USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 467 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 135 HIS : no HD1:sc= -0.714 K(o=-1.4,f=-7.1!) USER MOD Set 1.2: A 159 ASN : amide:sc= -0.713 K(o=-1.4,f=-4.4!) USER MOD Set 2.1: A 142 SER OG : rot -72:sc= 1.31 USER MOD Set 2.2: A 151 THR OG1 : rot -136:sc= 1.04 USER MOD Single : A 100 SER OG : rot 180:sc=0.000684 USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0539 (180deg=-0.278) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -1.58! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 150:sc= -0.299 USER MOD Single : A 140 SER OG : rot 39:sc= 0.0694 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN :FLIP amide:sc= -0.428 F(o=-2.6!,f=-0.43) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -162:sc= -0.0375 (180deg=-0.367) USER MOD Single : A 155 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.87) USER MOD Single : A 157 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 18.734 1.505 -6.737 1.00 0.00 N ATOM 80 CA ARG A 97 17.834 0.369 -6.553 1.00 0.00 C ATOM 81 C ARG A 97 16.633 0.776 -5.706 1.00 0.00 C ATOM 82 O ARG A 97 16.241 0.066 -4.778 1.00 0.00 O ATOM 83 CB ARG A 97 18.575 -0.797 -5.893 1.00 0.00 C ATOM 84 CG ARG A 97 19.724 -1.340 -6.726 1.00 0.00 C ATOM 85 CD ARG A 97 20.386 -2.528 -6.050 1.00 0.00 C ATOM 86 NE ARG A 97 19.431 -3.595 -5.765 1.00 0.00 N ATOM 87 CZ ARG A 97 19.760 -4.756 -5.205 1.00 0.00 C ATOM 88 NH1 ARG A 97 21.022 -5.006 -4.882 1.00 0.00 N ATOM 89 NH2 ARG A 97 18.828 -5.668 -4.971 1.00 0.00 N ATOM 0 HA ARG A 97 17.479 0.047 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 97 18.961 -0.471 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.867 -1.602 -5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 97 19.355 -1.637 -7.708 1.00 0.00 H new ATOM 0 HG3 ARG A 97 20.462 -0.554 -6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 97 21.180 -2.913 -6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.854 -2.202 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 97 18.453 -3.441 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.743 -4.307 -5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.272 -5.897 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.857 -5.480 -5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.082 -6.558 -4.542 1.00 0.00 H new ATOM 103 N ILE A 98 16.063 1.931 -6.028 1.00 0.00 N ATOM 104 CA ILE A 98 14.920 2.461 -5.305 1.00 0.00 C ATOM 105 C ILE A 98 13.716 1.527 -5.391 1.00 0.00 C ATOM 106 O ILE A 98 13.507 0.855 -6.402 1.00 0.00 O ATOM 107 CB ILE A 98 14.544 3.869 -5.821 1.00 0.00 C ATOM 108 CG1 ILE A 98 14.081 3.826 -7.283 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.733 4.807 -5.677 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.627 3.447 -7.460 1.00 0.00 C ATOM 0 H ILE A 98 16.381 2.523 -6.796 1.00 0.00 H new ATOM 0 HA ILE A 98 15.209 2.539 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 98 13.714 4.239 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.248 4.804 -7.735 1.00 0.00 H new ATOM 0 HG13 ILE A 98 14.700 3.113 -7.828 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.461 5.797 -6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 98 16.019 4.873 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.572 4.423 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.380 3.440 -8.522 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.456 2.456 -7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.997 4.172 -6.946 1.00 0.00 H new ATOM 122 N CYS A 99 12.934 1.486 -4.316 1.00 0.00 N ATOM 123 CA CYS A 99 11.751 0.636 -4.252 1.00 0.00 C ATOM 124 C CYS A 99 10.790 0.948 -5.394 1.00 0.00 C ATOM 125 O CYS A 99 10.528 2.113 -5.695 1.00 0.00 O ATOM 126 CB CYS A 99 11.038 0.835 -2.915 1.00 0.00 C ATOM 127 SG CYS A 99 12.116 0.633 -1.461 1.00 0.00 S ATOM 0 H CYS A 99 13.101 2.035 -3.473 1.00 0.00 H new ATOM 0 HA CYS A 99 12.074 -0.401 -4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.600 1.833 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.215 0.124 -2.845 1.00 0.00 H new ATOM 132 N SER A 100 10.268 -0.101 -6.025 1.00 0.00 N ATOM 133 CA SER A 100 9.333 0.056 -7.135 1.00 0.00 C ATOM 134 C SER A 100 8.234 1.057 -6.791 1.00 0.00 C ATOM 135 O SER A 100 7.562 0.927 -5.767 1.00 0.00 O ATOM 136 CB SER A 100 8.707 -1.292 -7.495 1.00 0.00 C ATOM 137 OG SER A 100 7.791 -1.161 -8.567 1.00 0.00 O ATOM 0 H SER A 100 10.477 -1.070 -5.786 1.00 0.00 H new ATOM 0 HA SER A 100 9.891 0.436 -7.991 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.491 -1.999 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.196 -1.703 -6.624 1.00 0.00 H new ATOM 0 HG SER A 100 7.407 -2.038 -8.778 1.00 0.00 H new ATOM 143 N LYS A 101 8.052 2.050 -7.655 1.00 0.00 N ATOM 144 CA LYS A 101 7.028 3.069 -7.444 1.00 0.00 C ATOM 145 C LYS A 101 5.665 2.583 -7.930 1.00 0.00 C ATOM 146 O LYS A 101 4.744 3.377 -8.124 1.00 0.00 O ATOM 147 CB LYS A 101 7.424 4.373 -8.150 1.00 0.00 C ATOM 148 CG LYS A 101 7.912 4.188 -9.583 1.00 0.00 C ATOM 149 CD LYS A 101 6.798 3.762 -10.518 1.00 0.00 C ATOM 150 CE LYS A 101 7.305 3.572 -11.939 1.00 0.00 C ATOM 151 NZ LYS A 101 8.354 2.518 -12.018 1.00 0.00 N ATOM 0 H LYS A 101 8.599 2.172 -8.507 1.00 0.00 H new ATOM 0 HA LYS A 101 6.951 3.262 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.566 5.045 -8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.208 4.862 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.346 5.122 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.705 3.440 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.357 2.831 -10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.008 4.513 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.472 3.304 -12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.709 4.514 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.504 2.251 -13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.243 2.882 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.049 1.683 -11.478 1.00 0.00 H new ATOM 165 N SER A 102 5.546 1.273 -8.120 1.00 0.00 N ATOM 166 CA SER A 102 4.298 0.671 -8.580 1.00 0.00 C ATOM 167 C SER A 102 3.213 0.758 -7.510 1.00 0.00 C ATOM 168 O SER A 102 2.069 1.109 -7.797 1.00 0.00 O ATOM 169 CB SER A 102 4.529 -0.792 -8.964 1.00 0.00 C ATOM 170 OG SER A 102 3.327 -1.403 -9.400 1.00 0.00 O ATOM 0 H SER A 102 6.301 0.605 -7.962 1.00 0.00 H new ATOM 0 HA SER A 102 3.961 1.227 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.277 -0.849 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.927 -1.337 -8.108 1.00 0.00 H new ATOM 0 HG SER A 102 3.503 -2.337 -9.641 1.00 0.00 H new ATOM 176 N TYR A 103 3.582 0.423 -6.277 1.00 0.00 N ATOM 177 CA TYR A 103 2.645 0.445 -5.159 1.00 0.00 C ATOM 178 C TYR A 103 2.036 1.828 -4.958 1.00 0.00 C ATOM 179 O TYR A 103 0.887 1.949 -4.533 1.00 0.00 O ATOM 180 CB TYR A 103 3.331 -0.023 -3.875 1.00 0.00 C ATOM 181 CG TYR A 103 3.721 -1.484 -3.903 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.676 -1.953 -4.796 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.127 -2.394 -3.038 1.00 0.00 C ATOM 184 CE1 TYR A 103 5.028 -3.289 -4.825 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.474 -3.730 -3.062 1.00 0.00 C ATOM 186 CZ TYR A 103 4.425 -4.173 -3.957 1.00 0.00 C ATOM 187 OH TYR A 103 4.773 -5.504 -3.984 1.00 0.00 O ATOM 0 H TYR A 103 4.527 0.132 -6.027 1.00 0.00 H new ATOM 0 HA TYR A 103 1.834 -0.242 -5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.223 0.581 -3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.664 0.152 -3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.151 -1.263 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.382 -2.051 -2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.772 -3.639 -5.525 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.003 -4.425 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 103 4.978 -5.807 -3.075 1.00 0.00 H new ATOM 197 N LEU A 104 2.805 2.869 -5.264 1.00 0.00 N ATOM 198 CA LEU A 104 2.324 4.238 -5.113 1.00 0.00 C ATOM 199 C LEU A 104 0.957 4.402 -5.774 1.00 0.00 C ATOM 200 O LEU A 104 0.707 3.845 -6.843 1.00 0.00 O ATOM 201 CB LEU A 104 3.322 5.228 -5.719 1.00 0.00 C ATOM 202 CG LEU A 104 4.722 5.206 -5.100 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.623 6.222 -5.783 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.653 5.474 -3.603 1.00 0.00 C ATOM 0 H LEU A 104 3.759 2.791 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 104 2.225 4.449 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.411 5.022 -6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.915 6.235 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 104 5.146 4.213 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.614 6.192 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.702 5.984 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.200 7.220 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.659 5.454 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.207 6.453 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.044 4.707 -3.124 1.00 0.00 H new ATOM 216 N THR A 105 0.077 5.159 -5.120 1.00 0.00 N ATOM 217 CA THR A 105 -1.272 5.392 -5.629 1.00 0.00 C ATOM 218 C THR A 105 -2.093 4.104 -5.611 1.00 0.00 C ATOM 219 O THR A 105 -1.591 3.028 -5.933 1.00 0.00 O ATOM 220 CB THR A 105 -1.250 5.958 -7.063 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.508 7.184 -7.094 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.662 6.205 -7.573 1.00 0.00 C ATOM 0 H THR A 105 0.276 5.622 -4.233 1.00 0.00 H new ATOM 0 HA THR A 105 -1.735 6.127 -4.970 1.00 0.00 H new ATOM 0 HB THR A 105 -0.771 5.224 -7.710 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.497 7.537 -8.008 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.618 6.604 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.217 5.267 -7.576 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.164 6.921 -6.922 1.00 0.00 H new ATOM 230 N LEU A 106 -3.360 4.226 -5.222 1.00 0.00 N ATOM 231 CA LEU A 106 -4.253 3.075 -5.147 1.00 0.00 C ATOM 232 C LEU A 106 -5.675 3.481 -5.532 1.00 0.00 C ATOM 233 O LEU A 106 -6.223 4.442 -4.991 1.00 0.00 O ATOM 234 CB LEU A 106 -4.216 2.490 -3.727 1.00 0.00 C ATOM 235 CG LEU A 106 -4.999 1.189 -3.510 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.543 0.505 -2.231 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.491 1.458 -3.442 1.00 0.00 C ATOM 0 H LEU A 106 -3.790 5.111 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.920 2.312 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.175 2.313 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.601 3.241 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.802 0.533 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.107 -0.417 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.480 0.273 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.714 1.168 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.023 0.519 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.701 2.135 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.822 1.913 -4.376 1.00 0.00 H new ATOM 249 N GLU A 107 -6.264 2.749 -6.476 1.00 0.00 N ATOM 250 CA GLU A 107 -7.618 3.040 -6.940 1.00 0.00 C ATOM 251 C GLU A 107 -8.640 2.830 -5.827 1.00 0.00 C ATOM 252 O GLU A 107 -8.675 1.778 -5.191 1.00 0.00 O ATOM 253 CB GLU A 107 -7.971 2.165 -8.146 1.00 0.00 C ATOM 254 CG GLU A 107 -7.923 0.673 -7.856 1.00 0.00 C ATOM 255 CD GLU A 107 -8.335 -0.169 -9.049 1.00 0.00 C ATOM 256 OE1 GLU A 107 -8.661 0.415 -10.104 1.00 0.00 O ATOM 257 OE2 GLU A 107 -8.334 -1.412 -8.928 1.00 0.00 O ATOM 0 H GLU A 107 -5.825 1.951 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.649 4.088 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.971 2.426 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.282 2.390 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.912 0.398 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.579 0.449 -7.015 1.00 0.00 H new ATOM 264 N ASN A 108 -9.474 3.841 -5.603 1.00 0.00 N ATOM 265 CA ASN A 108 -10.502 3.776 -4.568 1.00 0.00 C ATOM 266 C ASN A 108 -9.869 3.659 -3.185 1.00 0.00 C ATOM 267 O ASN A 108 -10.355 2.920 -2.325 1.00 0.00 O ATOM 268 CB ASN A 108 -11.440 2.594 -4.820 1.00 0.00 C ATOM 269 CG ASN A 108 -12.137 2.685 -6.163 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.883 3.628 -6.426 1.00 0.00 O ATOM 271 ND2 ASN A 108 -11.896 1.702 -7.022 1.00 0.00 N ATOM 0 H ASN A 108 -9.458 4.717 -6.125 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.082 4.698 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.871 1.666 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.188 2.552 -4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.336 1.709 -7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.270 0.940 -6.762 1.00 0.00 H new ATOM 278 N GLY A 109 -8.786 4.401 -2.972 1.00 0.00 N ATOM 279 CA GLY A 109 -8.106 4.373 -1.690 1.00 0.00 C ATOM 280 C GLY A 109 -7.039 5.442 -1.575 1.00 0.00 C ATOM 281 O GLY A 109 -7.013 6.392 -2.358 1.00 0.00 O ATOM 0 H GLY A 109 -8.367 5.021 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.837 4.506 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.651 3.393 -1.545 1.00 0.00 H new ATOM 285 N LYS A 110 -6.157 5.284 -0.594 1.00 0.00 N ATOM 286 CA LYS A 110 -5.077 6.239 -0.367 1.00 0.00 C ATOM 287 C LYS A 110 -3.799 5.524 0.054 1.00 0.00 C ATOM 288 O LYS A 110 -3.840 4.551 0.807 1.00 0.00 O ATOM 289 CB LYS A 110 -5.478 7.258 0.705 1.00 0.00 C ATOM 290 CG LYS A 110 -6.664 8.127 0.316 1.00 0.00 C ATOM 291 CD LYS A 110 -6.362 8.968 -0.914 1.00 0.00 C ATOM 292 CE LYS A 110 -7.543 9.849 -1.290 1.00 0.00 C ATOM 293 NZ LYS A 110 -7.275 10.643 -2.521 1.00 0.00 N ATOM 0 H LYS A 110 -6.169 4.501 0.059 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.891 6.763 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.716 6.727 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.624 7.901 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.531 7.495 0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.926 8.780 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.488 9.591 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.113 8.315 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.425 9.227 -1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.769 10.524 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.104 11.230 -2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.449 11.255 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.084 9.999 -3.315 1.00 0.00 H new ATOM 307 N VAL A 111 -2.663 6.015 -0.431 1.00 0.00 N ATOM 308 CA VAL A 111 -1.375 5.423 -0.095 1.00 0.00 C ATOM 309 C VAL A 111 -0.566 6.351 0.806 1.00 0.00 C ATOM 310 O VAL A 111 -0.403 7.535 0.513 1.00 0.00 O ATOM 311 CB VAL A 111 -0.555 5.103 -1.361 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.803 4.525 -0.990 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.320 4.143 -2.260 1.00 0.00 C ATOM 0 H VAL A 111 -2.609 6.819 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.580 4.493 0.436 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.391 6.031 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.366 4.306 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.353 5.247 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.664 3.607 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.728 3.927 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.515 3.216 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.266 4.597 -2.555 1.00 0.00 H new ATOM 323 N PHE A 112 -0.063 5.798 1.905 1.00 0.00 N ATOM 324 CA PHE A 112 0.730 6.562 2.862 1.00 0.00 C ATOM 325 C PHE A 112 2.184 6.106 2.823 1.00 0.00 C ATOM 326 O PHE A 112 2.469 4.964 2.471 1.00 0.00 O ATOM 327 CB PHE A 112 0.164 6.400 4.278 1.00 0.00 C ATOM 328 CG PHE A 112 -1.210 6.990 4.464 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.235 6.705 3.574 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.475 7.830 5.536 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.495 7.247 3.748 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.733 8.374 5.714 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.744 8.082 4.819 1.00 0.00 C ATOM 0 H PHE A 112 -0.192 4.818 2.156 1.00 0.00 H new ATOM 0 HA PHE A 112 0.683 7.616 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.128 5.339 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.847 6.868 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.047 6.052 2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.689 8.061 6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.284 7.017 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.926 9.027 6.552 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.728 8.506 4.957 1.00 0.00 H new ATOM 343 N LEU A 113 3.104 7.000 3.175 1.00 0.00 N ATOM 344 CA LEU A 113 4.525 6.667 3.160 1.00 0.00 C ATOM 345 C LEU A 113 5.317 7.530 4.137 1.00 0.00 C ATOM 346 O LEU A 113 5.151 8.749 4.185 1.00 0.00 O ATOM 347 CB LEU A 113 5.090 6.830 1.747 1.00 0.00 C ATOM 348 CG LEU A 113 6.603 6.626 1.620 1.00 0.00 C ATOM 349 CD1 LEU A 113 7.006 5.249 2.128 1.00 0.00 C ATOM 350 CD2 LEU A 113 7.044 6.813 0.176 1.00 0.00 C ATOM 0 H LEU A 113 2.894 7.953 3.472 1.00 0.00 H new ATOM 0 HA LEU A 113 4.623 5.628 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.588 6.121 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.843 7.829 1.388 1.00 0.00 H new ATOM 0 HG LEU A 113 7.103 7.375 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.084 5.126 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.725 5.151 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.498 4.482 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.121 6.665 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.534 6.087 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.793 7.821 -0.153 1.00 0.00 H new ATOM 362 N THR A 114 6.188 6.878 4.906 1.00 0.00 N ATOM 363 CA THR A 114 7.029 7.559 5.885 1.00 0.00 C ATOM 364 C THR A 114 8.305 6.764 6.142 1.00 0.00 C ATOM 365 O THR A 114 8.260 5.548 6.347 1.00 0.00 O ATOM 366 CB THR A 114 6.298 7.762 7.228 1.00 0.00 C ATOM 367 OG1 THR A 114 5.820 6.505 7.721 1.00 0.00 O ATOM 368 CG2 THR A 114 5.134 8.732 7.084 1.00 0.00 C ATOM 0 H THR A 114 6.329 5.869 4.867 1.00 0.00 H new ATOM 0 HA THR A 114 7.272 8.535 5.465 1.00 0.00 H new ATOM 0 HB THR A 114 7.010 8.186 7.936 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.359 6.642 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.640 8.853 8.048 1.00 0.00 H new ATOM 0 HG22 THR A 114 5.506 9.698 6.743 1.00 0.00 H new ATOM 0 HG23 THR A 114 4.422 8.340 6.358 1.00 0.00 H new ATOM 376 N GLY A 115 9.443 7.455 6.125 1.00 0.00 N ATOM 377 CA GLY A 115 10.714 6.794 6.358 1.00 0.00 C ATOM 378 C GLY A 115 11.900 7.640 5.934 1.00 0.00 C ATOM 379 O GLY A 115 12.891 7.739 6.657 1.00 0.00 O ATOM 0 H GLY A 115 9.506 8.459 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.805 6.553 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.733 5.850 5.814 1.00 0.00 H new ATOM 383 N GLY A 116 11.798 8.248 4.755 1.00 0.00 N ATOM 384 CA GLY A 116 12.877 9.077 4.250 1.00 0.00 C ATOM 385 C GLY A 116 12.470 9.872 3.024 1.00 0.00 C ATOM 386 O GLY A 116 11.454 10.568 3.039 1.00 0.00 O ATOM 0 H GLY A 116 10.987 8.181 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.202 9.762 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.731 8.446 4.004 1.00 0.00 H new ATOM 390 N ASP A 117 13.264 9.770 1.960 1.00 0.00 N ATOM 391 CA ASP A 117 12.978 10.490 0.724 1.00 0.00 C ATOM 392 C ASP A 117 13.484 9.705 -0.485 1.00 0.00 C ATOM 393 O ASP A 117 13.337 8.484 -0.546 1.00 0.00 O ATOM 394 CB ASP A 117 13.624 11.878 0.760 1.00 0.00 C ATOM 395 CG ASP A 117 13.101 12.735 1.896 1.00 0.00 C ATOM 396 OD1 ASP A 117 11.882 13.006 1.923 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.911 13.135 2.759 1.00 0.00 O ATOM 0 H ASP A 117 14.108 9.197 1.930 1.00 0.00 H new ATOM 0 HA ASP A 117 11.898 10.605 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.704 11.770 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.440 12.385 -0.187 1.00 0.00 H new ATOM 402 N LEU A 118 14.078 10.406 -1.446 1.00 0.00 N ATOM 403 CA LEU A 118 14.600 9.765 -2.645 1.00 0.00 C ATOM 404 C LEU A 118 16.075 10.104 -2.852 1.00 0.00 C ATOM 405 O LEU A 118 16.457 11.274 -2.862 1.00 0.00 O ATOM 406 CB LEU A 118 13.786 10.190 -3.871 1.00 0.00 C ATOM 407 CG LEU A 118 14.350 9.756 -5.228 1.00 0.00 C ATOM 408 CD1 LEU A 118 14.228 8.251 -5.403 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.627 10.476 -6.356 1.00 0.00 C ATOM 0 H LEU A 118 14.209 11.417 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 118 14.513 8.686 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.778 9.787 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.697 11.276 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 118 15.406 10.023 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.634 7.963 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.784 7.747 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.178 7.962 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.039 10.157 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 118 12.565 10.235 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.759 11.552 -6.244 1.00 0.00 H new ATOM 421 N PRO A 119 16.921 9.075 -3.025 1.00 0.00 N ATOM 422 CA PRO A 119 16.496 7.681 -3.019 1.00 0.00 C ATOM 423 C PRO A 119 16.560 7.050 -1.627 1.00 0.00 C ATOM 424 O PRO A 119 16.925 5.883 -1.484 1.00 0.00 O ATOM 425 CB PRO A 119 17.518 7.035 -3.946 1.00 0.00 C ATOM 426 CG PRO A 119 18.778 7.811 -3.715 1.00 0.00 C ATOM 427 CD PRO A 119 18.373 9.190 -3.241 1.00 0.00 C ATOM 0 HA PRO A 119 15.458 7.557 -3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.654 5.979 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.202 7.093 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.403 7.317 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.364 7.876 -4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.893 9.467 -2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.608 9.953 -3.983 1.00 0.00 H new ATOM 435 N ALA A 120 16.208 7.826 -0.603 1.00 0.00 N ATOM 436 CA ALA A 120 16.234 7.332 0.769 1.00 0.00 C ATOM 437 C ALA A 120 14.915 6.666 1.148 1.00 0.00 C ATOM 438 O ALA A 120 14.445 6.794 2.279 1.00 0.00 O ATOM 439 CB ALA A 120 16.549 8.470 1.730 1.00 0.00 C ATOM 0 H ALA A 120 15.903 8.795 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 120 17.018 6.578 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.566 8.090 2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.523 8.894 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.784 9.242 1.643 1.00 0.00 H new ATOM 445 N LEU A 121 14.323 5.952 0.196 1.00 0.00 N ATOM 446 CA LEU A 121 13.057 5.263 0.432 1.00 0.00 C ATOM 447 C LEU A 121 13.279 3.976 1.225 1.00 0.00 C ATOM 448 O LEU A 121 12.334 3.245 1.524 1.00 0.00 O ATOM 449 CB LEU A 121 12.368 4.962 -0.904 1.00 0.00 C ATOM 450 CG LEU A 121 10.985 4.311 -0.802 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.075 5.116 0.114 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.363 4.168 -2.182 1.00 0.00 C ATOM 0 H LEU A 121 14.698 5.835 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 121 12.411 5.914 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.271 5.894 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 121 13.016 4.308 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 121 11.106 3.317 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.099 4.635 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.514 5.166 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.960 6.125 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.381 3.704 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.259 5.153 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 121 11.003 3.545 -2.807 1.00 0.00 H new ATOM 464 N ASP A 122 14.535 3.708 1.564 1.00 0.00 N ATOM 465 CA ASP A 122 14.889 2.512 2.323 1.00 0.00 C ATOM 466 C ASP A 122 14.277 2.545 3.722 1.00 0.00 C ATOM 467 O ASP A 122 14.218 3.597 4.360 1.00 0.00 O ATOM 468 CB ASP A 122 16.412 2.376 2.418 1.00 0.00 C ATOM 469 CG ASP A 122 17.068 3.571 3.082 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.796 3.812 4.277 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.856 4.267 2.407 1.00 0.00 O ATOM 0 H ASP A 122 15.328 4.304 1.325 1.00 0.00 H new ATOM 0 HA ASP A 122 14.485 1.647 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.657 1.474 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.824 2.251 1.417 1.00 0.00 H new ATOM 476 N GLY A 123 13.828 1.384 4.195 1.00 0.00 N ATOM 477 CA GLY A 123 13.232 1.297 5.517 1.00 0.00 C ATOM 478 C GLY A 123 11.795 1.789 5.558 1.00 0.00 C ATOM 479 O GLY A 123 10.960 1.218 6.260 1.00 0.00 O ATOM 0 H GLY A 123 13.867 0.502 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.265 0.262 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.829 1.881 6.217 1.00 0.00 H new ATOM 483 N ALA A 124 11.511 2.852 4.812 1.00 0.00 N ATOM 484 CA ALA A 124 10.170 3.426 4.769 1.00 0.00 C ATOM 485 C ALA A 124 9.112 2.363 4.480 1.00 0.00 C ATOM 486 O ALA A 124 9.341 1.439 3.697 1.00 0.00 O ATOM 487 CB ALA A 124 10.105 4.533 3.728 1.00 0.00 C ATOM 0 H ALA A 124 12.193 3.335 4.227 1.00 0.00 H new ATOM 0 HA ALA A 124 9.956 3.847 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.099 4.953 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.819 5.315 3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.350 4.125 2.747 1.00 0.00 H new ATOM 493 N ARG A 125 7.954 2.504 5.120 1.00 0.00 N ATOM 494 CA ARG A 125 6.855 1.559 4.937 1.00 0.00 C ATOM 495 C ARG A 125 5.566 2.287 4.571 1.00 0.00 C ATOM 496 O ARG A 125 5.222 3.304 5.174 1.00 0.00 O ATOM 497 CB ARG A 125 6.650 0.728 6.205 1.00 0.00 C ATOM 498 CG ARG A 125 6.397 1.566 7.447 1.00 0.00 C ATOM 499 CD ARG A 125 6.244 0.694 8.683 1.00 0.00 C ATOM 500 NE ARG A 125 6.138 1.487 9.905 1.00 0.00 N ATOM 501 CZ ARG A 125 7.099 2.294 10.348 1.00 0.00 C ATOM 502 NH1 ARG A 125 8.236 2.413 9.674 1.00 0.00 N ATOM 503 NH2 ARG A 125 6.924 2.981 11.468 1.00 0.00 N ATOM 0 H ARG A 125 7.752 3.264 5.770 1.00 0.00 H new ATOM 0 HA ARG A 125 7.116 0.891 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.808 0.053 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.531 0.107 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.222 2.263 7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.496 2.163 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.357 0.070 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.099 0.022 8.760 1.00 0.00 H new ATOM 0 HE ARG A 125 5.278 1.418 10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 125 8.376 1.885 8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 125 8.970 3.033 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 125 6.053 2.891 11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 125 7.661 3.599 11.807 1.00 0.00 H new ATOM 517 N VAL A 126 4.863 1.764 3.571 1.00 0.00 N ATOM 518 CA VAL A 126 3.619 2.369 3.112 1.00 0.00 C ATOM 519 C VAL A 126 2.390 1.695 3.720 1.00 0.00 C ATOM 520 O VAL A 126 2.329 0.469 3.834 1.00 0.00 O ATOM 521 CB VAL A 126 3.507 2.319 1.577 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.615 3.137 0.934 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.543 0.880 1.085 1.00 0.00 C ATOM 0 H VAL A 126 5.135 0.922 3.063 1.00 0.00 H new ATOM 0 HA VAL A 126 3.647 3.407 3.444 1.00 0.00 H new ATOM 0 HB VAL A 126 2.551 2.754 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.519 3.090 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.538 4.174 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.584 2.735 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.463 0.865 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.482 0.416 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.710 0.326 1.518 1.00 0.00 H new ATOM 533 N GLU A 127 1.407 2.512 4.090 1.00 0.00 N ATOM 534 CA GLU A 127 0.163 2.013 4.667 1.00 0.00 C ATOM 535 C GLU A 127 -0.991 2.213 3.688 1.00 0.00 C ATOM 536 O GLU A 127 -1.196 3.313 3.174 1.00 0.00 O ATOM 537 CB GLU A 127 -0.143 2.721 5.989 1.00 0.00 C ATOM 538 CG GLU A 127 0.816 2.363 7.115 1.00 0.00 C ATOM 539 CD GLU A 127 2.246 2.773 6.823 1.00 0.00 C ATOM 540 OE1 GLU A 127 2.490 3.983 6.635 1.00 0.00 O ATOM 541 OE2 GLU A 127 3.122 1.884 6.787 1.00 0.00 O ATOM 0 H GLU A 127 1.449 3.527 4.000 1.00 0.00 H new ATOM 0 HA GLU A 127 0.281 0.947 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.113 3.799 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.159 2.472 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.485 2.846 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.780 1.288 7.289 1.00 0.00 H new ATOM 548 N PHE A 128 -1.734 1.142 3.425 1.00 0.00 N ATOM 549 CA PHE A 128 -2.859 1.202 2.497 1.00 0.00 C ATOM 550 C PHE A 128 -4.187 1.320 3.238 1.00 0.00 C ATOM 551 O PHE A 128 -4.383 0.695 4.280 1.00 0.00 O ATOM 552 CB PHE A 128 -2.881 -0.035 1.595 1.00 0.00 C ATOM 553 CG PHE A 128 -1.619 -0.240 0.806 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.434 -0.569 1.441 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.622 -0.114 -0.573 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.725 -0.766 0.716 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.466 -0.310 -1.303 1.00 0.00 C ATOM 558 CZ PHE A 128 0.710 -0.636 -0.658 1.00 0.00 C ATOM 0 H PHE A 128 -1.578 0.224 3.840 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.727 2.093 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.060 -0.917 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.720 0.047 0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.415 -0.673 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.539 0.141 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.643 -1.022 1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.482 -0.208 -2.378 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.615 -0.789 -1.227 1.00 0.00 H new ATOM 568 N ARG A 129 -5.098 2.114 2.682 1.00 0.00 N ATOM 569 CA ARG A 129 -6.418 2.311 3.276 1.00 0.00 C ATOM 570 C ARG A 129 -7.446 2.621 2.191 1.00 0.00 C ATOM 571 O ARG A 129 -7.212 3.462 1.326 1.00 0.00 O ATOM 572 CB ARG A 129 -6.389 3.452 4.300 1.00 0.00 C ATOM 573 CG ARG A 129 -5.377 3.259 5.410 1.00 0.00 C ATOM 574 CD ARG A 129 -5.463 4.367 6.449 1.00 0.00 C ATOM 575 NE ARG A 129 -6.745 4.362 7.149 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.064 5.222 8.111 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.201 6.161 8.478 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.246 5.146 8.706 1.00 0.00 N ATOM 0 H ARG A 129 -4.946 2.634 1.818 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.700 1.390 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.171 4.386 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.381 3.556 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.544 2.295 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.373 3.234 4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.655 4.250 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.319 5.332 5.963 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.435 3.659 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.291 6.224 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.448 6.820 9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.913 4.427 8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.489 5.807 9.444 1.00 0.00 H new ATOM 592 N CYS A 130 -8.584 1.933 2.240 1.00 0.00 N ATOM 593 CA CYS A 130 -9.643 2.137 1.255 1.00 0.00 C ATOM 594 C CYS A 130 -10.602 3.237 1.704 1.00 0.00 C ATOM 595 O CYS A 130 -10.744 3.499 2.899 1.00 0.00 O ATOM 596 CB CYS A 130 -10.415 0.835 1.022 1.00 0.00 C ATOM 597 SG CYS A 130 -9.385 -0.557 0.451 1.00 0.00 S ATOM 0 H CYS A 130 -8.796 1.231 2.949 1.00 0.00 H new ATOM 0 HA CYS A 130 -9.176 2.446 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.910 0.549 1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -11.198 1.018 0.286 1.00 0.00 H new ATOM 602 N ASP A 131 -11.254 3.880 0.737 1.00 0.00 N ATOM 603 CA ASP A 131 -12.202 4.958 1.025 1.00 0.00 C ATOM 604 C ASP A 131 -13.253 4.517 2.045 1.00 0.00 C ATOM 605 O ASP A 131 -13.413 3.324 2.300 1.00 0.00 O ATOM 606 CB ASP A 131 -12.885 5.420 -0.265 1.00 0.00 C ATOM 607 CG ASP A 131 -11.948 6.187 -1.175 1.00 0.00 C ATOM 608 OD1 ASP A 131 -10.898 5.629 -1.553 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.264 7.348 -1.510 1.00 0.00 O ATOM 0 H ASP A 131 -11.144 3.673 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.643 5.790 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.274 4.552 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.739 6.049 -0.015 1.00 0.00 H new ATOM 614 N PRO A 132 -13.972 5.484 2.659 1.00 0.00 N ATOM 615 CA PRO A 132 -15.004 5.199 3.667 1.00 0.00 C ATOM 616 C PRO A 132 -16.253 4.539 3.081 1.00 0.00 C ATOM 617 O PRO A 132 -17.376 4.973 3.336 1.00 0.00 O ATOM 618 CB PRO A 132 -15.347 6.582 4.227 1.00 0.00 C ATOM 619 CG PRO A 132 -15.008 7.529 3.130 1.00 0.00 C ATOM 620 CD PRO A 132 -13.820 6.935 2.425 1.00 0.00 C ATOM 0 HA PRO A 132 -14.644 4.492 4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.401 6.650 4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.773 6.798 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.848 7.651 2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.773 8.517 3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.824 7.173 1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.882 7.311 2.832 1.00 0.00 H new ATOM 628 N ASP A 133 -16.044 3.481 2.307 1.00 0.00 N ATOM 629 CA ASP A 133 -17.130 2.738 1.689 1.00 0.00 C ATOM 630 C ASP A 133 -16.725 1.277 1.537 1.00 0.00 C ATOM 631 O ASP A 133 -17.506 0.367 1.817 1.00 0.00 O ATOM 632 CB ASP A 133 -17.491 3.323 0.319 1.00 0.00 C ATOM 633 CG ASP A 133 -18.036 4.737 0.403 1.00 0.00 C ATOM 634 OD1 ASP A 133 -17.276 5.648 0.792 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.226 4.933 0.076 1.00 0.00 O ATOM 0 H ASP A 133 -15.116 3.116 2.091 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.008 2.813 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -16.606 3.318 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.231 2.682 -0.160 1.00 0.00 H new ATOM 640 N PHE A 134 -15.486 1.068 1.105 1.00 0.00 N ATOM 641 CA PHE A 134 -14.943 -0.272 0.924 1.00 0.00 C ATOM 642 C PHE A 134 -13.897 -0.557 2.000 1.00 0.00 C ATOM 643 O PHE A 134 -13.116 0.325 2.358 1.00 0.00 O ATOM 644 CB PHE A 134 -14.309 -0.419 -0.465 1.00 0.00 C ATOM 645 CG PHE A 134 -15.266 -0.224 -1.612 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.044 0.921 -1.706 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.384 -1.187 -2.601 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.917 1.100 -2.761 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.257 -1.015 -3.659 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.025 0.131 -3.739 1.00 0.00 C ATOM 0 H PHE A 134 -14.834 1.817 0.872 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.759 -0.989 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.498 0.303 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.864 -1.411 -0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.966 1.682 -0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.786 -2.084 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.515 1.997 -2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.339 -1.775 -4.422 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.708 0.269 -4.564 1.00 0.00 H new ATOM 660 N HIS A 135 -13.882 -1.782 2.518 1.00 0.00 N ATOM 661 CA HIS A 135 -12.922 -2.149 3.552 1.00 0.00 C ATOM 662 C HIS A 135 -11.760 -2.943 2.961 1.00 0.00 C ATOM 663 O HIS A 135 -11.962 -3.924 2.244 1.00 0.00 O ATOM 664 CB HIS A 135 -13.606 -2.951 4.664 1.00 0.00 C ATOM 665 CG HIS A 135 -14.229 -4.230 4.199 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.230 -4.282 3.253 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.990 -5.513 4.560 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.580 -5.540 3.053 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.843 -6.307 3.834 1.00 0.00 N ATOM 0 H HIS A 135 -14.518 -2.530 2.241 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.523 -1.230 3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.873 -3.177 5.438 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.375 -2.331 5.124 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.263 -5.849 5.285 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.340 -5.883 2.367 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.898 -7.324 3.889 1.00 0.00 H new ATOM 678 N LEU A 136 -10.542 -2.500 3.263 1.00 0.00 N ATOM 679 CA LEU A 136 -9.336 -3.151 2.763 1.00 0.00 C ATOM 680 C LEU A 136 -9.161 -4.525 3.405 1.00 0.00 C ATOM 681 O LEU A 136 -9.241 -4.666 4.626 1.00 0.00 O ATOM 682 CB LEU A 136 -8.120 -2.261 3.042 1.00 0.00 C ATOM 683 CG LEU A 136 -6.846 -2.611 2.267 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.843 -1.472 2.366 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.229 -3.899 2.785 1.00 0.00 C ATOM 0 H LEU A 136 -10.365 -1.688 3.855 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.429 -3.296 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.389 -1.229 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.898 -2.305 4.108 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.114 -2.760 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.941 -1.732 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -6.279 -0.566 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.589 -1.301 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.326 -4.124 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.976 -3.783 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.942 -4.716 2.671 1.00 0.00 H new ATOM 697 N VAL A 137 -8.931 -5.539 2.573 1.00 0.00 N ATOM 698 CA VAL A 137 -8.756 -6.905 3.057 1.00 0.00 C ATOM 699 C VAL A 137 -7.573 -7.596 2.380 1.00 0.00 C ATOM 700 O VAL A 137 -7.748 -8.589 1.672 1.00 0.00 O ATOM 701 CB VAL A 137 -10.028 -7.745 2.817 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.908 -9.113 3.474 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.258 -7.009 3.322 1.00 0.00 C ATOM 0 H VAL A 137 -8.862 -5.439 1.560 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.560 -6.835 4.127 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.138 -7.897 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.817 -9.686 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.053 -9.644 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.767 -8.990 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.145 -7.617 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.156 -6.821 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.357 -6.060 2.794 1.00 0.00 H new ATOM 713 N GLY A 138 -6.367 -7.075 2.587 1.00 0.00 N ATOM 714 CA GLY A 138 -5.201 -7.681 1.969 1.00 0.00 C ATOM 715 C GLY A 138 -3.894 -7.180 2.543 1.00 0.00 C ATOM 716 O GLY A 138 -3.732 -7.099 3.759 1.00 0.00 O ATOM 0 H GLY A 138 -6.177 -6.255 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.253 -8.763 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.220 -7.481 0.898 1.00 0.00 H new ATOM 720 N SER A 139 -2.957 -6.854 1.657 1.00 0.00 N ATOM 721 CA SER A 139 -1.648 -6.363 2.053 1.00 0.00 C ATOM 722 C SER A 139 -1.724 -4.914 2.531 1.00 0.00 C ATOM 723 O SER A 139 -0.999 -4.050 2.038 1.00 0.00 O ATOM 724 CB SER A 139 -0.684 -6.477 0.876 1.00 0.00 C ATOM 725 OG SER A 139 -0.522 -7.827 0.476 1.00 0.00 O ATOM 0 H SER A 139 -3.087 -6.924 0.648 1.00 0.00 H new ATOM 0 HA SER A 139 -1.286 -6.971 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.058 -5.889 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.284 -6.058 1.153 1.00 0.00 H new ATOM 0 HG SER A 139 -0.333 -7.863 -0.485 1.00 0.00 H new ATOM 731 N SER A 140 -2.608 -4.659 3.490 1.00 0.00 N ATOM 732 CA SER A 140 -2.786 -3.320 4.035 1.00 0.00 C ATOM 733 C SER A 140 -1.449 -2.728 4.477 1.00 0.00 C ATOM 734 O SER A 140 -1.158 -1.563 4.209 1.00 0.00 O ATOM 735 CB SER A 140 -3.763 -3.361 5.212 1.00 0.00 C ATOM 736 OG SER A 140 -4.007 -2.061 5.721 1.00 0.00 O ATOM 0 H SER A 140 -3.214 -5.366 3.906 1.00 0.00 H new ATOM 0 HA SER A 140 -3.196 -2.682 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.703 -3.812 4.892 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.358 -3.994 6.002 1.00 0.00 H new ATOM 0 HG SER A 140 -4.069 -1.425 4.978 1.00 0.00 H new ATOM 742 N ARG A 141 -0.638 -3.539 5.149 1.00 0.00 N ATOM 743 CA ARG A 141 0.671 -3.092 5.619 1.00 0.00 C ATOM 744 C ARG A 141 1.776 -3.561 4.674 1.00 0.00 C ATOM 745 O ARG A 141 1.816 -4.729 4.290 1.00 0.00 O ATOM 746 CB ARG A 141 0.931 -3.614 7.033 1.00 0.00 C ATOM 747 CG ARG A 141 -0.090 -3.135 8.053 1.00 0.00 C ATOM 748 CD ARG A 141 0.213 -3.672 9.444 1.00 0.00 C ATOM 749 NE ARG A 141 0.132 -5.130 9.503 1.00 0.00 N ATOM 750 CZ ARG A 141 -0.987 -5.819 9.290 1.00 0.00 C ATOM 751 NH1 ARG A 141 -2.119 -5.186 9.012 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.974 -7.142 9.359 1.00 0.00 N ATOM 0 H ARG A 141 -0.862 -4.507 5.380 1.00 0.00 H new ATOM 0 HA ARG A 141 0.674 -2.002 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.931 -4.704 7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.925 -3.300 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.098 -2.045 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.087 -3.454 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.211 -3.353 9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.489 -3.242 10.158 1.00 0.00 H new ATOM 0 HE ARG A 141 0.982 -5.650 9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.134 -4.167 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.974 -5.718 8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.106 -7.633 9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.832 -7.670 9.196 1.00 0.00 H new ATOM 766 N SER A 142 2.670 -2.646 4.305 1.00 0.00 N ATOM 767 CA SER A 142 3.774 -2.968 3.403 1.00 0.00 C ATOM 768 C SER A 142 5.022 -2.168 3.768 1.00 0.00 C ATOM 769 O SER A 142 4.941 -0.976 4.063 1.00 0.00 O ATOM 770 CB SER A 142 3.379 -2.671 1.955 1.00 0.00 C ATOM 771 OG SER A 142 2.208 -3.378 1.589 1.00 0.00 O ATOM 0 H SER A 142 2.652 -1.675 4.617 1.00 0.00 H new ATOM 0 HA SER A 142 3.996 -4.030 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.214 -1.601 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.196 -2.946 1.288 1.00 0.00 H new ATOM 0 HG SER A 142 2.419 -4.330 1.487 1.00 0.00 H new ATOM 777 N VAL A 143 6.174 -2.831 3.743 1.00 0.00 N ATOM 778 CA VAL A 143 7.439 -2.182 4.068 1.00 0.00 C ATOM 779 C VAL A 143 8.538 -2.617 3.106 1.00 0.00 C ATOM 780 O VAL A 143 8.748 -3.810 2.884 1.00 0.00 O ATOM 781 CB VAL A 143 7.884 -2.495 5.511 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.978 -3.997 5.731 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.215 -1.823 5.820 1.00 0.00 C ATOM 0 H VAL A 143 6.257 -3.818 3.501 1.00 0.00 H new ATOM 0 HA VAL A 143 7.275 -1.108 3.974 1.00 0.00 H new ATOM 0 HB VAL A 143 7.133 -2.097 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.293 -4.196 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.003 -4.452 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.705 -4.421 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.512 -2.056 6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.976 -2.188 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.112 -0.744 5.709 1.00 0.00 H new ATOM 793 N CYS A 144 9.239 -1.642 2.538 1.00 0.00 N ATOM 794 CA CYS A 144 10.317 -1.932 1.604 1.00 0.00 C ATOM 795 C CYS A 144 11.661 -1.987 2.322 1.00 0.00 C ATOM 796 O CYS A 144 11.977 -1.117 3.134 1.00 0.00 O ATOM 797 CB CYS A 144 10.362 -0.885 0.493 1.00 0.00 C ATOM 798 SG CYS A 144 11.638 -1.209 -0.763 1.00 0.00 S ATOM 0 H CYS A 144 9.080 -0.649 2.708 1.00 0.00 H new ATOM 0 HA CYS A 144 10.121 -2.908 1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.388 -0.842 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.541 0.095 0.936 1.00 0.00 H new ATOM 803 N SER A 145 12.447 -3.012 2.015 1.00 0.00 N ATOM 804 CA SER A 145 13.759 -3.181 2.626 1.00 0.00 C ATOM 805 C SER A 145 14.857 -3.064 1.576 1.00 0.00 C ATOM 806 O SER A 145 15.940 -2.542 1.842 1.00 0.00 O ATOM 807 CB SER A 145 13.844 -4.534 3.333 1.00 0.00 C ATOM 808 OG SER A 145 13.771 -5.602 2.403 1.00 0.00 O ATOM 0 H SER A 145 12.198 -3.740 1.345 1.00 0.00 H new ATOM 0 HA SER A 145 13.901 -2.391 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 145 14.778 -4.598 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.033 -4.621 4.056 1.00 0.00 H new ATOM 0 HG SER A 145 13.829 -6.456 2.880 1.00 0.00 H new ATOM 814 N GLN A 146 14.556 -3.549 0.380 1.00 0.00 N ATOM 815 CA GLN A 146 15.496 -3.508 -0.736 1.00 0.00 C ATOM 816 C GLN A 146 14.744 -3.288 -2.048 1.00 0.00 C ATOM 817 O GLN A 146 13.793 -2.511 -2.098 1.00 0.00 O ATOM 818 CB GLN A 146 16.305 -4.809 -0.800 1.00 0.00 C ATOM 819 CG GLN A 146 17.189 -5.046 0.414 1.00 0.00 C ATOM 820 CD GLN A 146 18.331 -4.048 0.529 1.00 0.00 C ATOM 821 OE1 GLN A 146 18.482 -3.185 -0.471 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 19.078 -4.060 1.508 1.00 0.00 N flip ATOM 0 H GLN A 146 13.659 -3.980 0.154 1.00 0.00 H new ATOM 0 HA GLN A 146 16.185 -2.678 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 146 15.617 -5.648 -0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 146 16.929 -4.794 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.578 -4.995 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.600 -6.054 0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.929 -4.738 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 146 19.846 -3.392 1.572 1.00 0.00 H new ATOM 831 N GLY A 147 15.167 -3.971 -3.107 1.00 0.00 N ATOM 832 CA GLY A 147 14.505 -3.821 -4.387 1.00 0.00 C ATOM 833 C GLY A 147 13.221 -4.630 -4.476 1.00 0.00 C ATOM 834 O GLY A 147 12.939 -5.242 -5.506 1.00 0.00 O ATOM 0 H GLY A 147 15.952 -4.622 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 147 14.280 -2.768 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 147 15.183 -4.132 -5.182 1.00 0.00 H new ATOM 838 N GLN A 148 12.443 -4.632 -3.393 1.00 0.00 N ATOM 839 CA GLN A 148 11.182 -5.371 -3.351 1.00 0.00 C ATOM 840 C GLN A 148 10.435 -5.102 -2.045 1.00 0.00 C ATOM 841 O GLN A 148 11.032 -5.087 -0.969 1.00 0.00 O ATOM 842 CB GLN A 148 11.437 -6.873 -3.496 1.00 0.00 C ATOM 843 CG GLN A 148 12.275 -7.462 -2.372 1.00 0.00 C ATOM 844 CD GLN A 148 12.500 -8.952 -2.530 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.551 -9.732 -2.589 1.00 0.00 O ATOM 846 NE2 GLN A 148 13.764 -9.357 -2.598 1.00 0.00 N ATOM 0 H GLN A 148 12.665 -4.130 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 148 10.567 -5.029 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.480 -7.393 -3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.938 -7.057 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 148 13.239 -6.955 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.782 -7.272 -1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 148 14.521 -8.676 -2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.977 -10.349 -2.703 1.00 0.00 H new ATOM 855 N TRP A 149 9.125 -4.892 -2.147 1.00 0.00 N ATOM 856 CA TRP A 149 8.298 -4.627 -0.974 1.00 0.00 C ATOM 857 C TRP A 149 7.872 -5.931 -0.304 1.00 0.00 C ATOM 858 O TRP A 149 7.720 -6.958 -0.966 1.00 0.00 O ATOM 859 CB TRP A 149 7.065 -3.805 -1.356 1.00 0.00 C ATOM 860 CG TRP A 149 7.399 -2.515 -2.040 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.934 -2.360 -3.287 1.00 0.00 C ATOM 862 CD2 TRP A 149 7.238 -1.196 -1.508 1.00 0.00 C ATOM 863 NE1 TRP A 149 8.101 -1.026 -3.568 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.684 -0.291 -2.490 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.756 -0.691 -0.297 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.661 1.088 -2.298 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.735 0.678 -0.108 1.00 0.00 C ATOM 868 CH2 TRP A 149 7.184 1.553 -1.104 1.00 0.00 C ATOM 0 H TRP A 149 8.614 -4.900 -3.030 1.00 0.00 H new ATOM 0 HA TRP A 149 8.895 -4.052 -0.266 1.00 0.00 H new ATOM 0 HB2 TRP A 149 6.429 -4.401 -2.011 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.487 -3.592 -0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 149 8.189 -3.169 -3.955 1.00 0.00 H new ATOM 0 HE1 TRP A 149 8.474 -0.645 -4.437 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.406 -1.358 0.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 8.007 1.766 -3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.366 1.079 0.824 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.153 2.618 -0.926 1.00 0.00 H new ATOM 879 N SER A 150 7.692 -5.885 1.014 1.00 0.00 N ATOM 880 CA SER A 150 7.296 -7.065 1.776 1.00 0.00 C ATOM 881 C SER A 150 6.005 -7.675 1.235 1.00 0.00 C ATOM 882 O SER A 150 6.009 -8.798 0.730 1.00 0.00 O ATOM 883 CB SER A 150 7.122 -6.707 3.255 1.00 0.00 C ATOM 884 OG SER A 150 6.738 -7.841 4.013 1.00 0.00 O ATOM 0 H SER A 150 7.814 -5.043 1.576 1.00 0.00 H new ATOM 0 HA SER A 150 8.089 -7.806 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.056 -6.303 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.369 -5.926 3.357 1.00 0.00 H new ATOM 0 HG SER A 150 6.635 -7.586 4.954 1.00 0.00 H new ATOM 890 N THR A 151 4.903 -6.936 1.342 1.00 0.00 N ATOM 891 CA THR A 151 3.616 -7.426 0.857 1.00 0.00 C ATOM 892 C THR A 151 3.198 -6.713 -0.426 1.00 0.00 C ATOM 893 O THR A 151 3.375 -5.501 -0.555 1.00 0.00 O ATOM 894 CB THR A 151 2.509 -7.243 1.910 1.00 0.00 C ATOM 895 OG1 THR A 151 2.247 -5.850 2.103 1.00 0.00 O ATOM 896 CG2 THR A 151 2.908 -7.876 3.233 1.00 0.00 C ATOM 0 H THR A 151 4.875 -6.004 1.756 1.00 0.00 H new ATOM 0 HA THR A 151 3.745 -8.489 0.654 1.00 0.00 H new ATOM 0 HB THR A 151 1.608 -7.738 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.159 -5.663 3.061 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.109 -7.733 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.081 -8.943 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.821 -7.407 3.600 1.00 0.00 H new ATOM 904 N PRO A 152 2.638 -7.458 -1.397 1.00 0.00 N ATOM 905 CA PRO A 152 2.194 -6.890 -2.677 1.00 0.00 C ATOM 906 C PRO A 152 1.038 -5.908 -2.512 1.00 0.00 C ATOM 907 O PRO A 152 0.859 -5.312 -1.450 1.00 0.00 O ATOM 908 CB PRO A 152 1.741 -8.115 -3.486 1.00 0.00 C ATOM 909 CG PRO A 152 2.318 -9.293 -2.777 1.00 0.00 C ATOM 910 CD PRO A 152 2.392 -8.906 -1.330 1.00 0.00 C ATOM 0 HA PRO A 152 2.988 -6.318 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.654 -8.177 -3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.099 -8.061 -4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 152 1.693 -10.176 -2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.306 -9.538 -3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.467 -9.136 -0.801 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.195 -9.430 -0.811 1.00 0.00 H new ATOM 918 N LYS A 153 0.258 -5.746 -3.574 1.00 0.00 N ATOM 919 CA LYS A 153 -0.885 -4.839 -3.564 1.00 0.00 C ATOM 920 C LYS A 153 -2.172 -5.569 -3.170 1.00 0.00 C ATOM 921 O LYS A 153 -2.473 -6.638 -3.700 1.00 0.00 O ATOM 922 CB LYS A 153 -1.047 -4.189 -4.939 1.00 0.00 C ATOM 923 CG LYS A 153 0.071 -3.219 -5.292 1.00 0.00 C ATOM 924 CD LYS A 153 0.039 -1.979 -4.410 1.00 0.00 C ATOM 925 CE LYS A 153 -1.194 -1.131 -4.680 1.00 0.00 C ATOM 926 NZ LYS A 153 -1.239 -0.655 -6.090 1.00 0.00 N ATOM 0 H LYS A 153 0.397 -6.234 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.698 -4.066 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.091 -4.970 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.999 -3.659 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 153 1.034 -3.718 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.019 -2.924 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.054 -2.277 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 153 0.936 -1.384 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.090 -1.713 -4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.200 -0.274 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.898 0.146 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -0.289 -0.350 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -1.561 -1.428 -6.707 1.00 0.00 H new ATOM 940 N PRO A 154 -2.950 -4.998 -2.229 1.00 0.00 N ATOM 941 CA PRO A 154 -4.202 -5.598 -1.764 1.00 0.00 C ATOM 942 C PRO A 154 -5.392 -5.253 -2.659 1.00 0.00 C ATOM 943 O PRO A 154 -5.223 -4.948 -3.841 1.00 0.00 O ATOM 944 CB PRO A 154 -4.375 -4.971 -0.385 1.00 0.00 C ATOM 945 CG PRO A 154 -3.767 -3.614 -0.510 1.00 0.00 C ATOM 946 CD PRO A 154 -2.667 -3.725 -1.539 1.00 0.00 C ATOM 0 HA PRO A 154 -4.164 -6.687 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.427 -4.910 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.875 -5.560 0.384 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.514 -2.882 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.369 -3.278 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.682 -2.884 -2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.683 -3.735 -1.071 1.00 0.00 H new ATOM 954 N HIS A 155 -6.593 -5.297 -2.083 1.00 0.00 N ATOM 955 CA HIS A 155 -7.814 -4.984 -2.822 1.00 0.00 C ATOM 956 C HIS A 155 -8.903 -4.480 -1.879 1.00 0.00 C ATOM 957 O HIS A 155 -8.961 -4.880 -0.715 1.00 0.00 O ATOM 958 CB HIS A 155 -8.309 -6.213 -3.590 1.00 0.00 C ATOM 959 CG HIS A 155 -8.693 -7.362 -2.711 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.822 -7.957 -1.822 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.865 -8.033 -2.592 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.441 -8.944 -1.196 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.680 -9.010 -1.645 1.00 0.00 N ATOM 0 H HIS A 155 -6.746 -5.547 -1.106 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.583 -4.195 -3.537 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.169 -5.929 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.528 -6.539 -4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.775 -7.836 -3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -8.006 -9.587 -0.445 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.386 -9.679 -1.338 1.00 0.00 H new ATOM 972 N CYS A 156 -9.765 -3.600 -2.383 1.00 0.00 N ATOM 973 CA CYS A 156 -10.850 -3.046 -1.578 1.00 0.00 C ATOM 974 C CYS A 156 -12.154 -3.800 -1.830 1.00 0.00 C ATOM 975 O CYS A 156 -12.541 -4.025 -2.977 1.00 0.00 O ATOM 976 CB CYS A 156 -11.045 -1.560 -1.892 1.00 0.00 C ATOM 977 SG CYS A 156 -9.581 -0.523 -1.570 1.00 0.00 S ATOM 0 H CYS A 156 -9.733 -3.256 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.579 -3.157 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.325 -1.457 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.879 -1.183 -1.301 1.00 0.00 H new ATOM 982 N GLN A 157 -12.824 -4.189 -0.748 1.00 0.00 N ATOM 983 CA GLN A 157 -14.083 -4.920 -0.845 1.00 0.00 C ATOM 984 C GLN A 157 -15.254 -4.056 -0.387 1.00 0.00 C ATOM 985 O GLN A 157 -15.141 -3.308 0.583 1.00 0.00 O ATOM 986 CB GLN A 157 -14.022 -6.197 -0.004 1.00 0.00 C ATOM 987 CG GLN A 157 -15.287 -7.039 -0.081 1.00 0.00 C ATOM 988 CD GLN A 157 -15.252 -8.251 0.833 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.177 -8.390 1.602 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -16.186 -9.052 0.852 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.515 -4.009 0.207 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.237 -5.186 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.175 -6.799 -0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.837 -5.928 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.145 -6.419 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.434 -7.371 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.993 -8.909 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.153 -9.859 1.474 1.00 0.00 H new ATOM 999 N VAL A 158 -16.379 -4.173 -1.082 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.571 -3.413 -0.740 1.00 0.00 C ATOM 1001 C VAL A 158 -18.318 -4.083 0.406 1.00 0.00 C ATOM 1002 O VAL A 158 -18.604 -5.280 0.356 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.513 -3.269 -1.953 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.934 -4.636 -2.473 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.728 -2.427 -1.593 1.00 0.00 C ATOM 0 H VAL A 158 -16.489 -4.789 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 158 -17.249 -2.418 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.971 -2.758 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.598 -4.511 -3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -18.051 -5.197 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.455 -5.180 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.379 -2.338 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -20.273 -2.904 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.403 -1.435 -1.280 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.626 -3.313 1.440 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.333 -3.854 2.589 1.00 0.00 C ATOM 1017 C ASN A 159 -20.771 -4.211 2.228 1.00 0.00 C ATOM 1018 O ASN A 159 -21.541 -3.290 1.885 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.314 -2.861 3.754 1.00 0.00 C ATOM 1020 CG ASN A 159 -17.925 -2.663 4.328 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.306 -3.606 4.820 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -17.429 -1.432 4.272 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.115 -5.410 2.289 1.00 0.00 O ATOM 0 H ASN A 159 -18.399 -2.321 1.506 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.819 -4.764 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.703 -1.901 3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -19.981 -3.216 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -16.500 -1.239 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.977 -0.680 3.855 1.00 0.00 H new