USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 118 LYS NZ :NH3+ -170:sc= 1.09 (180deg=0) USER MOD Set 1.2: A 122 GLN : amide:sc= 0.891 K(o=2,f=-14!) USER MOD Set 2.1: A 98 SER OG : rot 64:sc= 0.665 USER MOD Set 2.2: A 150 TYR OH : rot -28:sc= -1.47 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 174:sc= 0 (180deg=-0.052) USER MOD Single : A 106 LYS NZ :NH3+ -119:sc= -0.473 (180deg=-1.33!) USER MOD Single : A 107 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -133:sc= -4.27! (180deg=-8!) USER MOD Single : A 124 THR OG1 : rot 120:sc= -0.646 USER MOD Single : A 127 THR OG1 : rot -47:sc= 0.447 USER MOD Single : A 129 THR OG1 : rot -10:sc= 2.04 USER MOD Single : A 137 MET CE :methyl -176:sc= -1.88 (180deg=-1.99) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.9!) USER MOD Single : A 144 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.031) USER MOD Single : A 157 MET CE :methyl -102:sc= -2.59 (180deg=-4.33!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 2.326 13.037 -2.519 1.00 0.00 N ATOM 72 CA SER A 93 3.395 12.468 -1.704 1.00 0.00 C ATOM 73 C SER A 93 2.861 12.000 -0.352 1.00 0.00 C ATOM 74 O SER A 93 2.625 10.810 -0.146 1.00 0.00 O ATOM 75 CB SER A 93 4.515 13.492 -1.502 1.00 0.00 C ATOM 76 OG SER A 93 5.538 13.327 -2.469 1.00 0.00 O ATOM 0 HA SER A 93 3.798 11.603 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.106 14.500 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.935 13.384 -0.502 1.00 0.00 H new ATOM 0 HG SER A 93 6.240 13.994 -2.319 1.00 0.00 H new ATOM 82 N GLU A 94 2.673 12.944 0.565 1.00 0.00 N ATOM 83 CA GLU A 94 2.167 12.626 1.896 1.00 0.00 C ATOM 84 C GLU A 94 0.645 12.530 1.892 1.00 0.00 C ATOM 85 O GLU A 94 0.078 11.490 2.229 1.00 0.00 O ATOM 86 CB GLU A 94 2.620 13.685 2.903 1.00 0.00 C ATOM 87 CG GLU A 94 2.595 13.204 4.345 1.00 0.00 C ATOM 88 CD GLU A 94 2.020 14.237 5.294 1.00 0.00 C ATOM 89 OE1 GLU A 94 2.680 15.275 5.513 1.00 0.00 O ATOM 90 OE2 GLU A 94 0.910 14.009 5.818 1.00 0.00 O ATOM 0 H GLU A 94 2.863 13.934 0.411 1.00 0.00 H new ATOM 0 HA GLU A 94 2.573 11.658 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.632 14.003 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.978 14.561 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.006 12.289 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.608 12.953 4.658 1.00 0.00 H new ATOM 97 N GLU A 95 -0.011 13.621 1.510 1.00 0.00 N ATOM 98 CA GLU A 95 -1.468 13.661 1.462 1.00 0.00 C ATOM 99 C GLU A 95 -2.016 12.587 0.526 1.00 0.00 C ATOM 100 O GLU A 95 -3.142 12.118 0.696 1.00 0.00 O ATOM 101 CB GLU A 95 -1.946 15.041 1.008 1.00 0.00 C ATOM 102 CG GLU A 95 -1.719 16.133 2.040 1.00 0.00 C ATOM 103 CD GLU A 95 -0.406 16.864 1.836 1.00 0.00 C ATOM 104 OE1 GLU A 95 0.637 16.188 1.711 1.00 0.00 O ATOM 105 OE2 GLU A 95 -0.421 18.112 1.802 1.00 0.00 O ATOM 0 H GLU A 95 0.444 14.490 1.229 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.843 13.465 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.430 15.310 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.009 14.989 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.540 16.848 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.735 15.694 3.038 1.00 0.00 H new ATOM 112 N GLU A 96 -1.215 12.202 -0.463 1.00 0.00 N ATOM 113 CA GLU A 96 -1.622 11.184 -1.425 1.00 0.00 C ATOM 114 C GLU A 96 -2.008 9.888 -0.718 1.00 0.00 C ATOM 115 O GLU A 96 -3.055 9.304 -0.999 1.00 0.00 O ATOM 116 CB GLU A 96 -0.494 10.916 -2.423 1.00 0.00 C ATOM 117 CG GLU A 96 -0.884 9.963 -3.540 1.00 0.00 C ATOM 118 CD GLU A 96 0.255 9.700 -4.506 1.00 0.00 C ATOM 119 OE1 GLU A 96 1.133 8.876 -4.178 1.00 0.00 O ATOM 120 OE2 GLU A 96 0.267 10.319 -5.591 1.00 0.00 O ATOM 0 H GLU A 96 -0.280 12.580 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.494 11.557 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.174 11.862 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.363 10.505 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.215 9.018 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.731 10.377 -4.087 1.00 0.00 H new ATOM 127 N LEU A 97 -1.157 9.445 0.202 1.00 0.00 N ATOM 128 CA LEU A 97 -1.411 8.219 0.949 1.00 0.00 C ATOM 129 C LEU A 97 -2.617 8.383 1.869 1.00 0.00 C ATOM 130 O LEU A 97 -3.332 7.421 2.148 1.00 0.00 O ATOM 131 CB LEU A 97 -0.177 7.833 1.768 1.00 0.00 C ATOM 132 CG LEU A 97 0.870 7.011 1.012 1.00 0.00 C ATOM 133 CD1 LEU A 97 2.268 7.551 1.274 1.00 0.00 C ATOM 134 CD2 LEU A 97 0.780 5.543 1.405 1.00 0.00 C ATOM 0 H LEU A 97 -0.286 9.916 0.448 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.628 7.425 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.295 8.744 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.501 7.266 2.641 1.00 0.00 H new ATOM 0 HG LEU A 97 0.667 7.095 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.997 6.953 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.326 8.587 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.484 7.500 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.531 4.973 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.956 5.442 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.212 5.162 1.163 1.00 0.00 H new ATOM 146 N SER A 98 -2.839 9.608 2.337 1.00 0.00 N ATOM 147 CA SER A 98 -3.959 9.900 3.226 1.00 0.00 C ATOM 148 C SER A 98 -5.273 9.394 2.636 1.00 0.00 C ATOM 149 O SER A 98 -6.155 8.934 3.362 1.00 0.00 O ATOM 150 CB SER A 98 -4.050 11.405 3.486 1.00 0.00 C ATOM 151 OG SER A 98 -4.430 11.669 4.826 1.00 0.00 O ATOM 0 H SER A 98 -2.257 10.416 2.115 1.00 0.00 H new ATOM 0 HA SER A 98 -3.784 9.383 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.087 11.872 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.774 11.852 2.805 1.00 0.00 H new ATOM 0 HG SER A 98 -3.732 11.347 5.434 1.00 0.00 H new ATOM 157 N ASP A 99 -5.394 9.483 1.316 1.00 0.00 N ATOM 158 CA ASP A 99 -6.599 9.034 0.627 1.00 0.00 C ATOM 159 C ASP A 99 -6.551 7.531 0.368 1.00 0.00 C ATOM 160 O ASP A 99 -7.589 6.872 0.292 1.00 0.00 O ATOM 161 CB ASP A 99 -6.765 9.785 -0.695 1.00 0.00 C ATOM 162 CG ASP A 99 -8.219 9.933 -1.096 1.00 0.00 C ATOM 163 OD1 ASP A 99 -8.910 8.900 -1.217 1.00 0.00 O ATOM 164 OD2 ASP A 99 -8.667 11.083 -1.290 1.00 0.00 O ATOM 0 H ASP A 99 -4.673 9.862 0.702 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.454 9.247 1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.312 10.773 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -6.226 9.256 -1.481 1.00 0.00 H new ATOM 169 N LEU A 100 -5.343 6.994 0.231 1.00 0.00 N ATOM 170 CA LEU A 100 -5.164 5.568 -0.021 1.00 0.00 C ATOM 171 C LEU A 100 -5.499 4.746 1.220 1.00 0.00 C ATOM 172 O LEU A 100 -6.145 3.703 1.128 1.00 0.00 O ATOM 173 CB LEU A 100 -3.727 5.282 -0.463 1.00 0.00 C ATOM 174 CG LEU A 100 -3.450 5.495 -1.955 1.00 0.00 C ATOM 175 CD1 LEU A 100 -2.080 6.126 -2.161 1.00 0.00 C ATOM 176 CD2 LEU A 100 -3.550 4.177 -2.709 1.00 0.00 C ATOM 0 H LEU A 100 -4.474 7.524 0.290 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.848 5.280 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.054 5.919 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.484 4.251 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.204 6.176 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.902 6.269 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.044 7.090 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.312 5.471 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.350 4.347 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.819 3.473 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.552 3.765 -2.590 1.00 0.00 H new ATOM 188 N PHE A 101 -5.054 5.221 2.381 1.00 0.00 N ATOM 189 CA PHE A 101 -5.306 4.525 3.640 1.00 0.00 C ATOM 190 C PHE A 101 -6.803 4.351 3.881 1.00 0.00 C ATOM 191 O PHE A 101 -7.252 3.291 4.316 1.00 0.00 O ATOM 192 CB PHE A 101 -4.681 5.293 4.806 1.00 0.00 C ATOM 193 CG PHE A 101 -4.512 4.469 6.052 1.00 0.00 C ATOM 194 CD1 PHE A 101 -3.646 3.387 6.074 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.216 4.782 7.204 1.00 0.00 C ATOM 196 CE1 PHE A 101 -3.485 2.633 7.221 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.060 4.031 8.353 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.193 2.955 8.362 1.00 0.00 C ATOM 0 H PHE A 101 -4.518 6.084 2.476 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.849 3.537 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.707 5.674 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.304 6.158 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.090 3.130 5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.894 5.622 7.203 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.806 1.793 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.615 4.285 9.244 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.069 2.367 9.260 1.00 0.00 H new ATOM 208 N ARG A 102 -7.568 5.400 3.600 1.00 0.00 N ATOM 209 CA ARG A 102 -9.015 5.366 3.789 1.00 0.00 C ATOM 210 C ARG A 102 -9.647 4.216 3.010 1.00 0.00 C ATOM 211 O ARG A 102 -10.374 3.398 3.574 1.00 0.00 O ATOM 212 CB ARG A 102 -9.636 6.694 3.351 1.00 0.00 C ATOM 213 CG ARG A 102 -9.090 7.898 4.103 1.00 0.00 C ATOM 214 CD ARG A 102 -10.201 8.688 4.778 1.00 0.00 C ATOM 215 NE ARG A 102 -9.997 10.130 4.658 1.00 0.00 N ATOM 216 CZ ARG A 102 -10.605 11.031 5.427 1.00 0.00 C ATOM 217 NH1 ARG A 102 -11.452 10.643 6.373 1.00 0.00 N ATOM 218 NH2 ARG A 102 -10.364 12.323 5.251 1.00 0.00 N ATOM 0 H ARG A 102 -7.211 6.285 3.240 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.211 5.208 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.462 6.833 2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.715 6.646 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.373 7.565 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.551 8.546 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.159 8.419 4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.251 8.415 5.832 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.351 10.466 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.640 9.650 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.915 11.338 6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.713 12.626 4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.830 13.013 5.840 1.00 0.00 H new ATOM 232 N MET A 103 -9.371 4.165 1.712 1.00 0.00 N ATOM 233 CA MET A 103 -9.918 3.118 0.854 1.00 0.00 C ATOM 234 C MET A 103 -9.358 1.749 1.230 1.00 0.00 C ATOM 235 O MET A 103 -10.034 0.731 1.083 1.00 0.00 O ATOM 236 CB MET A 103 -9.611 3.423 -0.613 1.00 0.00 C ATOM 237 CG MET A 103 -10.446 4.557 -1.186 1.00 0.00 C ATOM 238 SD MET A 103 -9.486 5.669 -2.231 1.00 0.00 S ATOM 239 CE MET A 103 -8.966 4.551 -3.529 1.00 0.00 C ATOM 0 H MET A 103 -8.772 4.835 1.230 1.00 0.00 H new ATOM 0 HA MET A 103 -10.998 3.096 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 103 -8.555 3.676 -0.710 1.00 0.00 H new ATOM 0 HB3 MET A 103 -9.779 2.524 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 103 -11.269 4.139 -1.766 1.00 0.00 H new ATOM 0 HG3 MET A 103 -10.889 5.126 -0.368 1.00 0.00 H new ATOM 0 HE1 MET A 103 -8.452 5.113 -4.309 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.290 3.803 -3.115 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.839 4.056 -3.954 1.00 0.00 H new ATOM 249 N PHE A 104 -8.121 1.732 1.714 1.00 0.00 N ATOM 250 CA PHE A 104 -7.472 0.486 2.109 1.00 0.00 C ATOM 251 C PHE A 104 -7.971 0.019 3.474 1.00 0.00 C ATOM 252 O PHE A 104 -8.000 -1.178 3.758 1.00 0.00 O ATOM 253 CB PHE A 104 -5.953 0.667 2.141 1.00 0.00 C ATOM 254 CG PHE A 104 -5.201 -0.421 1.428 1.00 0.00 C ATOM 255 CD1 PHE A 104 -5.147 -1.702 1.954 1.00 0.00 C ATOM 256 CD2 PHE A 104 -4.547 -0.163 0.235 1.00 0.00 C ATOM 257 CE1 PHE A 104 -4.454 -2.705 1.302 1.00 0.00 C ATOM 258 CE2 PHE A 104 -3.852 -1.162 -0.421 1.00 0.00 C ATOM 259 CZ PHE A 104 -3.806 -2.434 0.114 1.00 0.00 C ATOM 0 H PHE A 104 -7.548 2.566 1.842 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.725 -0.276 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.701 1.627 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.622 0.705 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.652 -1.919 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.580 0.830 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.420 -3.699 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.346 -0.948 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.264 -3.216 -0.397 1.00 0.00 H new ATOM 269 N ASP A 105 -8.359 0.972 4.315 1.00 0.00 N ATOM 270 CA ASP A 105 -8.853 0.659 5.650 1.00 0.00 C ATOM 271 C ASP A 105 -10.371 0.501 5.650 1.00 0.00 C ATOM 272 O ASP A 105 -11.089 1.286 6.270 1.00 0.00 O ATOM 273 CB ASP A 105 -8.440 1.752 6.638 1.00 0.00 C ATOM 274 CG ASP A 105 -8.555 1.302 8.081 1.00 0.00 C ATOM 275 OD1 ASP A 105 -8.494 0.079 8.328 1.00 0.00 O ATOM 276 OD2 ASP A 105 -8.706 2.172 8.964 1.00 0.00 O ATOM 0 H ASP A 105 -8.341 1.968 4.095 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.411 -0.288 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.412 2.052 6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.065 2.632 6.484 1.00 0.00 H new ATOM 281 N LYS A 106 -10.853 -0.522 4.951 1.00 0.00 N ATOM 282 CA LYS A 106 -12.286 -0.788 4.872 1.00 0.00 C ATOM 283 C LYS A 106 -12.879 -0.992 6.262 1.00 0.00 C ATOM 284 O LYS A 106 -14.043 -0.676 6.505 1.00 0.00 O ATOM 285 CB LYS A 106 -12.548 -2.023 4.010 1.00 0.00 C ATOM 286 CG LYS A 106 -11.834 -3.273 4.501 1.00 0.00 C ATOM 287 CD LYS A 106 -10.692 -3.664 3.577 1.00 0.00 C ATOM 288 CE LYS A 106 -11.189 -3.959 2.170 1.00 0.00 C ATOM 289 NZ LYS A 106 -10.848 -2.865 1.219 1.00 0.00 N ATOM 0 H LYS A 106 -10.273 -1.180 4.431 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.766 0.077 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.621 -2.215 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.235 -1.814 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.448 -3.101 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.545 -4.096 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.958 -2.859 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.184 -4.542 3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.752 -4.894 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.270 -4.100 2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.722 -2.461 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.318 -2.123 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.265 -3.246 0.446 1.00 0.00 H new ATOM 303 N ASN A 107 -12.067 -1.522 7.169 1.00 0.00 N ATOM 304 CA ASN A 107 -12.503 -1.771 8.537 1.00 0.00 C ATOM 305 C ASN A 107 -12.758 -0.459 9.270 1.00 0.00 C ATOM 306 O ASN A 107 -13.579 -0.395 10.185 1.00 0.00 O ATOM 307 CB ASN A 107 -11.452 -2.594 9.286 1.00 0.00 C ATOM 308 CG ASN A 107 -12.071 -3.660 10.168 1.00 0.00 C ATOM 309 OD1 ASN A 107 -13.270 -3.927 10.091 1.00 0.00 O ATOM 310 ND2 ASN A 107 -11.253 -4.276 11.014 1.00 0.00 N ATOM 0 H ASN A 107 -11.101 -1.788 6.981 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.436 -2.334 8.501 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.784 -3.066 8.566 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.843 -1.929 9.898 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.612 -5.002 11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.265 -4.023 11.044 1.00 0.00 H new ATOM 317 N ALA A 108 -12.046 0.586 8.861 1.00 0.00 N ATOM 318 CA ALA A 108 -12.190 1.898 9.476 1.00 0.00 C ATOM 319 C ALA A 108 -11.788 1.862 10.947 1.00 0.00 C ATOM 320 O ALA A 108 -12.576 2.211 11.827 1.00 0.00 O ATOM 321 CB ALA A 108 -13.619 2.399 9.325 1.00 0.00 C ATOM 0 H ALA A 108 -11.363 0.548 8.105 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.521 2.589 8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.711 3.381 9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -13.869 2.473 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.302 1.702 9.811 1.00 0.00 H new ATOM 327 N ASP A 109 -10.557 1.436 11.207 1.00 0.00 N ATOM 328 CA ASP A 109 -10.048 1.352 12.571 1.00 0.00 C ATOM 329 C ASP A 109 -8.871 2.302 12.771 1.00 0.00 C ATOM 330 O ASP A 109 -8.797 3.012 13.773 1.00 0.00 O ATOM 331 CB ASP A 109 -9.621 -0.081 12.892 1.00 0.00 C ATOM 332 CG ASP A 109 -8.533 -0.583 11.962 1.00 0.00 C ATOM 333 OD1 ASP A 109 -8.425 -0.055 10.835 1.00 0.00 O ATOM 334 OD2 ASP A 109 -7.788 -1.502 12.362 1.00 0.00 O ATOM 0 H ASP A 109 -9.893 1.143 10.491 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.849 1.645 13.250 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.266 -0.129 13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.487 -0.739 12.822 1.00 0.00 H new ATOM 339 N GLY A 110 -7.953 2.309 11.809 1.00 0.00 N ATOM 340 CA GLY A 110 -6.794 3.177 11.900 1.00 0.00 C ATOM 341 C GLY A 110 -5.498 2.461 11.566 1.00 0.00 C ATOM 342 O GLY A 110 -4.481 3.103 11.304 1.00 0.00 O ATOM 0 H GLY A 110 -7.991 1.730 10.970 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -6.923 4.021 11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -6.729 3.585 12.909 1.00 0.00 H new ATOM 346 N TYR A 111 -5.530 1.131 11.577 1.00 0.00 N ATOM 347 CA TYR A 111 -4.343 0.335 11.275 1.00 0.00 C ATOM 348 C TYR A 111 -4.684 -0.801 10.313 1.00 0.00 C ATOM 349 O TYR A 111 -5.855 -1.127 10.119 1.00 0.00 O ATOM 350 CB TYR A 111 -3.739 -0.237 12.562 1.00 0.00 C ATOM 351 CG TYR A 111 -3.921 0.652 13.774 1.00 0.00 C ATOM 352 CD1 TYR A 111 -3.515 1.980 13.753 1.00 0.00 C ATOM 353 CD2 TYR A 111 -4.498 0.161 14.939 1.00 0.00 C ATOM 354 CE1 TYR A 111 -3.679 2.794 14.857 1.00 0.00 C ATOM 355 CE2 TYR A 111 -4.667 0.969 16.047 1.00 0.00 C ATOM 356 CZ TYR A 111 -4.255 2.284 16.001 1.00 0.00 C ATOM 357 OH TYR A 111 -4.421 3.093 17.103 1.00 0.00 O ATOM 0 H TYR A 111 -6.363 0.582 11.791 1.00 0.00 H new ATOM 0 HA TYR A 111 -3.611 0.988 10.800 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -4.192 -1.207 12.764 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -2.674 -0.409 12.407 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.063 2.383 12.859 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -4.820 -0.869 14.979 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -3.358 3.825 14.824 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -5.119 0.573 16.944 1.00 0.00 H new ATOM 0 HH TYR A 111 -4.843 2.581 17.824 1.00 0.00 H new ATOM 367 N ILE A 112 -3.658 -1.407 9.713 1.00 0.00 N ATOM 368 CA ILE A 112 -3.875 -2.508 8.778 1.00 0.00 C ATOM 369 C ILE A 112 -3.260 -3.803 9.300 1.00 0.00 C ATOM 370 O ILE A 112 -2.171 -3.799 9.873 1.00 0.00 O ATOM 371 CB ILE A 112 -3.289 -2.201 7.385 1.00 0.00 C ATOM 372 CG1 ILE A 112 -3.683 -0.791 6.937 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.758 -3.236 6.375 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.205 -0.440 5.543 1.00 0.00 C ATOM 0 H ILE A 112 -2.680 -1.157 9.856 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.954 -2.629 8.687 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.202 -2.248 7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.768 -0.697 6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.277 -0.068 7.644 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.336 -3.006 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.428 -4.226 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.846 -3.218 6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.521 0.573 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.117 -0.500 5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.632 -1.140 4.825 1.00 0.00 H new ATOM 386 N ASP A 113 -3.968 -4.910 9.098 1.00 0.00 N ATOM 387 CA ASP A 113 -3.495 -6.214 9.548 1.00 0.00 C ATOM 388 C ASP A 113 -3.610 -7.247 8.431 1.00 0.00 C ATOM 389 O ASP A 113 -3.829 -6.899 7.271 1.00 0.00 O ATOM 390 CB ASP A 113 -4.291 -6.674 10.771 1.00 0.00 C ATOM 391 CG ASP A 113 -3.416 -7.349 11.810 1.00 0.00 C ATOM 392 OD1 ASP A 113 -2.435 -8.015 11.417 1.00 0.00 O ATOM 393 OD2 ASP A 113 -3.711 -7.210 13.015 1.00 0.00 O ATOM 0 H ASP A 113 -4.872 -4.930 8.625 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.445 -6.119 9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.788 -5.815 11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.072 -7.365 10.454 1.00 0.00 H new ATOM 398 N LEU A 114 -3.462 -8.520 8.788 1.00 0.00 N ATOM 399 CA LEU A 114 -3.550 -9.604 7.815 1.00 0.00 C ATOM 400 C LEU A 114 -4.874 -9.552 7.057 1.00 0.00 C ATOM 401 O LEU A 114 -4.953 -9.958 5.898 1.00 0.00 O ATOM 402 CB LEU A 114 -3.400 -10.958 8.512 1.00 0.00 C ATOM 403 CG LEU A 114 -1.962 -11.471 8.625 1.00 0.00 C ATOM 404 CD1 LEU A 114 -1.393 -11.165 10.002 1.00 0.00 C ATOM 405 CD2 LEU A 114 -1.903 -12.965 8.343 1.00 0.00 C ATOM 0 H LEU A 114 -3.281 -8.826 9.744 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.738 -9.480 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.823 -10.883 9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.992 -11.696 7.971 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.355 -10.957 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.370 -11.537 10.064 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.398 -10.087 10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.003 -11.651 10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.873 -13.311 8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.525 -13.496 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.269 -13.160 7.335 1.00 0.00 H new ATOM 417 N GLU A 115 -5.910 -9.047 7.719 1.00 0.00 N ATOM 418 CA GLU A 115 -7.229 -8.940 7.107 1.00 0.00 C ATOM 419 C GLU A 115 -7.190 -8.011 5.897 1.00 0.00 C ATOM 420 O GLU A 115 -7.445 -8.433 4.769 1.00 0.00 O ATOM 421 CB GLU A 115 -8.247 -8.426 8.127 1.00 0.00 C ATOM 422 CG GLU A 115 -8.278 -9.269 9.387 1.00 0.00 C ATOM 423 OE1 GLU A 115 -8.084 -10.499 9.283 1.00 0.00 O ATOM 424 OE2 GLU A 115 -8.495 -8.699 10.477 1.00 0.00 O ATOM 0 H GLU A 115 -5.861 -8.706 8.679 1.00 0.00 H new ATOM 0 HA GLU A 115 -7.531 -9.933 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.007 -7.395 8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.238 -8.417 7.674 1.00 0.00 H new ATOM 429 N GLU A 116 -6.865 -6.745 6.141 1.00 0.00 N ATOM 430 CA GLU A 116 -6.788 -5.757 5.072 1.00 0.00 C ATOM 431 C GLU A 116 -5.649 -6.086 4.114 1.00 0.00 C ATOM 432 O GLU A 116 -5.723 -5.788 2.921 1.00 0.00 O ATOM 433 CB GLU A 116 -6.592 -4.357 5.656 1.00 0.00 C ATOM 434 CG GLU A 116 -7.888 -3.688 6.084 1.00 0.00 C ATOM 435 CD GLU A 116 -7.809 -3.103 7.481 1.00 0.00 C ATOM 436 OE1 GLU A 116 -7.031 -2.147 7.681 1.00 0.00 O ATOM 437 OE2 GLU A 116 -8.525 -3.602 8.375 1.00 0.00 O ATOM 0 H GLU A 116 -6.651 -6.380 7.069 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.726 -5.782 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.925 -4.421 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.097 -3.730 4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.135 -2.897 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.699 -4.416 6.044 1.00 0.00 H new ATOM 444 N LEU A 117 -4.597 -6.708 4.640 1.00 0.00 N ATOM 445 CA LEU A 117 -3.445 -7.082 3.825 1.00 0.00 C ATOM 446 C LEU A 117 -3.887 -7.883 2.607 1.00 0.00 C ATOM 447 O LEU A 117 -3.273 -7.806 1.542 1.00 0.00 O ATOM 448 CB LEU A 117 -2.444 -7.890 4.655 1.00 0.00 C ATOM 449 CG LEU A 117 -1.090 -7.209 4.870 1.00 0.00 C ATOM 450 CD1 LEU A 117 -0.826 -6.994 6.352 1.00 0.00 C ATOM 451 CD2 LEU A 117 0.027 -8.029 4.240 1.00 0.00 C ATOM 0 H LEU A 117 -4.519 -6.963 5.624 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.958 -6.170 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.887 -8.101 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.278 -8.850 4.165 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.117 -6.234 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.141 -6.509 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.608 -6.363 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.821 -7.956 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.982 -7.529 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.053 -9.019 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.153 -8.127 3.169 1.00 0.00 H new ATOM 463 N LYS A 118 -4.966 -8.641 2.767 1.00 0.00 N ATOM 464 CA LYS A 118 -5.504 -9.445 1.678 1.00 0.00 C ATOM 465 C LYS A 118 -5.773 -8.563 0.463 1.00 0.00 C ATOM 466 O LYS A 118 -5.580 -8.978 -0.680 1.00 0.00 O ATOM 467 CB LYS A 118 -6.793 -10.139 2.124 1.00 0.00 C ATOM 468 CG LYS A 118 -7.237 -11.263 1.200 1.00 0.00 C ATOM 469 CD LYS A 118 -8.039 -10.740 0.018 1.00 0.00 C ATOM 470 CE LYS A 118 -9.239 -9.921 0.469 1.00 0.00 C ATOM 471 NZ LYS A 118 -10.415 -10.120 -0.422 1.00 0.00 N ATOM 0 H LYS A 118 -5.485 -8.715 3.642 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.773 -10.206 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -6.650 -10.541 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -7.590 -9.398 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.362 -11.801 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.840 -11.977 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -7.397 -10.127 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -8.379 -11.578 -0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.505 -10.199 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.971 -8.864 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.151 -9.424 -0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -10.125 -9.994 -1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.792 -11.081 -0.291 1.00 0.00 H new ATOM 485 N ILE A 119 -6.207 -7.335 0.730 1.00 0.00 N ATOM 486 CA ILE A 119 -6.496 -6.368 -0.322 1.00 0.00 C ATOM 487 C ILE A 119 -5.340 -6.280 -1.316 1.00 0.00 C ATOM 488 O ILE A 119 -5.548 -6.041 -2.505 1.00 0.00 O ATOM 489 CB ILE A 119 -6.767 -4.972 0.278 1.00 0.00 C ATOM 490 CG1 ILE A 119 -7.949 -5.035 1.246 1.00 0.00 C ATOM 491 CG2 ILE A 119 -7.027 -3.946 -0.816 1.00 0.00 C ATOM 492 CD1 ILE A 119 -7.853 -4.041 2.382 1.00 0.00 C ATOM 0 H ILE A 119 -6.367 -6.985 1.674 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.388 -6.710 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.879 -4.658 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -8.871 -4.855 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -8.017 -6.041 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.215 -2.972 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.156 -3.881 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -7.896 -4.249 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.725 -4.142 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.949 -4.234 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -7.816 -3.029 1.978 1.00 0.00 H new ATOM 504 N MET A 120 -4.124 -6.485 -0.820 1.00 0.00 N ATOM 505 CA MET A 120 -2.939 -6.439 -1.667 1.00 0.00 C ATOM 506 C MET A 120 -2.908 -7.644 -2.600 1.00 0.00 C ATOM 507 O MET A 120 -2.420 -7.559 -3.727 1.00 0.00 O ATOM 508 CB MET A 120 -1.672 -6.408 -0.810 1.00 0.00 C ATOM 509 CG MET A 120 -1.666 -5.299 0.230 1.00 0.00 C ATOM 510 SD MET A 120 -0.673 -3.880 -0.273 1.00 0.00 S ATOM 511 CE MET A 120 -0.972 -2.757 1.090 1.00 0.00 C ATOM 0 H MET A 120 -3.934 -6.684 0.162 1.00 0.00 H new ATOM 0 HA MET A 120 -2.979 -5.530 -2.267 1.00 0.00 H new ATOM 0 HB2 MET A 120 -1.561 -7.368 -0.306 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.806 -6.288 -1.461 1.00 0.00 H new ATOM 0 HG2 MET A 120 -2.690 -4.974 0.415 1.00 0.00 H new ATOM 0 HG3 MET A 120 -1.281 -5.691 1.171 1.00 0.00 H new ATOM 0 HE1 MET A 120 -1.209 -1.767 0.700 1.00 0.00 H new ATOM 0 HE2 MET A 120 -1.808 -3.123 1.686 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.081 -2.697 1.714 1.00 0.00 H new ATOM 521 N LEU A 121 -3.439 -8.765 -2.121 1.00 0.00 N ATOM 522 CA LEU A 121 -3.481 -9.991 -2.909 1.00 0.00 C ATOM 523 C LEU A 121 -4.382 -9.821 -4.129 1.00 0.00 C ATOM 524 O LEU A 121 -4.173 -10.457 -5.161 1.00 0.00 O ATOM 525 CB LEU A 121 -3.978 -11.156 -2.051 1.00 0.00 C ATOM 526 CG LEU A 121 -3.236 -12.477 -2.258 1.00 0.00 C ATOM 527 CD1 LEU A 121 -3.358 -12.939 -3.701 1.00 0.00 C ATOM 528 CD2 LEU A 121 -1.774 -12.335 -1.862 1.00 0.00 C ATOM 0 H LEU A 121 -3.846 -8.849 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.470 -10.209 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.899 -10.873 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.036 -11.315 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.693 -13.232 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.823 -13.880 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.410 -13.082 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.929 -12.186 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.261 -13.285 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.304 -11.566 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.707 -12.053 -0.811 1.00 0.00 H new ATOM 540 N GLN A 122 -5.382 -8.954 -4.007 1.00 0.00 N ATOM 541 CA GLN A 122 -6.304 -8.700 -5.107 1.00 0.00 C ATOM 542 C GLN A 122 -5.543 -8.255 -6.353 1.00 0.00 C ATOM 543 O GLN A 122 -6.026 -8.403 -7.476 1.00 0.00 O ATOM 544 CB GLN A 122 -7.325 -7.632 -4.709 1.00 0.00 C ATOM 545 CG GLN A 122 -8.739 -8.168 -4.557 1.00 0.00 C ATOM 546 CD GLN A 122 -9.156 -8.313 -3.107 1.00 0.00 C ATOM 547 OE1 GLN A 122 -9.089 -9.401 -2.535 1.00 0.00 O ATOM 548 NE2 GLN A 122 -9.590 -7.212 -2.503 1.00 0.00 N ATOM 0 H GLN A 122 -5.574 -8.418 -3.161 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.831 -9.627 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.015 -7.177 -3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.324 -6.842 -5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.433 -7.499 -5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -8.811 -9.137 -5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.629 -6.331 -3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -9.884 -7.248 -1.527 1.00 0.00 H new ATOM 557 N ALA A 123 -4.351 -7.706 -6.142 1.00 0.00 N ATOM 558 CA ALA A 123 -3.519 -7.234 -7.241 1.00 0.00 C ATOM 559 C ALA A 123 -2.709 -8.371 -7.859 1.00 0.00 C ATOM 560 O ALA A 123 -2.315 -8.298 -9.022 1.00 0.00 O ATOM 561 CB ALA A 123 -2.590 -6.131 -6.759 1.00 0.00 C ATOM 0 H ALA A 123 -3.940 -7.577 -5.218 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.179 -6.837 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.973 -5.786 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.181 -5.299 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.949 -6.516 -5.966 1.00 0.00 H new ATOM 567 N THR A 124 -2.456 -9.418 -7.076 1.00 0.00 N ATOM 568 CA THR A 124 -1.684 -10.557 -7.564 1.00 0.00 C ATOM 569 C THR A 124 -2.579 -11.767 -7.828 1.00 0.00 C ATOM 570 O THR A 124 -2.658 -12.253 -8.957 1.00 0.00 O ATOM 571 CB THR A 124 -0.572 -10.922 -6.573 1.00 0.00 C ATOM 572 OG1 THR A 124 -0.085 -12.229 -6.824 1.00 0.00 O ATOM 573 CG2 THR A 124 -0.997 -10.866 -5.121 1.00 0.00 C ATOM 0 H THR A 124 -2.771 -9.501 -6.110 1.00 0.00 H new ATOM 0 HA THR A 124 -1.228 -10.265 -8.510 1.00 0.00 H new ATOM 0 HB THR A 124 0.199 -10.168 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 124 0.871 -12.187 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 124 -0.155 -11.137 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.326 -9.856 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.817 -11.565 -4.955 1.00 0.00 H new ATOM 581 N GLY A 125 -3.250 -12.251 -6.787 1.00 0.00 N ATOM 582 CA GLY A 125 -4.128 -13.399 -6.936 1.00 0.00 C ATOM 583 C GLY A 125 -3.452 -14.573 -7.623 1.00 0.00 C ATOM 584 O GLY A 125 -4.100 -15.336 -8.338 1.00 0.00 O ATOM 0 H GLY A 125 -3.202 -11.869 -5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.479 -13.712 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.007 -13.106 -7.509 1.00 0.00 H new ATOM 588 N GLU A 126 -2.147 -14.718 -7.406 1.00 0.00 N ATOM 589 CA GLU A 126 -1.392 -15.809 -8.014 1.00 0.00 C ATOM 590 C GLU A 126 0.055 -15.817 -7.529 1.00 0.00 C ATOM 591 O GLU A 126 0.530 -14.845 -6.946 1.00 0.00 O ATOM 592 CB GLU A 126 -1.429 -15.693 -9.539 1.00 0.00 C ATOM 593 CG GLU A 126 -1.007 -16.965 -10.257 1.00 0.00 C ATOM 594 CD GLU A 126 -1.690 -17.131 -11.600 1.00 0.00 C ATOM 595 OE1 GLU A 126 -2.868 -17.548 -11.619 1.00 0.00 O ATOM 596 OE2 GLU A 126 -1.049 -16.844 -12.632 1.00 0.00 O ATOM 0 H GLU A 126 -1.593 -14.097 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.858 -16.747 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.439 -15.428 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.776 -14.877 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.073 -16.955 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -1.236 -17.826 -9.628 1.00 0.00 H new ATOM 603 N THR A 127 0.744 -16.928 -7.779 1.00 0.00 N ATOM 604 CA THR A 127 2.142 -17.094 -7.382 1.00 0.00 C ATOM 605 C THR A 127 2.360 -16.760 -5.904 1.00 0.00 C ATOM 606 O THR A 127 3.446 -16.335 -5.510 1.00 0.00 O ATOM 607 CB THR A 127 3.063 -16.246 -8.269 1.00 0.00 C ATOM 608 OG1 THR A 127 4.416 -16.623 -8.086 1.00 0.00 O ATOM 609 CG2 THR A 127 2.968 -14.757 -8.012 1.00 0.00 C ATOM 0 H THR A 127 0.351 -17.737 -8.261 1.00 0.00 H new ATOM 0 HA THR A 127 2.395 -18.145 -7.520 1.00 0.00 H new ATOM 0 HB THR A 127 2.724 -16.437 -9.287 1.00 0.00 H new ATOM 0 HG1 THR A 127 4.611 -16.686 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 127 3.649 -14.229 -8.679 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.948 -14.421 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 127 3.239 -14.548 -6.977 1.00 0.00 H new ATOM 617 N ILE A 128 1.328 -16.977 -5.090 1.00 0.00 N ATOM 618 CA ILE A 128 1.407 -16.723 -3.650 1.00 0.00 C ATOM 619 C ILE A 128 0.072 -17.023 -2.966 1.00 0.00 C ATOM 620 O ILE A 128 -0.138 -18.126 -2.463 1.00 0.00 O ATOM 621 CB ILE A 128 1.837 -15.272 -3.318 1.00 0.00 C ATOM 622 CG1 ILE A 128 1.451 -14.308 -4.442 1.00 0.00 C ATOM 623 CG2 ILE A 128 3.335 -15.210 -3.050 1.00 0.00 C ATOM 624 CD1 ILE A 128 1.421 -12.859 -4.008 1.00 0.00 C ATOM 0 H ILE A 128 0.424 -17.329 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 128 2.176 -17.395 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 128 1.308 -14.962 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.158 -14.419 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.469 -14.585 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.621 -14.184 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.581 -15.855 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.877 -15.547 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.140 -12.232 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.693 -12.734 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 128 2.408 -12.566 -3.651 1.00 0.00 H new ATOM 636 N THR A 129 -0.826 -16.040 -2.951 1.00 0.00 N ATOM 637 CA THR A 129 -2.137 -16.205 -2.330 1.00 0.00 C ATOM 638 C THR A 129 -2.004 -16.560 -0.852 1.00 0.00 C ATOM 639 O THR A 129 -1.565 -17.655 -0.503 1.00 0.00 O ATOM 640 CB THR A 129 -2.943 -17.286 -3.056 1.00 0.00 C ATOM 641 OG1 THR A 129 -2.562 -18.578 -2.619 1.00 0.00 O ATOM 642 CG2 THR A 129 -2.788 -17.245 -4.562 1.00 0.00 C ATOM 0 H THR A 129 -0.669 -15.120 -3.363 1.00 0.00 H new ATOM 0 HA THR A 129 -2.665 -15.255 -2.410 1.00 0.00 H new ATOM 0 HB THR A 129 -3.984 -17.078 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.752 -18.512 -2.071 1.00 0.00 H new ATOM 0 HG21 THR A 129 -3.386 -18.038 -5.011 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.127 -16.279 -4.936 1.00 0.00 H new ATOM 0 HG23 THR A 129 -1.740 -17.389 -4.824 1.00 0.00 H new ATOM 650 N GLU A 130 -2.394 -15.626 0.013 1.00 0.00 N ATOM 651 CA GLU A 130 -2.328 -15.834 1.459 1.00 0.00 C ATOM 652 C GLU A 130 -0.886 -15.794 1.962 1.00 0.00 C ATOM 653 O GLU A 130 -0.533 -14.955 2.789 1.00 0.00 O ATOM 654 CB GLU A 130 -2.982 -17.165 1.842 1.00 0.00 C ATOM 655 CG GLU A 130 -4.148 -17.011 2.805 1.00 0.00 C ATOM 656 CD GLU A 130 -5.458 -17.506 2.222 1.00 0.00 C ATOM 657 OE1 GLU A 130 -5.635 -18.738 2.123 1.00 0.00 O ATOM 658 OE2 GLU A 130 -6.306 -16.661 1.865 1.00 0.00 O ATOM 0 H GLU A 130 -2.760 -14.715 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 130 -2.876 -15.020 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.331 -17.663 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.231 -17.813 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.932 -17.561 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.251 -15.961 3.080 1.00 0.00 H new ATOM 665 N ASP A 131 -0.058 -16.710 1.464 1.00 0.00 N ATOM 666 CA ASP A 131 1.344 -16.781 1.869 1.00 0.00 C ATOM 667 C ASP A 131 1.996 -15.400 1.866 1.00 0.00 C ATOM 668 O ASP A 131 2.683 -15.025 2.817 1.00 0.00 O ATOM 669 CB ASP A 131 2.115 -17.721 0.940 1.00 0.00 C ATOM 670 CG ASP A 131 1.502 -19.106 0.880 1.00 0.00 C ATOM 671 OD1 ASP A 131 0.259 -19.203 0.807 1.00 0.00 O ATOM 672 OD2 ASP A 131 2.265 -20.095 0.906 1.00 0.00 O ATOM 0 H ASP A 131 -0.334 -17.414 0.779 1.00 0.00 H new ATOM 0 HA ASP A 131 1.377 -17.170 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.142 -17.295 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.147 -17.798 1.281 1.00 0.00 H new ATOM 677 N ASP A 132 1.775 -14.647 0.794 1.00 0.00 N ATOM 678 CA ASP A 132 2.340 -13.308 0.671 1.00 0.00 C ATOM 679 C ASP A 132 1.753 -12.366 1.719 1.00 0.00 C ATOM 680 O ASP A 132 2.367 -11.361 2.078 1.00 0.00 O ATOM 681 CB ASP A 132 2.086 -12.751 -0.731 1.00 0.00 C ATOM 682 CG ASP A 132 2.973 -11.565 -1.051 1.00 0.00 C ATOM 683 OD1 ASP A 132 2.859 -10.532 -0.357 1.00 0.00 O ATOM 684 OD2 ASP A 132 3.783 -11.667 -1.997 1.00 0.00 O ATOM 0 H ASP A 132 1.209 -14.941 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 132 3.415 -13.380 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.255 -13.537 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.041 -12.453 -0.817 1.00 0.00 H new ATOM 689 N ILE A 133 0.561 -12.697 2.208 1.00 0.00 N ATOM 690 CA ILE A 133 -0.106 -11.881 3.215 1.00 0.00 C ATOM 691 C ILE A 133 0.690 -11.858 4.516 1.00 0.00 C ATOM 692 O ILE A 133 0.958 -10.794 5.074 1.00 0.00 O ATOM 693 CB ILE A 133 -1.527 -12.400 3.512 1.00 0.00 C ATOM 694 CG1 ILE A 133 -2.307 -12.616 2.211 1.00 0.00 C ATOM 695 CG2 ILE A 133 -2.264 -11.430 4.423 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.576 -11.341 1.444 1.00 0.00 C ATOM 0 H ILE A 133 0.038 -13.525 1.922 1.00 0.00 H new ATOM 0 HA ILE A 133 -0.172 -10.872 2.809 1.00 0.00 H new ATOM 0 HB ILE A 133 -1.444 -13.360 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -1.750 -13.302 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -3.257 -13.097 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.266 -11.809 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -1.720 -11.327 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -2.335 -10.457 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -3.132 -11.573 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -3.161 -10.660 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -1.630 -10.869 1.180 1.00 0.00 H new ATOM 708 N GLU A 134 1.058 -13.041 4.995 1.00 0.00 N ATOM 709 CA GLU A 134 1.818 -13.165 6.234 1.00 0.00 C ATOM 710 C GLU A 134 3.236 -12.623 6.073 1.00 0.00 C ATOM 711 O GLU A 134 3.869 -12.218 7.048 1.00 0.00 O ATOM 712 CB GLU A 134 1.866 -14.630 6.678 1.00 0.00 C ATOM 713 CG GLU A 134 1.442 -14.842 8.122 1.00 0.00 C ATOM 714 CD GLU A 134 1.674 -16.263 8.595 1.00 0.00 C ATOM 715 OE1 GLU A 134 0.950 -17.169 8.131 1.00 0.00 O ATOM 716 OE2 GLU A 134 2.579 -16.471 9.430 1.00 0.00 O ATOM 0 H GLU A 134 0.842 -13.930 4.543 1.00 0.00 H new ATOM 0 HA GLU A 134 1.314 -12.572 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.219 -15.219 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 134 2.880 -15.008 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.994 -14.155 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.385 -14.596 8.226 1.00 0.00 H new ATOM 723 N GLU A 135 3.733 -12.622 4.840 1.00 0.00 N ATOM 724 CA GLU A 135 5.080 -12.135 4.562 1.00 0.00 C ATOM 725 C GLU A 135 5.092 -10.622 4.366 1.00 0.00 C ATOM 726 O GLU A 135 5.926 -9.921 4.939 1.00 0.00 O ATOM 727 CB GLU A 135 5.646 -12.825 3.320 1.00 0.00 C ATOM 728 CG GLU A 135 7.163 -12.920 3.316 1.00 0.00 C ATOM 729 CD GLU A 135 7.677 -14.083 4.144 1.00 0.00 C ATOM 730 OE1 GLU A 135 7.774 -13.934 5.380 1.00 0.00 O ATOM 731 OE2 GLU A 135 7.981 -15.141 3.555 1.00 0.00 O ATOM 0 H GLU A 135 3.225 -12.952 4.019 1.00 0.00 H new ATOM 0 HA GLU A 135 5.706 -12.372 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.227 -13.829 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 135 5.322 -12.281 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.514 -13.026 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 135 7.583 -11.991 3.702 1.00 0.00 H new ATOM 738 N LEU A 136 4.169 -10.124 3.551 1.00 0.00 N ATOM 739 CA LEU A 136 4.085 -8.693 3.281 1.00 0.00 C ATOM 740 C LEU A 136 3.845 -7.905 4.566 1.00 0.00 C ATOM 741 O LEU A 136 4.493 -6.890 4.815 1.00 0.00 O ATOM 742 CB LEU A 136 2.969 -8.400 2.274 1.00 0.00 C ATOM 743 CG LEU A 136 2.760 -6.918 1.949 1.00 0.00 C ATOM 744 CD1 LEU A 136 4.098 -6.206 1.822 1.00 0.00 C ATOM 745 CD2 LEU A 136 1.948 -6.759 0.672 1.00 0.00 C ATOM 0 H LEU A 136 3.470 -10.688 3.067 1.00 0.00 H new ATOM 0 HA LEU A 136 5.038 -8.378 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.188 -8.932 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.035 -8.806 2.662 1.00 0.00 H new ATOM 0 HG LEU A 136 2.204 -6.463 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.930 -5.154 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.645 -6.288 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.680 -6.665 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.810 -5.699 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.477 -7.231 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.975 -7.233 0.798 1.00 0.00 H new ATOM 757 N MET A 137 2.906 -8.382 5.374 1.00 0.00 N ATOM 758 CA MET A 137 2.564 -7.731 6.639 1.00 0.00 C ATOM 759 C MET A 137 3.816 -7.315 7.410 1.00 0.00 C ATOM 760 O MET A 137 3.813 -6.308 8.117 1.00 0.00 O ATOM 761 CB MET A 137 1.712 -8.665 7.500 1.00 0.00 C ATOM 762 CG MET A 137 1.032 -7.968 8.666 1.00 0.00 C ATOM 763 SD MET A 137 2.055 -7.940 10.151 1.00 0.00 S ATOM 764 CE MET A 137 1.359 -6.535 11.016 1.00 0.00 C ATOM 0 H MET A 137 2.363 -9.223 5.177 1.00 0.00 H new ATOM 0 HA MET A 137 1.994 -6.831 6.406 1.00 0.00 H new ATOM 0 HB2 MET A 137 0.952 -9.131 6.873 1.00 0.00 H new ATOM 0 HB3 MET A 137 2.343 -9.467 7.885 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.786 -6.945 8.380 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.091 -8.472 8.887 1.00 0.00 H new ATOM 0 HE1 MET A 137 1.933 -6.345 11.923 1.00 0.00 H new ATOM 0 HE2 MET A 137 1.396 -5.656 10.372 1.00 0.00 H new ATOM 0 HE3 MET A 137 0.323 -6.747 11.280 1.00 0.00 H new ATOM 774 N LYS A 138 4.883 -8.096 7.269 1.00 0.00 N ATOM 775 CA LYS A 138 6.137 -7.803 7.954 1.00 0.00 C ATOM 776 C LYS A 138 6.668 -6.429 7.554 1.00 0.00 C ATOM 777 O LYS A 138 7.326 -5.752 8.345 1.00 0.00 O ATOM 778 CB LYS A 138 7.179 -8.877 7.637 1.00 0.00 C ATOM 779 CG LYS A 138 8.102 -9.192 8.804 1.00 0.00 C ATOM 780 CD LYS A 138 7.720 -10.499 9.484 1.00 0.00 C ATOM 781 CE LYS A 138 8.789 -11.562 9.291 1.00 0.00 C ATOM 782 NZ LYS A 138 8.483 -12.802 10.057 1.00 0.00 N ATOM 0 H LYS A 138 4.904 -8.934 6.688 1.00 0.00 H new ATOM 0 HA LYS A 138 5.943 -7.800 9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 138 6.667 -9.790 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 138 7.779 -8.550 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.131 -9.253 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 138 8.063 -8.379 9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 138 7.567 -10.325 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 138 6.773 -10.857 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 138 8.875 -11.802 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.754 -11.168 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 9.236 -13.502 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 8.426 -12.578 11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.574 -13.193 9.737 1.00 0.00 H new ATOM 796 N ASP A 139 6.378 -6.025 6.322 1.00 0.00 N ATOM 797 CA ASP A 139 6.825 -4.733 5.814 1.00 0.00 C ATOM 798 C ASP A 139 5.992 -3.597 6.401 1.00 0.00 C ATOM 799 O ASP A 139 6.534 -2.596 6.869 1.00 0.00 O ATOM 800 CB ASP A 139 6.739 -4.706 4.287 1.00 0.00 C ATOM 801 CG ASP A 139 8.029 -5.152 3.627 1.00 0.00 C ATOM 802 OD1 ASP A 139 9.111 -4.801 4.142 1.00 0.00 O ATOM 803 OD2 ASP A 139 7.956 -5.853 2.595 1.00 0.00 O ATOM 0 H ASP A 139 5.835 -6.574 5.656 1.00 0.00 H new ATOM 0 HA ASP A 139 7.862 -4.592 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 139 5.925 -5.353 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 139 6.496 -3.696 3.957 1.00 0.00 H new ATOM 808 N GLY A 140 4.672 -3.759 6.373 1.00 0.00 N ATOM 809 CA GLY A 140 3.788 -2.737 6.907 1.00 0.00 C ATOM 810 C GLY A 140 4.099 -2.399 8.351 1.00 0.00 C ATOM 811 O GLY A 140 4.459 -1.265 8.667 1.00 0.00 O ATOM 0 H GLY A 140 4.199 -4.578 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.871 -1.836 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.756 -3.078 6.831 1.00 0.00 H new ATOM 815 N ASP A 141 3.958 -3.385 9.229 1.00 0.00 N ATOM 816 CA ASP A 141 4.224 -3.186 10.648 1.00 0.00 C ATOM 817 C ASP A 141 5.680 -3.500 10.978 1.00 0.00 C ATOM 818 O ASP A 141 6.089 -4.662 10.988 1.00 0.00 O ATOM 819 CB ASP A 141 3.293 -4.063 11.487 1.00 0.00 C ATOM 820 CG ASP A 141 3.503 -3.873 12.977 1.00 0.00 C ATOM 821 OD1 ASP A 141 3.766 -2.726 13.397 1.00 0.00 O ATOM 822 OD2 ASP A 141 3.406 -4.870 13.722 1.00 0.00 O ATOM 0 H ASP A 141 3.661 -4.329 8.983 1.00 0.00 H new ATOM 0 HA ASP A 141 4.037 -2.139 10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 141 2.258 -3.831 11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 141 3.456 -5.110 11.231 1.00 0.00 H new ATOM 827 N LYS A 142 6.459 -2.456 11.245 1.00 0.00 N ATOM 828 CA LYS A 142 7.871 -2.619 11.574 1.00 0.00 C ATOM 829 C LYS A 142 8.208 -1.922 12.888 1.00 0.00 C ATOM 830 O LYS A 142 9.315 -1.414 13.068 1.00 0.00 O ATOM 831 CB LYS A 142 8.744 -2.057 10.452 1.00 0.00 C ATOM 832 CG LYS A 142 8.477 -2.691 9.096 1.00 0.00 C ATOM 833 CD LYS A 142 9.768 -3.116 8.413 1.00 0.00 C ATOM 834 CE LYS A 142 10.232 -2.079 7.404 1.00 0.00 C ATOM 835 NZ LYS A 142 10.931 -2.703 6.247 1.00 0.00 N ATOM 0 H LYS A 142 6.136 -1.488 11.240 1.00 0.00 H new ATOM 0 HA LYS A 142 8.071 -3.685 11.685 1.00 0.00 H new ATOM 0 HB2 LYS A 142 8.580 -0.982 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.793 -2.203 10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.828 -3.558 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 142 7.945 -1.983 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.544 -3.268 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.618 -4.072 7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.373 -1.511 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 142 10.901 -1.371 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.231 -1.962 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.765 -3.224 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.285 -3.360 5.764 1.00 0.00 H new ATOM 849 N ASN A 143 7.246 -1.903 13.804 1.00 0.00 N ATOM 850 CA ASN A 143 7.439 -1.270 15.104 1.00 0.00 C ATOM 851 C ASN A 143 7.402 -2.300 16.233 1.00 0.00 C ATOM 852 O ASN A 143 7.445 -1.942 17.410 1.00 0.00 O ATOM 853 CB ASN A 143 6.366 -0.204 15.337 1.00 0.00 C ATOM 854 CG ASN A 143 6.854 1.190 14.994 1.00 0.00 C ATOM 855 OD1 ASN A 143 8.056 1.435 14.903 1.00 0.00 O ATOM 856 ND2 ASN A 143 5.918 2.113 14.801 1.00 0.00 N ATOM 0 H ASN A 143 6.324 -2.319 13.670 1.00 0.00 H new ATOM 0 HA ASN A 143 8.422 -0.799 15.104 1.00 0.00 H new ATOM 0 HB2 ASN A 143 5.488 -0.438 14.734 1.00 0.00 H new ATOM 0 HB3 ASN A 143 6.052 -0.230 16.381 1.00 0.00 H new ATOM 0 HD21 ASN A 143 6.185 3.069 14.567 1.00 0.00 H new ATOM 0 HD22 ASN A 143 4.932 1.865 14.887 1.00 0.00 H new ATOM 863 N ASN A 144 7.325 -3.579 15.871 1.00 0.00 N ATOM 864 CA ASN A 144 7.285 -4.649 16.860 1.00 0.00 C ATOM 865 C ASN A 144 6.072 -4.503 17.773 1.00 0.00 C ATOM 866 O ASN A 144 6.150 -4.765 18.973 1.00 0.00 O ATOM 867 CB ASN A 144 8.569 -4.645 17.691 1.00 0.00 C ATOM 868 CG ASN A 144 8.928 -6.024 18.208 1.00 0.00 C ATOM 869 OD1 ASN A 144 9.136 -6.216 19.406 1.00 0.00 O ATOM 870 ND2 ASN A 144 9.002 -6.995 17.304 1.00 0.00 N ATOM 0 H ASN A 144 7.289 -3.897 14.902 1.00 0.00 H new ATOM 0 HA ASN A 144 7.203 -5.599 16.331 1.00 0.00 H new ATOM 0 HB2 ASN A 144 9.390 -4.263 17.084 1.00 0.00 H new ATOM 0 HB3 ASN A 144 8.451 -3.964 18.534 1.00 0.00 H new ATOM 0 HD21 ASN A 144 9.239 -7.944 17.593 1.00 0.00 H new ATOM 0 HD22 ASN A 144 8.822 -6.791 16.321 1.00 0.00 H new ATOM 877 N ASP A 145 4.950 -4.085 17.195 1.00 0.00 N ATOM 878 CA ASP A 145 3.719 -3.907 17.955 1.00 0.00 C ATOM 879 C ASP A 145 2.645 -4.881 17.482 1.00 0.00 C ATOM 880 O ASP A 145 1.897 -5.436 18.288 1.00 0.00 O ATOM 881 CB ASP A 145 3.215 -2.468 17.820 1.00 0.00 C ATOM 882 CG ASP A 145 2.948 -2.082 16.379 1.00 0.00 C ATOM 883 OD1 ASP A 145 3.902 -1.665 15.690 1.00 0.00 O ATOM 884 OD2 ASP A 145 1.784 -2.197 15.939 1.00 0.00 O ATOM 0 H ASP A 145 4.869 -3.863 16.203 1.00 0.00 H new ATOM 0 HA ASP A 145 3.934 -4.111 19.004 1.00 0.00 H new ATOM 0 HB2 ASP A 145 2.300 -2.351 18.400 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.952 -1.786 18.245 1.00 0.00 H new ATOM 889 N GLY A 146 2.576 -5.085 16.171 1.00 0.00 N ATOM 890 CA GLY A 146 1.593 -5.994 15.612 1.00 0.00 C ATOM 891 C GLY A 146 0.497 -5.276 14.849 1.00 0.00 C ATOM 892 O GLY A 146 -0.586 -5.824 14.645 1.00 0.00 O ATOM 0 H GLY A 146 3.184 -4.637 15.485 1.00 0.00 H new ATOM 0 HA2 GLY A 146 2.093 -6.697 14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 146 1.147 -6.579 16.416 1.00 0.00 H new ATOM 896 N ARG A 147 0.775 -4.047 14.424 1.00 0.00 N ATOM 897 CA ARG A 147 -0.200 -3.260 13.679 1.00 0.00 C ATOM 898 C ARG A 147 0.477 -2.117 12.926 1.00 0.00 C ATOM 899 O ARG A 147 1.460 -1.545 13.396 1.00 0.00 O ATOM 900 CB ARG A 147 -1.268 -2.705 14.625 1.00 0.00 C ATOM 901 CG ARG A 147 -2.613 -3.402 14.497 1.00 0.00 C ATOM 902 CD ARG A 147 -3.301 -3.539 15.846 1.00 0.00 C ATOM 903 NE ARG A 147 -4.752 -3.414 15.735 1.00 0.00 N ATOM 904 CZ ARG A 147 -5.606 -3.837 16.665 1.00 0.00 C ATOM 905 NH1 ARG A 147 -5.159 -4.412 17.774 1.00 0.00 N ATOM 906 NH2 ARG A 147 -6.911 -3.685 16.484 1.00 0.00 N ATOM 0 H ARG A 147 1.666 -3.576 14.583 1.00 0.00 H new ATOM 0 HA ARG A 147 -0.676 -3.915 12.949 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.916 -2.798 15.652 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.399 -1.641 14.428 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -3.252 -2.839 13.817 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -2.472 -4.389 14.058 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -3.053 -4.506 16.283 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.922 -2.775 16.525 1.00 0.00 H new ATOM 0 HE ARG A 147 -5.133 -2.977 14.896 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -4.156 -4.532 17.918 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -5.818 -4.734 18.483 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -7.260 -3.244 15.633 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -7.566 -4.009 17.196 1.00 0.00 H new ATOM 920 N ILE A 148 -0.060 -1.791 11.755 1.00 0.00 N ATOM 921 CA ILE A 148 0.483 -0.718 10.932 1.00 0.00 C ATOM 922 C ILE A 148 -0.532 0.413 10.789 1.00 0.00 C ATOM 923 O ILE A 148 -1.707 0.167 10.526 1.00 0.00 O ATOM 924 CB ILE A 148 0.894 -1.245 9.539 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.890 -0.295 8.872 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.318 -1.467 8.649 1.00 0.00 C ATOM 927 CD1 ILE A 148 1.276 1.003 8.400 1.00 0.00 C ATOM 0 H ILE A 148 -0.874 -2.257 11.354 1.00 0.00 H new ATOM 0 HA ILE A 148 1.373 -0.330 11.428 1.00 0.00 H new ATOM 0 HB ILE A 148 1.381 -2.210 9.681 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.691 -0.072 9.576 1.00 0.00 H new ATOM 0 HG13 ILE A 148 2.345 -0.801 8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.007 -1.838 7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -0.981 -2.198 9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.851 -0.525 8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 148 2.045 1.623 7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.494 0.792 7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.846 1.532 9.250 1.00 0.00 H new ATOM 939 N ASP A 149 -0.079 1.651 10.980 1.00 0.00 N ATOM 940 CA ASP A 149 -0.968 2.807 10.892 1.00 0.00 C ATOM 941 C ASP A 149 -0.593 3.732 9.737 1.00 0.00 C ATOM 942 O ASP A 149 0.391 3.510 9.035 1.00 0.00 O ATOM 943 CB ASP A 149 -0.943 3.587 12.208 1.00 0.00 C ATOM 944 CG ASP A 149 0.418 4.193 12.496 1.00 0.00 C ATOM 945 OD1 ASP A 149 1.430 3.475 12.351 1.00 0.00 O ATOM 946 OD2 ASP A 149 0.471 5.384 12.865 1.00 0.00 O ATOM 0 H ASP A 149 0.892 1.878 11.195 1.00 0.00 H new ATOM 0 HA ASP A 149 -1.974 2.432 10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -1.690 4.380 12.171 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -1.222 2.923 13.026 1.00 0.00 H new ATOM 951 N TYR A 150 -1.401 4.774 9.552 1.00 0.00 N ATOM 952 CA TYR A 150 -1.187 5.755 8.488 1.00 0.00 C ATOM 953 C TYR A 150 0.285 6.147 8.363 1.00 0.00 C ATOM 954 O TYR A 150 0.782 6.376 7.261 1.00 0.00 O ATOM 955 CB TYR A 150 -2.037 7.002 8.751 1.00 0.00 C ATOM 956 CG TYR A 150 -1.918 8.072 7.685 1.00 0.00 C ATOM 957 CD1 TYR A 150 -1.488 7.764 6.399 1.00 0.00 C ATOM 958 CD2 TYR A 150 -2.240 9.394 7.967 1.00 0.00 C ATOM 959 CE1 TYR A 150 -1.382 8.741 5.427 1.00 0.00 C ATOM 960 CE2 TYR A 150 -2.136 10.377 7.000 1.00 0.00 C ATOM 961 CZ TYR A 150 -1.707 10.045 5.733 1.00 0.00 C ATOM 962 OH TYR A 150 -1.603 11.020 4.767 1.00 0.00 O ATOM 0 H TYR A 150 -2.219 4.962 10.132 1.00 0.00 H new ATOM 0 HA TYR A 150 -1.489 5.295 7.547 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -3.082 6.704 8.836 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -1.748 7.429 9.712 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -1.232 6.743 6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -2.577 9.658 8.958 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -1.046 8.484 4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -2.390 11.400 7.236 1.00 0.00 H new ATOM 0 HH TYR A 150 -0.906 10.771 4.125 1.00 0.00 H new ATOM 972 N ASP A 151 0.976 6.225 9.495 1.00 0.00 N ATOM 973 CA ASP A 151 2.388 6.591 9.501 1.00 0.00 C ATOM 974 C ASP A 151 3.220 5.556 8.751 1.00 0.00 C ATOM 975 O ASP A 151 3.708 5.818 7.651 1.00 0.00 O ATOM 976 CB ASP A 151 2.897 6.731 10.937 1.00 0.00 C ATOM 977 CG ASP A 151 2.760 8.146 11.463 1.00 0.00 C ATOM 978 OD1 ASP A 151 1.852 8.867 10.998 1.00 0.00 O ATOM 979 OD2 ASP A 151 3.560 8.533 12.340 1.00 0.00 O ATOM 0 H ASP A 151 0.583 6.040 10.418 1.00 0.00 H new ATOM 0 HA ASP A 151 2.491 7.550 8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 151 2.343 6.051 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 151 3.944 6.430 10.980 1.00 0.00 H new ATOM 984 N GLU A 152 3.376 4.379 9.349 1.00 0.00 N ATOM 985 CA GLU A 152 4.147 3.306 8.730 1.00 0.00 C ATOM 986 C GLU A 152 3.615 2.988 7.334 1.00 0.00 C ATOM 987 O GLU A 152 4.341 2.472 6.485 1.00 0.00 O ATOM 988 CB GLU A 152 4.110 2.050 9.604 1.00 0.00 C ATOM 989 CG GLU A 152 5.305 1.921 10.534 1.00 0.00 C ATOM 990 CD GLU A 152 5.147 0.795 11.538 1.00 0.00 C ATOM 991 OE1 GLU A 152 4.169 0.025 11.420 1.00 0.00 O ATOM 992 OE2 GLU A 152 6.001 0.681 12.441 1.00 0.00 O ATOM 0 H GLU A 152 2.980 4.144 10.259 1.00 0.00 H new ATOM 0 HA GLU A 152 5.180 3.642 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 152 3.197 2.058 10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 152 4.064 1.171 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 152 6.204 1.751 9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 152 5.448 2.861 11.068 1.00 0.00 H new ATOM 999 N PHE A 153 2.343 3.306 7.103 1.00 0.00 N ATOM 1000 CA PHE A 153 1.715 3.060 5.811 1.00 0.00 C ATOM 1001 C PHE A 153 2.456 3.801 4.703 1.00 0.00 C ATOM 1002 O PHE A 153 2.657 3.270 3.612 1.00 0.00 O ATOM 1003 CB PHE A 153 0.242 3.492 5.848 1.00 0.00 C ATOM 1004 CG PHE A 153 -0.399 3.608 4.491 1.00 0.00 C ATOM 1005 CD1 PHE A 153 -0.022 2.768 3.457 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -1.378 4.559 4.252 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -0.607 2.873 2.212 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -1.968 4.668 3.007 1.00 0.00 C ATOM 1009 CZ PHE A 153 -1.581 3.824 1.986 1.00 0.00 C ATOM 0 H PHE A 153 1.729 3.735 7.795 1.00 0.00 H new ATOM 0 HA PHE A 153 1.764 1.992 5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.321 2.774 6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.169 4.454 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 153 0.739 2.021 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -1.683 5.222 5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -0.303 2.211 1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.731 5.413 2.833 1.00 0.00 H new ATOM 0 HZ PHE A 153 -2.040 3.908 1.012 1.00 0.00 H new ATOM 1019 N LEU A 154 2.858 5.032 4.989 1.00 0.00 N ATOM 1020 CA LEU A 154 3.573 5.844 4.015 1.00 0.00 C ATOM 1021 C LEU A 154 4.910 5.208 3.640 1.00 0.00 C ATOM 1022 O LEU A 154 5.501 5.551 2.616 1.00 0.00 O ATOM 1023 CB LEU A 154 3.779 7.257 4.563 1.00 0.00 C ATOM 1024 CG LEU A 154 2.552 7.876 5.245 1.00 0.00 C ATOM 1025 CD1 LEU A 154 2.748 9.373 5.430 1.00 0.00 C ATOM 1026 CD2 LEU A 154 1.277 7.597 4.450 1.00 0.00 C ATOM 0 H LEU A 154 2.701 5.490 5.887 1.00 0.00 H new ATOM 0 HA LEU A 154 2.971 5.902 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.601 7.236 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 154 4.086 7.907 3.743 1.00 0.00 H new ATOM 0 HG LEU A 154 2.442 7.413 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.869 9.798 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 154 3.626 9.551 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 154 2.889 9.844 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.425 8.048 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.371 8.023 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.125 6.520 4.373 1.00 0.00 H new ATOM 1038 N GLU A 155 5.375 4.270 4.461 1.00 0.00 N ATOM 1039 CA GLU A 155 6.632 3.581 4.193 1.00 0.00 C ATOM 1040 C GLU A 155 6.479 2.641 2.999 1.00 0.00 C ATOM 1041 O GLU A 155 7.451 2.332 2.309 1.00 0.00 O ATOM 1042 CB GLU A 155 7.082 2.794 5.425 1.00 0.00 C ATOM 1043 CG GLU A 155 7.147 3.630 6.693 1.00 0.00 C ATOM 1044 CD GLU A 155 7.409 2.793 7.930 1.00 0.00 C ATOM 1045 OE1 GLU A 155 7.129 1.577 7.894 1.00 0.00 O ATOM 1046 OE2 GLU A 155 7.895 3.355 8.934 1.00 0.00 O ATOM 0 H GLU A 155 4.902 3.971 5.314 1.00 0.00 H new ATOM 0 HA GLU A 155 7.390 4.328 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.397 1.961 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 155 8.065 2.365 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 155 7.934 4.377 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 155 6.208 4.170 6.816 1.00 0.00 H new ATOM 1053 N PHE A 156 5.247 2.195 2.761 1.00 0.00 N ATOM 1054 CA PHE A 156 4.948 1.294 1.652 1.00 0.00 C ATOM 1055 C PHE A 156 5.392 1.899 0.323 1.00 0.00 C ATOM 1056 O PHE A 156 6.218 1.327 -0.389 1.00 0.00 O ATOM 1057 CB PHE A 156 3.446 1.002 1.611 1.00 0.00 C ATOM 1058 CG PHE A 156 3.108 -0.461 1.617 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.222 -1.207 2.778 1.00 0.00 C ATOM 1060 CD2 PHE A 156 2.666 -1.085 0.462 1.00 0.00 C ATOM 1061 CE1 PHE A 156 2.902 -2.551 2.788 1.00 0.00 C ATOM 1062 CE2 PHE A 156 2.346 -2.429 0.465 1.00 0.00 C ATOM 1063 CZ PHE A 156 2.464 -3.163 1.629 1.00 0.00 C ATOM 0 H PHE A 156 4.436 2.446 3.326 1.00 0.00 H new ATOM 0 HA PHE A 156 5.496 0.365 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.970 1.478 2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 156 3.022 1.459 0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.565 -0.733 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.571 -0.515 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 156 2.994 -3.122 3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 156 2.004 -2.905 -0.442 1.00 0.00 H new ATOM 0 HZ PHE A 156 2.214 -4.214 1.633 1.00 0.00 H new ATOM 1073 N MET A 157 4.834 3.060 0.000 1.00 0.00 N ATOM 1074 CA MET A 157 5.163 3.754 -1.244 1.00 0.00 C ATOM 1075 C MET A 157 6.619 4.193 -1.243 1.00 0.00 C ATOM 1076 O MET A 157 7.259 4.264 -2.290 1.00 0.00 O ATOM 1077 CB MET A 157 4.264 4.978 -1.443 1.00 0.00 C ATOM 1078 CG MET A 157 2.836 4.785 -0.962 1.00 0.00 C ATOM 1079 SD MET A 157 1.638 4.769 -2.310 1.00 0.00 S ATOM 1080 CE MET A 157 1.395 6.523 -2.572 1.00 0.00 C ATOM 0 H MET A 157 4.150 3.543 0.582 1.00 0.00 H new ATOM 0 HA MET A 157 4.998 3.056 -2.065 1.00 0.00 H new ATOM 0 HB2 MET A 157 4.702 5.826 -0.916 1.00 0.00 H new ATOM 0 HB3 MET A 157 4.247 5.235 -2.502 1.00 0.00 H new ATOM 0 HG2 MET A 157 2.767 3.847 -0.410 1.00 0.00 H new ATOM 0 HG3 MET A 157 2.581 5.584 -0.266 1.00 0.00 H new ATOM 0 HE1 MET A 157 0.456 6.833 -2.114 1.00 0.00 H new ATOM 0 HE2 MET A 157 2.218 7.076 -2.120 1.00 0.00 H new ATOM 0 HE3 MET A 157 1.363 6.730 -3.642 1.00 0.00 H new ATOM 1090 N LYS A 158 7.130 4.493 -0.055 1.00 0.00 N ATOM 1091 CA LYS A 158 8.516 4.934 0.101 1.00 0.00 C ATOM 1092 C LYS A 158 9.470 4.068 -0.720 1.00 0.00 C ATOM 1093 O LYS A 158 10.512 4.538 -1.178 1.00 0.00 O ATOM 1094 CB LYS A 158 8.918 4.901 1.578 1.00 0.00 C ATOM 1095 CG LYS A 158 9.225 6.274 2.155 1.00 0.00 C ATOM 1096 CD LYS A 158 10.459 6.244 3.042 1.00 0.00 C ATOM 1097 CE LYS A 158 11.692 6.735 2.299 1.00 0.00 C ATOM 1098 NZ LYS A 158 12.545 7.607 3.153 1.00 0.00 N ATOM 0 H LYS A 158 6.606 4.440 0.818 1.00 0.00 H new ATOM 0 HA LYS A 158 8.586 5.957 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.113 4.445 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 158 9.794 4.263 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.377 6.985 1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 158 8.370 6.627 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.291 6.866 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.628 5.228 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 158 12.275 5.879 1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 158 11.385 7.286 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 13.375 7.920 2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 11.997 8.437 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 12.860 7.074 3.988 1.00 0.00 H new ATOM 1112 N GLY A 159 9.107 2.802 -0.904 1.00 0.00 N ATOM 1113 CA GLY A 159 9.940 1.895 -1.671 1.00 0.00 C ATOM 1114 C GLY A 159 9.748 2.056 -3.167 1.00 0.00 C ATOM 1115 O GLY A 159 10.657 1.780 -3.950 1.00 0.00 O ATOM 0 H GLY A 159 8.251 2.389 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 159 10.987 2.069 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 159 9.711 0.868 -1.387 1.00 0.00 H new ATOM 1119 N VAL A 160 8.562 2.505 -3.563 1.00 0.00 N ATOM 1120 CA VAL A 160 8.248 2.706 -4.970 1.00 0.00 C ATOM 1121 C VAL A 160 9.171 3.748 -5.596 1.00 0.00 C ATOM 1122 O VAL A 160 9.425 3.722 -6.800 1.00 0.00 O ATOM 1123 CB VAL A 160 6.785 3.155 -5.155 1.00 0.00 C ATOM 1124 CG1 VAL A 160 6.432 3.232 -6.630 1.00 0.00 C ATOM 1125 CG2 VAL A 160 5.836 2.215 -4.426 1.00 0.00 C ATOM 0 H VAL A 160 7.800 2.737 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 160 8.395 1.749 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 160 6.677 4.150 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 160 5.395 3.551 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 160 7.087 3.950 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.560 2.251 -7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 160 4.809 2.551 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.947 1.206 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.071 2.214 -3.362 1.00 0.00 H new ATOM 1135 N GLU A 161 9.669 4.665 -4.772 1.00 0.00 N ATOM 1136 CA GLU A 161 10.562 5.715 -5.247 1.00 0.00 C ATOM 1137 C GLU A 161 11.817 5.120 -5.878 1.00 0.00 C ATOM 1138 O GLU A 161 12.754 4.781 -5.124 1.00 0.00 O ATOM 1139 CB GLU A 161 10.948 6.645 -4.095 1.00 0.00 C ATOM 1140 CG GLU A 161 11.146 8.091 -4.520 1.00 0.00 C ATOM 1141 CD GLU A 161 12.306 8.755 -3.804 1.00 0.00 C ATOM 1142 OE1 GLU A 161 12.230 8.910 -2.567 1.00 0.00 O ATOM 1143 OE2 GLU A 161 13.290 9.121 -4.481 1.00 0.00 O ATOM 1144 OXT GLU A 161 11.853 4.998 -7.120 1.00 0.00 O ATOM 0 H GLU A 161 9.469 4.702 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 161 10.033 6.289 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 161 10.173 6.603 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 161 11.868 6.280 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 161 11.318 8.130 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 161 10.233 8.652 -4.323 1.00 0.00 H new ATOM 1226 N PHE B 132 5.522 -6.271 -5.673 1.00 0.00 N ATOM 1227 CA PHE B 132 5.522 -6.800 -7.027 1.00 0.00 C ATOM 1228 C PHE B 132 4.514 -6.065 -7.914 1.00 0.00 C ATOM 1229 O PHE B 132 4.829 -5.018 -8.480 1.00 0.00 O ATOM 1230 CB PHE B 132 5.235 -8.308 -7.009 1.00 0.00 C ATOM 1231 CG PHE B 132 4.411 -8.771 -5.832 1.00 0.00 C ATOM 1232 CD1 PHE B 132 4.930 -8.745 -4.546 1.00 0.00 C ATOM 1233 CD2 PHE B 132 3.117 -9.232 -6.015 1.00 0.00 C ATOM 1234 CE1 PHE B 132 4.175 -9.168 -3.469 1.00 0.00 C ATOM 1235 CE2 PHE B 132 2.358 -9.656 -4.942 1.00 0.00 C ATOM 1236 CZ PHE B 132 2.887 -9.624 -3.668 1.00 0.00 C ATOM 0 HA PHE B 132 6.512 -6.638 -7.453 1.00 0.00 H new ATOM 0 HB2 PHE B 132 4.716 -8.578 -7.929 1.00 0.00 H new ATOM 0 HB3 PHE B 132 6.183 -8.846 -7.008 1.00 0.00 H new ATOM 0 HD1 PHE B 132 5.937 -8.390 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE B 132 2.697 -9.260 -7.009 1.00 0.00 H new ATOM 0 HE1 PHE B 132 4.592 -9.142 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE B 132 1.351 -10.012 -5.100 1.00 0.00 H new ATOM 0 HZ PHE B 132 2.295 -9.955 -2.828 1.00 0.00 H new ATOM 1246 N ASP B 133 3.301 -6.606 -8.031 1.00 0.00 N ATOM 1247 CA ASP B 133 2.262 -5.985 -8.845 1.00 0.00 C ATOM 1248 C ASP B 133 1.502 -4.944 -8.032 1.00 0.00 C ATOM 1249 O ASP B 133 0.271 -4.928 -8.008 1.00 0.00 O ATOM 1250 CB ASP B 133 1.296 -7.047 -9.375 1.00 0.00 C ATOM 1251 CG ASP B 133 1.745 -7.626 -10.702 1.00 0.00 C ATOM 1252 OD1 ASP B 133 2.913 -8.061 -10.795 1.00 0.00 O ATOM 1253 OD2 ASP B 133 0.931 -7.644 -11.648 1.00 0.00 O ATOM 0 H ASP B 133 3.016 -7.471 -7.572 1.00 0.00 H new ATOM 0 HA ASP B 133 2.737 -5.489 -9.692 1.00 0.00 H new ATOM 0 HB2 ASP B 133 1.206 -7.850 -8.643 1.00 0.00 H new ATOM 0 HB3 ASP B 133 0.305 -6.608 -9.490 1.00 0.00 H new ATOM 1258 N LEU B 134 2.254 -4.081 -7.361 1.00 0.00 N ATOM 1259 CA LEU B 134 1.679 -3.033 -6.533 1.00 0.00 C ATOM 1260 C LEU B 134 2.573 -1.803 -6.550 1.00 0.00 C ATOM 1261 O LEU B 134 2.132 -0.699 -6.870 1.00 0.00 O ATOM 1262 CB LEU B 134 1.520 -3.532 -5.097 1.00 0.00 C ATOM 1263 CG LEU B 134 0.985 -4.959 -4.957 1.00 0.00 C ATOM 1264 CD1 LEU B 134 2.129 -5.963 -4.974 1.00 0.00 C ATOM 1265 CD2 LEU B 134 0.170 -5.100 -3.681 1.00 0.00 C ATOM 0 H LEU B 134 3.274 -4.089 -7.376 1.00 0.00 H new ATOM 0 HA LEU B 134 0.700 -2.768 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU B 134 2.488 -3.474 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU B 134 0.849 -2.856 -4.567 1.00 0.00 H new ATOM 0 HG LEU B 134 0.334 -5.167 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU B 134 1.729 -6.972 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU B 134 2.672 -5.880 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU B 134 2.806 -5.757 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -0.202 -6.121 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU B 134 0.799 -4.872 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -0.672 -4.408 -3.709 1.00 0.00 H new ATOM 1277 N ARG B 135 3.837 -2.013 -6.204 1.00 0.00 N ATOM 1278 CA ARG B 135 4.819 -0.935 -6.174 1.00 0.00 C ATOM 1279 C ARG B 135 4.922 -0.257 -7.534 1.00 0.00 C ATOM 1280 O ARG B 135 5.035 0.966 -7.621 1.00 0.00 O ATOM 1281 CB ARG B 135 6.188 -1.484 -5.767 1.00 0.00 C ATOM 1282 CG ARG B 135 7.299 -0.448 -5.800 1.00 0.00 C ATOM 1283 CD ARG B 135 8.670 -1.101 -5.730 1.00 0.00 C ATOM 1284 NE ARG B 135 9.146 -1.516 -7.048 1.00 0.00 N ATOM 1285 CZ ARG B 135 10.121 -2.401 -7.240 1.00 0.00 C ATOM 1286 NH1 ARG B 135 10.725 -2.969 -6.203 1.00 0.00 N ATOM 1287 NH2 ARG B 135 10.493 -2.721 -8.472 1.00 0.00 N ATOM 0 H ARG B 135 4.208 -2.925 -5.939 1.00 0.00 H new ATOM 0 HA ARG B 135 4.492 -0.197 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG B 135 6.119 -1.897 -4.761 1.00 0.00 H new ATOM 0 HB3 ARG B 135 6.451 -2.307 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG B 135 7.222 0.141 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG B 135 7.180 0.242 -4.964 1.00 0.00 H new ATOM 0 HD2 ARG B 135 9.382 -0.403 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG B 135 8.626 -1.968 -5.071 1.00 0.00 H new ATOM 0 HE ARG B 135 8.705 -1.103 -7.869 1.00 0.00 H new ATOM 0 HH11 ARG B 135 10.442 -2.728 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG B 135 11.472 -3.647 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG B 135 10.032 -2.289 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG B 135 11.240 -3.399 -8.619 1.00 0.00 H new ATOM 1301 N GLY B 136 4.885 -1.057 -8.594 1.00 0.00 N ATOM 1302 CA GLY B 136 4.978 -0.508 -9.932 1.00 0.00 C ATOM 1303 C GLY B 136 3.644 -0.012 -10.459 1.00 0.00 C ATOM 1304 O GLY B 136 3.491 0.230 -11.656 1.00 0.00 O ATOM 0 H GLY B 136 4.793 -2.072 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY B 136 5.692 0.315 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY B 136 5.369 -1.270 -10.606 1.00 0.00 H new ATOM 1308 N LYS B 137 2.681 0.141 -9.560 1.00 0.00 N ATOM 1309 CA LYS B 137 1.351 0.614 -9.923 1.00 0.00 C ATOM 1310 C LYS B 137 0.915 1.749 -8.999 1.00 0.00 C ATOM 1311 O LYS B 137 0.202 2.663 -9.414 1.00 0.00 O ATOM 1312 CB LYS B 137 0.339 -0.532 -9.854 1.00 0.00 C ATOM 1313 CG LYS B 137 0.837 -1.828 -10.477 1.00 0.00 C ATOM 1314 CD LYS B 137 0.361 -1.975 -11.913 1.00 0.00 C ATOM 1315 CE LYS B 137 1.196 -2.991 -12.675 1.00 0.00 C ATOM 1316 NZ LYS B 137 0.619 -3.292 -14.014 1.00 0.00 N ATOM 0 H LYS B 137 2.797 -0.057 -8.566 1.00 0.00 H new ATOM 0 HA LYS B 137 1.390 0.989 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS B 137 0.083 -0.716 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS B 137 -0.578 -0.226 -10.358 1.00 0.00 H new ATOM 0 HG2 LYS B 137 1.926 -1.851 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS B 137 0.485 -2.675 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS B 137 -0.685 -2.282 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS B 137 0.413 -1.009 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS B 137 2.211 -2.611 -12.794 1.00 0.00 H new ATOM 0 HE3 LYS B 137 1.266 -3.911 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 1.218 -3.989 -14.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -0.340 -3.679 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 0.575 -2.419 -14.577 1.00 0.00 H new ATOM 1330 N PHE B 138 1.355 1.682 -7.744 1.00 0.00 N ATOM 1331 CA PHE B 138 1.022 2.697 -6.749 1.00 0.00 C ATOM 1332 C PHE B 138 1.292 4.104 -7.282 1.00 0.00 C ATOM 1333 O PHE B 138 0.658 5.070 -6.858 1.00 0.00 O ATOM 1334 CB PHE B 138 1.830 2.458 -5.471 1.00 0.00 C ATOM 1335 CG PHE B 138 1.074 1.713 -4.409 1.00 0.00 C ATOM 1336 CD1 PHE B 138 0.086 2.345 -3.670 1.00 0.00 C ATOM 1337 CD2 PHE B 138 1.353 0.382 -4.148 1.00 0.00 C ATOM 1338 CE1 PHE B 138 -0.610 1.661 -2.691 1.00 0.00 C ATOM 1339 CE2 PHE B 138 0.661 -0.307 -3.169 1.00 0.00 C ATOM 1340 CZ PHE B 138 -0.322 0.334 -2.440 1.00 0.00 C ATOM 0 H PHE B 138 1.947 0.930 -7.391 1.00 0.00 H new ATOM 0 HA PHE B 138 -0.042 2.618 -6.526 1.00 0.00 H new ATOM 0 HB2 PHE B 138 2.732 1.900 -5.721 1.00 0.00 H new ATOM 0 HB3 PHE B 138 2.151 3.419 -5.069 1.00 0.00 H new ATOM 0 HD1 PHE B 138 -0.142 3.383 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE B 138 2.120 -0.124 -4.716 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -1.378 2.164 -2.123 1.00 0.00 H new ATOM 0 HE2 PHE B 138 0.889 -1.345 -2.975 1.00 0.00 H new ATOM 0 HZ PHE B 138 -0.864 -0.202 -1.675 1.00 0.00 H new