USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 454 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 Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -148:sc= -3.68! (180deg=-6.27!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 150:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -3.09 K(o=-3.1,f=-6.1!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 135 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-5!) USER MOD Single : A 139 SER OG : rot 160:sc= -0.503 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 20:sc= -1.27 USER MOD Single : A 145 SER OG : rot 33:sc= 0.0663 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= -0.827 K(o=-0.83,f=-4.8!) USER MOD Single : A 150 SER OG : rot 80:sc= 1.09 USER MOD Single : A 151 THR OG1 : rot -149:sc= -0.873! USER MOD Single : A 153 LYS NZ :NH3+ -179:sc= -2.86! (180deg=-2.9!) USER MOD Single : A 155 HIS : no HD1:sc= -0.34 K(o=-0.34,f=-1.1) USER MOD Single : A 157 GLN : amide:sc= -1.34 K(o=-1.3,f=-3!) USER MOD Single : A 159 ASN :FLIP amide:sc= -0.279 F(o=-0.85,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 103 N ILE A 98 12.983 1.599 -4.795 1.00 0.00 N ATOM 104 CA ILE A 98 11.645 1.864 -4.284 1.00 0.00 C ATOM 105 C ILE A 98 10.601 0.973 -4.945 1.00 0.00 C ATOM 106 O ILE A 98 10.523 0.888 -6.170 1.00 0.00 O ATOM 107 CB ILE A 98 11.244 3.338 -4.491 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.154 4.251 -3.671 1.00 0.00 C ATOM 109 CG2 ILE A 98 9.785 3.555 -4.111 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.927 5.724 -3.923 1.00 0.00 C ATOM 0 HA ILE A 98 11.676 1.644 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 98 11.361 3.586 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.000 4.045 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 98 13.193 4.009 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.521 4.601 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.149 2.926 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.639 3.294 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.609 6.308 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.109 5.946 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.898 5.982 -3.671 1.00 0.00 H new ATOM 122 N CYS A 99 9.787 0.330 -4.120 1.00 0.00 N ATOM 123 CA CYS A 99 8.727 -0.535 -4.613 1.00 0.00 C ATOM 124 C CYS A 99 7.722 0.289 -5.408 1.00 0.00 C ATOM 125 O CYS A 99 7.582 1.489 -5.172 1.00 0.00 O ATOM 126 CB CYS A 99 8.035 -1.240 -3.445 1.00 0.00 C ATOM 127 SG CYS A 99 9.158 -2.221 -2.399 1.00 0.00 S ATOM 0 H CYS A 99 9.841 0.392 -3.103 1.00 0.00 H new ATOM 0 HA CYS A 99 9.158 -1.294 -5.266 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.539 -0.493 -2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.258 -1.895 -3.839 1.00 0.00 H new ATOM 132 N SER A 100 7.036 -0.348 -6.355 1.00 0.00 N ATOM 133 CA SER A 100 6.054 0.347 -7.187 1.00 0.00 C ATOM 134 C SER A 100 5.253 1.348 -6.361 1.00 0.00 C ATOM 135 O SER A 100 4.366 0.976 -5.596 1.00 0.00 O ATOM 136 CB SER A 100 5.107 -0.659 -7.845 1.00 0.00 C ATOM 137 OG SER A 100 4.147 -0.001 -8.654 1.00 0.00 O ATOM 0 H SER A 100 7.141 -1.341 -6.565 1.00 0.00 H new ATOM 0 HA SER A 100 6.593 0.890 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.680 -1.360 -8.452 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.601 -1.243 -7.077 1.00 0.00 H new ATOM 0 HG SER A 100 3.555 -0.665 -9.065 1.00 0.00 H new ATOM 143 N LYS A 101 5.581 2.627 -6.520 1.00 0.00 N ATOM 144 CA LYS A 101 4.905 3.689 -5.785 1.00 0.00 C ATOM 145 C LYS A 101 3.440 3.813 -6.208 1.00 0.00 C ATOM 146 O LYS A 101 2.723 4.698 -5.740 1.00 0.00 O ATOM 147 CB LYS A 101 5.638 5.016 -5.992 1.00 0.00 C ATOM 148 CG LYS A 101 5.715 5.448 -7.448 1.00 0.00 C ATOM 149 CD LYS A 101 6.540 6.716 -7.624 1.00 0.00 C ATOM 150 CE LYS A 101 8.028 6.460 -7.427 1.00 0.00 C ATOM 151 NZ LYS A 101 8.351 6.032 -6.038 1.00 0.00 N ATOM 0 H LYS A 101 6.312 2.952 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 101 4.922 3.435 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.134 5.793 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.649 4.929 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.153 4.645 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.708 5.615 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.371 7.123 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.204 7.469 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.358 5.692 -8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.584 7.367 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.298 6.376 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.648 6.427 -5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.333 4.994 -5.982 1.00 0.00 H new ATOM 165 N SER A 102 3.002 2.914 -7.085 1.00 0.00 N ATOM 166 CA SER A 102 1.622 2.914 -7.561 1.00 0.00 C ATOM 167 C SER A 102 0.668 2.533 -6.433 1.00 0.00 C ATOM 168 O SER A 102 -0.425 3.088 -6.316 1.00 0.00 O ATOM 169 CB SER A 102 1.462 1.941 -8.731 1.00 0.00 C ATOM 170 OG SER A 102 0.127 1.927 -9.205 1.00 0.00 O ATOM 0 H SER A 102 3.584 2.175 -7.481 1.00 0.00 H new ATOM 0 HA SER A 102 1.377 3.920 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.135 2.226 -9.540 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.750 0.938 -8.416 1.00 0.00 H new ATOM 0 HG SER A 102 0.052 1.299 -9.953 1.00 0.00 H new ATOM 176 N TYR A 103 1.093 1.581 -5.607 1.00 0.00 N ATOM 177 CA TYR A 103 0.286 1.116 -4.482 1.00 0.00 C ATOM 178 C TYR A 103 -0.193 2.286 -3.628 1.00 0.00 C ATOM 179 O TYR A 103 -1.319 2.284 -3.131 1.00 0.00 O ATOM 180 CB TYR A 103 1.095 0.146 -3.614 1.00 0.00 C ATOM 181 CG TYR A 103 1.306 -1.222 -4.229 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.623 -1.370 -5.574 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.191 -2.370 -3.454 1.00 0.00 C ATOM 184 CE1 TYR A 103 1.817 -2.622 -6.128 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.384 -3.624 -3.999 1.00 0.00 C ATOM 186 CZ TYR A 103 1.696 -3.745 -5.337 1.00 0.00 C ATOM 187 OH TYR A 103 1.889 -4.992 -5.885 1.00 0.00 O ATOM 0 H TYR A 103 1.996 1.114 -5.696 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.586 0.602 -4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.068 0.590 -3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.588 0.026 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.719 -0.493 -6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.946 -2.280 -2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.062 -2.720 -7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.291 -4.505 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 103 2.240 -5.599 -5.201 1.00 0.00 H new ATOM 197 N LEU A 104 0.676 3.277 -3.455 1.00 0.00 N ATOM 198 CA LEU A 104 0.358 4.454 -2.652 1.00 0.00 C ATOM 199 C LEU A 104 -0.938 5.119 -3.112 1.00 0.00 C ATOM 200 O LEU A 104 -1.768 5.510 -2.292 1.00 0.00 O ATOM 201 CB LEU A 104 1.512 5.456 -2.715 1.00 0.00 C ATOM 202 CG LEU A 104 2.867 4.909 -2.258 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.946 5.972 -2.396 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.787 4.411 -0.823 1.00 0.00 C ATOM 0 H LEU A 104 1.611 3.288 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 104 0.215 4.126 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.608 5.813 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.259 6.319 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 104 3.131 4.067 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.902 5.565 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.023 6.279 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.688 6.834 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.760 4.026 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.499 5.233 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.044 3.616 -0.755 1.00 0.00 H new ATOM 216 N THR A 105 -1.109 5.249 -4.423 1.00 0.00 N ATOM 217 CA THR A 105 -2.308 5.872 -4.974 1.00 0.00 C ATOM 218 C THR A 105 -3.381 4.832 -5.286 1.00 0.00 C ATOM 219 O THR A 105 -3.090 3.772 -5.838 1.00 0.00 O ATOM 220 CB THR A 105 -1.992 6.673 -6.253 1.00 0.00 C ATOM 221 OG1 THR A 105 -3.198 7.224 -6.796 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.315 5.794 -7.294 1.00 0.00 C ATOM 0 H THR A 105 -0.436 4.933 -5.122 1.00 0.00 H new ATOM 0 HA THR A 105 -2.684 6.555 -4.212 1.00 0.00 H new ATOM 0 HB THR A 105 -1.310 7.481 -5.988 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.989 7.733 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.103 6.384 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.382 5.402 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.974 4.966 -7.555 1.00 0.00 H new ATOM 230 N LEU A 106 -4.624 5.148 -4.930 1.00 0.00 N ATOM 231 CA LEU A 106 -5.745 4.244 -5.173 1.00 0.00 C ATOM 232 C LEU A 106 -7.015 5.026 -5.497 1.00 0.00 C ATOM 233 O LEU A 106 -7.394 5.943 -4.769 1.00 0.00 O ATOM 234 CB LEU A 106 -5.980 3.344 -3.955 1.00 0.00 C ATOM 235 CG LEU A 106 -7.156 2.370 -4.081 1.00 0.00 C ATOM 236 CD1 LEU A 106 -7.031 1.534 -5.348 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.239 1.473 -2.853 1.00 0.00 C ATOM 0 H LEU A 106 -4.880 6.023 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.495 3.620 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.072 2.770 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.144 3.976 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.076 2.951 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.876 0.849 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.024 2.191 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.103 0.963 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.080 0.788 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.315 0.902 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.381 2.086 -1.963 1.00 0.00 H new ATOM 249 N GLU A 107 -7.665 4.657 -6.598 1.00 0.00 N ATOM 250 CA GLU A 107 -8.892 5.322 -7.024 1.00 0.00 C ATOM 251 C GLU A 107 -10.101 4.798 -6.256 1.00 0.00 C ATOM 252 O GLU A 107 -11.166 4.575 -6.834 1.00 0.00 O ATOM 253 CB GLU A 107 -9.104 5.130 -8.528 1.00 0.00 C ATOM 254 CG GLU A 107 -9.151 3.671 -8.954 1.00 0.00 C ATOM 255 CD GLU A 107 -9.379 3.503 -10.444 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.494 4.529 -11.148 1.00 0.00 O ATOM 257 OE2 GLU A 107 -9.443 2.345 -10.909 1.00 0.00 O ATOM 0 H GLU A 107 -7.362 3.900 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.788 6.386 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.035 5.615 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.300 5.632 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.215 3.186 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.947 3.163 -8.409 1.00 0.00 H new ATOM 264 N ASN A 108 -9.934 4.609 -4.952 1.00 0.00 N ATOM 265 CA ASN A 108 -11.011 4.116 -4.104 1.00 0.00 C ATOM 266 C ASN A 108 -10.817 4.573 -2.661 1.00 0.00 C ATOM 267 O ASN A 108 -11.788 4.778 -1.932 1.00 0.00 O ATOM 268 CB ASN A 108 -11.097 2.583 -4.150 1.00 0.00 C ATOM 269 CG ASN A 108 -11.299 2.038 -5.550 1.00 0.00 C ATOM 270 OD1 ASN A 108 -10.404 2.102 -6.393 1.00 0.00 O ATOM 271 ND2 ASN A 108 -12.485 1.499 -5.807 1.00 0.00 N ATOM 0 H ASN A 108 -9.060 4.791 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.943 4.530 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.183 2.162 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.920 2.253 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.682 1.118 -6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.199 1.466 -5.079 1.00 0.00 H new ATOM 278 N GLY A 109 -9.560 4.723 -2.250 1.00 0.00 N ATOM 279 CA GLY A 109 -9.274 5.148 -0.892 1.00 0.00 C ATOM 280 C GLY A 109 -7.942 5.855 -0.757 1.00 0.00 C ATOM 281 O GLY A 109 -7.490 6.535 -1.679 1.00 0.00 O ATOM 0 H GLY A 109 -8.738 4.558 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.067 5.813 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.284 4.278 -0.236 1.00 0.00 H new ATOM 285 N LYS A 110 -7.321 5.695 0.404 1.00 0.00 N ATOM 286 CA LYS A 110 -6.033 6.322 0.687 1.00 0.00 C ATOM 287 C LYS A 110 -5.050 5.307 1.257 1.00 0.00 C ATOM 288 O LYS A 110 -5.407 4.495 2.111 1.00 0.00 O ATOM 289 CB LYS A 110 -6.203 7.467 1.685 1.00 0.00 C ATOM 290 CG LYS A 110 -7.176 8.544 1.237 1.00 0.00 C ATOM 291 CD LYS A 110 -7.299 9.647 2.277 1.00 0.00 C ATOM 292 CE LYS A 110 -5.987 10.394 2.461 1.00 0.00 C ATOM 293 NZ LYS A 110 -6.102 11.480 3.472 1.00 0.00 N ATOM 0 H LYS A 110 -7.690 5.133 1.171 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.641 6.712 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.544 7.058 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.230 7.924 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.840 8.969 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.155 8.100 1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.077 10.347 1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.610 9.217 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.211 9.693 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.674 10.818 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.186 11.964 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.825 12.163 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.375 11.073 4.389 1.00 0.00 H new ATOM 307 N VAL A 111 -3.808 5.363 0.789 1.00 0.00 N ATOM 308 CA VAL A 111 -2.777 4.452 1.265 1.00 0.00 C ATOM 309 C VAL A 111 -1.762 5.187 2.135 1.00 0.00 C ATOM 310 O VAL A 111 -1.125 6.143 1.692 1.00 0.00 O ATOM 311 CB VAL A 111 -2.040 3.774 0.096 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.972 2.823 0.613 1.00 0.00 C ATOM 313 CG2 VAL A 111 -3.027 3.041 -0.800 1.00 0.00 C ATOM 0 H VAL A 111 -3.493 6.028 0.083 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.277 3.686 1.858 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.548 4.546 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.463 2.354 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.249 3.378 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.437 2.054 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.490 2.567 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.549 2.279 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.751 3.751 -1.201 1.00 0.00 H new ATOM 323 N PHE A 112 -1.614 4.730 3.373 1.00 0.00 N ATOM 324 CA PHE A 112 -0.673 5.335 4.309 1.00 0.00 C ATOM 325 C PHE A 112 0.761 5.061 3.876 1.00 0.00 C ATOM 326 O PHE A 112 1.151 3.910 3.684 1.00 0.00 O ATOM 327 CB PHE A 112 -0.920 4.801 5.723 1.00 0.00 C ATOM 328 CG PHE A 112 -2.166 5.347 6.368 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.322 5.553 5.629 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.178 5.661 7.718 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.464 6.059 6.223 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.316 6.168 8.317 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.459 6.367 7.569 1.00 0.00 C ATOM 0 H PHE A 112 -2.135 3.940 3.753 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.828 6.414 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.988 3.714 5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.061 5.044 6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.330 5.315 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.287 5.508 8.309 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.357 6.213 5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.311 6.408 9.370 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.348 6.763 8.036 1.00 0.00 H new ATOM 343 N LEU A 113 1.539 6.128 3.708 1.00 0.00 N ATOM 344 CA LEU A 113 2.928 6.002 3.278 1.00 0.00 C ATOM 345 C LEU A 113 3.896 6.105 4.452 1.00 0.00 C ATOM 346 O LEU A 113 3.707 6.902 5.371 1.00 0.00 O ATOM 347 CB LEU A 113 3.250 7.070 2.218 1.00 0.00 C ATOM 348 CG LEU A 113 4.688 7.071 1.666 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.652 7.725 2.646 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.142 5.656 1.338 1.00 0.00 C ATOM 0 H LEU A 113 1.231 7.088 3.863 1.00 0.00 H new ATOM 0 HA LEU A 113 3.054 5.012 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.563 6.941 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.048 8.051 2.648 1.00 0.00 H new ATOM 0 HG LEU A 113 4.690 7.656 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.659 7.711 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.347 8.756 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.641 7.176 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.160 5.681 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.113 5.046 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.478 5.226 0.588 1.00 0.00 H new ATOM 362 N THR A 114 4.949 5.298 4.386 1.00 0.00 N ATOM 363 CA THR A 114 5.989 5.277 5.404 1.00 0.00 C ATOM 364 C THR A 114 7.266 4.707 4.793 1.00 0.00 C ATOM 365 O THR A 114 7.958 3.880 5.390 1.00 0.00 O ATOM 366 CB THR A 114 5.578 4.440 6.634 1.00 0.00 C ATOM 367 OG1 THR A 114 4.280 4.846 7.088 1.00 0.00 O ATOM 368 CG2 THR A 114 6.580 4.608 7.767 1.00 0.00 C ATOM 0 H THR A 114 5.104 4.639 3.623 1.00 0.00 H new ATOM 0 HA THR A 114 6.152 6.299 5.747 1.00 0.00 H new ATOM 0 HB THR A 114 5.556 3.391 6.338 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.024 4.310 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.267 4.008 8.621 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.564 4.279 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.627 5.657 8.058 1.00 0.00 H new ATOM 376 N GLY A 115 7.548 5.158 3.574 1.00 0.00 N ATOM 377 CA GLY A 115 8.717 4.708 2.845 1.00 0.00 C ATOM 378 C GLY A 115 8.599 5.003 1.363 1.00 0.00 C ATOM 379 O GLY A 115 7.992 4.234 0.617 1.00 0.00 O ATOM 0 H GLY A 115 6.976 5.838 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.606 5.197 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.849 3.636 2.994 1.00 0.00 H new ATOM 383 N GLY A 116 9.173 6.123 0.938 1.00 0.00 N ATOM 384 CA GLY A 116 9.113 6.502 -0.461 1.00 0.00 C ATOM 385 C GLY A 116 10.170 7.524 -0.827 1.00 0.00 C ATOM 386 O GLY A 116 9.894 8.485 -1.545 1.00 0.00 O ATOM 0 H GLY A 116 9.679 6.775 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.239 5.614 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.126 6.908 -0.683 1.00 0.00 H new ATOM 390 N ASP A 117 11.386 7.308 -0.333 1.00 0.00 N ATOM 391 CA ASP A 117 12.500 8.206 -0.605 1.00 0.00 C ATOM 392 C ASP A 117 13.802 7.629 -0.058 1.00 0.00 C ATOM 393 O ASP A 117 14.684 8.365 0.384 1.00 0.00 O ATOM 394 CB ASP A 117 12.237 9.583 0.011 1.00 0.00 C ATOM 395 CG ASP A 117 12.025 9.523 1.513 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.080 8.411 2.079 1.00 0.00 O ATOM 397 OD2 ASP A 117 11.802 10.590 2.122 1.00 0.00 O ATOM 0 H ASP A 117 11.624 6.514 0.261 1.00 0.00 H new ATOM 0 HA ASP A 117 12.595 8.315 -1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.079 10.241 -0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.358 10.024 -0.458 1.00 0.00 H new ATOM 402 N LEU A 118 13.910 6.303 -0.096 1.00 0.00 N ATOM 403 CA LEU A 118 15.090 5.607 0.391 1.00 0.00 C ATOM 404 C LEU A 118 15.430 4.430 -0.518 1.00 0.00 C ATOM 405 O LEU A 118 14.538 3.733 -1.002 1.00 0.00 O ATOM 406 CB LEU A 118 14.855 5.108 1.816 1.00 0.00 C ATOM 407 CG LEU A 118 14.498 6.192 2.834 1.00 0.00 C ATOM 408 CD1 LEU A 118 14.221 5.572 4.195 1.00 0.00 C ATOM 409 CD2 LEU A 118 15.613 7.220 2.930 1.00 0.00 C ATOM 0 H LEU A 118 13.185 5.687 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 118 15.927 6.305 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.053 4.370 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.754 4.594 2.157 1.00 0.00 H new ATOM 0 HG LEU A 118 13.594 6.699 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.969 6.357 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.388 4.874 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.108 5.040 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.342 7.984 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.534 6.729 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.764 7.685 1.956 1.00 0.00 H new ATOM 421 N PRO A 119 16.727 4.199 -0.767 1.00 0.00 N ATOM 422 CA PRO A 119 17.182 3.106 -1.629 1.00 0.00 C ATOM 423 C PRO A 119 16.603 1.754 -1.225 1.00 0.00 C ATOM 424 O PRO A 119 16.871 1.253 -0.132 1.00 0.00 O ATOM 425 CB PRO A 119 18.701 3.107 -1.438 1.00 0.00 C ATOM 426 CG PRO A 119 19.034 4.497 -1.018 1.00 0.00 C ATOM 427 CD PRO A 119 17.850 4.992 -0.235 1.00 0.00 C ATOM 0 HA PRO A 119 16.864 3.253 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.005 2.383 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.215 2.839 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.938 4.514 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.221 5.131 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.982 4.833 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.691 6.060 -0.381 1.00 0.00 H new ATOM 435 N ALA A 120 15.825 1.165 -2.134 1.00 0.00 N ATOM 436 CA ALA A 120 15.207 -0.144 -1.919 1.00 0.00 C ATOM 437 C ALA A 120 14.077 -0.111 -0.889 1.00 0.00 C ATOM 438 O ALA A 120 13.075 -0.808 -1.051 1.00 0.00 O ATOM 439 CB ALA A 120 16.257 -1.167 -1.514 1.00 0.00 C ATOM 0 H ALA A 120 15.606 1.581 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 120 14.759 -0.436 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.781 -2.135 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.004 -1.253 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.740 -0.847 -0.591 1.00 0.00 H new ATOM 445 N LEU A 121 14.239 0.677 0.172 1.00 0.00 N ATOM 446 CA LEU A 121 13.221 0.760 1.216 1.00 0.00 C ATOM 447 C LEU A 121 13.040 -0.589 1.904 1.00 0.00 C ATOM 448 O LEU A 121 11.931 -1.121 1.967 1.00 0.00 O ATOM 449 CB LEU A 121 11.888 1.238 0.636 1.00 0.00 C ATOM 450 CG LEU A 121 11.807 2.736 0.345 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.557 3.055 -0.459 1.00 0.00 C ATOM 452 CD2 LEU A 121 11.823 3.527 1.643 1.00 0.00 C ATOM 0 H LEU A 121 15.059 1.263 0.331 1.00 0.00 H new ATOM 0 HA LEU A 121 13.558 1.485 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.696 0.693 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.092 0.975 1.332 1.00 0.00 H new ATOM 0 HG LEU A 121 12.677 3.023 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.515 4.126 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.584 2.512 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.674 2.756 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 121 11.765 4.592 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.970 3.237 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.746 3.319 2.184 1.00 0.00 H new ATOM 464 N ASP A 122 14.140 -1.135 2.418 1.00 0.00 N ATOM 465 CA ASP A 122 14.113 -2.423 3.107 1.00 0.00 C ATOM 466 C ASP A 122 13.534 -2.269 4.514 1.00 0.00 C ATOM 467 O ASP A 122 14.113 -2.739 5.494 1.00 0.00 O ATOM 468 CB ASP A 122 15.525 -3.014 3.177 1.00 0.00 C ATOM 469 CG ASP A 122 15.542 -4.424 3.738 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.452 -4.961 4.033 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.644 -4.993 3.877 1.00 0.00 O ATOM 0 H ASP A 122 15.063 -0.704 2.370 1.00 0.00 H new ATOM 0 HA ASP A 122 13.473 -3.103 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.962 -3.019 2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.152 -2.373 3.796 1.00 0.00 H new ATOM 476 N GLY A 123 12.391 -1.598 4.604 1.00 0.00 N ATOM 477 CA GLY A 123 11.748 -1.376 5.882 1.00 0.00 C ATOM 478 C GLY A 123 10.451 -0.607 5.733 1.00 0.00 C ATOM 479 O GLY A 123 9.597 -0.633 6.619 1.00 0.00 O ATOM 0 H GLY A 123 11.896 -1.201 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.549 -2.335 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.423 -0.827 6.538 1.00 0.00 H new ATOM 483 N ALA A 124 10.316 0.083 4.604 1.00 0.00 N ATOM 484 CA ALA A 124 9.127 0.877 4.313 1.00 0.00 C ATOM 485 C ALA A 124 7.848 0.092 4.576 1.00 0.00 C ATOM 486 O ALA A 124 7.782 -1.111 4.325 1.00 0.00 O ATOM 487 CB ALA A 124 9.161 1.352 2.869 1.00 0.00 C ATOM 0 H ALA A 124 11.023 0.108 3.869 1.00 0.00 H new ATOM 0 HA ALA A 124 9.130 1.739 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.270 1.944 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.049 1.963 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.188 0.490 2.203 1.00 0.00 H new ATOM 493 N ARG A 125 6.834 0.784 5.084 1.00 0.00 N ATOM 494 CA ARG A 125 5.551 0.156 5.381 1.00 0.00 C ATOM 495 C ARG A 125 4.396 1.039 4.921 1.00 0.00 C ATOM 496 O ARG A 125 4.452 2.262 5.038 1.00 0.00 O ATOM 497 CB ARG A 125 5.426 -0.125 6.881 1.00 0.00 C ATOM 498 CG ARG A 125 6.468 -1.096 7.410 1.00 0.00 C ATOM 499 CD ARG A 125 6.245 -1.406 8.882 1.00 0.00 C ATOM 500 NE ARG A 125 6.347 -0.214 9.717 1.00 0.00 N ATOM 501 CZ ARG A 125 6.175 -0.221 11.036 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.889 -1.352 11.666 1.00 0.00 N ATOM 503 NH2 ARG A 125 6.291 0.905 11.727 1.00 0.00 N ATOM 0 H ARG A 125 6.875 1.780 5.299 1.00 0.00 H new ATOM 0 HA ARG A 125 5.505 -0.788 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.509 0.815 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.433 -0.525 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.432 -2.020 6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.463 -0.673 7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.261 -1.856 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.978 -2.142 9.212 1.00 0.00 H new ATOM 0 HE ARG A 125 6.562 0.674 9.264 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.800 -2.221 11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.758 -1.353 12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 125 6.512 1.777 11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 125 6.159 0.899 12.738 1.00 0.00 H new ATOM 517 N VAL A 126 3.351 0.411 4.393 1.00 0.00 N ATOM 518 CA VAL A 126 2.185 1.142 3.914 1.00 0.00 C ATOM 519 C VAL A 126 0.896 0.433 4.317 1.00 0.00 C ATOM 520 O VAL A 126 0.787 -0.790 4.211 1.00 0.00 O ATOM 521 CB VAL A 126 2.210 1.304 2.380 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.443 2.080 1.944 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.152 -0.052 1.696 1.00 0.00 C ATOM 0 H VAL A 126 3.288 -0.601 4.286 1.00 0.00 H new ATOM 0 HA VAL A 126 2.218 2.130 4.374 1.00 0.00 H new ATOM 0 HB VAL A 126 1.329 1.871 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.443 2.184 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.432 3.069 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.339 1.545 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.171 0.085 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.011 -0.650 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.233 -0.564 1.981 1.00 0.00 H new ATOM 533 N GLU A 127 -0.076 1.207 4.785 1.00 0.00 N ATOM 534 CA GLU A 127 -1.355 0.648 5.206 1.00 0.00 C ATOM 535 C GLU A 127 -2.485 1.122 4.300 1.00 0.00 C ATOM 536 O GLU A 127 -2.828 2.303 4.279 1.00 0.00 O ATOM 537 CB GLU A 127 -1.646 1.029 6.656 1.00 0.00 C ATOM 538 CG GLU A 127 -0.684 0.398 7.647 1.00 0.00 C ATOM 539 CD GLU A 127 -0.970 0.802 9.080 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.084 0.515 9.566 1.00 0.00 O ATOM 541 OE2 GLU A 127 -0.080 1.405 9.716 1.00 0.00 O ATOM 0 H GLU A 127 -0.004 2.220 4.882 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.292 -0.438 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.600 2.113 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.663 0.729 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.741 -0.687 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.336 0.685 7.390 1.00 0.00 H new ATOM 548 N PHE A 128 -3.062 0.185 3.557 1.00 0.00 N ATOM 549 CA PHE A 128 -4.157 0.494 2.647 1.00 0.00 C ATOM 550 C PHE A 128 -5.470 0.651 3.401 1.00 0.00 C ATOM 551 O PHE A 128 -5.708 -0.017 4.406 1.00 0.00 O ATOM 552 CB PHE A 128 -4.305 -0.594 1.577 1.00 0.00 C ATOM 553 CG PHE A 128 -3.103 -0.745 0.687 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.876 -1.125 1.210 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.201 -0.507 -0.674 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.772 -1.263 0.391 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.100 -0.644 -1.497 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.884 -1.023 -0.963 1.00 0.00 C ATOM 0 H PHE A 128 -2.788 -0.798 3.567 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.917 1.439 2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.503 -1.547 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.174 -0.367 0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.783 -1.315 2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.150 -0.211 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.178 -1.559 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.190 -0.455 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.022 -1.131 -1.604 1.00 0.00 H new ATOM 568 N ARG A 129 -6.322 1.533 2.897 1.00 0.00 N ATOM 569 CA ARG A 129 -7.621 1.785 3.502 1.00 0.00 C ATOM 570 C ARG A 129 -8.568 2.391 2.474 1.00 0.00 C ATOM 571 O ARG A 129 -8.225 3.356 1.794 1.00 0.00 O ATOM 572 CB ARG A 129 -7.482 2.717 4.709 1.00 0.00 C ATOM 573 CG ARG A 129 -8.808 3.136 5.314 1.00 0.00 C ATOM 574 CD ARG A 129 -8.612 4.057 6.508 1.00 0.00 C ATOM 575 NE ARG A 129 -9.879 4.587 7.010 1.00 0.00 N ATOM 576 CZ ARG A 129 -10.850 3.834 7.520 1.00 0.00 C ATOM 577 NH1 ARG A 129 -10.698 2.520 7.619 1.00 0.00 N ATOM 578 NH2 ARG A 129 -11.976 4.398 7.938 1.00 0.00 N ATOM 0 H ARG A 129 -6.134 2.090 2.063 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.033 0.836 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.885 2.220 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.933 3.609 4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.410 3.641 4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.363 2.251 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.106 3.513 7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.961 4.884 6.224 1.00 0.00 H new ATOM 0 HE ARG A 129 -10.027 5.595 6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.833 2.081 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -11.446 1.948 8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.097 5.408 7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -12.721 3.821 8.329 1.00 0.00 H new ATOM 592 N CYS A 130 -9.754 1.808 2.358 1.00 0.00 N ATOM 593 CA CYS A 130 -10.743 2.283 1.398 1.00 0.00 C ATOM 594 C CYS A 130 -11.630 3.361 2.014 1.00 0.00 C ATOM 595 O CYS A 130 -12.031 3.263 3.174 1.00 0.00 O ATOM 596 CB CYS A 130 -11.604 1.117 0.912 1.00 0.00 C ATOM 597 SG CYS A 130 -10.649 -0.330 0.348 1.00 0.00 S ATOM 0 H CYS A 130 -10.054 1.008 2.915 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.212 2.718 0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.268 0.808 1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.236 1.463 0.094 1.00 0.00 H new ATOM 602 N ASP A 131 -11.930 4.389 1.225 1.00 0.00 N ATOM 603 CA ASP A 131 -12.771 5.496 1.676 1.00 0.00 C ATOM 604 C ASP A 131 -14.089 4.989 2.253 1.00 0.00 C ATOM 605 O ASP A 131 -14.574 3.930 1.858 1.00 0.00 O ATOM 606 CB ASP A 131 -13.050 6.456 0.519 1.00 0.00 C ATOM 607 CG ASP A 131 -11.826 7.259 0.119 1.00 0.00 C ATOM 608 OD1 ASP A 131 -10.784 7.131 0.795 1.00 0.00 O ATOM 609 OD2 ASP A 131 -11.915 8.025 -0.864 1.00 0.00 O ATOM 0 H ASP A 131 -11.601 4.479 0.264 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.232 6.025 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.405 5.889 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.851 7.139 0.803 1.00 0.00 H new ATOM 614 N PRO A 132 -14.681 5.745 3.201 1.00 0.00 N ATOM 615 CA PRO A 132 -15.954 5.377 3.841 1.00 0.00 C ATOM 616 C PRO A 132 -17.052 5.079 2.824 1.00 0.00 C ATOM 617 O PRO A 132 -17.932 5.905 2.578 1.00 0.00 O ATOM 618 CB PRO A 132 -16.310 6.617 4.665 1.00 0.00 C ATOM 619 CG PRO A 132 -15.003 7.279 4.934 1.00 0.00 C ATOM 620 CD PRO A 132 -14.153 7.019 3.724 1.00 0.00 C ATOM 0 HA PRO A 132 -15.862 4.467 4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.983 7.277 4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.815 6.345 5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.133 8.349 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.538 6.874 5.833 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.241 7.821 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.097 6.940 3.984 1.00 0.00 H new ATOM 628 N ASP A 133 -16.982 3.890 2.236 1.00 0.00 N ATOM 629 CA ASP A 133 -17.944 3.450 1.237 1.00 0.00 C ATOM 630 C ASP A 133 -17.588 2.042 0.776 1.00 0.00 C ATOM 631 O ASP A 133 -18.455 1.184 0.615 1.00 0.00 O ATOM 632 CB ASP A 133 -17.955 4.409 0.042 1.00 0.00 C ATOM 633 CG ASP A 133 -19.004 4.047 -0.994 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.752 3.073 -0.769 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.079 4.742 -2.028 1.00 0.00 O ATOM 0 H ASP A 133 -16.255 3.204 2.440 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.939 3.445 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.137 5.423 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -16.971 4.408 -0.428 1.00 0.00 H new ATOM 640 N PHE A 134 -16.292 1.816 0.581 1.00 0.00 N ATOM 641 CA PHE A 134 -15.786 0.518 0.157 1.00 0.00 C ATOM 642 C PHE A 134 -15.016 -0.144 1.293 1.00 0.00 C ATOM 643 O PHE A 134 -14.283 0.522 2.022 1.00 0.00 O ATOM 644 CB PHE A 134 -14.866 0.665 -1.059 1.00 0.00 C ATOM 645 CG PHE A 134 -15.536 1.222 -2.284 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.084 2.496 -2.279 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.605 0.471 -3.445 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.692 3.006 -3.410 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.211 0.976 -4.579 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.756 2.245 -4.562 1.00 0.00 C ATOM 0 H PHE A 134 -15.569 2.523 0.712 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.639 -0.104 -0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.031 1.312 -0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.447 -0.311 -1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.035 3.095 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.180 -0.522 -3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.117 3.999 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.259 0.379 -5.478 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.231 2.642 -5.447 1.00 0.00 H new ATOM 660 N HIS A 135 -15.174 -1.454 1.439 1.00 0.00 N ATOM 661 CA HIS A 135 -14.470 -2.183 2.486 1.00 0.00 C ATOM 662 C HIS A 135 -13.283 -2.944 1.904 1.00 0.00 C ATOM 663 O HIS A 135 -13.425 -3.691 0.934 1.00 0.00 O ATOM 664 CB HIS A 135 -15.419 -3.139 3.219 1.00 0.00 C ATOM 665 CG HIS A 135 -16.100 -4.133 2.328 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.940 -3.769 1.297 1.00 0.00 N ATOM 667 CD2 HIS A 135 -16.070 -5.486 2.327 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.398 -4.856 0.701 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.885 -5.910 1.306 1.00 0.00 N ATOM 0 H HIS A 135 -15.778 -2.029 0.851 1.00 0.00 H new ATOM 0 HA HIS A 135 -14.093 -1.460 3.209 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.856 -3.677 3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -16.178 -2.553 3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.510 -6.115 3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.077 -4.878 -0.139 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -17.065 -6.882 1.056 1.00 0.00 H new ATOM 678 N LEU A 136 -12.110 -2.738 2.500 1.00 0.00 N ATOM 679 CA LEU A 136 -10.888 -3.393 2.045 1.00 0.00 C ATOM 680 C LEU A 136 -10.863 -4.843 2.520 1.00 0.00 C ATOM 681 O LEU A 136 -11.085 -5.123 3.699 1.00 0.00 O ATOM 682 CB LEU A 136 -9.663 -2.625 2.562 1.00 0.00 C ATOM 683 CG LEU A 136 -8.324 -2.982 1.904 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.863 -4.364 2.328 1.00 0.00 C ATOM 685 CD2 LEU A 136 -8.433 -2.896 0.388 1.00 0.00 C ATOM 0 H LEU A 136 -11.981 -2.120 3.302 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.862 -3.392 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.841 -1.559 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.576 -2.797 3.635 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.579 -2.259 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -6.912 -4.593 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.739 -4.390 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.607 -5.103 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.473 -3.153 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.195 -3.592 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.709 -1.881 0.100 1.00 0.00 H new ATOM 697 N VAL A 137 -10.612 -5.766 1.594 1.00 0.00 N ATOM 698 CA VAL A 137 -10.582 -7.187 1.923 1.00 0.00 C ATOM 699 C VAL A 137 -9.408 -7.903 1.260 1.00 0.00 C ATOM 700 O VAL A 137 -9.599 -8.672 0.316 1.00 0.00 O ATOM 701 CB VAL A 137 -11.888 -7.879 1.490 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.907 -9.332 1.946 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.097 -7.130 2.028 1.00 0.00 C ATOM 0 H VAL A 137 -10.427 -5.555 0.613 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.468 -7.251 3.005 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.935 -7.865 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.839 -9.801 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.065 -9.863 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.831 -9.373 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.009 -7.635 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.055 -7.106 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.094 -6.110 1.643 1.00 0.00 H new ATOM 713 N GLY A 138 -8.195 -7.661 1.744 1.00 0.00 N ATOM 714 CA GLY A 138 -7.046 -8.319 1.158 1.00 0.00 C ATOM 715 C GLY A 138 -5.745 -7.974 1.844 1.00 0.00 C ATOM 716 O GLY A 138 -5.667 -7.956 3.073 1.00 0.00 O ATOM 0 H GLY A 138 -7.990 -7.031 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.195 -9.398 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.977 -8.045 0.105 1.00 0.00 H new ATOM 720 N SER A 139 -4.721 -7.709 1.042 1.00 0.00 N ATOM 721 CA SER A 139 -3.408 -7.366 1.553 1.00 0.00 C ATOM 722 C SER A 139 -3.378 -5.928 2.056 1.00 0.00 C ATOM 723 O SER A 139 -2.541 -5.131 1.632 1.00 0.00 O ATOM 724 CB SER A 139 -2.364 -7.562 0.461 1.00 0.00 C ATOM 725 OG SER A 139 -2.303 -8.916 0.047 1.00 0.00 O ATOM 0 H SER A 139 -4.781 -7.727 0.024 1.00 0.00 H new ATOM 0 HA SER A 139 -3.180 -8.023 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.604 -6.928 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.387 -7.247 0.827 1.00 0.00 H new ATOM 0 HG SER A 139 -1.886 -8.969 -0.838 1.00 0.00 H new ATOM 731 N SER A 140 -4.297 -5.607 2.959 1.00 0.00 N ATOM 732 CA SER A 140 -4.387 -4.276 3.524 1.00 0.00 C ATOM 733 C SER A 140 -3.008 -3.783 3.956 1.00 0.00 C ATOM 734 O SER A 140 -2.679 -2.610 3.799 1.00 0.00 O ATOM 735 CB SER A 140 -5.352 -4.295 4.707 1.00 0.00 C ATOM 736 OG SER A 140 -4.849 -5.092 5.766 1.00 0.00 O ATOM 0 H SER A 140 -4.994 -6.261 3.315 1.00 0.00 H new ATOM 0 HA SER A 140 -4.764 -3.587 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.518 -3.277 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.319 -4.682 4.385 1.00 0.00 H new ATOM 0 HG SER A 140 -5.485 -5.085 6.511 1.00 0.00 H new ATOM 742 N ARG A 141 -2.201 -4.697 4.486 1.00 0.00 N ATOM 743 CA ARG A 141 -0.849 -4.370 4.925 1.00 0.00 C ATOM 744 C ARG A 141 0.173 -4.783 3.865 1.00 0.00 C ATOM 745 O ARG A 141 0.059 -5.853 3.272 1.00 0.00 O ATOM 746 CB ARG A 141 -0.541 -5.065 6.253 1.00 0.00 C ATOM 747 CG ARG A 141 0.865 -4.808 6.769 1.00 0.00 C ATOM 748 CD ARG A 141 1.100 -5.495 8.104 1.00 0.00 C ATOM 749 NE ARG A 141 2.466 -5.312 8.587 1.00 0.00 N ATOM 750 CZ ARG A 141 2.993 -4.129 8.898 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.265 -3.025 8.792 1.00 0.00 N ATOM 752 NH2 ARG A 141 4.247 -4.052 9.321 1.00 0.00 N ATOM 0 H ARG A 141 -2.462 -5.674 4.622 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.784 -3.291 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -1.259 -4.731 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.683 -6.139 6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 141 1.593 -5.166 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.024 -3.735 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.400 -5.101 8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 141 0.892 -6.560 8.004 1.00 0.00 H new ATOM 0 HE ARG A 141 3.052 -6.140 8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.298 -3.080 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.672 -2.121 9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 141 4.809 -4.899 9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 141 4.650 -3.146 9.559 1.00 0.00 H new ATOM 766 N SER A 142 1.166 -3.928 3.629 1.00 0.00 N ATOM 767 CA SER A 142 2.204 -4.205 2.635 1.00 0.00 C ATOM 768 C SER A 142 3.519 -3.539 3.030 1.00 0.00 C ATOM 769 O SER A 142 3.546 -2.360 3.381 1.00 0.00 O ATOM 770 CB SER A 142 1.764 -3.702 1.258 1.00 0.00 C ATOM 771 OG SER A 142 2.758 -3.954 0.281 1.00 0.00 O ATOM 0 H SER A 142 1.275 -3.036 4.112 1.00 0.00 H new ATOM 0 HA SER A 142 2.357 -5.283 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.834 -4.191 0.969 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.560 -2.632 1.306 1.00 0.00 H new ATOM 0 HG SER A 142 3.360 -4.658 0.601 1.00 0.00 H new ATOM 777 N VAL A 143 4.609 -4.301 2.974 1.00 0.00 N ATOM 778 CA VAL A 143 5.925 -3.780 3.329 1.00 0.00 C ATOM 779 C VAL A 143 6.877 -3.820 2.137 1.00 0.00 C ATOM 780 O VAL A 143 7.051 -4.861 1.504 1.00 0.00 O ATOM 781 CB VAL A 143 6.545 -4.576 4.496 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.967 -4.110 4.775 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.682 -4.452 5.743 1.00 0.00 C ATOM 0 H VAL A 143 4.606 -5.280 2.687 1.00 0.00 H new ATOM 0 HA VAL A 143 5.782 -2.744 3.638 1.00 0.00 H new ATOM 0 HB VAL A 143 6.586 -5.627 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.383 -4.686 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.579 -4.258 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.958 -3.052 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 143 6.134 -5.020 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.607 -3.403 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.686 -4.844 5.537 1.00 0.00 H new ATOM 793 N CYS A 144 7.491 -2.680 1.838 1.00 0.00 N ATOM 794 CA CYS A 144 8.428 -2.585 0.724 1.00 0.00 C ATOM 795 C CYS A 144 9.728 -3.318 1.038 1.00 0.00 C ATOM 796 O CYS A 144 10.232 -3.257 2.160 1.00 0.00 O ATOM 797 CB CYS A 144 8.721 -1.121 0.396 1.00 0.00 C ATOM 798 SG CYS A 144 9.836 -0.887 -1.026 1.00 0.00 S ATOM 0 H CYS A 144 7.357 -1.809 2.351 1.00 0.00 H new ATOM 0 HA CYS A 144 7.967 -3.058 -0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.780 -0.609 0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 144 9.161 -0.645 1.272 1.00 0.00 H new ATOM 803 N SER A 145 10.268 -4.008 0.037 1.00 0.00 N ATOM 804 CA SER A 145 11.514 -4.750 0.200 1.00 0.00 C ATOM 805 C SER A 145 12.039 -5.220 -1.152 1.00 0.00 C ATOM 806 O SER A 145 11.305 -5.819 -1.938 1.00 0.00 O ATOM 807 CB SER A 145 11.300 -5.953 1.122 1.00 0.00 C ATOM 808 OG SER A 145 10.326 -6.835 0.593 1.00 0.00 O ATOM 0 H SER A 145 9.861 -4.069 -0.896 1.00 0.00 H new ATOM 0 HA SER A 145 12.251 -4.085 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.242 -6.485 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.986 -5.608 2.107 1.00 0.00 H new ATOM 0 HG SER A 145 10.368 -6.819 -0.386 1.00 0.00 H new ATOM 814 N GLN A 146 13.313 -4.940 -1.418 1.00 0.00 N ATOM 815 CA GLN A 146 13.935 -5.327 -2.679 1.00 0.00 C ATOM 816 C GLN A 146 13.158 -4.748 -3.858 1.00 0.00 C ATOM 817 O GLN A 146 12.962 -5.412 -4.875 1.00 0.00 O ATOM 818 CB GLN A 146 14.001 -6.853 -2.791 1.00 0.00 C ATOM 819 CG GLN A 146 14.739 -7.515 -1.639 1.00 0.00 C ATOM 820 CD GLN A 146 14.766 -9.026 -1.754 1.00 0.00 C ATOM 821 OE1 GLN A 146 13.721 -9.676 -1.794 1.00 0.00 O ATOM 822 NE2 GLN A 146 15.964 -9.595 -1.806 1.00 0.00 N ATOM 0 H GLN A 146 13.933 -4.447 -0.776 1.00 0.00 H new ATOM 0 HA GLN A 146 14.949 -4.928 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.987 -7.250 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.492 -7.120 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.761 -7.139 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.264 -7.235 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.805 -9.018 -1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.044 -10.609 -1.882 1.00 0.00 H new ATOM 831 N GLY A 147 12.714 -3.503 -3.703 1.00 0.00 N ATOM 832 CA GLY A 147 11.956 -2.842 -4.749 1.00 0.00 C ATOM 833 C GLY A 147 10.683 -3.592 -5.104 1.00 0.00 C ATOM 834 O GLY A 147 10.143 -3.429 -6.198 1.00 0.00 O ATOM 0 H GLY A 147 12.867 -2.939 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.702 -1.832 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.578 -2.746 -5.639 1.00 0.00 H new ATOM 838 N GLN A 148 10.203 -4.412 -4.171 1.00 0.00 N ATOM 839 CA GLN A 148 8.984 -5.188 -4.378 1.00 0.00 C ATOM 840 C GLN A 148 8.167 -5.263 -3.090 1.00 0.00 C ATOM 841 O GLN A 148 8.705 -5.552 -2.022 1.00 0.00 O ATOM 842 CB GLN A 148 9.329 -6.599 -4.861 1.00 0.00 C ATOM 843 CG GLN A 148 8.111 -7.458 -5.167 1.00 0.00 C ATOM 844 CD GLN A 148 7.288 -6.920 -6.322 1.00 0.00 C ATOM 845 OE1 GLN A 148 6.767 -5.806 -6.265 1.00 0.00 O ATOM 846 NE2 GLN A 148 7.167 -7.714 -7.380 1.00 0.00 N ATOM 0 H GLN A 148 10.642 -4.556 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 148 8.386 -4.688 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.945 -6.526 -5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.931 -7.096 -4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 148 8.436 -8.472 -5.400 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.484 -7.521 -4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.616 -8.630 -7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 148 6.625 -7.408 -8.188 1.00 0.00 H new ATOM 855 N TRP A 149 6.866 -5.003 -3.192 1.00 0.00 N ATOM 856 CA TRP A 149 5.990 -5.045 -2.024 1.00 0.00 C ATOM 857 C TRP A 149 5.810 -6.475 -1.526 1.00 0.00 C ATOM 858 O TRP A 149 5.705 -7.411 -2.319 1.00 0.00 O ATOM 859 CB TRP A 149 4.625 -4.435 -2.346 1.00 0.00 C ATOM 860 CG TRP A 149 4.711 -3.038 -2.876 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.795 -2.665 -4.185 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.745 -1.830 -2.109 1.00 0.00 C ATOM 863 NE1 TRP A 149 4.858 -1.298 -4.280 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.833 -0.762 -3.020 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.703 -1.547 -0.741 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.883 0.568 -2.607 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.754 -0.227 -0.333 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.842 0.815 -1.263 1.00 0.00 C ATOM 0 H TRP A 149 6.397 -4.762 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 149 6.463 -4.458 -1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.118 -5.063 -3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.012 -4.437 -1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 149 4.810 -3.346 -5.023 1.00 0.00 H new ATOM 0 HE1 TRP A 149 4.914 -0.767 -5.149 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.632 -2.344 -0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.952 1.374 -3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.725 0.004 0.722 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.878 1.836 -0.912 1.00 0.00 H new ATOM 879 N SER A 150 5.777 -6.635 -0.206 1.00 0.00 N ATOM 880 CA SER A 150 5.610 -7.949 0.403 1.00 0.00 C ATOM 881 C SER A 150 4.325 -8.616 -0.077 1.00 0.00 C ATOM 882 O SER A 150 4.352 -9.740 -0.578 1.00 0.00 O ATOM 883 CB SER A 150 5.600 -7.832 1.928 1.00 0.00 C ATOM 884 OG SER A 150 6.836 -7.333 2.410 1.00 0.00 O ATOM 0 H SER A 150 5.864 -5.869 0.462 1.00 0.00 H new ATOM 0 HA SER A 150 6.453 -8.569 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.791 -7.171 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.402 -8.809 2.369 1.00 0.00 H new ATOM 0 HG SER A 150 6.858 -6.359 2.307 1.00 0.00 H new ATOM 890 N THR A 151 3.201 -7.920 0.078 1.00 0.00 N ATOM 891 CA THR A 151 1.914 -8.460 -0.346 1.00 0.00 C ATOM 892 C THR A 151 1.306 -7.630 -1.474 1.00 0.00 C ATOM 893 O THR A 151 1.336 -6.400 -1.436 1.00 0.00 O ATOM 894 CB THR A 151 0.917 -8.517 0.824 1.00 0.00 C ATOM 895 OG1 THR A 151 0.650 -7.195 1.300 1.00 0.00 O ATOM 896 CG2 THR A 151 1.462 -9.369 1.961 1.00 0.00 C ATOM 0 H THR A 151 3.156 -6.988 0.491 1.00 0.00 H new ATOM 0 HA THR A 151 2.103 -9.471 -0.706 1.00 0.00 H new ATOM 0 HB THR A 151 -0.007 -8.970 0.464 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.463 -7.225 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.739 -9.394 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.640 -10.383 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.398 -8.941 2.320 1.00 0.00 H new ATOM 904 N PRO A 152 0.739 -8.296 -2.497 1.00 0.00 N ATOM 905 CA PRO A 152 0.117 -7.617 -3.642 1.00 0.00 C ATOM 906 C PRO A 152 -1.018 -6.692 -3.217 1.00 0.00 C ATOM 907 O PRO A 152 -1.778 -7.008 -2.304 1.00 0.00 O ATOM 908 CB PRO A 152 -0.424 -8.767 -4.499 1.00 0.00 C ATOM 909 CG PRO A 152 0.355 -9.965 -4.076 1.00 0.00 C ATOM 910 CD PRO A 152 0.658 -9.763 -2.619 1.00 0.00 C ATOM 0 HA PRO A 152 0.827 -6.979 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.492 -8.913 -4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.290 -8.564 -5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.218 -10.879 -4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.273 -10.060 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.124 -10.178 -1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.593 -10.244 -2.331 1.00 0.00 H new ATOM 918 N LYS A 153 -1.125 -5.547 -3.885 1.00 0.00 N ATOM 919 CA LYS A 153 -2.165 -4.568 -3.577 1.00 0.00 C ATOM 920 C LYS A 153 -3.547 -5.224 -3.527 1.00 0.00 C ATOM 921 O LYS A 153 -3.923 -5.964 -4.436 1.00 0.00 O ATOM 922 CB LYS A 153 -2.152 -3.451 -4.623 1.00 0.00 C ATOM 923 CG LYS A 153 -3.190 -2.370 -4.378 1.00 0.00 C ATOM 924 CD LYS A 153 -3.122 -1.286 -5.442 1.00 0.00 C ATOM 925 CE LYS A 153 -4.146 -0.195 -5.191 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.930 0.481 -3.883 1.00 0.00 N ATOM 0 H LYS A 153 -0.503 -5.273 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.957 -4.147 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.163 -2.994 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.320 -3.886 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.186 -2.814 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -3.032 -1.927 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.122 -0.852 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.292 -1.727 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.095 0.542 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -5.147 -0.625 -5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.661 1.208 -3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.987 -0.220 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.991 0.928 -3.874 1.00 0.00 H new ATOM 940 N PRO A 154 -4.322 -4.958 -2.457 1.00 0.00 N ATOM 941 CA PRO A 154 -5.667 -5.527 -2.291 1.00 0.00 C ATOM 942 C PRO A 154 -6.687 -4.904 -3.239 1.00 0.00 C ATOM 943 O PRO A 154 -6.334 -4.442 -4.325 1.00 0.00 O ATOM 944 CB PRO A 154 -6.014 -5.192 -0.839 1.00 0.00 C ATOM 945 CG PRO A 154 -5.222 -3.967 -0.535 1.00 0.00 C ATOM 946 CD PRO A 154 -3.948 -4.086 -1.325 1.00 0.00 C ATOM 0 HA PRO A 154 -5.688 -6.593 -2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.082 -5.013 -0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.750 -6.011 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.772 -3.068 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.013 -3.893 0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.596 -3.113 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.146 -4.523 -0.730 1.00 0.00 H new ATOM 954 N HIS A 155 -7.953 -4.894 -2.825 1.00 0.00 N ATOM 955 CA HIS A 155 -9.019 -4.324 -3.645 1.00 0.00 C ATOM 956 C HIS A 155 -10.179 -3.839 -2.780 1.00 0.00 C ATOM 957 O HIS A 155 -10.513 -4.458 -1.770 1.00 0.00 O ATOM 958 CB HIS A 155 -9.516 -5.353 -4.663 1.00 0.00 C ATOM 959 CG HIS A 155 -10.080 -6.593 -4.042 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.355 -7.413 -3.202 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.308 -7.156 -4.145 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.112 -8.427 -2.818 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.301 -8.292 -3.376 1.00 0.00 N ATOM 0 H HIS A 155 -8.264 -5.273 -1.930 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.610 -3.466 -4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.280 -4.892 -5.289 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.691 -5.629 -5.319 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.138 -6.780 -4.725 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.809 -9.229 -2.160 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.088 -8.930 -3.255 1.00 0.00 H new ATOM 972 N CYS A 156 -10.793 -2.731 -3.188 1.00 0.00 N ATOM 973 CA CYS A 156 -11.922 -2.167 -2.455 1.00 0.00 C ATOM 974 C CYS A 156 -13.237 -2.591 -3.098 1.00 0.00 C ATOM 975 O CYS A 156 -13.418 -2.452 -4.308 1.00 0.00 O ATOM 976 CB CYS A 156 -11.834 -0.639 -2.427 1.00 0.00 C ATOM 977 SG CYS A 156 -10.334 0.017 -1.627 1.00 0.00 S ATOM 0 H CYS A 156 -10.527 -2.207 -4.022 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.886 -2.543 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.877 -0.266 -3.450 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.708 -0.247 -1.908 1.00 0.00 H new ATOM 982 N GLN A 157 -14.156 -3.107 -2.286 1.00 0.00 N ATOM 983 CA GLN A 157 -15.451 -3.546 -2.792 1.00 0.00 C ATOM 984 C GLN A 157 -16.594 -2.772 -2.148 1.00 0.00 C ATOM 985 O GLN A 157 -16.567 -2.482 -0.953 1.00 0.00 O ATOM 986 CB GLN A 157 -15.647 -5.045 -2.558 1.00 0.00 C ATOM 987 CG GLN A 157 -14.725 -5.922 -3.391 1.00 0.00 C ATOM 988 CD GLN A 157 -14.931 -5.741 -4.883 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.735 -4.653 -5.423 1.00 0.00 O ATOM 990 NE2 GLN A 157 -15.328 -6.813 -5.560 1.00 0.00 N ATOM 0 H GLN A 157 -14.028 -3.230 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.462 -3.348 -3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.484 -5.263 -1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -16.681 -5.306 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.689 -5.692 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -14.891 -6.967 -3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.479 -7.697 -5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.482 -6.752 -6.567 1.00 0.00 H new ATOM 999 N VAL A 158 -17.599 -2.447 -2.952 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.762 -1.716 -2.472 1.00 0.00 C ATOM 1001 C VAL A 158 -19.585 -2.575 -1.516 1.00 0.00 C ATOM 1002 O VAL A 158 -19.823 -3.755 -1.776 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.653 -1.264 -3.645 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.082 -2.464 -4.477 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.863 -0.493 -3.138 1.00 0.00 C ATOM 0 H VAL A 158 -17.630 -2.680 -3.944 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.399 -0.836 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.073 -0.596 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.711 -2.129 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.200 -2.966 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.643 -3.158 -3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.478 -0.184 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.450 -1.131 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.529 0.388 -2.590 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.018 -1.981 -0.407 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.814 -2.702 0.581 1.00 0.00 C ATOM 1017 C ASN A 159 -22.135 -3.169 -0.021 1.00 0.00 C ATOM 1018 O ASN A 159 -22.561 -2.581 -1.038 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.082 -1.821 1.803 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.806 -1.386 2.497 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -19.630 -0.079 2.645 1.00 0.00 O flip ATOM 1022 ND2 ASN A 159 -18.993 -2.216 2.902 1.00 0.00 N flip ATOM 1023 OXT ASN A 159 -22.732 -4.118 0.528 1.00 0.00 O ATOM 0 H ASN A 159 -19.832 -1.006 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.245 -3.578 0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.643 -0.939 1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.708 -2.366 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.170 -3.211 2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.142 -1.909 3.374 1.00 0.00 H new