USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 153 ASN : amide:sc= 0.789 K(o=0.66,f=-1.3) USER MOD Set 1.2: A 157 HIS : no HD1:sc= -0.134 X(o=0.66,f=0.34) USER MOD Set 2.1: A 119 THR OG1 : rot 180:sc= -0.814 USER MOD Set 2.2: A 122 GLN : amide:sc= 0.218 K(o=-0.6,f=-6!) USER MOD Single : A 100 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.0041) USER MOD Single : A 101 SER OG : rot 180:sc= -0.72 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -75:sc= 1.08 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 112 SER OG : rot 80:sc= 1.25 USER MOD Single : A 116 LYS NZ :NH3+ 153:sc= -0.0975 (180deg=-0.796) USER MOD Single : A 124 TYR OH : rot -91:sc= -0.833 USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 152:sc= 1.14 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ -160:sc= -0.114 (180deg=-0.668) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.24) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot -122:sc= -0.364 USER MOD Single : A 147 LYS NZ :NH3+ -164:sc= 1.53 (180deg=0.245) USER MOD Single : A 148 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.9!) USER MOD Single : A 149 SER OG : rot -82:sc= 0.261! USER MOD Single : A 152 HIS : no HE2:sc= -2.98 K(o=-3,f=-4.5!) USER MOD Single : A 155 SER OG : rot 180:sc= -0.16 USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ -157:sc= -0.0833 (180deg=-0.653) USER MOD Single : A 164 HIS : no HD1:sc= -0.794! C(o=-0.79!,f=-5.5!) USER MOD Single : A 165 ASN : amide:sc= -4.55! C(o=-4.6!,f=-7.4!) USER MOD Single : A 171 SER OG : rot 90:sc= -0.99 USER MOD Single : A 172 SER OG : rot -160:sc= 0.00066 USER MOD Single : A 175 MET CE :methyl -118:sc= 0 (180deg=-0.0142) USER MOD Single : A 177 ASN : amide:sc= -0.491 K(o=-0.49,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -7.895 10.479 3.835 1.00 0.00 N ATOM 130 CA GLN A 100 -8.165 9.063 4.216 1.00 0.00 C ATOM 131 C GLN A 100 -6.982 8.523 5.029 1.00 0.00 C ATOM 132 O GLN A 100 -5.845 8.874 4.788 1.00 0.00 O ATOM 133 CB GLN A 100 -8.338 8.233 2.940 1.00 0.00 C ATOM 134 CG GLN A 100 -9.521 8.782 2.139 1.00 0.00 C ATOM 135 CD GLN A 100 -9.586 8.083 0.783 1.00 0.00 C ATOM 136 OE1 GLN A 100 -10.468 7.282 0.543 1.00 0.00 O ATOM 137 NE2 GLN A 100 -8.684 8.354 -0.122 1.00 0.00 N ATOM 0 HA GLN A 100 -9.071 9.003 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.428 8.272 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.509 7.187 3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.450 8.623 2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.412 9.858 2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.944 9.026 0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.719 7.893 -1.031 1.00 0.00 H new ATOM 146 N SER A 101 -7.238 7.676 5.992 1.00 0.00 N ATOM 147 CA SER A 101 -6.119 7.130 6.814 1.00 0.00 C ATOM 148 C SER A 101 -5.233 6.232 5.946 1.00 0.00 C ATOM 149 O SER A 101 -5.671 5.690 4.949 1.00 0.00 O ATOM 150 CB SER A 101 -6.681 6.316 7.982 1.00 0.00 C ATOM 151 OG SER A 101 -7.523 5.292 7.478 1.00 0.00 O ATOM 0 H SER A 101 -8.168 7.341 6.243 1.00 0.00 H new ATOM 0 HA SER A 101 -5.527 7.958 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.867 5.881 8.562 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.241 6.964 8.656 1.00 0.00 H new ATOM 0 HG SER A 101 -7.883 4.768 8.224 1.00 0.00 H new ATOM 157 N TYR A 102 -3.992 6.068 6.317 1.00 0.00 N ATOM 158 CA TYR A 102 -3.084 5.204 5.509 1.00 0.00 C ATOM 159 C TYR A 102 -3.651 3.785 5.461 1.00 0.00 C ATOM 160 O TYR A 102 -3.608 3.119 4.446 1.00 0.00 O ATOM 161 CB TYR A 102 -1.698 5.156 6.159 1.00 0.00 C ATOM 162 CG TYR A 102 -0.913 6.407 5.823 1.00 0.00 C ATOM 163 CD1 TYR A 102 -0.547 6.672 4.497 1.00 0.00 C ATOM 164 CD2 TYR A 102 -0.531 7.286 6.845 1.00 0.00 C ATOM 165 CE1 TYR A 102 0.196 7.822 4.195 1.00 0.00 C ATOM 166 CE2 TYR A 102 0.217 8.431 6.543 1.00 0.00 C ATOM 167 CZ TYR A 102 0.579 8.700 5.219 1.00 0.00 C ATOM 168 OH TYR A 102 1.320 9.828 4.924 1.00 0.00 O ATOM 0 H TYR A 102 -3.569 6.493 7.142 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.003 5.613 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.800 5.062 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.157 4.276 5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.836 5.992 3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.814 7.080 7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.474 8.032 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.514 9.106 7.332 1.00 0.00 H new ATOM 0 HH TYR A 102 1.499 10.327 5.748 1.00 0.00 H new ATOM 178 N ALA A 103 -4.180 3.318 6.558 1.00 0.00 N ATOM 179 CA ALA A 103 -4.750 1.942 6.585 1.00 0.00 C ATOM 180 C ALA A 103 -5.732 1.775 5.424 1.00 0.00 C ATOM 181 O ALA A 103 -5.702 0.793 4.707 1.00 0.00 O ATOM 182 CB ALA A 103 -5.484 1.724 7.911 1.00 0.00 C ATOM 0 H ALA A 103 -4.242 3.830 7.438 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.947 1.211 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.902 0.718 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.785 1.845 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.288 2.454 8.006 1.00 0.00 H new ATOM 188 N GLU A 104 -6.605 2.726 5.231 1.00 0.00 N ATOM 189 CA GLU A 104 -7.592 2.624 4.119 1.00 0.00 C ATOM 190 C GLU A 104 -6.882 2.717 2.769 1.00 0.00 C ATOM 191 O GLU A 104 -7.240 2.045 1.821 1.00 0.00 O ATOM 192 CB GLU A 104 -8.601 3.768 4.227 1.00 0.00 C ATOM 193 CG GLU A 104 -9.411 3.626 5.516 1.00 0.00 C ATOM 194 CD GLU A 104 -10.480 4.720 5.558 1.00 0.00 C ATOM 195 OE1 GLU A 104 -10.867 5.183 4.496 1.00 0.00 O ATOM 196 OE2 GLU A 104 -10.893 5.079 6.647 1.00 0.00 O ATOM 0 H GLU A 104 -6.677 3.571 5.797 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.103 1.664 4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.081 4.726 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.268 3.759 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.878 2.642 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.755 3.707 6.383 1.00 0.00 H new ATOM 203 N LEU A 105 -5.895 3.559 2.665 1.00 0.00 N ATOM 204 CA LEU A 105 -5.183 3.707 1.369 1.00 0.00 C ATOM 205 C LEU A 105 -4.448 2.410 1.019 1.00 0.00 C ATOM 206 O LEU A 105 -4.416 2.001 -0.125 1.00 0.00 O ATOM 207 CB LEU A 105 -4.212 4.884 1.468 1.00 0.00 C ATOM 208 CG LEU A 105 -5.015 6.155 1.782 1.00 0.00 C ATOM 209 CD1 LEU A 105 -4.068 7.343 2.009 1.00 0.00 C ATOM 210 CD2 LEU A 105 -5.967 6.463 0.614 1.00 0.00 C ATOM 0 H LEU A 105 -5.551 4.151 3.421 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.899 3.906 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.473 4.701 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.665 5.003 0.533 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.594 5.992 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.652 8.236 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.406 7.125 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.474 7.511 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.537 7.365 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.388 6.616 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.652 5.627 0.473 1.00 0.00 H new ATOM 222 N ILE A 106 -3.876 1.741 1.981 1.00 0.00 N ATOM 223 CA ILE A 106 -3.179 0.462 1.660 1.00 0.00 C ATOM 224 C ILE A 106 -4.187 -0.514 1.054 1.00 0.00 C ATOM 225 O ILE A 106 -3.912 -1.177 0.073 1.00 0.00 O ATOM 226 CB ILE A 106 -2.586 -0.150 2.934 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.397 0.697 3.400 1.00 0.00 C ATOM 228 CG2 ILE A 106 -2.115 -1.578 2.641 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.892 0.186 4.754 1.00 0.00 C ATOM 0 H ILE A 106 -3.860 2.018 2.962 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.373 0.658 0.952 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.345 -0.172 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.596 0.652 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.694 1.742 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.693 -2.015 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.961 -2.179 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.355 -1.557 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.047 0.792 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.693 0.255 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.577 -0.853 4.656 1.00 0.00 H new ATOM 241 N SER A 107 -5.354 -0.609 1.630 1.00 0.00 N ATOM 242 CA SER A 107 -6.372 -1.547 1.083 1.00 0.00 C ATOM 243 C SER A 107 -6.640 -1.211 -0.387 1.00 0.00 C ATOM 244 O SER A 107 -6.761 -2.089 -1.214 1.00 0.00 O ATOM 245 CB SER A 107 -7.667 -1.437 1.890 1.00 0.00 C ATOM 246 OG SER A 107 -8.385 -0.282 1.478 1.00 0.00 O ATOM 0 H SER A 107 -5.645 -0.080 2.452 1.00 0.00 H new ATOM 0 HA SER A 107 -5.998 -2.568 1.155 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.276 -2.329 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.441 -1.377 2.955 1.00 0.00 H new ATOM 0 HG SER A 107 -7.954 0.519 1.843 1.00 0.00 H new ATOM 252 N GLN A 108 -6.732 0.047 -0.728 1.00 0.00 N ATOM 253 CA GLN A 108 -6.985 0.404 -2.154 1.00 0.00 C ATOM 254 C GLN A 108 -5.837 -0.118 -3.021 1.00 0.00 C ATOM 255 O GLN A 108 -6.044 -0.637 -4.100 1.00 0.00 O ATOM 256 CB GLN A 108 -7.076 1.924 -2.305 1.00 0.00 C ATOM 257 CG GLN A 108 -8.223 2.465 -1.448 1.00 0.00 C ATOM 258 CD GLN A 108 -8.348 3.975 -1.670 1.00 0.00 C ATOM 259 OE1 GLN A 108 -7.360 4.658 -1.845 1.00 0.00 O ATOM 260 NE2 GLN A 108 -9.529 4.524 -1.673 1.00 0.00 N ATOM 0 H GLN A 108 -6.644 0.836 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.925 -0.047 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.136 2.385 -2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.237 2.185 -3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -9.156 1.968 -1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.037 2.254 -0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.359 3.949 -1.526 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.624 5.528 -1.822 1.00 0.00 H new ATOM 269 N ALA A 109 -4.628 0.022 -2.553 1.00 0.00 N ATOM 270 CA ALA A 109 -3.457 -0.457 -3.342 1.00 0.00 C ATOM 271 C ALA A 109 -3.602 -1.953 -3.632 1.00 0.00 C ATOM 272 O ALA A 109 -3.573 -2.374 -4.771 1.00 0.00 O ATOM 273 CB ALA A 109 -2.176 -0.207 -2.541 1.00 0.00 C ATOM 0 H ALA A 109 -4.399 0.449 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.409 0.083 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.316 -0.555 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.073 0.860 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.227 -0.748 -1.596 1.00 0.00 H new ATOM 279 N ILE A 110 -3.763 -2.762 -2.620 1.00 0.00 N ATOM 280 CA ILE A 110 -3.914 -4.224 -2.863 1.00 0.00 C ATOM 281 C ILE A 110 -5.206 -4.473 -3.644 1.00 0.00 C ATOM 282 O ILE A 110 -5.245 -5.262 -4.566 1.00 0.00 O ATOM 283 CB ILE A 110 -3.968 -4.970 -1.527 1.00 0.00 C ATOM 284 CG1 ILE A 110 -2.656 -4.735 -0.765 1.00 0.00 C ATOM 285 CG2 ILE A 110 -4.148 -6.467 -1.787 1.00 0.00 C ATOM 286 CD1 ILE A 110 -2.752 -5.330 0.643 1.00 0.00 C ATOM 0 H ILE A 110 -3.796 -2.476 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.062 -4.587 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.806 -4.603 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.826 -5.191 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.448 -3.667 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.187 -6.999 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.077 -6.632 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.309 -6.837 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.816 -5.158 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.570 -4.854 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.938 -6.402 0.573 1.00 0.00 H new ATOM 298 N GLU A 111 -6.265 -3.800 -3.283 1.00 0.00 N ATOM 299 CA GLU A 111 -7.553 -3.989 -4.008 1.00 0.00 C ATOM 300 C GLU A 111 -7.367 -3.616 -5.478 1.00 0.00 C ATOM 301 O GLU A 111 -7.933 -4.228 -6.364 1.00 0.00 O ATOM 302 CB GLU A 111 -8.618 -3.080 -3.396 1.00 0.00 C ATOM 303 CG GLU A 111 -9.005 -3.588 -2.007 1.00 0.00 C ATOM 304 CD GLU A 111 -9.742 -2.483 -1.251 1.00 0.00 C ATOM 305 OE1 GLU A 111 -9.746 -1.362 -1.732 1.00 0.00 O ATOM 306 OE2 GLU A 111 -10.292 -2.776 -0.202 1.00 0.00 O ATOM 0 H GLU A 111 -6.293 -3.127 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.865 -5.030 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.241 -2.060 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.497 -3.052 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.639 -4.470 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.114 -3.889 -1.456 1.00 0.00 H new ATOM 313 N SER A 112 -6.581 -2.610 -5.743 1.00 0.00 N ATOM 314 CA SER A 112 -6.362 -2.186 -7.150 1.00 0.00 C ATOM 315 C SER A 112 -5.460 -3.203 -7.846 1.00 0.00 C ATOM 316 O SER A 112 -5.376 -3.248 -9.056 1.00 0.00 O ATOM 317 CB SER A 112 -5.685 -0.813 -7.165 1.00 0.00 C ATOM 318 OG SER A 112 -6.562 0.153 -6.595 1.00 0.00 O ATOM 0 H SER A 112 -6.080 -2.063 -5.043 1.00 0.00 H new ATOM 0 HA SER A 112 -7.318 -2.127 -7.670 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.752 -0.849 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.431 -0.532 -8.187 1.00 0.00 H new ATOM 0 HG SER A 112 -6.518 0.098 -5.618 1.00 0.00 H new ATOM 324 N ALA A 113 -4.780 -4.019 -7.087 1.00 0.00 N ATOM 325 CA ALA A 113 -3.879 -5.034 -7.704 1.00 0.00 C ATOM 326 C ALA A 113 -4.714 -6.141 -8.361 1.00 0.00 C ATOM 327 O ALA A 113 -5.789 -6.475 -7.904 1.00 0.00 O ATOM 328 CB ALA A 113 -2.976 -5.637 -6.621 1.00 0.00 C ATOM 0 H ALA A 113 -4.809 -4.027 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.263 -4.556 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.316 -6.380 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.378 -4.848 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.591 -6.113 -5.857 1.00 0.00 H new ATOM 334 N PRO A 114 -4.213 -6.712 -9.428 1.00 0.00 N ATOM 335 CA PRO A 114 -4.909 -7.810 -10.167 1.00 0.00 C ATOM 336 C PRO A 114 -4.910 -9.128 -9.387 1.00 0.00 C ATOM 337 O PRO A 114 -5.947 -9.703 -9.114 1.00 0.00 O ATOM 338 CB PRO A 114 -4.085 -7.958 -11.452 1.00 0.00 C ATOM 339 CG PRO A 114 -2.725 -7.452 -11.107 1.00 0.00 C ATOM 340 CD PRO A 114 -2.926 -6.365 -10.053 1.00 0.00 C ATOM 0 HA PRO A 114 -5.959 -7.576 -10.341 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -4.047 -8.998 -11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.523 -7.384 -12.269 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.097 -8.256 -10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.224 -7.051 -11.988 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.116 -6.361 -9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.955 -5.373 -10.503 1.00 0.00 H new ATOM 348 N GLU A 115 -3.753 -9.618 -9.042 1.00 0.00 N ATOM 349 CA GLU A 115 -3.678 -10.904 -8.296 1.00 0.00 C ATOM 350 C GLU A 115 -4.018 -10.669 -6.820 1.00 0.00 C ATOM 351 O GLU A 115 -3.954 -11.571 -6.010 1.00 0.00 O ATOM 352 CB GLU A 115 -2.260 -11.473 -8.414 1.00 0.00 C ATOM 353 CG GLU A 115 -2.278 -12.971 -8.096 1.00 0.00 C ATOM 354 CD GLU A 115 -0.858 -13.530 -8.195 1.00 0.00 C ATOM 355 OE1 GLU A 115 -0.478 -13.934 -9.279 1.00 0.00 O ATOM 356 OE2 GLU A 115 -0.177 -13.549 -7.186 1.00 0.00 O ATOM 0 H GLU A 115 -2.854 -9.182 -9.245 1.00 0.00 H new ATOM 0 HA GLU A 115 -4.393 -11.611 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.875 -11.309 -9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.591 -10.954 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -2.676 -13.136 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.935 -13.493 -8.791 1.00 0.00 H new ATOM 363 N LYS A 116 -4.377 -9.464 -6.463 1.00 0.00 N ATOM 364 CA LYS A 116 -4.717 -9.172 -5.040 1.00 0.00 C ATOM 365 C LYS A 116 -3.503 -9.464 -4.157 1.00 0.00 C ATOM 366 O LYS A 116 -3.610 -10.114 -3.137 1.00 0.00 O ATOM 367 CB LYS A 116 -5.895 -10.052 -4.595 1.00 0.00 C ATOM 368 CG LYS A 116 -7.060 -9.903 -5.579 1.00 0.00 C ATOM 369 CD LYS A 116 -7.440 -8.426 -5.702 1.00 0.00 C ATOM 370 CE LYS A 116 -8.769 -8.298 -6.448 1.00 0.00 C ATOM 371 NZ LYS A 116 -9.859 -8.907 -5.635 1.00 0.00 N ATOM 0 H LYS A 116 -4.449 -8.668 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.996 -8.123 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.582 -11.095 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.215 -9.766 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.779 -10.299 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.917 -10.482 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -7.523 -7.978 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.659 -7.882 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.989 -7.248 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -8.703 -8.794 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.764 -8.452 -5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.919 -9.924 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.656 -8.771 -4.624 1.00 0.00 H new ATOM 385 N ARG A 117 -2.347 -8.986 -4.539 1.00 0.00 N ATOM 386 CA ARG A 117 -1.121 -9.241 -3.723 1.00 0.00 C ATOM 387 C ARG A 117 -0.050 -8.202 -4.056 1.00 0.00 C ATOM 388 O ARG A 117 0.108 -7.811 -5.194 1.00 0.00 O ATOM 389 CB ARG A 117 -0.545 -10.617 -4.070 1.00 0.00 C ATOM 390 CG ARG A 117 -1.516 -11.732 -3.684 1.00 0.00 C ATOM 391 CD ARG A 117 -0.831 -13.073 -3.927 1.00 0.00 C ATOM 392 NE ARG A 117 -1.786 -14.188 -3.685 1.00 0.00 N ATOM 393 CZ ARG A 117 -1.513 -15.377 -4.147 1.00 0.00 C ATOM 394 NH1 ARG A 117 -0.409 -15.575 -4.817 1.00 0.00 N ATOM 395 NH2 ARG A 117 -2.336 -16.367 -3.940 1.00 0.00 N ATOM 0 H ARG A 117 -2.198 -8.430 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.394 -9.190 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.334 -10.668 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.403 -10.760 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.805 -11.638 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.430 -11.660 -4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.458 -13.119 -4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.032 -13.174 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.647 -14.024 -3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.236 -14.801 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.192 -16.503 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -3.197 -16.213 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -2.119 -17.295 -4.303 1.00 0.00 H new ATOM 409 N LEU A 118 0.711 -7.773 -3.079 1.00 0.00 N ATOM 410 CA LEU A 118 1.795 -6.784 -3.359 1.00 0.00 C ATOM 411 C LEU A 118 2.924 -6.937 -2.335 1.00 0.00 C ATOM 412 O LEU A 118 2.697 -7.267 -1.188 1.00 0.00 O ATOM 413 CB LEU A 118 1.255 -5.351 -3.265 1.00 0.00 C ATOM 414 CG LEU A 118 0.443 -4.983 -4.516 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.012 -3.519 -4.404 1.00 0.00 C ATOM 416 CD2 LEU A 118 1.304 -5.153 -5.781 1.00 0.00 C ATOM 0 H LEU A 118 0.628 -8.064 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 118 2.169 -6.973 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.628 -5.253 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.084 -4.653 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.423 -5.642 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.589 -3.249 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.631 -3.397 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.861 -2.871 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.716 -4.889 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.175 -4.501 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.631 -6.190 -5.862 1.00 0.00 H new ATOM 428 N THR A 119 4.137 -6.662 -2.738 1.00 0.00 N ATOM 429 CA THR A 119 5.284 -6.750 -1.788 1.00 0.00 C ATOM 430 C THR A 119 5.398 -5.407 -1.069 1.00 0.00 C ATOM 431 O THR A 119 4.728 -4.461 -1.415 1.00 0.00 O ATOM 432 CB THR A 119 6.580 -7.039 -2.556 1.00 0.00 C ATOM 433 OG1 THR A 119 6.567 -6.320 -3.777 1.00 0.00 O ATOM 434 CG2 THR A 119 6.702 -8.537 -2.853 1.00 0.00 C ATOM 0 H THR A 119 4.383 -6.380 -3.687 1.00 0.00 H new ATOM 0 HA THR A 119 5.122 -7.555 -1.072 1.00 0.00 H new ATOM 0 HB THR A 119 7.430 -6.730 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.394 -6.500 -4.271 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.627 -8.726 -3.398 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.713 -9.094 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.853 -8.859 -3.456 1.00 0.00 H new ATOM 442 N LEU A 120 6.224 -5.305 -0.069 1.00 0.00 N ATOM 443 CA LEU A 120 6.330 -4.005 0.654 1.00 0.00 C ATOM 444 C LEU A 120 6.738 -2.899 -0.328 1.00 0.00 C ATOM 445 O LEU A 120 6.156 -1.831 -0.350 1.00 0.00 O ATOM 446 CB LEU A 120 7.381 -4.117 1.766 1.00 0.00 C ATOM 447 CG LEU A 120 7.427 -2.807 2.569 1.00 0.00 C ATOM 448 CD1 LEU A 120 6.110 -2.616 3.334 1.00 0.00 C ATOM 449 CD2 LEU A 120 8.601 -2.854 3.561 1.00 0.00 C ATOM 0 H LEU A 120 6.824 -6.053 0.278 1.00 0.00 H new ATOM 0 HA LEU A 120 5.363 -3.759 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.139 -4.951 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.360 -4.325 1.335 1.00 0.00 H new ATOM 0 HG LEU A 120 7.564 -1.970 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.150 -1.686 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.281 -2.575 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.962 -3.452 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.634 -1.925 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.467 -3.693 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.535 -2.977 3.013 1.00 0.00 H new ATOM 461 N ALA A 121 7.738 -3.137 -1.130 1.00 0.00 N ATOM 462 CA ALA A 121 8.188 -2.096 -2.103 1.00 0.00 C ATOM 463 C ALA A 121 7.074 -1.741 -3.100 1.00 0.00 C ATOM 464 O ALA A 121 6.912 -0.599 -3.474 1.00 0.00 O ATOM 465 CB ALA A 121 9.409 -2.609 -2.870 1.00 0.00 C ATOM 0 H ALA A 121 8.266 -4.009 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 121 8.444 -1.197 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.738 -1.850 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.215 -2.824 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 121 9.145 -3.519 -3.408 1.00 0.00 H new ATOM 471 N GLN A 122 6.324 -2.704 -3.559 1.00 0.00 N ATOM 472 CA GLN A 122 5.258 -2.397 -4.554 1.00 0.00 C ATOM 473 C GLN A 122 4.144 -1.566 -3.912 1.00 0.00 C ATOM 474 O GLN A 122 3.497 -0.779 -4.572 1.00 0.00 O ATOM 475 CB GLN A 122 4.692 -3.702 -5.117 1.00 0.00 C ATOM 476 CG GLN A 122 5.784 -4.423 -5.909 1.00 0.00 C ATOM 477 CD GLN A 122 5.259 -5.766 -6.424 1.00 0.00 C ATOM 478 OE1 GLN A 122 4.484 -6.427 -5.762 1.00 0.00 O ATOM 479 NE2 GLN A 122 5.647 -6.193 -7.592 1.00 0.00 N ATOM 0 H GLN A 122 6.402 -3.685 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 122 5.690 -1.813 -5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.334 -4.337 -4.306 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.837 -3.494 -5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 122 6.106 -3.804 -6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.657 -4.583 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.298 -5.638 -8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 122 5.300 -7.083 -7.951 1.00 0.00 H new ATOM 488 N ILE A 123 3.908 -1.717 -2.636 1.00 0.00 N ATOM 489 CA ILE A 123 2.829 -0.906 -1.998 1.00 0.00 C ATOM 490 C ILE A 123 3.211 0.575 -2.039 1.00 0.00 C ATOM 491 O ILE A 123 2.419 1.418 -2.412 1.00 0.00 O ATOM 492 CB ILE A 123 2.628 -1.343 -0.541 1.00 0.00 C ATOM 493 CG1 ILE A 123 2.233 -2.823 -0.508 1.00 0.00 C ATOM 494 CG2 ILE A 123 1.509 -0.504 0.098 1.00 0.00 C ATOM 495 CD1 ILE A 123 2.259 -3.345 0.935 1.00 0.00 C ATOM 0 H ILE A 123 4.406 -2.356 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 123 1.899 -1.061 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 123 3.554 -1.196 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.237 -2.951 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.918 -3.404 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.367 -0.815 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 123 1.784 0.550 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.582 -0.652 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.977 -4.398 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.263 -3.234 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.556 -2.774 1.541 1.00 0.00 H new ATOM 507 N TYR A 124 4.420 0.906 -1.665 1.00 0.00 N ATOM 508 CA TYR A 124 4.836 2.340 -1.695 1.00 0.00 C ATOM 509 C TYR A 124 4.703 2.873 -3.121 1.00 0.00 C ATOM 510 O TYR A 124 4.252 3.979 -3.349 1.00 0.00 O ATOM 511 CB TYR A 124 6.302 2.463 -1.261 1.00 0.00 C ATOM 512 CG TYR A 124 6.529 1.883 0.125 1.00 0.00 C ATOM 513 CD1 TYR A 124 5.462 1.397 0.904 1.00 0.00 C ATOM 514 CD2 TYR A 124 7.835 1.825 0.629 1.00 0.00 C ATOM 515 CE1 TYR A 124 5.711 0.866 2.175 1.00 0.00 C ATOM 516 CE2 TYR A 124 8.078 1.291 1.900 1.00 0.00 C ATOM 517 CZ TYR A 124 7.017 0.810 2.671 1.00 0.00 C ATOM 518 OH TYR A 124 7.258 0.280 3.925 1.00 0.00 O ATOM 0 H TYR A 124 5.132 0.251 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 124 4.201 2.911 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 124 6.939 1.947 -1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 124 6.597 3.512 -1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 124 4.453 1.434 0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.658 2.194 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.891 0.498 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 124 9.086 1.251 2.285 1.00 0.00 H new ATOM 0 HH TYR A 124 7.230 0.996 4.594 1.00 0.00 H new ATOM 528 N GLU A 125 5.109 2.092 -4.081 1.00 0.00 N ATOM 529 CA GLU A 125 5.036 2.533 -5.503 1.00 0.00 C ATOM 530 C GLU A 125 3.596 2.847 -5.909 1.00 0.00 C ATOM 531 O GLU A 125 3.333 3.838 -6.560 1.00 0.00 O ATOM 532 CB GLU A 125 5.590 1.423 -6.390 1.00 0.00 C ATOM 533 CG GLU A 125 7.083 1.264 -6.106 1.00 0.00 C ATOM 534 CD GLU A 125 7.635 0.079 -6.900 1.00 0.00 C ATOM 535 OE1 GLU A 125 6.861 -0.809 -7.211 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.823 0.080 -7.180 1.00 0.00 O ATOM 0 H GLU A 125 5.492 1.157 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 125 5.625 3.443 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.067 0.487 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.429 1.664 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.614 2.176 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.246 1.107 -5.040 1.00 0.00 H new ATOM 543 N TRP A 126 2.656 2.024 -5.543 1.00 0.00 N ATOM 544 CA TRP A 126 1.250 2.320 -5.938 1.00 0.00 C ATOM 545 C TRP A 126 0.857 3.695 -5.401 1.00 0.00 C ATOM 546 O TRP A 126 0.288 4.506 -6.102 1.00 0.00 O ATOM 547 CB TRP A 126 0.303 1.260 -5.369 1.00 0.00 C ATOM 548 CG TRP A 126 -1.105 1.633 -5.704 1.00 0.00 C ATOM 549 CD1 TRP A 126 -1.739 1.340 -6.865 1.00 0.00 C ATOM 550 CD2 TRP A 126 -2.063 2.368 -4.896 1.00 0.00 C ATOM 551 NE1 TRP A 126 -3.024 1.849 -6.814 1.00 0.00 N ATOM 552 CE2 TRP A 126 -3.273 2.491 -5.621 1.00 0.00 C ATOM 553 CE3 TRP A 126 -2.001 2.931 -3.613 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -4.379 3.154 -5.091 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -3.112 3.600 -3.073 1.00 0.00 C ATOM 556 CH2 TRP A 126 -4.299 3.710 -3.811 1.00 0.00 C ATOM 0 H TRP A 126 2.794 1.173 -4.997 1.00 0.00 H new ATOM 0 HA TRP A 126 1.175 2.310 -7.025 1.00 0.00 H new ATOM 0 HB2 TRP A 126 0.542 0.281 -5.784 1.00 0.00 H new ATOM 0 HB3 TRP A 126 0.426 1.187 -4.288 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -1.311 0.797 -7.695 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.705 1.760 -7.568 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -1.092 2.850 -3.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.290 3.237 -5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -3.051 4.032 -2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -5.151 4.224 -3.391 1.00 0.00 H new ATOM 567 N MET A 127 1.154 3.961 -4.159 1.00 0.00 N ATOM 568 CA MET A 127 0.795 5.281 -3.572 1.00 0.00 C ATOM 569 C MET A 127 1.403 6.418 -4.400 1.00 0.00 C ATOM 570 O MET A 127 0.750 7.399 -4.687 1.00 0.00 O ATOM 571 CB MET A 127 1.311 5.354 -2.133 1.00 0.00 C ATOM 572 CG MET A 127 0.564 4.326 -1.278 1.00 0.00 C ATOM 573 SD MET A 127 0.821 4.682 0.476 1.00 0.00 S ATOM 574 CE MET A 127 -0.542 3.672 1.109 1.00 0.00 C ATOM 0 H MET A 127 1.631 3.320 -3.525 1.00 0.00 H new ATOM 0 HA MET A 127 -0.290 5.389 -3.578 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.383 5.156 -2.108 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.162 6.356 -1.731 1.00 0.00 H new ATOM 0 HG2 MET A 127 -0.501 4.351 -1.511 1.00 0.00 H new ATOM 0 HG3 MET A 127 0.918 3.321 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.573 3.744 2.196 1.00 0.00 H new ATOM 0 HE2 MET A 127 -1.484 4.031 0.694 1.00 0.00 H new ATOM 0 HE3 MET A 127 -0.390 2.633 0.818 1.00 0.00 H new ATOM 584 N VAL A 128 2.642 6.309 -4.788 1.00 0.00 N ATOM 585 CA VAL A 128 3.252 7.411 -5.586 1.00 0.00 C ATOM 586 C VAL A 128 2.522 7.538 -6.928 1.00 0.00 C ATOM 587 O VAL A 128 2.221 8.626 -7.379 1.00 0.00 O ATOM 588 CB VAL A 128 4.735 7.116 -5.846 1.00 0.00 C ATOM 589 CG1 VAL A 128 5.395 8.338 -6.502 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.444 6.806 -4.522 1.00 0.00 C ATOM 0 H VAL A 128 3.253 5.516 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 128 3.163 8.342 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 128 4.817 6.255 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.448 8.127 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.898 8.556 -7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.308 9.199 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.497 6.597 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.359 7.664 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.981 5.936 -4.056 1.00 0.00 H new ATOM 600 N ARG A 129 2.256 6.434 -7.577 1.00 0.00 N ATOM 601 CA ARG A 129 1.571 6.486 -8.901 1.00 0.00 C ATOM 602 C ARG A 129 0.112 6.948 -8.762 1.00 0.00 C ATOM 603 O ARG A 129 -0.378 7.698 -9.579 1.00 0.00 O ATOM 604 CB ARG A 129 1.615 5.098 -9.541 1.00 0.00 C ATOM 605 CG ARG A 129 0.829 5.108 -10.858 1.00 0.00 C ATOM 606 CD ARG A 129 0.859 3.712 -11.487 1.00 0.00 C ATOM 607 NE ARG A 129 2.039 3.586 -12.388 1.00 0.00 N ATOM 608 CZ ARG A 129 2.433 2.405 -12.783 1.00 0.00 C ATOM 609 NH1 ARG A 129 1.808 1.335 -12.365 1.00 0.00 N ATOM 610 NH2 ARG A 129 3.452 2.293 -13.590 1.00 0.00 N ATOM 0 H ARG A 129 2.485 5.497 -7.245 1.00 0.00 H new ATOM 0 HA ARG A 129 2.090 7.208 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.649 4.805 -9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.192 4.360 -8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -0.201 5.413 -10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.260 5.836 -11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.904 2.953 -10.706 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -0.059 3.537 -12.049 1.00 0.00 H new ATOM 0 HE ARG A 129 2.538 4.421 -12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.014 1.423 -11.731 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.115 0.412 -12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.941 3.128 -13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.759 1.371 -13.898 1.00 0.00 H new ATOM 624 N THR A 130 -0.597 6.510 -7.755 1.00 0.00 N ATOM 625 CA THR A 130 -2.022 6.948 -7.625 1.00 0.00 C ATOM 626 C THR A 130 -2.075 8.332 -6.984 1.00 0.00 C ATOM 627 O THR A 130 -2.882 9.165 -7.344 1.00 0.00 O ATOM 628 CB THR A 130 -2.802 5.960 -6.748 1.00 0.00 C ATOM 629 OG1 THR A 130 -2.407 4.631 -7.062 1.00 0.00 O ATOM 630 CG2 THR A 130 -4.307 6.119 -7.002 1.00 0.00 C ATOM 0 H THR A 130 -0.261 5.879 -7.028 1.00 0.00 H new ATOM 0 HA THR A 130 -2.471 6.981 -8.618 1.00 0.00 H new ATOM 0 HB THR A 130 -2.589 6.165 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 130 -2.529 4.059 -6.276 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.858 5.416 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.612 7.137 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.522 5.918 -8.051 1.00 0.00 H new ATOM 638 N VAL A 131 -1.225 8.580 -6.030 1.00 0.00 N ATOM 639 CA VAL A 131 -1.224 9.905 -5.352 1.00 0.00 C ATOM 640 C VAL A 131 -0.181 10.824 -6.022 1.00 0.00 C ATOM 641 O VAL A 131 0.993 10.512 -6.053 1.00 0.00 O ATOM 642 CB VAL A 131 -0.876 9.683 -3.878 1.00 0.00 C ATOM 643 CG1 VAL A 131 -1.202 10.936 -3.066 1.00 0.00 C ATOM 644 CG2 VAL A 131 -1.701 8.506 -3.346 1.00 0.00 C ATOM 0 H VAL A 131 -0.527 7.919 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 131 -2.201 10.381 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 131 0.189 9.469 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.950 10.767 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.623 11.777 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.265 11.159 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.461 8.339 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -2.763 8.732 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.467 7.609 -3.919 1.00 0.00 H new ATOM 654 N PRO A 132 -0.606 11.943 -6.572 1.00 0.00 N ATOM 655 CA PRO A 132 0.309 12.907 -7.268 1.00 0.00 C ATOM 656 C PRO A 132 1.175 13.721 -6.298 1.00 0.00 C ATOM 657 O PRO A 132 2.286 14.105 -6.607 1.00 0.00 O ATOM 658 CB PRO A 132 -0.654 13.838 -8.010 1.00 0.00 C ATOM 659 CG PRO A 132 -1.902 13.819 -7.192 1.00 0.00 C ATOM 660 CD PRO A 132 -2.002 12.416 -6.595 1.00 0.00 C ATOM 0 HA PRO A 132 1.018 12.385 -7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.248 14.846 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -0.840 13.488 -9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.864 14.574 -6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.774 14.043 -7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.434 12.437 -5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -2.634 11.767 -7.201 1.00 0.00 H new ATOM 668 N TYR A 133 0.653 14.006 -5.143 1.00 0.00 N ATOM 669 CA TYR A 133 1.403 14.820 -4.143 1.00 0.00 C ATOM 670 C TYR A 133 2.766 14.192 -3.815 1.00 0.00 C ATOM 671 O TYR A 133 3.717 14.888 -3.522 1.00 0.00 O ATOM 672 CB TYR A 133 0.565 14.893 -2.863 1.00 0.00 C ATOM 673 CG TYR A 133 1.008 16.062 -2.023 1.00 0.00 C ATOM 674 CD1 TYR A 133 0.583 17.356 -2.346 1.00 0.00 C ATOM 675 CD2 TYR A 133 1.834 15.852 -0.913 1.00 0.00 C ATOM 676 CE1 TYR A 133 0.989 18.440 -1.563 1.00 0.00 C ATOM 677 CE2 TYR A 133 2.241 16.938 -0.130 1.00 0.00 C ATOM 678 CZ TYR A 133 1.816 18.233 -0.454 1.00 0.00 C ATOM 679 OH TYR A 133 2.212 19.304 0.317 1.00 0.00 O ATOM 0 H TYR A 133 -0.274 13.707 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 133 1.581 15.812 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.491 14.995 -3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.670 13.967 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -0.058 17.517 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 133 2.157 14.853 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 133 0.664 19.439 -1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.883 16.778 0.724 1.00 0.00 H new ATOM 0 HH TYR A 133 2.782 18.987 1.048 1.00 0.00 H new ATOM 689 N PHE A 134 2.863 12.888 -3.825 1.00 0.00 N ATOM 690 CA PHE A 134 4.158 12.230 -3.467 1.00 0.00 C ATOM 691 C PHE A 134 5.074 12.061 -4.690 1.00 0.00 C ATOM 692 O PHE A 134 6.190 11.594 -4.562 1.00 0.00 O ATOM 693 CB PHE A 134 3.861 10.861 -2.853 1.00 0.00 C ATOM 694 CG PHE A 134 3.365 11.049 -1.439 1.00 0.00 C ATOM 695 CD1 PHE A 134 4.279 11.221 -0.394 1.00 0.00 C ATOM 696 CD2 PHE A 134 1.992 11.054 -1.172 1.00 0.00 C ATOM 697 CE1 PHE A 134 3.820 11.397 0.917 1.00 0.00 C ATOM 698 CE2 PHE A 134 1.532 11.230 0.136 1.00 0.00 C ATOM 699 CZ PHE A 134 2.445 11.401 1.182 1.00 0.00 C ATOM 0 H PHE A 134 2.104 12.250 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 134 4.681 12.867 -2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 134 3.112 10.337 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.760 10.244 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 134 5.339 11.218 -0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 134 1.286 10.922 -1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 134 4.526 11.530 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 134 0.471 11.234 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 134 2.090 11.536 2.193 1.00 0.00 H new ATOM 709 N LYS A 135 4.644 12.433 -5.865 1.00 0.00 N ATOM 710 CA LYS A 135 5.541 12.277 -7.051 1.00 0.00 C ATOM 711 C LYS A 135 6.822 13.084 -6.830 1.00 0.00 C ATOM 712 O LYS A 135 7.911 12.631 -7.122 1.00 0.00 O ATOM 713 CB LYS A 135 4.848 12.802 -8.308 1.00 0.00 C ATOM 714 CG LYS A 135 3.818 11.791 -8.804 1.00 0.00 C ATOM 715 CD LYS A 135 3.207 12.303 -10.112 1.00 0.00 C ATOM 716 CE LYS A 135 2.203 11.286 -10.652 1.00 0.00 C ATOM 717 NZ LYS A 135 1.899 11.601 -12.077 1.00 0.00 N ATOM 0 H LYS A 135 3.725 12.833 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 135 5.775 11.220 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 135 4.360 13.753 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.587 12.991 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 135 4.289 10.821 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 135 3.039 11.649 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.713 13.260 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.993 12.476 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 135 2.609 10.278 -10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 135 1.289 11.311 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.216 10.910 -12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.495 12.557 -12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 2.774 11.556 -12.637 1.00 0.00 H new ATOM 731 N ASP A 136 6.697 14.280 -6.322 1.00 0.00 N ATOM 732 CA ASP A 136 7.901 15.125 -6.089 1.00 0.00 C ATOM 733 C ASP A 136 8.745 14.515 -4.966 1.00 0.00 C ATOM 734 O ASP A 136 9.923 14.261 -5.122 1.00 0.00 O ATOM 735 CB ASP A 136 7.458 16.533 -5.685 1.00 0.00 C ATOM 736 CG ASP A 136 6.896 17.274 -6.902 1.00 0.00 C ATOM 737 OD1 ASP A 136 6.311 16.626 -7.755 1.00 0.00 O ATOM 738 OD2 ASP A 136 7.059 18.482 -6.957 1.00 0.00 O ATOM 0 H ASP A 136 5.810 14.709 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 136 8.495 15.175 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.701 16.475 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 136 8.302 17.084 -5.271 1.00 0.00 H new ATOM 743 N LYS A 137 8.147 14.292 -3.829 1.00 0.00 N ATOM 744 CA LYS A 137 8.887 13.696 -2.677 1.00 0.00 C ATOM 745 C LYS A 137 9.435 12.324 -3.057 1.00 0.00 C ATOM 746 O LYS A 137 10.508 11.931 -2.646 1.00 0.00 O ATOM 747 CB LYS A 137 7.916 13.532 -1.511 1.00 0.00 C ATOM 748 CG LYS A 137 7.330 14.895 -1.148 1.00 0.00 C ATOM 749 CD LYS A 137 6.317 14.729 -0.014 1.00 0.00 C ATOM 750 CE LYS A 137 5.675 16.080 0.312 1.00 0.00 C ATOM 751 NZ LYS A 137 6.739 17.090 0.580 1.00 0.00 N ATOM 0 H LYS A 137 7.165 14.499 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 137 9.716 14.348 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.118 12.840 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.431 13.104 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.125 15.575 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.848 15.339 -2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.549 14.012 -0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 137 6.811 14.328 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.051 16.407 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.024 15.984 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 6.336 17.884 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.503 16.651 1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.121 17.440 -0.322 1.00 0.00 H new ATOM 765 N GLY A 138 8.690 11.581 -3.824 1.00 0.00 N ATOM 766 CA GLY A 138 9.141 10.215 -4.218 1.00 0.00 C ATOM 767 C GLY A 138 10.569 10.249 -4.769 1.00 0.00 C ATOM 768 O GLY A 138 11.362 9.369 -4.498 1.00 0.00 O ATOM 0 H GLY A 138 7.783 11.861 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.095 9.550 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 138 8.466 9.808 -4.971 1.00 0.00 H new ATOM 772 N ASP A 139 10.908 11.241 -5.545 1.00 0.00 N ATOM 773 CA ASP A 139 12.288 11.295 -6.110 1.00 0.00 C ATOM 774 C ASP A 139 13.265 11.832 -5.065 1.00 0.00 C ATOM 775 O ASP A 139 14.463 11.668 -5.183 1.00 0.00 O ATOM 776 CB ASP A 139 12.308 12.200 -7.343 1.00 0.00 C ATOM 777 CG ASP A 139 11.600 11.492 -8.499 1.00 0.00 C ATOM 778 OD1 ASP A 139 12.104 10.473 -8.940 1.00 0.00 O ATOM 779 OD2 ASP A 139 10.566 11.979 -8.923 1.00 0.00 O ATOM 0 H ASP A 139 10.295 12.012 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 139 12.591 10.287 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 139 11.813 13.146 -7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 139 13.336 12.435 -7.620 1.00 0.00 H new ATOM 784 N SER A 140 12.766 12.479 -4.046 1.00 0.00 N ATOM 785 CA SER A 140 13.669 13.036 -2.995 1.00 0.00 C ATOM 786 C SER A 140 13.413 12.328 -1.663 1.00 0.00 C ATOM 787 O SER A 140 12.287 12.133 -1.251 1.00 0.00 O ATOM 788 CB SER A 140 13.402 14.531 -2.848 1.00 0.00 C ATOM 789 OG SER A 140 14.343 15.088 -1.938 1.00 0.00 O ATOM 0 H SER A 140 11.771 12.646 -3.895 1.00 0.00 H new ATOM 0 HA SER A 140 14.708 12.878 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 140 13.480 15.023 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.387 14.697 -2.487 1.00 0.00 H new ATOM 0 HG SER A 140 14.176 16.049 -1.842 1.00 0.00 H new ATOM 795 N ASN A 141 14.457 11.926 -0.999 1.00 0.00 N ATOM 796 CA ASN A 141 14.303 11.204 0.294 1.00 0.00 C ATOM 797 C ASN A 141 14.011 12.185 1.436 1.00 0.00 C ATOM 798 O ASN A 141 14.187 11.867 2.596 1.00 0.00 O ATOM 799 CB ASN A 141 15.599 10.451 0.580 1.00 0.00 C ATOM 800 CG ASN A 141 15.991 9.650 -0.663 1.00 0.00 C ATOM 801 OD1 ASN A 141 15.149 9.052 -1.306 1.00 0.00 O ATOM 802 ND2 ASN A 141 17.240 9.618 -1.040 1.00 0.00 N ATOM 0 H ASN A 141 15.422 12.068 -1.299 1.00 0.00 H new ATOM 0 HA ASN A 141 13.465 10.510 0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 141 16.392 11.151 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 141 15.467 9.784 1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 141 17.508 9.092 -1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 141 17.948 10.119 -0.503 1.00 0.00 H new ATOM 809 N SER A 142 13.570 13.373 1.126 1.00 0.00 N ATOM 810 CA SER A 142 13.273 14.364 2.203 1.00 0.00 C ATOM 811 C SER A 142 12.175 13.829 3.128 1.00 0.00 C ATOM 812 O SER A 142 12.227 13.998 4.330 1.00 0.00 O ATOM 813 CB SER A 142 12.794 15.671 1.567 1.00 0.00 C ATOM 814 OG SER A 142 12.572 16.639 2.587 1.00 0.00 O ATOM 0 H SER A 142 13.402 13.702 0.175 1.00 0.00 H new ATOM 0 HA SER A 142 14.179 14.537 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.537 16.037 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 142 11.875 15.500 1.006 1.00 0.00 H new ATOM 0 HG SER A 142 12.267 17.477 2.182 1.00 0.00 H new ATOM 820 N SER A 143 11.170 13.200 2.574 1.00 0.00 N ATOM 821 CA SER A 143 10.049 12.667 3.407 1.00 0.00 C ATOM 822 C SER A 143 10.159 11.145 3.534 1.00 0.00 C ATOM 823 O SER A 143 9.174 10.450 3.639 1.00 0.00 O ATOM 824 CB SER A 143 8.721 13.030 2.736 1.00 0.00 C ATOM 825 OG SER A 143 8.878 14.252 2.026 1.00 0.00 O ATOM 0 H SER A 143 11.077 13.031 1.572 1.00 0.00 H new ATOM 0 HA SER A 143 10.099 13.105 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 143 8.414 12.236 2.055 1.00 0.00 H new ATOM 0 HB3 SER A 143 7.936 13.129 3.485 1.00 0.00 H new ATOM 0 HG SER A 143 8.231 14.909 2.358 1.00 0.00 H new ATOM 831 N ALA A 144 11.346 10.621 3.519 1.00 0.00 N ATOM 832 CA ALA A 144 11.512 9.141 3.639 1.00 0.00 C ATOM 833 C ALA A 144 10.971 8.653 4.991 1.00 0.00 C ATOM 834 O ALA A 144 11.077 7.489 5.324 1.00 0.00 O ATOM 835 CB ALA A 144 12.997 8.797 3.533 1.00 0.00 C ATOM 0 H ALA A 144 12.214 11.149 3.429 1.00 0.00 H new ATOM 0 HA ALA A 144 10.956 8.651 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 144 13.128 7.718 3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 144 13.380 9.133 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 144 13.544 9.294 4.334 1.00 0.00 H new ATOM 841 N GLY A 145 10.430 9.536 5.785 1.00 0.00 N ATOM 842 CA GLY A 145 9.923 9.128 7.131 1.00 0.00 C ATOM 843 C GLY A 145 8.614 8.328 7.038 1.00 0.00 C ATOM 844 O GLY A 145 8.526 7.216 7.518 1.00 0.00 O ATOM 0 H GLY A 145 10.316 10.525 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 145 10.679 8.527 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 145 9.762 10.016 7.742 1.00 0.00 H new ATOM 848 N TRP A 146 7.585 8.894 6.464 1.00 0.00 N ATOM 849 CA TRP A 146 6.276 8.174 6.390 1.00 0.00 C ATOM 850 C TRP A 146 6.438 6.759 5.825 1.00 0.00 C ATOM 851 O TRP A 146 5.672 5.874 6.153 1.00 0.00 O ATOM 852 CB TRP A 146 5.299 8.965 5.517 1.00 0.00 C ATOM 853 CG TRP A 146 5.876 9.133 4.154 1.00 0.00 C ATOM 854 CD1 TRP A 146 6.739 10.104 3.798 1.00 0.00 C ATOM 855 CD2 TRP A 146 5.643 8.330 2.960 1.00 0.00 C ATOM 856 NE1 TRP A 146 7.063 9.948 2.462 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.409 8.868 1.900 1.00 0.00 C ATOM 858 CE3 TRP A 146 4.853 7.197 2.699 1.00 0.00 C ATOM 859 CZ2 TRP A 146 6.390 8.302 0.623 1.00 0.00 C ATOM 860 CZ3 TRP A 146 4.829 6.627 1.415 1.00 0.00 C ATOM 861 CH2 TRP A 146 5.598 7.178 0.381 1.00 0.00 C ATOM 0 H TRP A 146 7.593 9.823 6.043 1.00 0.00 H new ATOM 0 HA TRP A 146 5.886 8.089 7.404 1.00 0.00 H new ATOM 0 HB2 TRP A 146 4.344 8.444 5.457 1.00 0.00 H new ATOM 0 HB3 TRP A 146 5.103 9.940 5.963 1.00 0.00 H new ATOM 0 HD1 TRP A 146 7.117 10.878 4.449 1.00 0.00 H new ATOM 0 HE1 TRP A 146 7.706 10.556 1.954 1.00 0.00 H new ATOM 0 HE3 TRP A 146 4.261 6.762 3.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 6.983 8.731 -0.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 4.215 5.760 1.224 1.00 0.00 H new ATOM 0 HH2 TRP A 146 5.578 6.733 -0.603 1.00 0.00 H new ATOM 872 N LYS A 147 7.407 6.516 4.987 1.00 0.00 N ATOM 873 CA LYS A 147 7.556 5.136 4.438 1.00 0.00 C ATOM 874 C LYS A 147 7.643 4.144 5.602 1.00 0.00 C ATOM 875 O LYS A 147 7.023 3.096 5.591 1.00 0.00 O ATOM 876 CB LYS A 147 8.826 5.059 3.584 1.00 0.00 C ATOM 877 CG LYS A 147 8.679 5.992 2.379 1.00 0.00 C ATOM 878 CD LYS A 147 9.835 5.759 1.402 1.00 0.00 C ATOM 879 CE LYS A 147 9.626 6.616 0.152 1.00 0.00 C ATOM 880 NZ LYS A 147 8.313 6.279 -0.465 1.00 0.00 N ATOM 0 H LYS A 147 8.092 7.198 4.662 1.00 0.00 H new ATOM 0 HA LYS A 147 6.697 4.888 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.695 5.345 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 147 8.992 4.035 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 147 7.727 5.811 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 147 8.673 7.031 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 147 10.783 6.013 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 147 9.888 4.705 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 147 9.657 7.674 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.431 6.441 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 8.283 6.645 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 8.191 5.246 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 7.547 6.710 0.091 1.00 0.00 H new ATOM 894 N ASN A 148 8.397 4.471 6.612 1.00 0.00 N ATOM 895 CA ASN A 148 8.514 3.563 7.782 1.00 0.00 C ATOM 896 C ASN A 148 7.150 3.416 8.468 1.00 0.00 C ATOM 897 O ASN A 148 6.821 2.375 9.002 1.00 0.00 O ATOM 898 CB ASN A 148 9.525 4.143 8.770 1.00 0.00 C ATOM 899 CG ASN A 148 10.920 4.097 8.143 1.00 0.00 C ATOM 900 OD1 ASN A 148 11.132 3.419 7.158 1.00 0.00 O ATOM 901 ND2 ASN A 148 11.885 4.793 8.675 1.00 0.00 N ATOM 0 H ASN A 148 8.939 5.332 6.677 1.00 0.00 H new ATOM 0 HA ASN A 148 8.850 2.582 7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 148 9.259 5.170 9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 148 9.511 3.574 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 148 12.818 4.768 8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 148 11.707 5.362 9.502 1.00 0.00 H new ATOM 908 N SER A 149 6.362 4.460 8.472 1.00 0.00 N ATOM 909 CA SER A 149 5.030 4.390 9.139 1.00 0.00 C ATOM 910 C SER A 149 4.231 3.211 8.593 1.00 0.00 C ATOM 911 O SER A 149 3.645 2.448 9.334 1.00 0.00 O ATOM 912 CB SER A 149 4.260 5.683 8.874 1.00 0.00 C ATOM 913 OG SER A 149 3.844 5.723 7.515 1.00 0.00 O ATOM 0 H SER A 149 6.584 5.358 8.042 1.00 0.00 H new ATOM 0 HA SER A 149 5.177 4.258 10.211 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.393 5.743 9.532 1.00 0.00 H new ATOM 0 HB3 SER A 149 4.889 6.545 9.097 1.00 0.00 H new ATOM 0 HG SER A 149 4.583 6.041 6.956 1.00 0.00 H new ATOM 919 N ILE A 150 4.194 3.061 7.302 1.00 0.00 N ATOM 920 CA ILE A 150 3.423 1.934 6.705 1.00 0.00 C ATOM 921 C ILE A 150 4.000 0.595 7.173 1.00 0.00 C ATOM 922 O ILE A 150 3.276 -0.310 7.532 1.00 0.00 O ATOM 923 CB ILE A 150 3.499 2.014 5.178 1.00 0.00 C ATOM 924 CG1 ILE A 150 2.788 3.289 4.706 1.00 0.00 C ATOM 925 CG2 ILE A 150 2.822 0.778 4.567 1.00 0.00 C ATOM 926 CD1 ILE A 150 2.932 3.436 3.189 1.00 0.00 C ATOM 0 H ILE A 150 4.664 3.669 6.631 1.00 0.00 H new ATOM 0 HA ILE A 150 2.384 2.007 7.026 1.00 0.00 H new ATOM 0 HB ILE A 150 4.541 2.042 4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 150 1.733 3.249 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.213 4.159 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 150 2.876 0.834 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 150 3.332 -0.123 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 150 1.778 0.744 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.425 4.343 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 150 3.989 3.497 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 150 2.485 2.573 2.696 1.00 0.00 H new ATOM 938 N ARG A 151 5.295 0.456 7.160 1.00 0.00 N ATOM 939 CA ARG A 151 5.913 -0.831 7.590 1.00 0.00 C ATOM 940 C ARG A 151 5.378 -1.260 8.962 1.00 0.00 C ATOM 941 O ARG A 151 5.043 -2.411 9.170 1.00 0.00 O ATOM 942 CB ARG A 151 7.430 -0.651 7.664 1.00 0.00 C ATOM 943 CG ARG A 151 8.114 -2.004 7.870 1.00 0.00 C ATOM 944 CD ARG A 151 9.628 -1.800 7.843 1.00 0.00 C ATOM 945 NE ARG A 151 10.329 -3.114 7.862 1.00 0.00 N ATOM 946 CZ ARG A 151 11.560 -3.199 7.429 1.00 0.00 C ATOM 947 NH1 ARG A 151 12.154 -2.146 6.938 1.00 0.00 N ATOM 948 NH2 ARG A 151 12.194 -4.338 7.476 1.00 0.00 N ATOM 0 H ARG A 151 5.954 1.178 6.870 1.00 0.00 H new ATOM 0 HA ARG A 151 5.660 -1.606 6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.794 -0.188 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 151 7.684 0.021 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 151 7.809 -2.440 8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.813 -2.702 7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.910 -1.243 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 151 9.936 -1.204 8.702 1.00 0.00 H new ATOM 0 HE ARG A 151 9.851 -3.944 8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 151 11.658 -1.256 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 151 13.114 -2.213 6.600 1.00 0.00 H new ATOM 0 HH21 ARG A 151 11.730 -5.165 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 151 13.154 -4.402 7.138 1.00 0.00 H new ATOM 962 N HIS A 152 5.302 -0.359 9.903 1.00 0.00 N ATOM 963 CA HIS A 152 4.801 -0.740 11.258 1.00 0.00 C ATOM 964 C HIS A 152 3.323 -1.133 11.182 1.00 0.00 C ATOM 965 O HIS A 152 2.845 -1.932 11.963 1.00 0.00 O ATOM 966 CB HIS A 152 4.957 0.441 12.216 1.00 0.00 C ATOM 967 CG HIS A 152 6.208 1.203 11.880 1.00 0.00 C ATOM 968 ND1 HIS A 152 7.372 0.573 11.463 1.00 0.00 N ATOM 969 CD2 HIS A 152 6.486 2.547 11.889 1.00 0.00 C ATOM 970 CE1 HIS A 152 8.291 1.533 11.237 1.00 0.00 C ATOM 971 NE2 HIS A 152 7.800 2.750 11.483 1.00 0.00 N ATOM 0 H HIS A 152 5.563 0.621 9.795 1.00 0.00 H new ATOM 0 HA HIS A 152 5.382 -1.588 11.621 1.00 0.00 H new ATOM 0 HB2 HIS A 152 4.090 1.097 12.144 1.00 0.00 H new ATOM 0 HB3 HIS A 152 5.002 0.084 13.245 1.00 0.00 H new ATOM 0 HD1 HIS A 152 7.507 -0.431 11.349 1.00 0.00 H new ATOM 0 HD2 HIS A 152 5.792 3.326 12.168 1.00 0.00 H new ATOM 0 HE1 HIS A 152 9.299 1.342 10.899 1.00 0.00 H new ATOM 980 N ASN A 153 2.593 -0.568 10.259 1.00 0.00 N ATOM 981 CA ASN A 153 1.143 -0.901 10.150 1.00 0.00 C ATOM 982 C ASN A 153 0.982 -2.355 9.705 1.00 0.00 C ATOM 983 O ASN A 153 0.175 -3.089 10.238 1.00 0.00 O ATOM 984 CB ASN A 153 0.491 0.031 9.124 1.00 0.00 C ATOM 985 CG ASN A 153 0.229 1.391 9.769 1.00 0.00 C ATOM 986 OD1 ASN A 153 -0.897 1.714 10.090 1.00 0.00 O ATOM 987 ND2 ASN A 153 1.229 2.205 9.980 1.00 0.00 N ATOM 0 H ASN A 153 2.936 0.108 9.577 1.00 0.00 H new ATOM 0 HA ASN A 153 0.661 -0.771 11.119 1.00 0.00 H new ATOM 0 HB2 ASN A 153 1.141 0.147 8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.444 -0.401 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 153 1.065 3.113 10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 153 2.174 1.933 9.710 1.00 0.00 H new ATOM 994 N LEU A 154 1.747 -2.783 8.741 1.00 0.00 N ATOM 995 CA LEU A 154 1.637 -4.192 8.272 1.00 0.00 C ATOM 996 C LEU A 154 1.919 -5.152 9.434 1.00 0.00 C ATOM 997 O LEU A 154 1.315 -6.200 9.541 1.00 0.00 O ATOM 998 CB LEU A 154 2.656 -4.433 7.157 1.00 0.00 C ATOM 999 CG LEU A 154 2.384 -3.472 5.997 1.00 0.00 C ATOM 1000 CD1 LEU A 154 3.569 -3.489 5.024 1.00 0.00 C ATOM 1001 CD2 LEU A 154 1.105 -3.891 5.258 1.00 0.00 C ATOM 0 H LEU A 154 2.444 -2.218 8.257 1.00 0.00 H new ATOM 0 HA LEU A 154 0.629 -4.369 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.667 -4.285 7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.594 -5.465 6.810 1.00 0.00 H new ATOM 0 HG LEU A 154 2.254 -2.465 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 154 3.372 -2.804 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.473 -3.178 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 154 3.705 -4.498 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.919 -3.202 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.225 -4.901 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.262 -3.868 5.948 1.00 0.00 H new ATOM 1013 N SER A 155 2.846 -4.815 10.289 1.00 0.00 N ATOM 1014 CA SER A 155 3.180 -5.722 11.429 1.00 0.00 C ATOM 1015 C SER A 155 2.269 -5.459 12.641 1.00 0.00 C ATOM 1016 O SER A 155 1.848 -6.379 13.315 1.00 0.00 O ATOM 1017 CB SER A 155 4.638 -5.499 11.835 1.00 0.00 C ATOM 1018 OG SER A 155 4.735 -4.315 12.617 1.00 0.00 O ATOM 0 H SER A 155 3.387 -3.952 10.249 1.00 0.00 H new ATOM 0 HA SER A 155 3.027 -6.752 11.105 1.00 0.00 H new ATOM 0 HB2 SER A 155 5.004 -6.354 12.403 1.00 0.00 H new ATOM 0 HB3 SER A 155 5.265 -5.414 10.948 1.00 0.00 H new ATOM 0 HG SER A 155 5.668 -4.172 12.879 1.00 0.00 H new ATOM 1024 N LEU A 156 1.986 -4.219 12.945 1.00 0.00 N ATOM 1025 CA LEU A 156 1.133 -3.920 14.139 1.00 0.00 C ATOM 1026 C LEU A 156 -0.341 -4.231 13.861 1.00 0.00 C ATOM 1027 O LEU A 156 -1.102 -4.481 14.773 1.00 0.00 O ATOM 1028 CB LEU A 156 1.261 -2.436 14.515 1.00 0.00 C ATOM 1029 CG LEU A 156 2.682 -2.127 15.004 1.00 0.00 C ATOM 1030 CD1 LEU A 156 2.869 -0.611 15.088 1.00 0.00 C ATOM 1031 CD2 LEU A 156 2.900 -2.727 16.397 1.00 0.00 C ATOM 0 H LEU A 156 2.305 -3.403 12.423 1.00 0.00 H new ATOM 0 HA LEU A 156 1.479 -4.549 14.959 1.00 0.00 H new ATOM 0 HB2 LEU A 156 1.024 -1.814 13.652 1.00 0.00 H new ATOM 0 HB3 LEU A 156 0.540 -2.188 15.294 1.00 0.00 H new ATOM 0 HG LEU A 156 3.399 -2.558 14.305 1.00 0.00 H new ATOM 0 HD11 LEU A 156 3.878 -0.388 15.435 1.00 0.00 H new ATOM 0 HD12 LEU A 156 2.719 -0.171 14.102 1.00 0.00 H new ATOM 0 HD13 LEU A 156 2.144 -0.193 15.786 1.00 0.00 H new ATOM 0 HD21 LEU A 156 3.911 -2.502 16.736 1.00 0.00 H new ATOM 0 HD22 LEU A 156 2.180 -2.298 17.094 1.00 0.00 H new ATOM 0 HD23 LEU A 156 2.764 -3.808 16.353 1.00 0.00 H new ATOM 1043 N HIS A 157 -0.762 -4.195 12.625 1.00 0.00 N ATOM 1044 CA HIS A 157 -2.201 -4.465 12.327 1.00 0.00 C ATOM 1045 C HIS A 157 -2.387 -5.873 11.769 1.00 0.00 C ATOM 1046 O HIS A 157 -1.897 -6.210 10.709 1.00 0.00 O ATOM 1047 CB HIS A 157 -2.700 -3.440 11.315 1.00 0.00 C ATOM 1048 CG HIS A 157 -2.675 -2.083 11.959 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -2.819 -1.920 13.330 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -2.532 -0.815 11.445 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -2.762 -0.600 13.593 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -2.589 0.114 12.479 1.00 0.00 N ATOM 0 H HIS A 157 -0.178 -3.992 11.814 1.00 0.00 H new ATOM 0 HA HIS A 157 -2.773 -4.387 13.251 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -2.070 -3.449 10.425 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -3.711 -3.688 10.992 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.396 -0.577 10.400 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -2.846 -0.173 14.582 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -2.514 1.128 12.402 1.00 0.00 H new ATOM 1061 N SER A 158 -3.114 -6.692 12.479 1.00 0.00 N ATOM 1062 CA SER A 158 -3.360 -8.080 12.002 1.00 0.00 C ATOM 1063 C SER A 158 -4.240 -8.025 10.754 1.00 0.00 C ATOM 1064 O SER A 158 -4.364 -8.987 10.023 1.00 0.00 O ATOM 1065 CB SER A 158 -4.070 -8.878 13.100 1.00 0.00 C ATOM 1066 OG SER A 158 -3.202 -9.010 14.217 1.00 0.00 O ATOM 0 H SER A 158 -3.549 -6.458 13.371 1.00 0.00 H new ATOM 0 HA SER A 158 -2.413 -8.565 11.763 1.00 0.00 H new ATOM 0 HB2 SER A 158 -4.989 -8.373 13.396 1.00 0.00 H new ATOM 0 HB3 SER A 158 -4.353 -9.862 12.726 1.00 0.00 H new ATOM 0 HG SER A 158 -3.653 -9.519 14.923 1.00 0.00 H new ATOM 1072 N LYS A 159 -4.846 -6.894 10.500 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.714 -6.755 9.297 1.00 0.00 C ATOM 1074 C LYS A 159 -4.944 -7.236 8.064 1.00 0.00 C ATOM 1075 O LYS A 159 -5.488 -7.896 7.199 1.00 0.00 O ATOM 1076 CB LYS A 159 -6.103 -5.285 9.131 1.00 0.00 C ATOM 1077 CG LYS A 159 -7.009 -5.117 7.909 1.00 0.00 C ATOM 1078 CD LYS A 159 -7.304 -3.631 7.701 1.00 0.00 C ATOM 1079 CE LYS A 159 -8.277 -3.449 6.528 1.00 0.00 C ATOM 1080 NZ LYS A 159 -7.726 -2.435 5.588 1.00 0.00 N ATOM 0 H LYS A 159 -4.775 -6.057 11.079 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.616 -7.356 9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -6.617 -4.933 10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -5.208 -4.674 9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.526 -5.531 7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -7.939 -5.668 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -7.732 -3.206 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -6.378 -3.092 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -8.425 -4.398 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -9.252 -3.130 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -8.382 -2.308 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -7.606 -1.530 6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -6.805 -2.758 5.230 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.679 -6.924 7.979 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.875 -7.380 6.808 1.00 0.00 C ATOM 1096 C PHE A 160 -2.238 -8.725 7.162 1.00 0.00 C ATOM 1097 O PHE A 160 -1.691 -8.892 8.234 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.781 -6.354 6.507 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.404 -4.990 6.321 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -3.169 -4.718 5.178 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -2.215 -3.995 7.287 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.745 -3.452 5.005 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.790 -2.730 7.112 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.556 -2.459 5.972 1.00 0.00 C ATOM 0 H PHE A 160 -3.168 -6.374 8.669 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.511 -7.484 5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.059 -6.327 7.323 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -1.236 -6.642 5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -3.314 -5.484 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -1.625 -4.203 8.168 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -4.335 -3.243 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.642 -1.963 7.857 1.00 0.00 H new ATOM 0 HZ PHE A 160 -4.001 -1.484 5.839 1.00 0.00 H new ATOM 1114 N ILE A 161 -2.322 -9.692 6.288 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.738 -11.031 6.602 1.00 0.00 C ATOM 1116 C ILE A 161 -0.352 -11.177 5.958 1.00 0.00 C ATOM 1117 O ILE A 161 -0.093 -10.676 4.882 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.700 -12.117 6.107 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.705 -12.176 4.576 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -4.118 -11.786 6.600 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.630 -13.306 4.123 1.00 0.00 C ATOM 0 H ILE A 161 -2.767 -9.615 5.374 1.00 0.00 H new ATOM 0 HA ILE A 161 -1.607 -11.136 7.679 1.00 0.00 H new ATOM 0 HB ILE A 161 -2.375 -13.082 6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -3.043 -11.225 4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.695 -12.344 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.812 -12.552 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -4.126 -11.755 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.423 -10.816 6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.639 -13.354 3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -3.271 -14.253 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.640 -13.117 4.486 1.00 0.00 H new ATOM 1133 N LYS A 162 0.545 -11.848 6.637 1.00 0.00 N ATOM 1134 CA LYS A 162 1.933 -12.024 6.114 1.00 0.00 C ATOM 1135 C LYS A 162 2.002 -13.229 5.164 1.00 0.00 C ATOM 1136 O LYS A 162 1.489 -14.292 5.451 1.00 0.00 O ATOM 1137 CB LYS A 162 2.871 -12.254 7.306 1.00 0.00 C ATOM 1138 CG LYS A 162 4.336 -12.136 6.869 1.00 0.00 C ATOM 1139 CD LYS A 162 4.726 -10.659 6.734 1.00 0.00 C ATOM 1140 CE LYS A 162 6.223 -10.546 6.440 1.00 0.00 C ATOM 1141 NZ LYS A 162 7.001 -11.058 7.602 1.00 0.00 N ATOM 0 H LYS A 162 0.371 -12.286 7.542 1.00 0.00 H new ATOM 0 HA LYS A 162 2.230 -11.134 5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 162 2.659 -11.525 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 162 2.691 -13.241 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 162 4.982 -12.626 7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.483 -12.648 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.152 -10.193 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.484 -10.124 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 162 6.472 -11.115 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.487 -9.507 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.955 -10.645 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.520 -10.794 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.072 -12.094 7.543 1.00 0.00 H new ATOM 1155 N VAL A 163 2.642 -13.061 4.034 1.00 0.00 N ATOM 1156 CA VAL A 163 2.765 -14.179 3.046 1.00 0.00 C ATOM 1157 C VAL A 163 4.197 -14.723 3.073 1.00 0.00 C ATOM 1158 O VAL A 163 5.152 -13.982 2.968 1.00 0.00 O ATOM 1159 CB VAL A 163 2.461 -13.633 1.654 1.00 0.00 C ATOM 1160 CG1 VAL A 163 2.563 -14.757 0.622 1.00 0.00 C ATOM 1161 CG2 VAL A 163 1.048 -13.044 1.635 1.00 0.00 C ATOM 0 H VAL A 163 3.089 -12.189 3.750 1.00 0.00 H new ATOM 0 HA VAL A 163 2.068 -14.979 3.296 1.00 0.00 H new ATOM 0 HB VAL A 163 3.183 -12.855 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.345 -14.361 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.571 -15.171 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.846 -15.541 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.830 -12.654 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.326 -13.821 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.980 -12.237 2.365 1.00 0.00 H new ATOM 1171 N HIS A 164 4.356 -16.009 3.225 1.00 0.00 N ATOM 1172 CA HIS A 164 5.730 -16.596 3.275 1.00 0.00 C ATOM 1173 C HIS A 164 6.291 -16.798 1.859 1.00 0.00 C ATOM 1174 O HIS A 164 6.312 -17.896 1.336 1.00 0.00 O ATOM 1175 CB HIS A 164 5.678 -17.943 3.994 1.00 0.00 C ATOM 1176 CG HIS A 164 4.845 -18.889 3.179 1.00 0.00 C ATOM 1177 ND1 HIS A 164 3.527 -18.612 2.853 1.00 0.00 N ATOM 1178 CD2 HIS A 164 5.136 -20.091 2.583 1.00 0.00 C ATOM 1179 CE1 HIS A 164 3.079 -19.620 2.086 1.00 0.00 C ATOM 1180 NE2 HIS A 164 4.019 -20.546 1.895 1.00 0.00 N ATOM 0 H HIS A 164 3.595 -16.681 3.317 1.00 0.00 H new ATOM 0 HA HIS A 164 6.382 -15.908 3.812 1.00 0.00 H new ATOM 0 HB2 HIS A 164 6.684 -18.341 4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 164 5.251 -17.824 4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 164 6.085 -20.603 2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 164 2.082 -19.674 1.675 1.00 0.00 H new ATOM 0 HE2 HIS A 164 3.935 -21.408 1.356 1.00 0.00 H new ATOM 1189 N ASN A 165 6.760 -15.754 1.243 1.00 0.00 N ATOM 1190 CA ASN A 165 7.339 -15.886 -0.125 1.00 0.00 C ATOM 1191 C ASN A 165 8.626 -16.722 -0.051 1.00 0.00 C ATOM 1192 O ASN A 165 9.554 -16.372 0.649 1.00 0.00 O ATOM 1193 CB ASN A 165 7.669 -14.482 -0.644 1.00 0.00 C ATOM 1194 CG ASN A 165 7.803 -14.494 -2.163 1.00 0.00 C ATOM 1195 OD1 ASN A 165 7.455 -15.457 -2.813 1.00 0.00 O ATOM 1196 ND2 ASN A 165 8.299 -13.446 -2.756 1.00 0.00 N ATOM 0 H ASN A 165 6.769 -14.809 1.627 1.00 0.00 H new ATOM 0 HA ASN A 165 6.631 -16.376 -0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 165 6.886 -13.784 -0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 165 8.597 -14.130 -0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 165 8.396 -13.433 -3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 165 8.590 -12.638 -2.205 1.00 0.00 H new ATOM 1203 N GLU A 166 8.700 -17.817 -0.768 1.00 0.00 N ATOM 1204 CA GLU A 166 9.943 -18.646 -0.719 1.00 0.00 C ATOM 1205 C GLU A 166 11.085 -17.859 -1.357 1.00 0.00 C ATOM 1206 O GLU A 166 12.228 -17.961 -0.956 1.00 0.00 O ATOM 1207 CB GLU A 166 9.742 -19.949 -1.497 1.00 0.00 C ATOM 1208 CG GLU A 166 8.619 -20.769 -0.860 1.00 0.00 C ATOM 1209 CD GLU A 166 8.437 -22.067 -1.646 1.00 0.00 C ATOM 1210 OE1 GLU A 166 8.797 -22.088 -2.810 1.00 0.00 O ATOM 1211 OE2 GLU A 166 7.946 -23.021 -1.068 1.00 0.00 O ATOM 0 H GLU A 166 7.962 -18.169 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 166 10.176 -18.883 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 166 9.498 -19.728 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 166 10.667 -20.526 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.859 -20.990 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.691 -20.197 -0.859 1.00 0.00 H new ATOM 1218 N ALA A 167 10.775 -17.067 -2.344 1.00 0.00 N ATOM 1219 CA ALA A 167 11.820 -16.255 -3.015 1.00 0.00 C ATOM 1220 C ALA A 167 12.397 -15.273 -1.999 1.00 0.00 C ATOM 1221 O ALA A 167 12.210 -14.075 -2.096 1.00 0.00 O ATOM 1222 CB ALA A 167 11.193 -15.494 -4.192 1.00 0.00 C ATOM 0 H ALA A 167 9.833 -16.948 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 167 12.615 -16.896 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 167 11.958 -14.896 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 167 10.772 -16.205 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.404 -14.839 -3.823 1.00 0.00 H new ATOM 1271 N SER A 171 10.871 -9.528 -1.480 1.00 0.00 N ATOM 1272 CA SER A 171 10.215 -9.260 -0.168 1.00 0.00 C ATOM 1273 C SER A 171 8.936 -10.093 -0.035 1.00 0.00 C ATOM 1274 O SER A 171 8.351 -10.517 -1.011 1.00 0.00 O ATOM 1275 CB SER A 171 9.864 -7.771 -0.071 1.00 0.00 C ATOM 1276 OG SER A 171 8.456 -7.611 -0.180 1.00 0.00 O ATOM 0 HA SER A 171 10.901 -9.533 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 171 10.215 -7.364 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 171 10.367 -7.215 -0.862 1.00 0.00 H new ATOM 0 HG SER A 171 8.052 -7.654 0.712 1.00 0.00 H new ATOM 1282 N SER A 172 8.502 -10.326 1.175 1.00 0.00 N ATOM 1283 CA SER A 172 7.263 -11.127 1.391 1.00 0.00 C ATOM 1284 C SER A 172 6.063 -10.399 0.783 1.00 0.00 C ATOM 1285 O SER A 172 6.075 -9.197 0.610 1.00 0.00 O ATOM 1286 CB SER A 172 7.034 -11.303 2.892 1.00 0.00 C ATOM 1287 OG SER A 172 8.241 -11.732 3.502 1.00 0.00 O ATOM 0 H SER A 172 8.955 -9.994 2.027 1.00 0.00 H new ATOM 0 HA SER A 172 7.375 -12.101 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 172 6.703 -10.363 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.244 -12.033 3.068 1.00 0.00 H new ATOM 0 HG SER A 172 8.041 -12.145 4.368 1.00 0.00 H new ATOM 1293 N TRP A 173 5.021 -11.119 0.463 1.00 0.00 N ATOM 1294 CA TRP A 173 3.812 -10.470 -0.125 1.00 0.00 C ATOM 1295 C TRP A 173 2.844 -10.075 0.995 1.00 0.00 C ATOM 1296 O TRP A 173 2.822 -10.679 2.048 1.00 0.00 O ATOM 1297 CB TRP A 173 3.105 -11.439 -1.077 1.00 0.00 C ATOM 1298 CG TRP A 173 4.070 -11.964 -2.084 1.00 0.00 C ATOM 1299 CD1 TRP A 173 4.766 -13.122 -1.983 1.00 0.00 C ATOM 1300 CD2 TRP A 173 4.446 -11.371 -3.346 1.00 0.00 C ATOM 1301 NE1 TRP A 173 5.548 -13.269 -3.117 1.00 0.00 N ATOM 1302 CE2 TRP A 173 5.384 -12.210 -3.987 1.00 0.00 C ATOM 1303 CE3 TRP A 173 4.059 -10.191 -3.985 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 5.924 -11.883 -5.229 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 4.595 -9.852 -5.237 1.00 0.00 C ATOM 1306 CH2 TRP A 173 5.527 -10.696 -5.860 1.00 0.00 C ATOM 0 H TRP A 173 4.954 -12.130 0.583 1.00 0.00 H new ATOM 0 HA TRP A 173 4.123 -9.583 -0.676 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.672 -12.265 -0.512 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.283 -10.931 -1.581 1.00 0.00 H new ATOM 0 HD1 TRP A 173 4.719 -13.815 -1.156 1.00 0.00 H new ATOM 0 HE1 TRP A 173 6.168 -14.061 -3.288 1.00 0.00 H new ATOM 0 HE3 TRP A 173 3.343 -9.535 -3.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 6.642 -12.538 -5.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 4.289 -8.937 -5.723 1.00 0.00 H new ATOM 0 HH2 TRP A 173 5.937 -10.432 -6.823 1.00 0.00 H new ATOM 1317 N TRP A 174 2.035 -9.075 0.765 1.00 0.00 N ATOM 1318 CA TRP A 174 1.050 -8.646 1.797 1.00 0.00 C ATOM 1319 C TRP A 174 -0.356 -8.813 1.226 1.00 0.00 C ATOM 1320 O TRP A 174 -0.609 -8.503 0.076 1.00 0.00 O ATOM 1321 CB TRP A 174 1.286 -7.179 2.150 1.00 0.00 C ATOM 1322 CG TRP A 174 2.534 -7.056 2.964 1.00 0.00 C ATOM 1323 CD1 TRP A 174 3.724 -6.619 2.494 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.738 -7.364 4.376 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.646 -6.638 3.526 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.088 -7.089 4.705 1.00 0.00 C ATOM 1327 CE3 TRP A 174 1.894 -7.854 5.393 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.581 -7.284 5.995 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.388 -8.052 6.694 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.729 -7.770 6.993 1.00 0.00 C ATOM 0 H TRP A 174 2.015 -8.534 -0.100 1.00 0.00 H new ATOM 0 HA TRP A 174 1.163 -9.252 2.696 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.372 -6.585 1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.435 -6.787 2.708 1.00 0.00 H new ATOM 0 HD1 TRP A 174 3.923 -6.306 1.479 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.620 -6.353 3.427 1.00 0.00 H new ATOM 0 HE3 TRP A 174 0.861 -8.079 5.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.613 -7.061 6.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 1.732 -8.423 7.467 1.00 0.00 H new ATOM 0 HH2 TRP A 174 4.104 -7.928 7.993 1.00 0.00 H new ATOM 1341 N MET A 175 -1.277 -9.312 2.008 1.00 0.00 N ATOM 1342 CA MET A 175 -2.666 -9.506 1.495 1.00 0.00 C ATOM 1343 C MET A 175 -3.683 -9.066 2.543 1.00 0.00 C ATOM 1344 O MET A 175 -3.407 -9.027 3.725 1.00 0.00 O ATOM 1345 CB MET A 175 -2.899 -10.993 1.184 1.00 0.00 C ATOM 1346 CG MET A 175 -2.528 -11.300 -0.272 1.00 0.00 C ATOM 1347 SD MET A 175 -3.442 -12.764 -0.835 1.00 0.00 S ATOM 1348 CE MET A 175 -2.456 -14.017 0.022 1.00 0.00 C ATOM 0 H MET A 175 -1.128 -9.593 2.977 1.00 0.00 H new ATOM 0 HA MET A 175 -2.788 -8.907 0.592 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.302 -11.609 1.856 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.944 -11.249 1.361 1.00 0.00 H new ATOM 0 HG2 MET A 175 -2.763 -10.445 -0.906 1.00 0.00 H new ATOM 0 HG3 MET A 175 -1.455 -11.474 -0.356 1.00 0.00 H new ATOM 0 HE1 MET A 175 -1.993 -14.679 -0.710 1.00 0.00 H new ATOM 0 HE2 MET A 175 -1.680 -13.529 0.612 1.00 0.00 H new ATOM 0 HE3 MET A 175 -3.100 -14.599 0.681 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.871 -8.764 2.112 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.931 -8.365 3.067 1.00 0.00 C ATOM 1360 C LEU A 176 -6.459 -9.630 3.733 1.00 0.00 C ATOM 1361 O LEU A 176 -6.280 -10.721 3.230 1.00 0.00 O ATOM 1362 CB LEU A 176 -7.062 -7.667 2.312 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.473 -6.591 1.398 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.599 -5.805 0.729 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.608 -5.635 2.226 1.00 0.00 C ATOM 0 H LEU A 176 -5.154 -8.777 1.132 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.535 -7.679 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.623 -8.393 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.762 -7.218 3.017 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.862 -7.068 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -7.173 -5.040 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -8.214 -6.483 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -8.215 -5.330 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -5.188 -4.868 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -6.220 -5.163 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.799 -6.193 2.698 1.00 0.00 H new ATOM 1377 N ASN A 177 -7.099 -9.506 4.857 1.00 0.00 N ATOM 1378 CA ASN A 177 -7.622 -10.717 5.538 1.00 0.00 C ATOM 1379 C ASN A 177 -8.796 -11.288 4.724 1.00 0.00 C ATOM 1380 O ASN A 177 -9.752 -10.591 4.443 1.00 0.00 O ATOM 1381 CB ASN A 177 -8.099 -10.332 6.940 1.00 0.00 C ATOM 1382 CG ASN A 177 -8.627 -8.900 6.908 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -8.297 -8.095 7.756 1.00 0.00 O ATOM 1384 ND2 ASN A 177 -9.435 -8.544 5.950 1.00 0.00 N ATOM 0 H ASN A 177 -7.282 -8.622 5.332 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.839 -11.471 5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -8.881 -11.015 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -7.279 -10.415 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -9.791 -7.589 5.912 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -9.712 -9.220 5.238 1.00 0.00 H new