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.493 3.716 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.390 5.334 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 140 72.984 6.606 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.014 6.180 -0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.401 5.012 0.464 1.00 0.00 H new ATOM 0 HE ARG A 140 69.824 6.762 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.625 8.026 -0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.177 9.698 -0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.295 8.892 2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 140 69.886 10.177 1.276 1.00 0.00 H new ATOM 708 N PHE A 141 73.876 2.440 1.922 1.00 0.00 N ATOM 709 CA PHE A 141 73.659 1.754 3.194 1.00 0.00 C ATOM 710 C PHE A 141 74.950 1.644 4.007 1.00 0.00 C ATOM 711 O PHE A 141 74.916 1.656 5.237 1.00 0.00 O ATOM 712 CB PHE A 141 73.091 0.358 2.936 1.00 0.00 C ATOM 713 CG PHE A 141 72.740 -0.390 4.201 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.516 -0.151 4.837 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.638 -1.321 4.738 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.189 -0.843 6.009 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.311 -2.013 5.910 1.00 0.00 C ATOM 718 CZ PHE A 141 72.086 -1.774 6.546 1.00 0.00 C ATOM 0 H PHE A 141 73.602 1.906 1.097 1.00 0.00 H new ATOM 0 HA PHE A 141 72.949 2.343 3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.199 0.446 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.818 -0.223 2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.824 0.567 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.583 -1.505 4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.244 -0.659 6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.003 -2.731 6.324 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.834 -2.308 7.450 1.00 0.00 H new ATOM 728 N GLU A 142 76.085 1.538 3.321 1.00 0.00 N ATOM 729 CA GLU A 142 77.370 1.366 3.996 1.00 0.00 C ATOM 730 C GLU A 142 77.911 2.662 4.609 1.00 0.00 C ATOM 731 O GLU A 142 78.841 2.607 5.412 1.00 0.00 O ATOM 732 CB GLU A 142 78.397 0.813 3.007 1.00 0.00 C ATOM 733 CG GLU A 142 77.990 -0.602 2.582 1.00 0.00 C ATOM 734 CD GLU A 142 79.032 -1.223 1.649 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.794 -0.487 1.041 1.00 0.00 O ATOM 736 OE2 GLU A 142 79.043 -2.439 1.545 1.00 0.00 O ATOM 0 H GLU A 142 76.142 1.568 2.303 1.00 0.00 H new ATOM 0 HA GLU A 142 77.201 0.669 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.462 1.462 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.386 0.796 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.870 -1.229 3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 142 77.023 -0.569 2.080 1.00 0.00 H new ATOM 743 N THR A 143 77.353 3.819 4.244 1.00 0.00 N ATOM 744 CA THR A 143 77.823 5.088 4.792 1.00 0.00 C ATOM 745 C THR A 143 77.187 5.340 6.166 1.00 0.00 C ATOM 746 O THR A 143 76.002 5.672 6.217 1.00 0.00 O ATOM 747 CB THR A 143 77.427 6.225 3.847 1.00 0.00 C ATOM 748 OG1 THR A 143 77.831 5.901 2.524 1.00 0.00 O ATOM 749 CG2 THR A 143 78.109 7.521 4.288 1.00 0.00 C ATOM 0 H THR A 143 76.584 3.901 3.579 1.00 0.00 H new ATOM 0 HA THR A 143 78.907 5.047 4.898 1.00 0.00 H new ATOM 0 HB THR A 143 76.346 6.360 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.250 5.197 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.826 8.329 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.797 7.769 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.191 7.390 4.262 1.00 0.00 H new ATOM 757 N PRO A 144 77.909 5.241 7.268 1.00 0.00 N ATOM 758 CA PRO A 144 77.279 5.363 8.625 1.00 0.00 C ATOM 759 C PRO A 144 76.537 6.687 8.837 1.00 0.00 C ATOM 760 O PRO A 144 75.733 6.807 9.762 1.00 0.00 O ATOM 761 CB PRO A 144 78.447 5.236 9.611 1.00 0.00 C ATOM 762 CG PRO A 144 79.555 4.606 8.840 1.00 0.00 C ATOM 763 CD PRO A 144 79.368 5.056 7.395 1.00 0.00 C ATOM 0 HA PRO A 144 76.516 4.597 8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.743 6.212 9.996 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.170 4.625 10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.526 4.920 9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.517 3.520 8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.907 5.981 7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.739 4.310 6.693 1.00 0.00 H new ATOM 771 N GLY A 145 76.803 7.675 7.988 1.00 0.00 N ATOM 772 CA GLY A 145 76.191 8.993 8.143 1.00 0.00 C ATOM 773 C GLY A 145 74.691 8.995 7.836 1.00 0.00 C ATOM 774 O GLY A 145 73.966 9.874 8.301 1.00 0.00 O ATOM 0 H GLY A 145 77.433 7.591 7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.348 9.343 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.693 9.700 7.483 1.00 0.00 H new ATOM 778 N ILE A 146 74.219 8.020 7.060 1.00 0.00 N ATOM 779 CA ILE A 146 72.819 7.989 6.650 1.00 0.00 C ATOM 780 C ILE A 146 72.031 7.010 7.519 1.00 0.00 C ATOM 781 O ILE A 146 72.524 5.940 7.878 1.00 0.00 O ATOM 782 CB ILE A 146 72.716 7.599 5.169 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.513 8.599 4.324 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.251 7.626 4.719 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.634 8.089 2.887 1.00 0.00 C ATOM 0 H ILE A 146 74.782 7.247 6.706 1.00 0.00 H new ATOM 0 HA ILE A 146 72.391 8.983 6.781 1.00 0.00 H new ATOM 0 HB ILE A 146 73.117 6.594 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.019 9.571 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.505 8.741 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.188 7.348 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.674 6.920 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.847 8.630 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.202 8.805 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.148 7.128 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.639 7.970 2.458 1.00 0.00 H new ATOM 797 N ALA A 147 70.803 7.395 7.848 1.00 0.00 N ATOM 798 CA ALA A 147 69.955 6.599 8.727 1.00 0.00 C ATOM 799 C ALA A 147 69.625 5.240 8.115 1.00 0.00 C ATOM 800 O ALA A 147 69.690 5.046 6.897 1.00 0.00 O ATOM 801 CB ALA A 147 68.658 7.358 9.021 1.00 0.00 C ATOM 0 H ALA A 147 70.371 8.258 7.517 1.00 0.00 H new ATOM 0 HA ALA A 147 70.504 6.426 9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.027 6.759 9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.893 8.305 9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.129 7.551 8.087 1.00 0.00 H new ATOM 807 N SER A 148 69.304 4.291 8.988 1.00 0.00 N ATOM 808 CA SER A 148 68.876 2.971 8.547 1.00 0.00 C ATOM 809 C SER A 148 67.797 2.423 9.477 1.00 0.00 C ATOM 810 O SER A 148 67.885 2.549 10.698 1.00 0.00 O ATOM 811 CB SER A 148 70.068 2.014 8.526 1.00 0.00 C ATOM 812 OG SER A 148 70.437 1.698 9.861 1.00 0.00 O ATOM 0 H SER A 148 69.332 4.412 10.000 1.00 0.00 H new ATOM 0 HA SER A 148 68.465 3.059 7.541 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.810 1.105 7.982 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.908 2.471 8.002 1.00 0.00 H new ATOM 0 HG SER A 148 71.200 1.083 9.853 1.00 0.00 H new ATOM 818 N SER A 149 66.780 1.815 8.879 1.00 0.00 N ATOM 819 CA SER A 149 65.699 1.183 9.629 1.00 0.00 C ATOM 820 C SER A 149 65.567 -0.278 9.197 1.00 0.00 C ATOM 821 O SER A 149 66.129 -0.656 8.169 1.00 0.00 O ATOM 822 CB SER A 149 64.381 1.921 9.376 1.00 0.00 C ATOM 823 OG SER A 149 64.345 2.391 8.034 1.00 0.00 O ATOM 0 H SER A 149 66.680 1.746 7.866 1.00 0.00 H new ATOM 0 HA SER A 149 65.927 1.228 10.694 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.539 1.255 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.283 2.758 10.067 1.00 0.00 H new ATOM 0 HG SER A 149 63.500 2.861 7.875 1.00 0.00 H new ATOM 829 N PRO A 150 64.867 -1.112 9.939 1.00 0.00 N ATOM 830 CA PRO A 150 64.700 -2.550 9.553 1.00 0.00 C ATOM 831 C PRO A 150 64.343 -2.722 8.076 1.00 0.00 C ATOM 832 O PRO A 150 64.924 -3.555 7.378 1.00 0.00 O ATOM 833 CB PRO A 150 63.563 -3.039 10.451 1.00 0.00 C ATOM 834 CG PRO A 150 63.645 -2.189 11.672 1.00 0.00 C ATOM 835 CD PRO A 150 64.187 -0.832 11.222 1.00 0.00 C ATOM 0 HA PRO A 150 65.624 -3.113 9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.597 -2.931 9.959 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.679 -4.095 10.696 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.664 -2.081 12.135 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.301 -2.641 12.416 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.384 -0.106 11.095 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.879 -0.418 11.956 1.00 0.00 H new ATOM 843 N GLU A 151 63.409 -1.907 7.595 1.00 0.00 N ATOM 844 CA GLU A 151 63.025 -1.955 6.189 1.00 0.00 C ATOM 845 C GLU A 151 64.239 -1.696 5.300 1.00 0.00 C ATOM 846 O GLU A 151 64.459 -2.395 4.311 1.00 0.00 O ATOM 847 CB GLU A 151 61.947 -0.907 5.905 1.00 0.00 C ATOM 848 CG GLU A 151 60.700 -1.219 6.734 1.00 0.00 C ATOM 849 CD GLU A 151 59.577 -0.253 6.370 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.639 0.886 6.802 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.671 -0.668 5.666 1.00 0.00 O ATOM 0 H GLU A 151 62.909 -1.213 8.151 1.00 0.00 H new ATOM 0 HA GLU A 151 62.630 -2.947 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.319 0.088 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.699 -0.903 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.381 -2.245 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.930 -1.139 7.796 1.00 0.00 H new ATOM 858 N CYS A 152 65.041 -0.703 5.672 1.00 0.00 N ATOM 859 CA CYS A 152 66.227 -0.365 4.893 1.00 0.00 C ATOM 860 C CYS A 152 67.174 -1.557 4.811 1.00 0.00 C ATOM 861 O CYS A 152 67.739 -1.842 3.759 1.00 0.00 O ATOM 862 CB CYS A 152 66.956 0.820 5.526 1.00 0.00 C ATOM 863 SG CYS A 152 65.842 2.245 5.598 1.00 0.00 S ATOM 0 H CYS A 152 64.894 -0.124 6.499 1.00 0.00 H new ATOM 0 HA CYS A 152 65.906 -0.097 3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.295 0.559 6.528 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.844 1.068 4.944 1.00 0.00 H new ATOM 0 HG CYS A 152 65.248 2.274 6.754 1.00 0.00 H new ATOM 869 N MET A 153 67.332 -2.262 5.926 1.00 0.00 N ATOM 870 CA MET A 153 68.243 -3.399 5.977 1.00 0.00 C ATOM 871 C MET A 153 67.854 -4.437 4.932 1.00 0.00 C ATOM 872 O MET A 153 68.703 -4.946 4.200 1.00 0.00 O ATOM 873 CB MET A 153 68.208 -4.036 7.370 1.00 0.00 C ATOM 874 CG MET A 153 68.709 -3.036 8.418 1.00 0.00 C ATOM 875 SD MET A 153 69.487 -3.936 9.783 1.00 0.00 S ATOM 876 CE MET A 153 70.950 -4.520 8.888 1.00 0.00 C ATOM 0 H MET A 153 66.845 -2.068 6.801 1.00 0.00 H new ATOM 0 HA MET A 153 69.252 -3.045 5.767 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.192 -4.348 7.610 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.829 -4.932 7.385 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.424 -2.347 7.967 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.879 -2.435 8.790 1.00 0.00 H new ATOM 0 HE1 MET A 153 70.962 -5.610 8.882 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.920 -4.152 7.862 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.849 -4.150 9.380 1.00 0.00 H new ATOM 886 N GLU A 154 66.562 -4.731 4.852 1.00 0.00 N ATOM 887 CA GLU A 154 66.076 -5.709 3.884 1.00 0.00 C ATOM 888 C GLU A 154 66.436 -5.274 2.467 1.00 0.00 C ATOM 889 O GLU A 154 66.942 -6.062 1.669 1.00 0.00 O ATOM 890 CB GLU A 154 64.558 -5.860 4.006 1.00 0.00 C ATOM 891 CG GLU A 154 64.214 -6.482 5.360 1.00 0.00 C ATOM 892 CD GLU A 154 62.715 -6.746 5.448 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.975 -5.793 5.633 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.327 -7.896 5.327 1.00 0.00 O ATOM 0 H GLU A 154 65.839 -4.313 5.437 1.00 0.00 H new ATOM 0 HA GLU A 154 66.550 -6.668 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.076 -4.887 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.178 -6.487 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.764 -7.414 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.522 -5.814 6.165 1.00 0.00 H new ATOM 901 N LEU A 155 66.198 -4.003 2.170 1.00 0.00 N ATOM 902 CA LEU A 155 66.494 -3.469 0.845 1.00 0.00 C ATOM 903 C LEU A 155 67.973 -3.652 0.509 1.00 0.00 C ATOM 904 O LEU A 155 68.330 -4.039 -0.603 1.00 0.00 O ATOM 905 CB LEU A 155 66.115 -1.985 0.794 1.00 0.00 C ATOM 906 CG LEU A 155 64.605 -1.834 1.017 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.278 -0.383 1.377 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.842 -2.214 -0.255 1.00 0.00 C ATOM 0 H LEU A 155 65.804 -3.326 2.823 1.00 0.00 H new ATOM 0 HA LEU A 155 65.909 -4.014 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.663 -1.432 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.395 -1.560 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 155 64.306 -2.495 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.204 -0.280 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.807 -0.106 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.590 0.273 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.771 -2.103 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.149 -1.561 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 155 64.062 -3.249 -0.516 1.00 0.00 H new ATOM 920 N TYR A 156 68.829 -3.405 1.492 1.00 0.00 N ATOM 921 CA TYR A 156 70.269 -3.545 1.305 1.00 0.00 C ATOM 922 C TYR A 156 70.618 -4.975 0.904 1.00 0.00 C ATOM 923 O TYR A 156 71.371 -5.204 -0.042 1.00 0.00 O ATOM 924 CB TYR A 156 70.976 -3.172 2.611 1.00 0.00 C ATOM 925 CG TYR A 156 72.473 -3.380 2.600 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.276 -2.683 1.690 1.00 0.00 C ATOM 927 CD2 TYR A 156 73.058 -4.264 3.515 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.664 -2.872 1.694 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.444 -4.454 3.518 1.00 0.00 C ATOM 930 CZ TYR A 156 75.248 -3.757 2.608 1.00 0.00 C ATOM 931 OH TYR A 156 76.615 -3.943 2.612 1.00 0.00 O ATOM 0 H TYR A 156 68.552 -3.107 2.427 1.00 0.00 H new ATOM 0 HA TYR A 156 70.599 -2.880 0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.770 -2.125 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.547 -3.761 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.826 -2.000 0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.439 -4.800 4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.284 -2.335 0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.894 -5.138 4.222 1.00 0.00 H new ATOM 0 HH TYR A 156 77.048 -3.200 2.142 1.00 0.00 H new ATOM 941 N MET A 157 70.045 -5.936 1.616 1.00 0.00 N ATOM 942 CA MET A 157 70.320 -7.343 1.349 1.00 0.00 C ATOM 943 C MET A 157 69.977 -7.688 -0.098 1.00 0.00 C ATOM 944 O MET A 157 70.754 -8.338 -0.798 1.00 0.00 O ATOM 945 CB MET A 157 69.498 -8.211 2.305 1.00 0.00 C ATOM 946 CG MET A 157 69.846 -9.688 2.105 1.00 0.00 C ATOM 947 SD MET A 157 68.886 -10.693 3.265 1.00 0.00 S ATOM 948 CE MET A 157 67.249 -10.346 2.575 1.00 0.00 C ATOM 0 H MET A 157 69.390 -5.769 2.380 1.00 0.00 H new ATOM 0 HA MET A 157 71.381 -7.535 1.506 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.697 -7.919 3.336 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.434 -8.053 2.129 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.629 -9.989 1.080 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.912 -9.847 2.265 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.651 -11.257 2.582 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.755 -9.583 3.176 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.354 -9.989 1.551 1.00 0.00 H new ATOM 958 N GLU A 158 68.820 -7.221 -0.550 1.00 0.00 N ATOM 959 CA GLU A 158 68.364 -7.526 -1.901 1.00 0.00 C ATOM 960 C GLU A 158 69.373 -7.029 -2.930 1.00 0.00 C ATOM 961 O GLU A 158 69.743 -7.754 -3.854 1.00 0.00 O ATOM 962 CB GLU A 158 67.006 -6.871 -2.158 1.00 0.00 C ATOM 963 CG GLU A 158 65.962 -7.468 -1.212 1.00 0.00 C ATOM 964 CD GLU A 158 64.581 -6.915 -1.544 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.322 -5.775 -1.196 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.802 -7.640 -2.141 1.00 0.00 O ATOM 0 H GLU A 158 68.185 -6.635 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 158 68.267 -8.608 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.076 -5.794 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.705 -7.028 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.959 -8.554 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.218 -7.233 -0.179 1.00 0.00 H new ATOM 973 N ALA A 159 69.835 -5.796 -2.752 1.00 0.00 N ATOM 974 CA ALA A 159 70.782 -5.212 -3.696 1.00 0.00 C ATOM 975 C ALA A 159 72.046 -6.061 -3.775 1.00 0.00 C ATOM 976 O ALA A 159 72.550 -6.347 -4.861 1.00 0.00 O ATOM 977 CB ALA A 159 71.147 -3.789 -3.272 1.00 0.00 C ATOM 0 H ALA A 159 69.574 -5.189 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 159 70.311 -5.182 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.854 -3.367 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.247 -3.175 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.601 -3.810 -2.281 1.00 0.00 H new ATOM 983 N LEU A 160 72.536 -6.497 -2.619 1.00 0.00 N ATOM 984 CA LEU A 160 73.758 -7.293 -2.569 1.00 0.00 C ATOM 985 C LEU A 160 73.624 -8.537 -3.438 1.00 0.00 C ATOM 986 O LEU A 160 74.541 -8.897 -4.174 1.00 0.00 O ATOM 987 CB LEU A 160 74.054 -7.717 -1.129 1.00 0.00 C ATOM 988 CG LEU A 160 74.436 -6.496 -0.290 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.496 -6.893 1.187 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.806 -5.979 -0.736 1.00 0.00 C ATOM 0 H LEU A 160 72.110 -6.315 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 160 74.577 -6.680 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.180 -8.205 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.865 -8.446 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 160 73.691 -5.712 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.768 -6.024 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.521 -7.262 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.242 -7.676 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 160 76.079 -5.109 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.552 -6.762 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.764 -5.698 -1.788 1.00 0.00 H new ATOM 1002 N GLN A 161 72.472 -9.188 -3.342 1.00 0.00 N ATOM 1003 CA GLN A 161 72.223 -10.388 -4.132 1.00 0.00 C ATOM 1004 C GLN A 161 72.320 -10.069 -5.620 1.00 0.00 C ATOM 1005 O GLN A 161 72.998 -10.764 -6.374 1.00 0.00 O ATOM 1006 CB GLN A 161 70.833 -10.945 -3.815 1.00 0.00 C ATOM 1007 CG GLN A 161 70.786 -11.400 -2.355 1.00 0.00 C ATOM 1008 CD GLN A 161 69.382 -11.879 -1.994 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.406 -11.505 -2.645 1.00 0.00 O ATOM 1010 NE2 GLN A 161 69.222 -12.693 -0.987 1.00 0.00 N ATOM 0 H GLN A 161 71.703 -8.910 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 161 72.976 -11.135 -3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 161 70.075 -10.183 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.606 -11.782 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.504 -12.204 -2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 161 71.076 -10.578 -1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 161 70.031 -13.003 -0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.288 -13.020 -0.739 1.00 0.00 H new ATOM 1019 N ARG A 162 71.686 -8.976 -6.025 1.00 0.00 N ATOM 1020 CA ARG A 162 71.649 -8.599 -7.434 1.00 0.00 C ATOM 1021 C ARG A 162 73.057 -8.455 -8.006 1.00 0.00 C ATOM 1022 O ARG A 162 73.322 -8.870 -9.134 1.00 0.00 O ATOM 1023 CB ARG A 162 70.903 -7.271 -7.595 1.00 0.00 C ATOM 1024 CG ARG A 162 69.453 -7.418 -7.113 1.00 0.00 C ATOM 1025 CD ARG A 162 68.541 -6.466 -7.893 1.00 0.00 C ATOM 1026 NE ARG A 162 68.433 -6.897 -9.289 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.570 -7.835 -9.710 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.747 -8.445 -8.891 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.550 -8.151 -10.976 1.00 0.00 N ATOM 0 H ARG A 162 71.192 -8.337 -5.402 1.00 0.00 H new ATOM 0 HA ARG A 162 71.132 -9.388 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.407 -6.491 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.917 -6.961 -8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 162 69.119 -8.447 -7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.392 -7.201 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.552 -6.442 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.938 -5.452 -7.848 1.00 0.00 H new ATOM 0 HE ARG A 162 69.046 -6.461 -9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.749 -8.211 -7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 162 66.105 -9.153 -9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 162 68.183 -7.688 -11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 162 66.901 -8.862 -11.314 1.00 0.00 H new ATOM 1043 N ILE A 163 73.954 -7.868 -7.223 1.00 0.00 N ATOM 1044 CA ILE A 163 75.307 -7.584 -7.708 1.00 0.00 C ATOM 1045 C ILE A 163 76.286 -8.746 -7.499 1.00 0.00 C ATOM 1046 O ILE A 163 77.497 -8.559 -7.617 1.00 0.00 O ATOM 1047 CB ILE A 163 75.851 -6.323 -7.032 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.848 -6.509 -5.512 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.974 -5.126 -7.409 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.659 -5.389 -4.856 1.00 0.00 C ATOM 0 H ILE A 163 73.777 -7.581 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 163 75.224 -7.433 -8.784 1.00 0.00 H new ATOM 0 HB ILE A 163 76.873 -6.143 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.825 -6.499 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.273 -7.479 -5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.360 -4.227 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 163 74.986 -4.993 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.952 -5.305 -7.076 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.656 -5.523 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.685 -5.420 -5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.215 -4.425 -5.103 1.00 0.00 H new ATOM 1062 N GLY A 164 75.779 -9.937 -7.190 1.00 0.00 N ATOM 1063 CA GLY A 164 76.628 -11.123 -7.092 1.00 0.00 C ATOM 1064 C GLY A 164 77.482 -11.153 -5.821 1.00 0.00 C ATOM 1065 O GLY A 164 78.480 -11.872 -5.769 1.00 0.00 O ATOM 0 H GLY A 164 74.791 -10.107 -7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 164 76.001 -12.014 -7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.283 -11.166 -7.962 1.00 0.00 H new ATOM 1069 N ARG A 165 77.102 -10.384 -4.802 1.00 0.00 N ATOM 1070 CA ARG A 165 77.820 -10.408 -3.532 1.00 0.00 C ATOM 1071 C ARG A 165 77.112 -11.331 -2.546 1.00 0.00 C ATOM 1072 O ARG A 165 76.290 -10.887 -1.743 1.00 0.00 O ATOM 1073 CB ARG A 165 77.917 -8.996 -2.950 1.00 0.00 C ATOM 1074 CG ARG A 165 78.855 -8.153 -3.818 1.00 0.00 C ATOM 1075 CD ARG A 165 79.116 -6.809 -3.136 1.00 0.00 C ATOM 1076 NE ARG A 165 79.920 -5.946 -4.006 1.00 0.00 N ATOM 1077 CZ ARG A 165 81.208 -6.183 -4.298 1.00 0.00 C ATOM 1078 NH1 ARG A 165 81.857 -7.216 -3.815 1.00 0.00 N ATOM 1079 NH2 ARG A 165 81.839 -5.356 -5.086 1.00 0.00 N ATOM 0 H ARG A 165 76.309 -9.743 -4.831 1.00 0.00 H new ATOM 0 HA ARG A 165 78.827 -10.785 -3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.929 -8.538 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.289 -9.037 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.795 -8.682 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.412 -7.993 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 165 78.169 -6.322 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.634 -6.968 -2.190 1.00 0.00 H new ATOM 0 HE ARG A 165 79.477 -5.121 -4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 165 81.382 -7.872 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 165 82.836 -7.363 -4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 165 81.353 -4.545 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 165 82.818 -5.520 -5.319 1.00 0.00 H new