USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 312 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 7 THR OG1 : rot -63:sc= 0.109 USER MOD Set 1.2: A 11 ASN :FLIP amide:sc= -0.855 F(o=-1.6,f=-0.75) USER MOD Single : A 2 SER OG : rot 177:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.4) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 13 TYR OH : rot 148:sc= -4.63 USER MOD Single : A 14 ASN :FLIP amide:sc= -1.82 F(o=-4.5!,f=-1.8) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.141 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -69:sc= -5.06! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 87:sc= -3.4 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 -3.608 2.228 -0.846 1.00 0.00 N ATOM 26 CA SER A 2 -2.149 2.239 -0.760 1.00 0.00 C ATOM 27 C SER A 2 -1.506 2.457 -2.128 1.00 0.00 C ATOM 28 O SER A 2 -2.090 2.133 -3.163 1.00 0.00 O ATOM 29 CB SER A 2 -1.630 0.941 -0.131 1.00 0.00 C ATOM 30 OG SER A 2 -1.326 -0.027 -1.120 1.00 0.00 O ATOM 0 HA SER A 2 -1.868 3.076 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.739 1.152 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.379 0.542 0.553 1.00 0.00 H new ATOM 0 HG SER A 2 -0.950 -0.825 -0.692 1.00 0.00 H new ATOM 36 N CYS A 3 -0.297 3.013 -2.116 1.00 0.00 N ATOM 37 CA CYS A 3 0.445 3.288 -3.342 1.00 0.00 C ATOM 38 C CYS A 3 1.846 2.684 -3.263 1.00 0.00 C ATOM 39 O CYS A 3 2.605 2.989 -2.344 1.00 0.00 O ATOM 40 CB CYS A 3 0.540 4.802 -3.560 1.00 0.00 C ATOM 41 SG CYS A 3 0.489 5.321 -5.306 1.00 0.00 S ATOM 0 H CYS A 3 0.192 3.284 -1.263 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.082 2.835 -4.182 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.279 5.285 -3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.467 5.163 -3.114 1.00 0.00 H new ATOM 46 N CYS A 4 2.192 1.829 -4.224 1.00 0.00 N ATOM 47 CA CYS A 4 3.510 1.200 -4.232 1.00 0.00 C ATOM 48 C CYS A 4 4.058 1.080 -5.653 1.00 0.00 C ATOM 49 O CYS A 4 3.303 1.112 -6.623 1.00 0.00 O ATOM 50 CB CYS A 4 3.449 -0.175 -3.566 1.00 0.00 C ATOM 51 SG CYS A 4 4.666 -0.401 -2.228 1.00 0.00 S ATOM 0 H CYS A 4 1.586 1.559 -4.998 1.00 0.00 H new ATOM 0 HA CYS A 4 4.188 1.836 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.448 -0.329 -3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.609 -0.942 -4.323 1.00 0.00 H new ATOM 56 N PRO A 5 5.390 0.963 -5.792 1.00 0.00 N ATOM 57 CA PRO A 5 6.048 0.863 -7.088 1.00 0.00 C ATOM 58 C PRO A 5 6.270 -0.572 -7.561 1.00 0.00 C ATOM 59 O PRO A 5 6.896 -0.792 -8.598 1.00 0.00 O ATOM 60 CB PRO A 5 7.385 1.539 -6.812 1.00 0.00 C ATOM 61 CG PRO A 5 7.692 1.209 -5.385 1.00 0.00 C ATOM 62 CD PRO A 5 6.371 0.947 -4.693 1.00 0.00 C ATOM 0 HA PRO A 5 5.451 1.309 -7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.162 1.167 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.323 2.616 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.339 0.334 -5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.221 2.032 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.374 -0.011 -4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.151 1.712 -3.949 1.00 0.00 H new ATOM 70 N ASN A 6 5.767 -1.551 -6.811 1.00 0.00 N ATOM 71 CA ASN A 6 5.942 -2.948 -7.196 1.00 0.00 C ATOM 72 C ASN A 6 4.988 -3.858 -6.435 1.00 0.00 C ATOM 73 O ASN A 6 4.626 -3.582 -5.291 1.00 0.00 O ATOM 74 CB ASN A 6 7.386 -3.387 -6.949 1.00 0.00 C ATOM 75 CG ASN A 6 8.278 -3.137 -8.150 1.00 0.00 C ATOM 76 OD1 ASN A 6 8.002 -3.607 -9.253 1.00 0.00 O ATOM 77 ND2 ASN A 6 9.359 -2.393 -7.939 1.00 0.00 N ATOM 0 H ASN A 6 5.244 -1.406 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 6 5.715 -3.031 -8.259 1.00 0.00 H new ATOM 0 HB2 ASN A 6 7.783 -2.852 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.403 -4.448 -6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.998 -2.192 -8.708 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.550 -2.023 -7.008 1.00 0.00 H new ATOM 84 N THR A 7 4.591 -4.953 -7.078 1.00 0.00 N ATOM 85 CA THR A 7 3.685 -5.914 -6.463 1.00 0.00 C ATOM 86 C THR A 7 4.258 -6.425 -5.146 1.00 0.00 C ATOM 87 O THR A 7 3.517 -6.804 -4.239 1.00 0.00 O ATOM 88 CB THR A 7 3.429 -7.086 -7.412 1.00 0.00 C ATOM 89 OG1 THR A 7 2.675 -8.097 -6.768 1.00 0.00 O ATOM 90 CG2 THR A 7 4.700 -7.724 -7.932 1.00 0.00 C ATOM 0 H THR A 7 4.883 -5.195 -8.025 1.00 0.00 H new ATOM 0 HA THR A 7 2.740 -5.411 -6.260 1.00 0.00 H new ATOM 0 HB THR A 7 2.883 -6.661 -8.254 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.189 -8.459 -6.016 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.447 -8.548 -8.599 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.283 -6.982 -8.477 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.286 -8.102 -7.095 1.00 0.00 H new ATOM 98 N THR A 8 5.586 -6.427 -5.046 1.00 0.00 N ATOM 99 CA THR A 8 6.259 -6.884 -3.837 1.00 0.00 C ATOM 100 C THR A 8 5.773 -6.104 -2.621 1.00 0.00 C ATOM 101 O THR A 8 5.763 -6.621 -1.507 1.00 0.00 O ATOM 102 CB THR A 8 7.773 -6.738 -3.980 1.00 0.00 C ATOM 103 OG1 THR A 8 8.095 -5.645 -4.822 1.00 0.00 O ATOM 104 CG2 THR A 8 8.441 -7.970 -4.549 1.00 0.00 C ATOM 0 H THR A 8 6.214 -6.117 -5.788 1.00 0.00 H new ATOM 0 HA THR A 8 6.018 -7.937 -3.693 1.00 0.00 H new ATOM 0 HB THR A 8 8.145 -6.578 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.069 -5.567 -4.899 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.515 -7.800 -4.624 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.254 -8.821 -3.894 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.036 -8.179 -5.539 1.00 0.00 H new ATOM 112 N GLY A 9 5.352 -4.863 -2.849 1.00 0.00 N ATOM 113 CA GLY A 9 4.850 -4.040 -1.767 1.00 0.00 C ATOM 114 C GLY A 9 3.349 -4.166 -1.651 1.00 0.00 C ATOM 115 O GLY A 9 2.811 -4.392 -0.563 1.00 0.00 O ATOM 0 H GLY A 9 5.350 -4.414 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.318 -4.339 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.120 -2.998 -1.941 1.00 0.00 H new ATOM 119 N ARG A 10 2.675 -4.046 -2.791 1.00 0.00 N ATOM 120 CA ARG A 10 1.233 -4.171 -2.843 1.00 0.00 C ATOM 121 C ARG A 10 0.790 -5.487 -2.205 1.00 0.00 C ATOM 122 O ARG A 10 -0.332 -5.606 -1.720 1.00 0.00 O ATOM 123 CB ARG A 10 0.771 -4.111 -4.293 1.00 0.00 C ATOM 124 CG ARG A 10 -0.732 -4.080 -4.439 1.00 0.00 C ATOM 125 CD ARG A 10 -1.263 -2.655 -4.439 1.00 0.00 C ATOM 126 NE ARG A 10 -1.791 -2.279 -5.743 1.00 0.00 N ATOM 127 CZ ARG A 10 -2.463 -1.156 -5.977 1.00 0.00 C ATOM 128 NH1 ARG A 10 -2.692 -0.294 -4.994 1.00 0.00 N ATOM 129 NH2 ARG A 10 -2.905 -0.893 -7.200 1.00 0.00 N ATOM 0 H ARG A 10 3.113 -3.861 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 10 0.783 -3.349 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.194 -3.224 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.164 -4.975 -4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.019 -4.576 -5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.189 -4.640 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.046 -2.558 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.464 -1.969 -4.158 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.636 -2.916 -6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.352 -0.492 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.208 0.566 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.729 -1.552 -7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.421 -0.032 -7.382 1.00 0.00 H new ATOM 143 N ASN A 11 1.685 -6.474 -2.215 1.00 0.00 N ATOM 144 CA ASN A 11 1.403 -7.782 -1.649 1.00 0.00 C ATOM 145 C ASN A 11 1.309 -7.725 -0.132 1.00 0.00 C ATOM 146 O ASN A 11 0.317 -8.157 0.444 1.00 0.00 O ATOM 147 CB ASN A 11 2.493 -8.764 -2.067 1.00 0.00 C ATOM 148 CG ASN A 11 2.278 -9.319 -3.461 1.00 0.00 C ATOM 149 OD1 ASN A 11 3.351 -9.388 -4.241 1.00 0.00 O flip ATOM 150 ND2 ASN A 11 1.162 -9.680 -3.833 1.00 0.00 N flip ATOM 0 H ASN A 11 2.619 -6.385 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 11 0.438 -8.117 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.461 -8.265 -2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.527 -9.588 -1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.366 -9.609 -3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.033 -10.050 -4.775 1.00 0.00 H new ATOM 157 N ILE A 12 2.341 -7.195 0.516 1.00 0.00 N ATOM 158 CA ILE A 12 2.337 -7.100 1.971 1.00 0.00 C ATOM 159 C ILE A 12 1.214 -6.196 2.446 1.00 0.00 C ATOM 160 O ILE A 12 0.520 -6.519 3.404 1.00 0.00 O ATOM 161 CB ILE A 12 3.688 -6.593 2.522 1.00 0.00 C ATOM 162 CG1 ILE A 12 4.769 -7.656 2.327 1.00 0.00 C ATOM 163 CG2 ILE A 12 3.572 -6.225 3.996 1.00 0.00 C ATOM 164 CD1 ILE A 12 5.588 -7.454 1.073 1.00 0.00 C ATOM 0 H ILE A 12 3.179 -6.829 0.065 1.00 0.00 H new ATOM 0 HA ILE A 12 2.176 -8.107 2.356 1.00 0.00 H new ATOM 0 HB ILE A 12 3.967 -5.697 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.433 -7.651 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.300 -8.639 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.537 -5.871 4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.828 -5.438 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.269 -7.102 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.336 -8.243 0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.934 -7.488 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.085 -6.485 1.115 1.00 0.00 H new ATOM 176 N TYR A 13 1.031 -5.073 1.770 1.00 0.00 N ATOM 177 CA TYR A 13 -0.016 -4.143 2.131 1.00 0.00 C ATOM 178 C TYR A 13 -1.388 -4.793 1.968 1.00 0.00 C ATOM 179 O TYR A 13 -2.250 -4.688 2.846 1.00 0.00 O ATOM 180 CB TYR A 13 0.092 -2.894 1.267 1.00 0.00 C ATOM 181 CG TYR A 13 -0.352 -1.630 1.963 1.00 0.00 C ATOM 182 CD1 TYR A 13 -1.694 -1.402 2.237 1.00 0.00 C ATOM 183 CD2 TYR A 13 0.569 -0.667 2.348 1.00 0.00 C ATOM 184 CE1 TYR A 13 -2.104 -0.247 2.876 1.00 0.00 C ATOM 185 CE2 TYR A 13 0.169 0.489 2.988 1.00 0.00 C ATOM 186 CZ TYR A 13 -1.168 0.694 3.250 1.00 0.00 C ATOM 187 OH TYR A 13 -1.572 1.844 3.887 1.00 0.00 O ATOM 0 H TYR A 13 1.595 -4.788 0.970 1.00 0.00 H new ATOM 0 HA TYR A 13 0.101 -3.862 3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.126 -2.775 0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.509 -3.033 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.429 -2.138 1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.618 -0.824 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.151 -0.082 3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.900 1.228 3.282 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.873 2.136 4.509 1.00 0.00 H new ATOM 197 N ASN A 14 -1.581 -5.472 0.841 1.00 0.00 N ATOM 198 CA ASN A 14 -2.835 -6.143 0.556 1.00 0.00 C ATOM 199 C ASN A 14 -3.077 -7.291 1.529 1.00 0.00 C ATOM 200 O ASN A 14 -4.117 -7.345 2.185 1.00 0.00 O ATOM 201 CB ASN A 14 -2.833 -6.658 -0.878 1.00 0.00 C ATOM 202 CG ASN A 14 -3.248 -5.591 -1.870 1.00 0.00 C ATOM 203 OD1 ASN A 14 -2.566 -4.450 -1.834 1.00 0.00 O flip ATOM 204 ND2 ASN A 14 -4.170 -5.788 -2.662 1.00 0.00 N flip ATOM 0 H ASN A 14 -0.877 -5.569 0.109 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.645 -5.423 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.836 -7.019 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.510 -7.509 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.667 -6.679 -2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.437 -5.060 -3.325 1.00 0.00 H new ATOM 211 N THR A 15 -2.115 -8.207 1.631 1.00 0.00 N ATOM 212 CA THR A 15 -2.255 -9.338 2.544 1.00 0.00 C ATOM 213 C THR A 15 -2.395 -8.840 3.973 1.00 0.00 C ATOM 214 O THR A 15 -3.220 -9.338 4.740 1.00 0.00 O ATOM 215 CB THR A 15 -1.065 -10.286 2.425 1.00 0.00 C ATOM 216 OG1 THR A 15 -1.224 -11.399 3.286 1.00 0.00 O ATOM 217 CG2 THR A 15 0.261 -9.637 2.755 1.00 0.00 C ATOM 0 H THR A 15 -1.243 -8.189 1.101 1.00 0.00 H new ATOM 0 HA THR A 15 -3.154 -9.890 2.272 1.00 0.00 H new ATOM 0 HB THR A 15 -1.047 -10.592 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.452 -11.996 3.195 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.061 -10.370 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.438 -8.805 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.240 -9.268 3.780 1.00 0.00 H new ATOM 225 N CYS A 16 -1.599 -7.833 4.318 1.00 0.00 N ATOM 226 CA CYS A 16 -1.645 -7.238 5.643 1.00 0.00 C ATOM 227 C CYS A 16 -3.078 -6.853 5.984 1.00 0.00 C ATOM 228 O CYS A 16 -3.627 -7.287 6.997 1.00 0.00 O ATOM 229 CB CYS A 16 -0.734 -6.012 5.677 1.00 0.00 C ATOM 230 SG CYS A 16 -1.113 -4.800 6.982 1.00 0.00 S ATOM 0 H CYS A 16 -0.912 -7.412 3.692 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.296 -7.957 6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.295 -6.348 5.803 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.790 -5.511 4.711 1.00 0.00 H new ATOM 235 N ARG A 17 -3.684 -6.047 5.117 1.00 0.00 N ATOM 236 CA ARG A 17 -5.060 -5.623 5.317 1.00 0.00 C ATOM 237 C ARG A 17 -5.981 -6.838 5.347 1.00 0.00 C ATOM 238 O ARG A 17 -6.940 -6.887 6.118 1.00 0.00 O ATOM 239 CB ARG A 17 -5.488 -4.661 4.206 1.00 0.00 C ATOM 240 CG ARG A 17 -5.517 -3.205 4.640 1.00 0.00 C ATOM 241 CD ARG A 17 -6.680 -2.457 4.010 1.00 0.00 C ATOM 242 NE ARG A 17 -7.958 -2.821 4.617 1.00 0.00 N ATOM 243 CZ ARG A 17 -8.368 -2.379 5.803 1.00 0.00 C ATOM 244 NH1 ARG A 17 -7.604 -1.557 6.513 1.00 0.00 N ATOM 245 NH2 ARG A 17 -9.545 -2.758 6.282 1.00 0.00 N ATOM 0 H ARG A 17 -3.244 -5.678 4.274 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.131 -5.102 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.806 -4.767 3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.479 -4.946 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.594 -3.150 5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.580 -2.723 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.521 -1.384 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.712 -2.670 2.942 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.572 -3.451 4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.698 -1.261 6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.923 -1.221 7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.137 -3.389 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.859 -2.419 7.191 1.00 0.00 H new ATOM 259 N LEU A 18 -5.673 -7.824 4.507 1.00 0.00 N ATOM 260 CA LEU A 18 -6.464 -9.045 4.441 1.00 0.00 C ATOM 261 C LEU A 18 -6.404 -9.806 5.762 1.00 0.00 C ATOM 262 O LEU A 18 -7.240 -10.670 6.028 1.00 0.00 O ATOM 263 CB LEU A 18 -5.973 -9.932 3.295 1.00 0.00 C ATOM 264 CG LEU A 18 -6.829 -9.885 2.029 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.274 -10.827 0.973 1.00 0.00 C ATOM 266 CD2 LEU A 18 -8.275 -10.234 2.351 1.00 0.00 C ATOM 0 H LEU A 18 -4.881 -7.799 3.864 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.502 -8.769 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.955 -9.638 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.928 -10.963 3.647 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.800 -8.871 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.897 -10.779 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.255 -10.532 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.271 -11.846 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.870 -10.196 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.322 -11.238 2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.670 -9.519 3.072 1.00 0.00 H new ATOM 278 N GLY A 19 -5.417 -9.477 6.588 1.00 0.00 N ATOM 279 CA GLY A 19 -5.276 -10.131 7.869 1.00 0.00 C ATOM 280 C GLY A 19 -5.609 -9.208 9.023 1.00 0.00 C ATOM 281 O GLY A 19 -5.219 -9.463 10.163 1.00 0.00 O ATOM 0 H GLY A 19 -4.712 -8.767 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.929 -11.003 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.254 -10.494 7.979 1.00 0.00 H new ATOM 285 N GLY A 20 -6.330 -8.128 8.728 1.00 0.00 N ATOM 286 CA GLY A 20 -6.697 -7.184 9.762 1.00 0.00 C ATOM 287 C GLY A 20 -5.506 -6.396 10.269 1.00 0.00 C ATOM 288 O GLY A 20 -5.161 -6.464 11.448 1.00 0.00 O ATOM 0 H GLY A 20 -6.664 -7.893 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.447 -6.495 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.157 -7.719 10.593 1.00 0.00 H new ATOM 292 N GLY A 21 -4.879 -5.643 9.372 1.00 0.00 N ATOM 293 CA GLY A 21 -3.731 -4.844 9.738 1.00 0.00 C ATOM 294 C GLY A 21 -3.825 -3.436 9.194 1.00 0.00 C ATOM 295 O GLY A 21 -3.965 -3.236 7.987 1.00 0.00 O ATOM 0 H GLY A 21 -5.150 -5.574 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.645 -4.808 10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.824 -5.318 9.362 1.00 0.00 H new ATOM 299 N SER A 22 -3.757 -2.461 10.093 1.00 0.00 N ATOM 300 CA SER A 22 -3.841 -1.049 9.721 1.00 0.00 C ATOM 301 C SER A 22 -3.059 -0.761 8.445 1.00 0.00 C ATOM 302 O SER A 22 -2.124 -1.482 8.101 1.00 0.00 O ATOM 303 CB SER A 22 -3.322 -0.164 10.854 1.00 0.00 C ATOM 304 OG SER A 22 -3.244 -0.885 12.073 1.00 0.00 O ATOM 0 H SER A 22 -3.643 -2.622 11.094 1.00 0.00 H new ATOM 0 HA SER A 22 -4.891 -0.821 9.538 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.337 0.224 10.594 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.980 0.696 10.978 1.00 0.00 H new ATOM 0 HG SER A 22 -2.908 -0.296 12.780 1.00 0.00 H new ATOM 310 N ARG A 23 -3.454 0.295 7.751 1.00 0.00 N ATOM 311 CA ARG A 23 -2.800 0.683 6.511 1.00 0.00 C ATOM 312 C ARG A 23 -1.347 1.063 6.756 1.00 0.00 C ATOM 313 O ARG A 23 -0.467 0.765 5.948 1.00 0.00 O ATOM 314 CB ARG A 23 -3.553 1.854 5.875 1.00 0.00 C ATOM 315 CG ARG A 23 -4.322 1.475 4.619 1.00 0.00 C ATOM 316 CD ARG A 23 -5.728 2.053 4.628 1.00 0.00 C ATOM 317 NE ARG A 23 -5.721 3.512 4.546 1.00 0.00 N ATOM 318 CZ ARG A 23 -5.541 4.191 3.415 1.00 0.00 C ATOM 319 NH1 ARG A 23 -5.352 3.547 2.271 1.00 0.00 N ATOM 320 NH2 ARG A 23 -5.549 5.516 3.430 1.00 0.00 N ATOM 0 H ARG A 23 -4.227 0.901 8.027 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.815 -0.168 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.248 2.267 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.841 2.643 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.786 1.835 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.375 0.389 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.293 1.646 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.241 1.744 5.538 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.862 4.042 5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.344 2.527 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.215 4.072 1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.693 6.015 4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.411 6.037 2.564 1.00 0.00 H new ATOM 334 N GLU A 24 -1.111 1.730 7.873 1.00 0.00 N ATOM 335 CA GLU A 24 0.228 2.170 8.240 1.00 0.00 C ATOM 336 C GLU A 24 1.118 0.997 8.639 1.00 0.00 C ATOM 337 O GLU A 24 2.312 0.984 8.336 1.00 0.00 O ATOM 338 CB GLU A 24 0.152 3.188 9.378 1.00 0.00 C ATOM 339 CG GLU A 24 -1.104 4.044 9.335 1.00 0.00 C ATOM 340 CD GLU A 24 -0.969 5.324 10.135 1.00 0.00 C ATOM 341 OE1 GLU A 24 0.124 5.927 10.113 1.00 0.00 O ATOM 342 OE2 GLU A 24 -1.958 5.725 10.786 1.00 0.00 O ATOM 0 H GLU A 24 -1.834 1.981 8.547 1.00 0.00 H new ATOM 0 HA GLU A 24 0.676 2.640 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.192 2.661 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.027 3.836 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.335 4.291 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.945 3.467 9.720 1.00 0.00 H new ATOM 349 N ARG A 25 0.538 0.016 9.323 1.00 0.00 N ATOM 350 CA ARG A 25 1.293 -1.152 9.762 1.00 0.00 C ATOM 351 C ARG A 25 1.983 -1.829 8.584 1.00 0.00 C ATOM 352 O ARG A 25 3.165 -2.165 8.653 1.00 0.00 O ATOM 353 CB ARG A 25 0.371 -2.146 10.471 1.00 0.00 C ATOM 354 CG ARG A 25 1.104 -3.343 11.056 1.00 0.00 C ATOM 355 CD ARG A 25 0.132 -4.418 11.520 1.00 0.00 C ATOM 356 NE ARG A 25 0.752 -5.740 11.551 1.00 0.00 N ATOM 357 CZ ARG A 25 1.565 -6.155 12.520 1.00 0.00 C ATOM 358 NH1 ARG A 25 1.858 -5.355 13.538 1.00 0.00 N ATOM 359 NH2 ARG A 25 2.086 -7.373 12.470 1.00 0.00 N ATOM 0 H ARG A 25 -0.448 0.006 9.584 1.00 0.00 H new ATOM 0 HA ARG A 25 2.058 -0.816 10.462 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.161 -1.630 11.270 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.380 -2.500 9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.779 -3.759 10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.719 -3.020 11.896 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.238 -4.168 12.514 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.731 -4.438 10.855 1.00 0.00 H new ATOM 0 HE ARG A 25 0.550 -6.383 10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.460 -4.417 13.581 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.482 -5.678 14.278 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.864 -7.991 11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.709 -7.692 13.212 1.00 0.00 H new ATOM 373 N CYS A 26 1.240 -2.017 7.501 1.00 0.00 N ATOM 374 CA CYS A 26 1.790 -2.647 6.304 1.00 0.00 C ATOM 375 C CYS A 26 2.780 -1.712 5.626 1.00 0.00 C ATOM 376 O CYS A 26 3.817 -2.146 5.126 1.00 0.00 O ATOM 377 CB CYS A 26 0.692 -3.051 5.310 1.00 0.00 C ATOM 378 SG CYS A 26 -1.005 -3.042 5.981 1.00 0.00 S ATOM 0 H CYS A 26 0.260 -1.745 7.425 1.00 0.00 H new ATOM 0 HA CYS A 26 2.302 -3.556 6.621 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.731 -2.375 4.455 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.913 -4.051 4.936 1.00 0.00 H new ATOM 383 N ALA A 27 2.456 -0.421 5.618 1.00 0.00 N ATOM 384 CA ALA A 27 3.326 0.574 5.005 1.00 0.00 C ATOM 385 C ALA A 27 4.737 0.472 5.570 1.00 0.00 C ATOM 386 O ALA A 27 5.713 0.418 4.823 1.00 0.00 O ATOM 387 CB ALA A 27 2.760 1.972 5.215 1.00 0.00 C ATOM 0 H ALA A 27 1.602 -0.043 6.027 1.00 0.00 H new ATOM 0 HA ALA A 27 3.375 0.380 3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.420 2.705 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.771 2.036 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.683 2.177 6.283 1.00 0.00 H new ATOM 393 N SER A 28 4.836 0.425 6.895 1.00 0.00 N ATOM 394 CA SER A 28 6.126 0.306 7.555 1.00 0.00 C ATOM 395 C SER A 28 6.712 -1.083 7.324 1.00 0.00 C ATOM 396 O SER A 28 7.927 -1.275 7.371 1.00 0.00 O ATOM 397 CB SER A 28 5.985 0.573 9.055 1.00 0.00 C ATOM 398 OG SER A 28 7.250 0.582 9.694 1.00 0.00 O ATOM 0 H SER A 28 4.038 0.468 7.529 1.00 0.00 H new ATOM 0 HA SER A 28 6.801 1.048 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.488 1.531 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.352 -0.192 9.506 1.00 0.00 H new ATOM 0 HG SER A 28 7.132 0.756 10.651 1.00 0.00 H new ATOM 404 N LEU A 29 5.833 -2.051 7.075 1.00 0.00 N ATOM 405 CA LEU A 29 6.243 -3.429 6.834 1.00 0.00 C ATOM 406 C LEU A 29 6.954 -3.564 5.491 1.00 0.00 C ATOM 407 O LEU A 29 8.097 -4.014 5.425 1.00 0.00 O ATOM 408 CB LEU A 29 5.022 -4.352 6.868 1.00 0.00 C ATOM 409 CG LEU A 29 5.241 -5.700 7.556 1.00 0.00 C ATOM 410 CD1 LEU A 29 6.159 -6.582 6.725 1.00 0.00 C ATOM 411 CD2 LEU A 29 5.811 -5.499 8.953 1.00 0.00 C ATOM 0 H LEU A 29 4.825 -1.903 7.035 1.00 0.00 H new ATOM 0 HA LEU A 29 6.939 -3.718 7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.208 -3.832 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.696 -4.534 5.844 1.00 0.00 H new ATOM 0 HG LEU A 29 4.277 -6.200 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.303 -7.537 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.711 -6.754 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.123 -6.089 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.960 -6.469 9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.766 -4.977 8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.116 -4.907 9.548 1.00 0.00 H new ATOM 423 N SER A 30 6.263 -3.179 4.422 1.00 0.00 N ATOM 424 CA SER A 30 6.825 -3.265 3.080 1.00 0.00 C ATOM 425 C SER A 30 7.572 -1.988 2.711 1.00 0.00 C ATOM 426 O SER A 30 8.713 -2.036 2.251 1.00 0.00 O ATOM 427 CB SER A 30 5.719 -3.538 2.060 1.00 0.00 C ATOM 428 OG SER A 30 6.071 -4.611 1.205 1.00 0.00 O ATOM 0 H SER A 30 5.315 -2.805 4.460 1.00 0.00 H new ATOM 0 HA SER A 30 7.537 -4.090 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.790 -3.772 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.536 -2.641 1.468 1.00 0.00 H new ATOM 0 HG SER A 30 6.806 -4.335 0.619 1.00 0.00 H new ATOM 434 N GLY A 31 6.923 -0.848 2.915 1.00 0.00 N ATOM 435 CA GLY A 31 7.543 0.423 2.598 1.00 0.00 C ATOM 436 C GLY A 31 6.767 1.211 1.557 1.00 0.00 C ATOM 437 O GLY A 31 7.313 2.117 0.925 1.00 0.00 O ATOM 0 H GLY A 31 5.978 -0.782 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.629 1.017 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.556 0.248 2.235 1.00 0.00 H new ATOM 441 N CYS A 32 5.493 0.874 1.382 1.00 0.00 N ATOM 442 CA CYS A 32 4.648 1.561 0.418 1.00 0.00 C ATOM 443 C CYS A 32 4.351 2.981 0.884 1.00 0.00 C ATOM 444 O CYS A 32 4.872 3.430 1.906 1.00 0.00 O ATOM 445 CB CYS A 32 3.341 0.789 0.231 1.00 0.00 C ATOM 446 SG CYS A 32 3.531 -0.821 -0.598 1.00 0.00 S ATOM 0 H CYS A 32 5.025 0.128 1.897 1.00 0.00 H new ATOM 0 HA CYS A 32 5.175 1.612 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.884 0.629 1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.650 1.403 -0.347 1.00 0.00 H new ATOM 451 N LYS A 33 3.510 3.683 0.135 1.00 0.00 N ATOM 452 CA LYS A 33 3.145 5.051 0.476 1.00 0.00 C ATOM 453 C LYS A 33 1.633 5.194 0.595 1.00 0.00 C ATOM 454 O LYS A 33 0.891 4.842 -0.322 1.00 0.00 O ATOM 455 CB LYS A 33 3.679 6.025 -0.573 1.00 0.00 C ATOM 456 CG LYS A 33 3.638 7.480 -0.130 1.00 0.00 C ATOM 457 CD LYS A 33 4.327 7.676 1.211 1.00 0.00 C ATOM 458 CE LYS A 33 3.325 7.954 2.322 1.00 0.00 C ATOM 459 NZ LYS A 33 3.575 9.267 2.979 1.00 0.00 N ATOM 0 H LYS A 33 3.068 3.327 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 33 3.594 5.289 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.707 5.757 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.097 5.916 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.121 8.104 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.602 7.810 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.905 6.785 1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.032 8.504 1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.315 7.940 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.378 7.159 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.872 9.419 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.529 9.272 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.499 10.028 2.274 1.00 0.00 H new ATOM 473 N ILE A 34 1.182 5.712 1.732 1.00 0.00 N ATOM 474 CA ILE A 34 -0.240 5.901 1.971 1.00 0.00 C ATOM 475 C ILE A 34 -0.780 7.078 1.162 1.00 0.00 C ATOM 476 O ILE A 34 -0.285 8.200 1.275 1.00 0.00 O ATOM 477 CB ILE A 34 -0.530 6.123 3.472 1.00 0.00 C ATOM 478 CG1 ILE A 34 -2.013 5.900 3.763 1.00 0.00 C ATOM 479 CG2 ILE A 34 -0.099 7.517 3.911 1.00 0.00 C ATOM 480 CD1 ILE A 34 -2.366 4.446 3.993 1.00 0.00 C ATOM 0 H ILE A 34 1.782 6.008 2.502 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.746 4.991 1.649 1.00 0.00 H new ATOM 0 HB ILE A 34 0.050 5.398 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.295 6.479 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.601 6.282 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.314 7.647 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.971 7.638 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.645 8.265 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.434 4.358 4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.115 3.866 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.804 4.066 4.846 1.00 0.00 H new ATOM 492 N ILE A 35 -1.792 6.813 0.343 1.00 0.00 N ATOM 493 CA ILE A 35 -2.392 7.851 -0.486 1.00 0.00 C ATOM 494 C ILE A 35 -3.794 8.202 -0.005 1.00 0.00 C ATOM 495 O ILE A 35 -4.280 7.658 0.986 1.00 0.00 O ATOM 496 CB ILE A 35 -2.465 7.434 -1.972 1.00 0.00 C ATOM 497 CG1 ILE A 35 -2.513 5.909 -2.116 1.00 0.00 C ATOM 498 CG2 ILE A 35 -1.282 8.004 -2.740 1.00 0.00 C ATOM 499 CD1 ILE A 35 -3.793 5.293 -1.594 1.00 0.00 C ATOM 0 H ILE A 35 -2.213 5.890 0.236 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.746 8.724 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.385 7.840 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.396 5.648 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.667 5.475 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.347 7.702 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.296 9.092 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.354 7.627 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.758 4.212 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.902 5.524 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.643 5.699 -2.143 1.00 0.00 H new ATOM 511 N SER A 36 -4.438 9.119 -0.719 1.00 0.00 N ATOM 512 CA SER A 36 -5.787 9.552 -0.377 1.00 0.00 C ATOM 513 C SER A 36 -6.535 10.009 -1.625 1.00 0.00 C ATOM 514 O SER A 36 -5.942 10.569 -2.545 1.00 0.00 O ATOM 515 CB SER A 36 -5.739 10.687 0.647 1.00 0.00 C ATOM 516 OG SER A 36 -5.202 11.868 0.077 1.00 0.00 O ATOM 0 H SER A 36 -4.045 9.578 -1.541 1.00 0.00 H new ATOM 0 HA SER A 36 -6.317 8.705 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.743 10.885 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.134 10.384 1.501 1.00 0.00 H new ATOM 0 HG SER A 36 -5.184 12.578 0.752 1.00 0.00 H new ATOM 522 N ALA A 37 -7.840 9.763 -1.649 1.00 0.00 N ATOM 523 CA ALA A 37 -8.668 10.147 -2.786 1.00 0.00 C ATOM 524 C ALA A 37 -8.284 9.367 -4.043 1.00 0.00 C ATOM 525 O ALA A 37 -8.623 9.768 -5.157 1.00 0.00 O ATOM 526 CB ALA A 37 -8.561 11.644 -3.039 1.00 0.00 C ATOM 0 H ALA A 37 -8.347 9.300 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.702 9.903 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.185 11.915 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.897 12.187 -2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.524 11.904 -3.252 1.00 0.00 H new ATOM 532 N SER A 38 -7.578 8.251 -3.859 1.00 0.00 N ATOM 533 CA SER A 38 -7.149 7.407 -4.976 1.00 0.00 C ATOM 534 C SER A 38 -5.935 7.996 -5.691 1.00 0.00 C ATOM 535 O SER A 38 -4.920 7.320 -5.859 1.00 0.00 O ATOM 536 CB SER A 38 -8.292 7.203 -5.976 1.00 0.00 C ATOM 537 OG SER A 38 -8.534 5.825 -6.201 1.00 0.00 O ATOM 0 H SER A 38 -7.290 7.909 -2.942 1.00 0.00 H new ATOM 0 HA SER A 38 -6.865 6.441 -4.559 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.198 7.678 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.045 7.691 -6.919 1.00 0.00 H new ATOM 0 HG SER A 38 -9.269 5.722 -6.841 1.00 0.00 H new ATOM 543 N THR A 39 -6.049 9.252 -6.118 1.00 0.00 N ATOM 544 CA THR A 39 -4.964 9.931 -6.826 1.00 0.00 C ATOM 545 C THR A 39 -3.604 9.627 -6.199 1.00 0.00 C ATOM 546 O THR A 39 -3.436 9.713 -4.982 1.00 0.00 O ATOM 547 CB THR A 39 -5.202 11.443 -6.838 1.00 0.00 C ATOM 548 OG1 THR A 39 -4.026 12.133 -7.220 1.00 0.00 O ATOM 549 CG2 THR A 39 -5.641 11.991 -5.498 1.00 0.00 C ATOM 0 H THR A 39 -6.884 9.822 -5.986 1.00 0.00 H new ATOM 0 HA THR A 39 -4.956 9.556 -7.849 1.00 0.00 H new ATOM 0 HB THR A 39 -6.005 11.603 -7.558 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.199 13.098 -7.223 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.792 13.068 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.574 11.515 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.873 11.786 -4.752 1.00 0.00 H new ATOM 557 N CYS A 40 -2.641 9.265 -7.040 1.00 0.00 N ATOM 558 CA CYS A 40 -1.297 8.942 -6.575 1.00 0.00 C ATOM 559 C CYS A 40 -0.257 9.845 -7.234 1.00 0.00 C ATOM 560 O CYS A 40 -0.487 10.384 -8.315 1.00 0.00 O ATOM 561 CB CYS A 40 -0.974 7.475 -6.867 1.00 0.00 C ATOM 562 SG CYS A 40 -1.250 6.356 -5.455 1.00 0.00 S ATOM 0 H CYS A 40 -2.767 9.188 -8.049 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.263 9.109 -5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.583 7.140 -7.706 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.068 7.399 -7.179 1.00 0.00 H new ATOM 567 N PRO A 41 0.902 10.021 -6.575 1.00 0.00 N ATOM 568 CA PRO A 41 1.996 10.864 -7.083 1.00 0.00 C ATOM 569 C PRO A 41 2.421 10.484 -8.510 1.00 0.00 C ATOM 570 O PRO A 41 1.576 10.332 -9.391 1.00 0.00 O ATOM 571 CB PRO A 41 3.128 10.607 -6.077 1.00 0.00 C ATOM 572 CG PRO A 41 2.441 10.183 -4.829 1.00 0.00 C ATOM 573 CD PRO A 41 1.228 9.417 -5.271 1.00 0.00 C ATOM 0 HA PRO A 41 1.709 11.913 -7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.808 9.834 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.724 11.505 -5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.093 9.562 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.160 11.046 -4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.437 8.351 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.406 9.521 -4.563 1.00 0.00 H new ATOM 581 N SER A 42 3.732 10.340 -8.741 1.00 0.00 N ATOM 582 CA SER A 42 4.253 9.988 -10.062 1.00 0.00 C ATOM 583 C SER A 42 3.380 8.941 -10.754 1.00 0.00 C ATOM 584 O SER A 42 2.553 9.279 -11.601 1.00 0.00 O ATOM 585 CB SER A 42 5.689 9.471 -9.942 1.00 0.00 C ATOM 586 OG SER A 42 6.599 10.538 -9.736 1.00 0.00 O ATOM 0 H SER A 42 4.450 10.463 -8.027 1.00 0.00 H new ATOM 0 HA SER A 42 4.240 10.891 -10.672 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.757 8.766 -9.114 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.960 8.927 -10.847 1.00 0.00 H new ATOM 0 HG SER A 42 7.509 10.182 -9.661 1.00 0.00 H new ATOM 592 N ASP A 43 3.564 7.673 -10.394 1.00 0.00 N ATOM 593 CA ASP A 43 2.784 6.595 -10.991 1.00 0.00 C ATOM 594 C ASP A 43 3.148 5.240 -10.386 1.00 0.00 C ATOM 595 O ASP A 43 3.419 4.279 -11.108 1.00 0.00 O ATOM 596 CB ASP A 43 2.994 6.568 -12.509 1.00 0.00 C ATOM 597 CG ASP A 43 1.853 7.224 -13.262 1.00 0.00 C ATOM 598 OD1 ASP A 43 0.697 6.782 -13.092 1.00 0.00 O ATOM 599 OD2 ASP A 43 2.115 8.181 -14.021 1.00 0.00 O ATOM 0 H ASP A 43 4.243 7.369 -9.696 1.00 0.00 H new ATOM 0 HA ASP A 43 1.732 6.786 -10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.927 7.076 -12.753 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.098 5.535 -12.840 1.00 0.00 H new ATOM 604 N TYR A 44 3.143 5.161 -9.058 1.00 0.00 N ATOM 605 CA TYR A 44 3.463 3.922 -8.371 1.00 0.00 C ATOM 606 C TYR A 44 2.273 3.438 -7.539 1.00 0.00 C ATOM 607 O TYR A 44 2.352 3.348 -6.314 1.00 0.00 O ATOM 608 CB TYR A 44 4.698 4.111 -7.486 1.00 0.00 C ATOM 609 CG TYR A 44 4.473 4.990 -6.276 1.00 0.00 C ATOM 610 CD1 TYR A 44 4.279 6.358 -6.412 1.00 0.00 C ATOM 611 CD2 TYR A 44 4.455 4.448 -4.997 1.00 0.00 C ATOM 612 CE1 TYR A 44 4.075 7.161 -5.305 1.00 0.00 C ATOM 613 CE2 TYR A 44 4.252 5.244 -3.886 1.00 0.00 C ATOM 614 CZ TYR A 44 4.062 6.599 -4.047 1.00 0.00 C ATOM 615 OH TYR A 44 3.859 7.397 -2.945 1.00 0.00 O ATOM 0 H TYR A 44 2.921 5.942 -8.440 1.00 0.00 H new ATOM 0 HA TYR A 44 3.684 3.160 -9.119 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.042 3.133 -7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.499 4.541 -8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.288 6.801 -7.397 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.602 3.386 -4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.927 8.224 -5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.242 4.807 -2.898 1.00 0.00 H new ATOM 0 HH TYR A 44 2.897 7.491 -2.782 1.00 0.00 H new ATOM 625 N PRO A 45 1.147 3.122 -8.202 1.00 0.00 N ATOM 626 CA PRO A 45 -0.066 2.650 -7.524 1.00 0.00 C ATOM 627 C PRO A 45 0.059 1.223 -7.001 1.00 0.00 C ATOM 628 O PRO A 45 -0.665 0.823 -6.093 1.00 0.00 O ATOM 629 CB PRO A 45 -1.128 2.719 -8.621 1.00 0.00 C ATOM 630 CG PRO A 45 -0.368 2.544 -9.888 1.00 0.00 C ATOM 631 CD PRO A 45 0.964 3.204 -9.665 1.00 0.00 C ATOM 0 HA PRO A 45 -0.291 3.250 -6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.878 1.938 -8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.655 3.673 -8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.245 1.488 -10.127 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.895 3.001 -10.726 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.762 2.688 -10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.964 4.237 -10.012 1.00 0.00 H new ATOM 639 N LYS A 46 0.977 0.456 -7.579 1.00 0.00 N ATOM 640 CA LYS A 46 1.182 -0.929 -7.171 1.00 0.00 C ATOM 641 C LYS A 46 2.638 -1.346 -7.348 1.00 0.00 C ATOM 642 O LYS A 46 3.147 -1.249 -8.485 1.00 0.00 O ATOM 643 CB LYS A 46 0.272 -1.854 -7.973 1.00 0.00 C ATOM 644 CG LYS A 46 0.496 -3.332 -7.695 1.00 0.00 C ATOM 645 CD LYS A 46 -0.367 -4.205 -8.590 1.00 0.00 C ATOM 646 CE LYS A 46 -0.329 -5.661 -8.153 1.00 0.00 C ATOM 647 NZ LYS A 46 -1.651 -6.325 -8.319 1.00 0.00 N ATOM 648 OXT LYS A 46 3.256 -1.766 -6.348 1.00 0.00 O ATOM 0 H LYS A 46 1.591 0.770 -8.331 1.00 0.00 H new ATOM 0 HA LYS A 46 0.932 -1.009 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.766 -1.606 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.426 -1.667 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.547 -3.577 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.270 -3.545 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.395 -3.845 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.022 -4.124 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.421 -6.195 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.022 -5.719 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.583 -7.316 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.362 -5.831 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.932 -6.293 -9.320 1.00 0.00 H new