USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 195 ASN :FLIP amide:sc= -1.23! C(o=-7.5!,f=-0.92!) USER MOD Set 1.2: A 203 ASN :FLIP amide:sc= 0.308 F(o=-4.6!,f=-0.92) USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= -1.37! C(o=-1.4!,f=-7.1!) USER MOD Single : A 198 ASN : amide:sc= -1.45! C(o=-1.5!,f=-6.5!) USER MOD Single : A 202 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 SER OG : rot 180:sc= 0 USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN :FLIP amide:sc= -1.82! C(o=-8.5!,f=-1.8!) USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 THR OG1 : rot 76:sc= 0.00928 USER MOD Single : A 220 SER OG : rot 180:sc= -0.585 USER MOD Single : A 224 LYS NZ :NH3+ -160:sc= -0.089 (180deg=-0.703) USER MOD Single : A 225 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-13!) USER MOD Single : A 229 LYS NZ :NH3+ -108:sc= -3.28! (180deg=-7.43!) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 165:sc= -2.7! (180deg=-3.85!) USER MOD Single : A 233 GLN : amide:sc= -1.36! C(o=-1.4!,f=-3.4!) USER MOD Single : A 235 THR OG1 : rot 52:sc= 0.398 USER MOD Single : A 241 LYS NZ :NH3+ 161:sc= -0.366 (180deg=-1.22) USER MOD Single : A 243 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 187 22.523 4.861 1.878 1.00 0.00 N ATOM 2 CA GLY A 187 21.107 5.182 1.545 1.00 0.00 C ATOM 3 C GLY A 187 20.452 3.965 0.893 1.00 0.00 C ATOM 4 O GLY A 187 20.029 4.011 -0.245 1.00 0.00 O ATOM 0 HA2 GLY A 187 20.564 5.462 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 187 21.065 6.037 0.870 1.00 0.00 H new ATOM 7 N SER A 188 20.369 2.874 1.602 1.00 0.00 N ATOM 8 CA SER A 188 19.746 1.657 1.017 1.00 0.00 C ATOM 9 C SER A 188 18.232 1.693 1.242 1.00 0.00 C ATOM 10 O SER A 188 17.495 0.912 0.674 1.00 0.00 O ATOM 11 CB SER A 188 20.334 0.417 1.690 1.00 0.00 C ATOM 12 OG SER A 188 21.748 0.427 1.534 1.00 0.00 O ATOM 0 H SER A 188 20.705 2.774 2.560 1.00 0.00 H new ATOM 0 HA SER A 188 19.948 1.624 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 188 20.073 0.404 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 188 19.914 -0.486 1.247 1.00 0.00 H new ATOM 0 HG SER A 188 22.130 -0.366 1.965 1.00 0.00 H new ATOM 18 N CYS A 189 17.757 2.597 2.054 1.00 0.00 N ATOM 19 CA CYS A 189 16.288 2.677 2.291 1.00 0.00 C ATOM 20 C CYS A 189 15.597 3.104 0.996 1.00 0.00 C ATOM 21 O CYS A 189 14.538 2.617 0.653 1.00 0.00 O ATOM 22 CB CYS A 189 15.999 3.702 3.388 1.00 0.00 C ATOM 23 SG CYS A 189 16.432 3.007 5.005 1.00 0.00 S ATOM 0 H CYS A 189 18.319 3.280 2.561 1.00 0.00 H new ATOM 0 HA CYS A 189 15.913 1.703 2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 189 16.571 4.612 3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 189 14.945 3.979 3.371 1.00 0.00 H new ATOM 28 N ALA A 190 16.196 4.010 0.275 1.00 0.00 N ATOM 29 CA ALA A 190 15.592 4.481 -1.004 1.00 0.00 C ATOM 30 C ALA A 190 14.068 4.561 -0.876 1.00 0.00 C ATOM 31 O ALA A 190 13.524 5.533 -0.389 1.00 0.00 O ATOM 32 CB ALA A 190 15.944 3.506 -2.128 1.00 0.00 C ATOM 0 H ALA A 190 17.085 4.448 0.518 1.00 0.00 H new ATOM 0 HA ALA A 190 15.987 5.471 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 190 15.501 3.852 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 190 17.027 3.453 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 190 15.555 2.517 -1.887 1.00 0.00 H new ATOM 38 N SER A 191 13.381 3.552 -1.338 1.00 0.00 N ATOM 39 CA SER A 191 11.891 3.561 -1.286 1.00 0.00 C ATOM 40 C SER A 191 11.378 3.137 0.096 1.00 0.00 C ATOM 41 O SER A 191 10.185 3.048 0.309 1.00 0.00 O ATOM 42 CB SER A 191 11.350 2.595 -2.340 1.00 0.00 C ATOM 43 OG SER A 191 11.560 1.258 -1.905 1.00 0.00 O ATOM 0 H SER A 191 13.791 2.715 -1.753 1.00 0.00 H new ATOM 0 HA SER A 191 11.546 4.576 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 191 10.287 2.774 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 191 11.851 2.762 -3.294 1.00 0.00 H new ATOM 0 HG SER A 191 11.212 0.637 -2.578 1.00 0.00 H new ATOM 49 N CYS A 192 12.246 2.868 1.033 1.00 0.00 N ATOM 50 CA CYS A 192 11.758 2.444 2.381 1.00 0.00 C ATOM 51 C CYS A 192 12.419 3.291 3.479 1.00 0.00 C ATOM 52 O CYS A 192 13.308 2.839 4.174 1.00 0.00 O ATOM 53 CB CYS A 192 12.087 0.963 2.588 1.00 0.00 C ATOM 54 SG CYS A 192 13.126 0.385 1.222 1.00 0.00 S ATOM 0 H CYS A 192 13.259 2.922 0.929 1.00 0.00 H new ATOM 0 HA CYS A 192 10.679 2.591 2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 192 12.603 0.822 3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 192 11.169 0.378 2.635 1.00 0.00 H new ATOM 59 N PRO A 193 11.973 4.509 3.632 1.00 0.00 N ATOM 60 CA PRO A 193 12.515 5.456 4.658 1.00 0.00 C ATOM 61 C PRO A 193 12.360 4.928 6.094 1.00 0.00 C ATOM 62 O PRO A 193 13.314 4.862 6.845 1.00 0.00 O ATOM 63 CB PRO A 193 11.677 6.729 4.478 1.00 0.00 C ATOM 64 CG PRO A 193 11.033 6.614 3.134 1.00 0.00 C ATOM 65 CD PRO A 193 10.907 5.123 2.833 1.00 0.00 C ATOM 0 HA PRO A 193 13.585 5.611 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 193 10.927 6.816 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 193 12.303 7.619 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 193 10.054 7.093 3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 193 11.634 7.113 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 193 9.926 4.740 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 193 11.036 4.918 1.770 1.00 0.00 H new ATOM 73 N ASN A 194 11.167 4.563 6.483 1.00 0.00 N ATOM 74 CA ASN A 194 10.954 4.051 7.869 1.00 0.00 C ATOM 75 C ASN A 194 10.786 2.530 7.837 1.00 0.00 C ATOM 76 O ASN A 194 10.573 1.897 8.852 1.00 0.00 O ATOM 77 CB ASN A 194 9.691 4.690 8.454 1.00 0.00 C ATOM 78 CG ASN A 194 8.450 4.062 7.817 1.00 0.00 C ATOM 79 OD1 ASN A 194 8.543 3.392 6.807 1.00 0.00 O ATOM 80 ND2 ASN A 194 7.285 4.253 8.368 1.00 0.00 N ATOM 0 H ASN A 194 10.330 4.597 5.901 1.00 0.00 H new ATOM 0 HA ASN A 194 11.816 4.305 8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 194 9.668 4.548 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 194 9.699 5.765 8.274 1.00 0.00 H new ATOM 0 HD21 ASN A 194 6.450 3.840 7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 194 7.208 4.815 9.215 1.00 0.00 H new ATOM 87 N ASN A 195 10.876 1.940 6.679 1.00 0.00 N ATOM 88 CA ASN A 195 10.713 0.462 6.582 1.00 0.00 C ATOM 89 C ASN A 195 12.062 -0.233 6.774 1.00 0.00 C ATOM 90 O ASN A 195 12.181 -1.430 6.599 1.00 0.00 O ATOM 91 CB ASN A 195 10.140 0.100 5.212 1.00 0.00 C ATOM 92 CG ASN A 195 8.679 -0.315 5.378 1.00 0.00 C ATOM 93 OD1 ASN A 195 8.351 -1.106 6.363 1.00 0.00 O flip ATOM 94 ND2 ASN A 195 7.829 0.082 4.606 1.00 0.00 N flip ATOM 0 H ASN A 195 11.055 2.416 5.795 1.00 0.00 H new ATOM 0 HA ASN A 195 10.030 0.129 7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 195 10.215 0.951 4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.714 -0.713 4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 195 8.087 0.700 3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 195 6.857 -0.203 4.727 1.00 0.00 H new ATOM 101 N CYS A 196 13.079 0.498 7.135 1.00 0.00 N ATOM 102 CA CYS A 196 14.411 -0.136 7.338 1.00 0.00 C ATOM 103 C CYS A 196 14.582 -0.489 8.820 1.00 0.00 C ATOM 104 O CYS A 196 14.728 0.378 9.658 1.00 0.00 O ATOM 105 CB CYS A 196 15.510 0.845 6.917 1.00 0.00 C ATOM 106 SG CYS A 196 15.215 1.405 5.218 1.00 0.00 S ATOM 0 H CYS A 196 13.046 1.504 7.298 1.00 0.00 H new ATOM 0 HA CYS A 196 14.482 -1.042 6.736 1.00 0.00 H new ATOM 0 HB2 CYS A 196 15.526 1.699 7.594 1.00 0.00 H new ATOM 0 HB3 CYS A 196 16.486 0.364 6.987 1.00 0.00 H new ATOM 111 N GLU A 197 14.570 -1.754 9.154 1.00 0.00 N ATOM 112 CA GLU A 197 14.741 -2.142 10.585 1.00 0.00 C ATOM 113 C GLU A 197 16.143 -1.728 11.041 1.00 0.00 C ATOM 114 O GLU A 197 16.343 -1.267 12.148 1.00 0.00 O ATOM 115 CB GLU A 197 14.577 -3.659 10.728 1.00 0.00 C ATOM 116 CG GLU A 197 13.139 -4.055 10.381 1.00 0.00 C ATOM 117 CD GLU A 197 12.959 -5.557 10.612 1.00 0.00 C ATOM 118 OE1 GLU A 197 11.821 -6.000 10.646 1.00 0.00 O ATOM 119 OE2 GLU A 197 13.960 -6.240 10.752 1.00 0.00 O ATOM 0 H GLU A 197 14.450 -2.530 8.502 1.00 0.00 H new ATOM 0 HA GLU A 197 13.990 -1.645 11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 197 15.276 -4.174 10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 197 14.814 -3.966 11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 197 12.436 -3.494 10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 197 12.922 -3.806 9.342 1.00 0.00 H new ATOM 127 N ASN A 198 17.108 -1.878 10.179 1.00 0.00 N ATOM 128 CA ASN A 198 18.505 -1.488 10.520 1.00 0.00 C ATOM 129 C ASN A 198 19.209 -1.056 9.234 1.00 0.00 C ATOM 130 O ASN A 198 20.381 -1.306 9.036 1.00 0.00 O ATOM 131 CB ASN A 198 19.242 -2.676 11.142 1.00 0.00 C ATOM 132 CG ASN A 198 19.561 -3.704 10.055 1.00 0.00 C ATOM 133 OD1 ASN A 198 19.019 -3.643 8.968 1.00 0.00 O ATOM 134 ND2 ASN A 198 20.423 -4.651 10.304 1.00 0.00 N ATOM 0 H ASN A 198 16.987 -2.259 9.241 1.00 0.00 H new ATOM 0 HA ASN A 198 18.500 -0.669 11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 198 20.162 -2.338 11.619 1.00 0.00 H new ATOM 0 HB3 ASN A 198 18.629 -3.131 11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 198 20.643 -5.342 9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 198 20.877 -4.701 11.216 1.00 0.00 H new ATOM 141 N GLY A 199 18.487 -0.418 8.354 1.00 0.00 N ATOM 142 CA GLY A 199 19.086 0.028 7.066 1.00 0.00 C ATOM 143 C GLY A 199 18.702 -0.962 5.963 1.00 0.00 C ATOM 144 O GLY A 199 19.066 -0.803 4.815 1.00 0.00 O ATOM 0 H GLY A 199 17.501 -0.185 8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 199 18.732 1.028 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 199 20.171 0.087 7.157 1.00 0.00 H new ATOM 148 N LEU A 200 17.963 -1.983 6.310 1.00 0.00 N ATOM 149 CA LEU A 200 17.544 -2.990 5.294 1.00 0.00 C ATOM 150 C LEU A 200 16.020 -2.969 5.158 1.00 0.00 C ATOM 151 O LEU A 200 15.306 -3.053 6.137 1.00 0.00 O ATOM 152 CB LEU A 200 17.981 -4.383 5.754 1.00 0.00 C ATOM 153 CG LEU A 200 17.748 -5.395 4.630 1.00 0.00 C ATOM 154 CD1 LEU A 200 18.705 -5.110 3.471 1.00 0.00 C ATOM 155 CD2 LEU A 200 18.002 -6.807 5.163 1.00 0.00 C ATOM 0 H LEU A 200 17.631 -2.162 7.258 1.00 0.00 H new ATOM 0 HA LEU A 200 18.005 -2.753 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 200 19.035 -4.370 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 200 17.420 -4.676 6.642 1.00 0.00 H new ATOM 0 HG LEU A 200 16.720 -5.313 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 200 18.536 -5.833 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 200 18.528 -4.103 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 200 19.734 -5.190 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 200 17.837 -7.532 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 200 19.030 -6.883 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 200 17.319 -7.013 5.987 1.00 0.00 H new ATOM 167 N CYS A 201 15.514 -2.873 3.961 1.00 0.00 N ATOM 168 CA CYS A 201 14.034 -2.862 3.787 1.00 0.00 C ATOM 169 C CYS A 201 13.508 -4.287 3.965 1.00 0.00 C ATOM 170 O CYS A 201 13.923 -5.201 3.280 1.00 0.00 O ATOM 171 CB CYS A 201 13.689 -2.355 2.385 1.00 0.00 C ATOM 172 SG CYS A 201 14.527 -0.776 2.100 1.00 0.00 S ATOM 0 H CYS A 201 16.056 -2.802 3.100 1.00 0.00 H new ATOM 0 HA CYS A 201 13.576 -2.205 4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 201 13.997 -3.084 1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 201 12.611 -2.231 2.285 1.00 0.00 H new ATOM 177 N THR A 202 12.607 -4.488 4.885 1.00 0.00 N ATOM 178 CA THR A 202 12.068 -5.860 5.109 1.00 0.00 C ATOM 179 C THR A 202 10.676 -5.982 4.487 1.00 0.00 C ATOM 180 O THR A 202 10.110 -7.055 4.422 1.00 0.00 O ATOM 181 CB THR A 202 11.978 -6.126 6.614 1.00 0.00 C ATOM 182 OG1 THR A 202 11.053 -5.220 7.200 1.00 0.00 O ATOM 183 CG2 THR A 202 13.357 -5.937 7.251 1.00 0.00 C ATOM 0 H THR A 202 12.221 -3.764 5.491 1.00 0.00 H new ATOM 0 HA THR A 202 12.732 -6.589 4.643 1.00 0.00 H new ATOM 0 HB THR A 202 11.640 -7.148 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 202 10.993 -5.391 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 202 13.292 -6.127 8.322 1.00 0.00 H new ATOM 0 HG22 THR A 202 14.064 -6.634 6.801 1.00 0.00 H new ATOM 0 HG23 THR A 202 13.698 -4.915 7.083 1.00 0.00 H new ATOM 191 N ASN A 203 10.117 -4.895 4.033 1.00 0.00 N ATOM 192 CA ASN A 203 8.760 -4.954 3.420 1.00 0.00 C ATOM 193 C ASN A 203 8.860 -4.739 1.911 1.00 0.00 C ATOM 194 O ASN A 203 9.682 -3.985 1.431 1.00 0.00 O ATOM 195 CB ASN A 203 7.873 -3.877 4.040 1.00 0.00 C ATOM 196 CG ASN A 203 7.631 -4.214 5.512 1.00 0.00 C ATOM 197 OD1 ASN A 203 7.222 -5.411 5.836 1.00 0.00 O flip ATOM 198 ND2 ASN A 203 7.816 -3.382 6.377 1.00 0.00 N flip ATOM 0 H ASN A 203 10.541 -3.968 4.060 1.00 0.00 H new ATOM 0 HA ASN A 203 8.323 -5.934 3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 203 8.349 -2.901 3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 203 6.924 -3.818 3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 203 8.136 -2.447 6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 203 7.652 -3.619 7.356 1.00 0.00 H new ATOM 205 N SER A 204 8.026 -5.402 1.161 1.00 0.00 N ATOM 206 CA SER A 204 8.065 -5.241 -0.314 1.00 0.00 C ATOM 207 C SER A 204 6.706 -5.625 -0.891 1.00 0.00 C ATOM 208 O SER A 204 6.288 -6.764 -0.817 1.00 0.00 O ATOM 209 CB SER A 204 9.149 -6.152 -0.887 1.00 0.00 C ATOM 210 OG SER A 204 9.313 -5.874 -2.270 1.00 0.00 O ATOM 0 H SER A 204 7.318 -6.049 1.509 1.00 0.00 H new ATOM 0 HA SER A 204 8.289 -4.207 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 204 10.089 -5.994 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 204 8.875 -7.197 -0.744 1.00 0.00 H new ATOM 0 HG SER A 204 10.009 -6.456 -2.640 1.00 0.00 H new ATOM 216 N CYS A 205 6.011 -4.683 -1.461 1.00 0.00 N ATOM 217 CA CYS A 205 4.677 -4.989 -2.040 1.00 0.00 C ATOM 218 C CYS A 205 4.692 -4.683 -3.534 1.00 0.00 C ATOM 219 O CYS A 205 5.333 -3.756 -3.985 1.00 0.00 O ATOM 220 CB CYS A 205 3.617 -4.124 -1.356 1.00 0.00 C ATOM 221 SG CYS A 205 1.981 -4.541 -2.014 1.00 0.00 S ATOM 0 H CYS A 205 6.311 -3.712 -1.551 1.00 0.00 H new ATOM 0 HA CYS A 205 4.444 -6.043 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 205 3.640 -4.286 -0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 205 3.830 -3.068 -1.524 1.00 0.00 H new ATOM 226 N ASP A 206 3.984 -5.453 -4.306 1.00 0.00 N ATOM 227 CA ASP A 206 3.944 -5.210 -5.771 1.00 0.00 C ATOM 228 C ASP A 206 3.367 -3.819 -6.038 1.00 0.00 C ATOM 229 O ASP A 206 3.650 -3.206 -7.047 1.00 0.00 O ATOM 230 CB ASP A 206 3.064 -6.267 -6.435 1.00 0.00 C ATOM 231 CG ASP A 206 3.752 -7.630 -6.347 1.00 0.00 C ATOM 232 OD1 ASP A 206 4.927 -7.658 -6.021 1.00 0.00 O ATOM 233 OD2 ASP A 206 3.092 -8.622 -6.607 1.00 0.00 O ATOM 0 H ASP A 206 3.428 -6.245 -3.984 1.00 0.00 H new ATOM 0 HA ASP A 206 4.952 -5.269 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 206 2.091 -6.306 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 206 2.885 -6.004 -7.478 1.00 0.00 H new ATOM 239 N PHE A 207 2.548 -3.323 -5.150 1.00 0.00 N ATOM 240 CA PHE A 207 1.942 -1.980 -5.375 1.00 0.00 C ATOM 241 C PHE A 207 2.620 -0.918 -4.529 1.00 0.00 C ATOM 242 O PHE A 207 3.075 -1.165 -3.430 1.00 0.00 O ATOM 243 CB PHE A 207 0.466 -2.005 -4.995 1.00 0.00 C ATOM 244 CG PHE A 207 -0.324 -2.682 -6.073 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.255 -2.210 -7.387 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.121 -3.782 -5.761 1.00 0.00 C ATOM 247 CE1 PHE A 207 -0.988 -2.843 -8.393 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.855 -4.418 -6.766 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.788 -3.950 -8.083 1.00 0.00 C ATOM 0 H PHE A 207 2.274 -3.787 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 207 2.069 -1.740 -6.431 1.00 0.00 H new ATOM 0 HB2 PHE A 207 0.333 -2.531 -4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.102 -0.988 -4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.364 -1.357 -7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.171 -4.142 -4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -0.938 -2.479 -9.409 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.474 -5.270 -6.526 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.353 -4.442 -8.860 1.00 0.00 H new ATOM 259 N GLU A 208 2.658 0.279 -5.034 1.00 0.00 N ATOM 260 CA GLU A 208 3.266 1.395 -4.274 1.00 0.00 C ATOM 261 C GLU A 208 2.377 2.630 -4.441 1.00 0.00 C ATOM 262 O GLU A 208 1.825 2.870 -5.498 1.00 0.00 O ATOM 263 CB GLU A 208 4.669 1.680 -4.806 1.00 0.00 C ATOM 264 CG GLU A 208 5.540 0.431 -4.652 1.00 0.00 C ATOM 265 CD GLU A 208 6.976 0.763 -5.058 1.00 0.00 C ATOM 266 OE1 GLU A 208 7.841 -0.066 -4.834 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.185 1.843 -5.586 1.00 0.00 O ATOM 0 H GLU A 208 2.289 0.532 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 208 3.345 1.134 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.619 1.973 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 208 5.112 2.514 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 208 5.514 0.080 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.152 -0.376 -5.273 1.00 0.00 H new ATOM 275 N ASP A 209 2.221 3.408 -3.407 1.00 0.00 N ATOM 276 CA ASP A 209 1.354 4.613 -3.513 1.00 0.00 C ATOM 277 C ASP A 209 2.098 5.712 -4.270 1.00 0.00 C ATOM 278 O ASP A 209 3.054 6.284 -3.783 1.00 0.00 O ATOM 279 CB ASP A 209 0.996 5.107 -2.110 1.00 0.00 C ATOM 280 CG ASP A 209 0.194 4.026 -1.379 1.00 0.00 C ATOM 281 OD1 ASP A 209 0.177 4.052 -0.161 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.392 3.195 -2.053 1.00 0.00 O ATOM 0 H ASP A 209 2.655 3.262 -2.496 1.00 0.00 H new ATOM 0 HA ASP A 209 0.441 4.359 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.903 5.342 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.414 6.026 -2.174 1.00 0.00 H new ATOM 288 N LEU A 210 1.655 6.015 -5.455 1.00 0.00 N ATOM 289 CA LEU A 210 2.312 7.083 -6.254 1.00 0.00 C ATOM 290 C LEU A 210 2.148 8.420 -5.528 1.00 0.00 C ATOM 291 O LEU A 210 2.965 9.311 -5.650 1.00 0.00 O ATOM 292 CB LEU A 210 1.665 7.139 -7.639 1.00 0.00 C ATOM 293 CG LEU A 210 2.285 6.059 -8.529 1.00 0.00 C ATOM 294 CD1 LEU A 210 2.117 4.693 -7.866 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.579 6.051 -9.885 1.00 0.00 C ATOM 0 H LEU A 210 0.860 5.565 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 210 3.375 6.873 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.589 6.986 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.814 8.123 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 210 3.345 6.269 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.559 3.924 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.616 4.695 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 210 1.056 4.484 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 210 2.019 5.282 -10.520 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.519 5.840 -9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.694 7.025 -10.361 1.00 0.00 H new ATOM 307 N LEU A 211 1.102 8.555 -4.760 1.00 0.00 N ATOM 308 CA LEU A 211 0.887 9.819 -4.003 1.00 0.00 C ATOM 309 C LEU A 211 1.129 9.549 -2.518 1.00 0.00 C ATOM 310 O LEU A 211 0.784 8.502 -2.006 1.00 0.00 O ATOM 311 CB LEU A 211 -0.548 10.312 -4.202 1.00 0.00 C ATOM 312 CG LEU A 211 -0.815 10.527 -5.692 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.219 11.099 -5.880 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.216 11.507 -6.262 1.00 0.00 C ATOM 0 H LEU A 211 0.385 7.842 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 211 1.576 10.582 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.252 9.585 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.702 11.243 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.737 9.574 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.410 11.253 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.953 10.402 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.297 12.052 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.025 11.659 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.140 12.460 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.218 11.099 -6.129 1.00 0.00 H new ATOM 326 N SER A 212 1.720 10.476 -1.824 1.00 0.00 N ATOM 327 CA SER A 212 1.982 10.260 -0.375 1.00 0.00 C ATOM 328 C SER A 212 0.730 10.608 0.428 1.00 0.00 C ATOM 329 O SER A 212 0.714 10.513 1.639 1.00 0.00 O ATOM 330 CB SER A 212 3.134 11.153 0.070 1.00 0.00 C ATOM 331 OG SER A 212 4.360 10.614 -0.407 1.00 0.00 O ATOM 0 H SER A 212 2.033 11.373 -2.195 1.00 0.00 H new ATOM 0 HA SER A 212 2.243 9.215 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 212 2.995 12.164 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.154 11.225 1.157 1.00 0.00 H new ATOM 0 HG SER A 212 5.102 11.188 -0.123 1.00 0.00 H new ATOM 337 N ASN A 213 -0.320 11.005 -0.235 1.00 0.00 N ATOM 338 CA ASN A 213 -1.571 11.353 0.491 1.00 0.00 C ATOM 339 C ASN A 213 -2.668 10.363 0.098 1.00 0.00 C ATOM 340 O ASN A 213 -3.843 10.671 0.137 1.00 0.00 O ATOM 341 CB ASN A 213 -2.003 12.773 0.115 1.00 0.00 C ATOM 342 CG ASN A 213 -2.576 12.780 -1.303 1.00 0.00 C ATOM 343 OD1 ASN A 213 -2.433 11.726 -2.059 1.00 0.00 O flip ATOM 344 ND2 ASN A 213 -3.157 13.759 -1.730 1.00 0.00 N flip ATOM 0 H ASN A 213 -0.365 11.103 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.399 11.303 1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.750 13.135 0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -1.152 13.451 0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -3.269 14.583 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -3.532 13.756 -2.678 1.00 0.00 H new ATOM 351 N CYS A 214 -2.291 9.180 -0.299 1.00 0.00 N ATOM 352 CA CYS A 214 -3.305 8.174 -0.715 1.00 0.00 C ATOM 353 C CYS A 214 -4.286 7.894 0.422 1.00 0.00 C ATOM 354 O CYS A 214 -5.480 7.822 0.210 1.00 0.00 O ATOM 355 CB CYS A 214 -2.597 6.885 -1.118 1.00 0.00 C ATOM 356 SG CYS A 214 -2.075 7.024 -2.840 1.00 0.00 S ATOM 0 H CYS A 214 -1.322 8.866 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.867 8.567 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.734 6.711 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.265 6.033 -0.993 1.00 0.00 H new ATOM 361 N GLU A 215 -3.813 7.749 1.624 1.00 0.00 N ATOM 362 CA GLU A 215 -4.760 7.494 2.737 1.00 0.00 C ATOM 363 C GLU A 215 -5.725 8.674 2.803 1.00 0.00 C ATOM 364 O GLU A 215 -6.902 8.522 3.060 1.00 0.00 O ATOM 365 CB GLU A 215 -3.995 7.381 4.055 1.00 0.00 C ATOM 366 CG GLU A 215 -4.946 6.906 5.154 1.00 0.00 C ATOM 367 CD GLU A 215 -4.217 6.926 6.497 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.826 6.552 7.484 1.00 0.00 O ATOM 369 OE2 GLU A 215 -3.061 7.315 6.513 1.00 0.00 O ATOM 0 H GLU A 215 -2.827 7.795 1.882 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.301 6.563 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -3.166 6.681 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.565 8.346 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.824 7.550 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -5.300 5.899 4.934 1.00 0.00 H new ATOM 377 N SER A 216 -5.225 9.855 2.554 1.00 0.00 N ATOM 378 CA SER A 216 -6.096 11.061 2.578 1.00 0.00 C ATOM 379 C SER A 216 -7.129 10.957 1.454 1.00 0.00 C ATOM 380 O SER A 216 -8.296 11.233 1.641 1.00 0.00 O ATOM 381 CB SER A 216 -5.238 12.308 2.360 1.00 0.00 C ATOM 382 OG SER A 216 -6.035 13.466 2.562 1.00 0.00 O ATOM 0 H SER A 216 -4.245 10.035 2.334 1.00 0.00 H new ATOM 0 HA SER A 216 -6.604 11.129 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.394 12.308 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 216 -4.825 12.308 1.351 1.00 0.00 H new ATOM 0 HG SER A 216 -5.488 14.268 2.425 1.00 0.00 H new ATOM 388 N LEU A 217 -6.700 10.557 0.286 1.00 0.00 N ATOM 389 CA LEU A 217 -7.648 10.429 -0.857 1.00 0.00 C ATOM 390 C LEU A 217 -8.647 9.307 -0.568 1.00 0.00 C ATOM 391 O LEU A 217 -9.810 9.398 -0.907 1.00 0.00 O ATOM 392 CB LEU A 217 -6.864 10.101 -2.133 1.00 0.00 C ATOM 393 CG LEU A 217 -5.857 11.219 -2.419 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.075 10.895 -3.693 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.606 12.541 -2.606 1.00 0.00 C ATOM 0 H LEU A 217 -5.732 10.313 0.075 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.186 11.367 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.344 9.150 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.548 9.990 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.164 11.304 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.360 11.692 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.542 9.953 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.766 10.808 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.891 13.338 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.298 12.452 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.162 12.776 -1.698 1.00 0.00 H new ATOM 407 N LYS A 218 -8.201 8.249 0.056 1.00 0.00 N ATOM 408 CA LYS A 218 -9.126 7.122 0.366 1.00 0.00 C ATOM 409 C LYS A 218 -10.275 7.646 1.228 1.00 0.00 C ATOM 410 O LYS A 218 -11.433 7.411 0.950 1.00 0.00 O ATOM 411 CB LYS A 218 -8.366 6.037 1.141 1.00 0.00 C ATOM 412 CG LYS A 218 -8.983 4.657 0.876 1.00 0.00 C ATOM 413 CD LYS A 218 -10.206 4.436 1.776 1.00 0.00 C ATOM 414 CE LYS A 218 -9.782 4.439 3.247 1.00 0.00 C ATOM 415 NZ LYS A 218 -10.537 3.384 3.984 1.00 0.00 N ATOM 0 H LYS A 218 -7.237 8.117 0.364 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.518 6.701 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.317 6.036 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.395 6.256 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.275 4.577 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.242 3.879 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.943 5.219 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.683 3.488 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -8.710 4.258 3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -9.975 5.416 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -10.249 3.385 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.557 3.576 3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.332 2.454 3.566 1.00 0.00 H new ATOM 429 N THR A 219 -9.956 8.358 2.274 1.00 0.00 N ATOM 430 CA THR A 219 -11.020 8.900 3.161 1.00 0.00 C ATOM 431 C THR A 219 -11.807 9.995 2.435 1.00 0.00 C ATOM 432 O THR A 219 -13.001 10.129 2.607 1.00 0.00 O ATOM 433 CB THR A 219 -10.382 9.477 4.428 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.563 8.488 5.035 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.482 9.900 5.403 1.00 0.00 C ATOM 0 H THR A 219 -9.002 8.587 2.552 1.00 0.00 H new ATOM 0 HA THR A 219 -11.704 8.095 3.430 1.00 0.00 H new ATOM 0 HB THR A 219 -9.774 10.344 4.170 1.00 0.00 H new ATOM 0 HG1 THR A 219 -8.727 8.401 4.531 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.030 10.311 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.111 10.657 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.090 9.034 5.664 1.00 0.00 H new ATOM 443 N SER A 220 -11.152 10.791 1.631 1.00 0.00 N ATOM 444 CA SER A 220 -11.875 11.881 0.909 1.00 0.00 C ATOM 445 C SER A 220 -12.447 11.343 -0.402 1.00 0.00 C ATOM 446 O SER A 220 -13.272 11.971 -1.036 1.00 0.00 O ATOM 447 CB SER A 220 -10.907 13.023 0.605 1.00 0.00 C ATOM 448 OG SER A 220 -10.049 12.637 -0.461 1.00 0.00 O ATOM 0 H SER A 220 -10.151 10.734 1.443 1.00 0.00 H new ATOM 0 HA SER A 220 -12.688 12.246 1.536 1.00 0.00 H new ATOM 0 HB2 SER A 220 -11.460 13.923 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 220 -10.320 13.264 1.491 1.00 0.00 H new ATOM 0 HG SER A 220 -9.427 13.367 -0.661 1.00 0.00 H new ATOM 454 N ALA A 221 -12.014 10.187 -0.816 1.00 0.00 N ATOM 455 CA ALA A 221 -12.528 9.608 -2.086 1.00 0.00 C ATOM 456 C ALA A 221 -12.987 8.172 -1.833 1.00 0.00 C ATOM 457 O ALA A 221 -14.154 7.910 -1.622 1.00 0.00 O ATOM 458 CB ALA A 221 -11.421 9.624 -3.145 1.00 0.00 C ATOM 0 H ALA A 221 -11.324 9.616 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.370 10.200 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.800 9.199 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.100 10.651 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.574 9.033 -2.795 1.00 0.00 H new ATOM 464 N GLY A 222 -12.079 7.238 -1.850 1.00 0.00 N ATOM 465 CA GLY A 222 -12.470 5.824 -1.605 1.00 0.00 C ATOM 466 C GLY A 222 -11.543 4.895 -2.386 1.00 0.00 C ATOM 467 O GLY A 222 -11.014 5.252 -3.418 1.00 0.00 O ATOM 0 H GLY A 222 -11.086 7.392 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.414 5.600 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.504 5.664 -1.910 1.00 0.00 H new ATOM 471 N CYS A 223 -11.347 3.704 -1.900 1.00 0.00 N ATOM 472 CA CYS A 223 -10.462 2.745 -2.609 1.00 0.00 C ATOM 473 C CYS A 223 -11.171 2.219 -3.854 1.00 0.00 C ATOM 474 O CYS A 223 -10.588 2.117 -4.915 1.00 0.00 O ATOM 475 CB CYS A 223 -10.128 1.587 -1.672 1.00 0.00 C ATOM 476 SG CYS A 223 -8.540 1.917 -0.876 1.00 0.00 S ATOM 0 H CYS A 223 -11.764 3.352 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.542 3.245 -2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -10.910 1.473 -0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -10.083 0.652 -2.230 1.00 0.00 H new ATOM 481 N LYS A 224 -12.427 1.896 -3.739 1.00 0.00 N ATOM 482 CA LYS A 224 -13.169 1.390 -4.922 1.00 0.00 C ATOM 483 C LYS A 224 -13.508 2.577 -5.823 1.00 0.00 C ATOM 484 O LYS A 224 -14.243 2.457 -6.781 1.00 0.00 O ATOM 485 CB LYS A 224 -14.457 0.697 -4.467 1.00 0.00 C ATOM 486 CG LYS A 224 -15.009 -0.156 -5.611 1.00 0.00 C ATOM 487 CD LYS A 224 -16.314 -0.827 -5.176 1.00 0.00 C ATOM 488 CE LYS A 224 -16.719 -1.876 -6.216 1.00 0.00 C ATOM 489 NZ LYS A 224 -16.477 -1.337 -7.585 1.00 0.00 N ATOM 0 H LYS A 224 -12.970 1.961 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 224 -12.559 0.670 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.258 0.072 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -15.195 1.440 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -15.185 0.466 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -14.279 -0.913 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -16.187 -1.296 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -17.102 -0.081 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -16.146 -2.791 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -17.771 -2.135 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -17.043 -1.873 -8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -16.751 -0.334 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -15.468 -1.428 -7.820 1.00 0.00 H new ATOM 503 N HIS A 225 -12.974 3.727 -5.513 1.00 0.00 N ATOM 504 CA HIS A 225 -13.259 4.929 -6.339 1.00 0.00 C ATOM 505 C HIS A 225 -12.799 4.692 -7.781 1.00 0.00 C ATOM 506 O HIS A 225 -13.548 4.894 -8.712 1.00 0.00 O ATOM 507 CB HIS A 225 -12.498 6.127 -5.768 1.00 0.00 C ATOM 508 CG HIS A 225 -12.520 7.239 -6.776 1.00 0.00 C ATOM 509 ND1 HIS A 225 -11.951 7.095 -8.030 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.051 8.505 -6.745 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.152 8.241 -8.702 1.00 0.00 C ATOM 512 NE2 HIS A 225 -12.817 9.131 -7.963 1.00 0.00 N ATOM 0 H HIS A 225 -12.351 3.884 -4.721 1.00 0.00 H new ATOM 0 HA HIS A 225 -14.331 5.125 -6.326 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.956 6.455 -4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.470 5.846 -5.538 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -13.569 8.945 -5.906 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -11.817 8.419 -9.713 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -13.095 10.074 -8.235 1.00 0.00 H new ATOM 521 N GLU A 226 -11.568 4.274 -7.947 1.00 0.00 N ATOM 522 CA GLU A 226 -10.997 4.016 -9.309 1.00 0.00 C ATOM 523 C GLU A 226 -9.657 4.741 -9.427 1.00 0.00 C ATOM 524 O GLU A 226 -8.642 4.146 -9.733 1.00 0.00 O ATOM 525 CB GLU A 226 -11.941 4.513 -10.413 1.00 0.00 C ATOM 526 CG GLU A 226 -11.290 4.298 -11.783 1.00 0.00 C ATOM 527 CD GLU A 226 -12.200 4.870 -12.871 1.00 0.00 C ATOM 528 OE1 GLU A 226 -11.879 4.696 -14.036 1.00 0.00 O ATOM 529 OE2 GLU A 226 -13.200 5.474 -12.522 1.00 0.00 O ATOM 0 H GLU A 226 -10.920 4.097 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.865 2.941 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.889 3.978 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -12.163 5.570 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -10.315 4.785 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -11.122 3.235 -11.956 1.00 0.00 H new ATOM 537 N LEU A 227 -9.645 6.024 -9.188 1.00 0.00 N ATOM 538 CA LEU A 227 -8.370 6.785 -9.287 1.00 0.00 C ATOM 539 C LEU A 227 -7.349 6.192 -8.318 1.00 0.00 C ATOM 540 O LEU A 227 -6.189 6.055 -8.640 1.00 0.00 O ATOM 541 CB LEU A 227 -8.624 8.253 -8.942 1.00 0.00 C ATOM 542 CG LEU A 227 -8.363 9.122 -10.178 1.00 0.00 C ATOM 543 CD1 LEU A 227 -9.297 8.705 -11.318 1.00 0.00 C ATOM 544 CD2 LEU A 227 -8.614 10.589 -9.827 1.00 0.00 C ATOM 0 H LEU A 227 -10.462 6.576 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 227 -7.981 6.719 -10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.651 8.385 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -7.975 8.563 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 227 -7.329 8.990 -10.497 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -9.105 9.327 -12.192 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -9.119 7.660 -11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -10.333 8.831 -11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -8.429 11.210 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -9.648 10.714 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -7.944 10.890 -9.022 1.00 0.00 H new ATOM 556 N LEU A 228 -7.772 5.812 -7.143 1.00 0.00 N ATOM 557 CA LEU A 228 -6.821 5.199 -6.178 1.00 0.00 C ATOM 558 C LEU A 228 -6.302 3.905 -6.784 1.00 0.00 C ATOM 559 O LEU A 228 -5.257 3.398 -6.422 1.00 0.00 O ATOM 560 CB LEU A 228 -7.529 4.896 -4.853 1.00 0.00 C ATOM 561 CG LEU A 228 -7.549 6.154 -3.980 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.696 7.064 -4.416 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.747 5.754 -2.516 1.00 0.00 C ATOM 0 H LEU A 228 -8.733 5.900 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 228 -5.999 5.887 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.547 4.557 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.016 4.088 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.604 6.685 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.708 7.958 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.557 7.350 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.642 6.534 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.761 6.648 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.692 5.222 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.928 5.106 -2.202 1.00 0.00 H new ATOM 575 N LYS A 229 -7.050 3.361 -7.695 1.00 0.00 N ATOM 576 CA LYS A 229 -6.650 2.088 -8.337 1.00 0.00 C ATOM 577 C LYS A 229 -5.471 2.305 -9.290 1.00 0.00 C ATOM 578 O LYS A 229 -4.964 1.366 -9.865 1.00 0.00 O ATOM 579 CB LYS A 229 -7.831 1.529 -9.124 1.00 0.00 C ATOM 580 CG LYS A 229 -7.690 0.012 -9.220 1.00 0.00 C ATOM 581 CD LYS A 229 -7.921 -0.601 -7.837 1.00 0.00 C ATOM 582 CE LYS A 229 -8.976 -1.699 -7.937 1.00 0.00 C ATOM 583 NZ LYS A 229 -9.102 -2.382 -6.620 1.00 0.00 N ATOM 0 H LYS A 229 -7.933 3.750 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.347 1.387 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.768 1.790 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.861 1.968 -10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.410 -0.388 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -6.698 -0.251 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -6.989 -1.012 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.246 0.168 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.935 -1.272 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -8.697 -2.418 -8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -8.686 -3.333 -6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -8.601 -1.831 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -10.107 -2.460 -6.364 1.00 0.00 H new ATOM 597 N THR A 230 -5.040 3.524 -9.495 1.00 0.00 N ATOM 598 CA THR A 230 -3.907 3.734 -10.445 1.00 0.00 C ATOM 599 C THR A 230 -2.697 4.359 -9.738 1.00 0.00 C ATOM 600 O THR A 230 -1.568 4.088 -10.097 1.00 0.00 O ATOM 601 CB THR A 230 -4.369 4.614 -11.611 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.582 4.322 -12.756 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.221 6.091 -11.257 1.00 0.00 C ATOM 0 H THR A 230 -5.414 4.366 -9.056 1.00 0.00 H new ATOM 0 HA THR A 230 -3.594 2.764 -10.832 1.00 0.00 H new ATOM 0 HB THR A 230 -5.419 4.407 -11.817 1.00 0.00 H new ATOM 0 HG1 THR A 230 -3.875 4.881 -13.505 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.554 6.701 -12.096 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.828 6.318 -10.380 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.175 6.310 -11.041 1.00 0.00 H new ATOM 611 N LYS A 231 -2.902 5.174 -8.736 1.00 0.00 N ATOM 612 CA LYS A 231 -1.730 5.773 -8.027 1.00 0.00 C ATOM 613 C LYS A 231 -1.728 5.288 -6.575 1.00 0.00 C ATOM 614 O LYS A 231 -0.700 5.231 -5.929 1.00 0.00 O ATOM 615 CB LYS A 231 -1.794 7.308 -8.065 1.00 0.00 C ATOM 616 CG LYS A 231 -3.231 7.778 -8.272 1.00 0.00 C ATOM 617 CD LYS A 231 -4.082 7.324 -7.093 1.00 0.00 C ATOM 618 CE LYS A 231 -5.133 8.394 -6.785 1.00 0.00 C ATOM 619 NZ LYS A 231 -5.677 8.939 -8.060 1.00 0.00 N ATOM 0 H LYS A 231 -3.818 5.449 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.813 5.460 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.402 7.717 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.163 7.684 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.262 8.864 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.629 7.371 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.568 6.376 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.453 7.154 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.938 7.966 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -4.689 9.196 -6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.552 9.467 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.977 9.575 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -5.883 8.156 -8.713 1.00 0.00 H new ATOM 633 N CYS A 232 -2.874 4.932 -6.063 1.00 0.00 N ATOM 634 CA CYS A 232 -2.950 4.445 -4.657 1.00 0.00 C ATOM 635 C CYS A 232 -3.172 2.930 -4.647 1.00 0.00 C ATOM 636 O CYS A 232 -3.669 2.370 -3.692 1.00 0.00 O ATOM 637 CB CYS A 232 -4.122 5.124 -3.955 1.00 0.00 C ATOM 638 SG CYS A 232 -3.814 6.901 -3.855 1.00 0.00 S ATOM 0 H CYS A 232 -3.764 4.958 -6.560 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.019 4.680 -4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.046 4.934 -4.501 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.251 4.709 -2.955 1.00 0.00 H new ATOM 643 N GLN A 233 -2.821 2.268 -5.711 1.00 0.00 N ATOM 644 CA GLN A 233 -3.027 0.792 -5.780 1.00 0.00 C ATOM 645 C GLN A 233 -2.508 0.110 -4.515 1.00 0.00 C ATOM 646 O GLN A 233 -3.085 -0.849 -4.045 1.00 0.00 O ATOM 647 CB GLN A 233 -2.268 0.244 -6.985 1.00 0.00 C ATOM 648 CG GLN A 233 -2.923 0.754 -8.266 1.00 0.00 C ATOM 649 CD GLN A 233 -2.023 0.447 -9.463 1.00 0.00 C ATOM 650 OE1 GLN A 233 -0.904 0.007 -9.297 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.468 0.669 -10.668 1.00 0.00 N ATOM 0 H GLN A 233 -2.398 2.685 -6.541 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.094 0.591 -5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.225 0.558 -6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.274 -0.846 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -3.897 0.283 -8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.096 1.828 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.409 1.039 -10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -1.875 0.473 -11.475 1.00 0.00 H new ATOM 660 N ALA A 234 -1.426 0.576 -3.959 1.00 0.00 N ATOM 661 CA ALA A 234 -0.895 -0.081 -2.732 1.00 0.00 C ATOM 662 C ALA A 234 -1.766 0.273 -1.531 1.00 0.00 C ATOM 663 O ALA A 234 -1.991 -0.539 -0.656 1.00 0.00 O ATOM 664 CB ALA A 234 0.536 0.381 -2.473 1.00 0.00 C ATOM 0 H ALA A 234 -0.890 1.376 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.906 -1.161 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.918 -0.103 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.164 0.115 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.550 1.462 -2.336 1.00 0.00 H new ATOM 670 N THR A 235 -2.257 1.475 -1.476 1.00 0.00 N ATOM 671 CA THR A 235 -3.110 1.873 -0.329 1.00 0.00 C ATOM 672 C THR A 235 -4.396 1.045 -0.351 1.00 0.00 C ATOM 673 O THR A 235 -5.056 0.876 0.655 1.00 0.00 O ATOM 674 CB THR A 235 -3.434 3.367 -0.433 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.507 4.104 0.351 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.854 3.640 0.065 1.00 0.00 C ATOM 0 H THR A 235 -2.104 2.200 -2.177 1.00 0.00 H new ATOM 0 HA THR A 235 -2.586 1.691 0.610 1.00 0.00 H new ATOM 0 HB THR A 235 -3.363 3.673 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.594 3.845 0.107 1.00 0.00 H new ATOM 0 HG21 THR A 235 -5.069 4.706 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.566 3.079 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.940 3.330 1.106 1.00 0.00 H new ATOM 684 N CYS A 236 -4.759 0.533 -1.497 1.00 0.00 N ATOM 685 CA CYS A 236 -6.008 -0.278 -1.590 1.00 0.00 C ATOM 686 C CYS A 236 -5.682 -1.754 -1.849 1.00 0.00 C ATOM 687 O CYS A 236 -6.009 -2.617 -1.060 1.00 0.00 O ATOM 688 CB CYS A 236 -6.858 0.260 -2.739 1.00 0.00 C ATOM 689 SG CYS A 236 -7.246 1.996 -2.422 1.00 0.00 S ATOM 0 H CYS A 236 -4.245 0.641 -2.372 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.549 -0.205 -0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.322 0.160 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -7.776 -0.320 -2.832 1.00 0.00 H new ATOM 694 N LEU A 237 -5.061 -2.056 -2.957 1.00 0.00 N ATOM 695 CA LEU A 237 -4.741 -3.480 -3.273 1.00 0.00 C ATOM 696 C LEU A 237 -3.766 -4.047 -2.239 1.00 0.00 C ATOM 697 O LEU A 237 -3.805 -5.216 -1.913 1.00 0.00 O ATOM 698 CB LEU A 237 -4.131 -3.559 -4.672 1.00 0.00 C ATOM 699 CG LEU A 237 -5.097 -2.926 -5.676 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.578 -3.139 -7.095 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.475 -3.577 -5.544 1.00 0.00 C ATOM 0 H LEU A 237 -4.761 -1.379 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.656 -4.071 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.173 -3.040 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -3.938 -4.598 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.174 -1.858 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.269 -2.687 -7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.597 -2.675 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.497 -4.207 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.161 -3.125 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.393 -4.645 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -6.854 -3.426 -4.533 1.00 0.00 H new ATOM 713 N CYS A 238 -2.894 -3.230 -1.717 1.00 0.00 N ATOM 714 CA CYS A 238 -1.926 -3.726 -0.698 1.00 0.00 C ATOM 715 C CYS A 238 -2.364 -3.220 0.677 1.00 0.00 C ATOM 716 O CYS A 238 -2.238 -2.052 0.986 1.00 0.00 O ATOM 717 CB CYS A 238 -0.531 -3.190 -1.027 1.00 0.00 C ATOM 718 SG CYS A 238 0.734 -4.341 -0.434 1.00 0.00 S ATOM 0 H CYS A 238 -2.809 -2.241 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 238 -1.900 -4.816 -0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 238 -0.431 -3.051 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 238 -0.390 -2.213 -0.565 1.00 0.00 H new ATOM 723 N GLU A 239 -2.892 -4.083 1.503 1.00 0.00 N ATOM 724 CA GLU A 239 -3.351 -3.634 2.847 1.00 0.00 C ATOM 725 C GLU A 239 -3.239 -4.786 3.848 1.00 0.00 C ATOM 726 O GLU A 239 -2.161 -5.172 4.255 1.00 0.00 O ATOM 727 CB GLU A 239 -4.814 -3.198 2.753 1.00 0.00 C ATOM 728 CG GLU A 239 -5.224 -2.508 4.053 1.00 0.00 C ATOM 729 CD GLU A 239 -4.514 -1.158 4.154 1.00 0.00 C ATOM 730 OE1 GLU A 239 -4.370 -0.669 5.262 1.00 0.00 O ATOM 731 OE2 GLU A 239 -4.126 -0.638 3.122 1.00 0.00 O ATOM 0 H GLU A 239 -3.025 -5.075 1.306 1.00 0.00 H new ATOM 0 HA GLU A 239 -2.730 -2.803 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 239 -4.949 -2.520 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 239 -5.452 -4.063 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 239 -6.304 -2.366 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 239 -4.965 -3.133 4.907 1.00 0.00 H new ATOM 739 N ASP A 240 -4.356 -5.330 4.249 1.00 0.00 N ATOM 740 CA ASP A 240 -4.350 -6.452 5.228 1.00 0.00 C ATOM 741 C ASP A 240 -4.091 -7.775 4.496 1.00 0.00 C ATOM 742 O ASP A 240 -4.382 -8.841 5.002 1.00 0.00 O ATOM 743 CB ASP A 240 -5.708 -6.506 5.935 1.00 0.00 C ATOM 744 CG ASP A 240 -5.685 -7.578 7.027 1.00 0.00 C ATOM 745 OD1 ASP A 240 -4.621 -8.119 7.279 1.00 0.00 O ATOM 746 OD2 ASP A 240 -6.733 -7.838 7.595 1.00 0.00 O ATOM 0 H ASP A 240 -5.283 -5.041 3.936 1.00 0.00 H new ATOM 0 HA ASP A 240 -3.561 -6.294 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -5.939 -5.534 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -6.495 -6.726 5.214 1.00 0.00 H new ATOM 752 N LYS A 241 -3.535 -7.717 3.314 1.00 0.00 N ATOM 753 CA LYS A 241 -3.242 -8.972 2.566 1.00 0.00 C ATOM 754 C LYS A 241 -1.763 -9.301 2.749 1.00 0.00 C ATOM 755 O LYS A 241 -0.904 -8.469 2.537 1.00 0.00 O ATOM 756 CB LYS A 241 -3.548 -8.778 1.077 1.00 0.00 C ATOM 757 CG LYS A 241 -3.447 -10.123 0.351 1.00 0.00 C ATOM 758 CD LYS A 241 -3.810 -9.939 -1.126 1.00 0.00 C ATOM 759 CE LYS A 241 -2.754 -9.072 -1.820 1.00 0.00 C ATOM 760 NZ LYS A 241 -1.398 -9.423 -1.311 1.00 0.00 N ATOM 0 H LYS A 241 -3.272 -6.855 2.836 1.00 0.00 H new ATOM 0 HA LYS A 241 -3.861 -9.786 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -4.547 -8.360 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -2.848 -8.065 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -2.436 -10.521 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -4.117 -10.848 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -3.875 -10.910 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -4.791 -9.471 -1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -2.798 -9.223 -2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -2.959 -8.017 -1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -0.678 -9.088 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -1.246 -8.971 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -1.322 -10.455 -1.208 1.00 0.00 H new ATOM 774 N ILE A 242 -1.448 -10.498 3.158 1.00 0.00 N ATOM 775 CA ILE A 242 -0.017 -10.844 3.367 1.00 0.00 C ATOM 776 C ILE A 242 0.547 -11.507 2.109 1.00 0.00 C ATOM 777 O ILE A 242 -0.072 -12.365 1.510 1.00 0.00 O ATOM 778 CB ILE A 242 0.110 -11.794 4.559 1.00 0.00 C ATOM 779 CG1 ILE A 242 -0.499 -11.138 5.802 1.00 0.00 C ATOM 780 CG2 ILE A 242 1.588 -12.093 4.818 1.00 0.00 C ATOM 781 CD1 ILE A 242 -0.409 -12.103 6.987 1.00 0.00 C ATOM 0 H ILE A 242 -2.114 -11.245 3.355 1.00 0.00 H new ATOM 0 HA ILE A 242 0.548 -9.934 3.570 1.00 0.00 H new ATOM 0 HB ILE A 242 -0.418 -12.722 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 242 0.028 -10.212 6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 242 -1.539 -10.873 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 242 1.679 -12.770 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 242 2.025 -12.558 3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 242 2.114 -11.164 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 242 -0.843 -11.635 7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 242 -0.956 -13.017 6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 242 0.636 -12.345 7.180 1.00 0.00 H new ATOM 793 N HIS A 243 1.723 -11.106 1.707 1.00 0.00 N ATOM 794 CA HIS A 243 2.347 -11.696 0.490 1.00 0.00 C ATOM 795 C HIS A 243 3.767 -12.157 0.821 1.00 0.00 C ATOM 796 O HIS A 243 4.219 -12.029 1.956 1.00 0.00 O ATOM 797 CB HIS A 243 2.400 -10.641 -0.616 1.00 0.00 C ATOM 798 CG HIS A 243 3.353 -11.089 -1.689 1.00 0.00 C ATOM 799 ND1 HIS A 243 3.074 -12.156 -2.532 1.00 0.00 N ATOM 800 CD2 HIS A 243 4.589 -10.625 -2.066 1.00 0.00 C ATOM 801 CE1 HIS A 243 4.122 -12.298 -3.366 1.00 0.00 C ATOM 802 NE2 HIS A 243 5.070 -11.390 -3.122 1.00 0.00 N ATOM 0 H HIS A 243 2.281 -10.390 2.173 1.00 0.00 H new ATOM 0 HA HIS A 243 1.756 -12.548 0.153 1.00 0.00 H new ATOM 0 HB2 HIS A 243 1.406 -10.490 -1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 243 2.721 -9.684 -0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 243 5.108 -9.794 -1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 243 4.187 -13.052 -4.136 1.00 0.00 H new ATOM 0 HE2 HIS A 243 5.960 -11.281 -3.608 1.00 0.00 H new TER 811 HIS A 243