USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 760 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 69 CYS SG : rot 112:sc= 0.202! USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 72:sc= 0.13 USER MOD Set 2.2: A 64 HIS : no HD1:sc= 0.141 K(o=0.27,f=-0.29) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -167:sc= -3.34! (180deg=-3.81!) USER MOD Set 3.2: A 30 THR OG1 : rot 117:sc= 1.01 USER MOD Set 4.1: A 10 HIS : no HD1:sc= -3.91! C(o=-6.7!,f=-16!) USER MOD Set 4.2: A 13 MET CE :methyl -168:sc= -2.81! (180deg=-2.13) USER MOD Single : A 9 TYR OH : rot 6:sc= 0.461 USER MOD Single : A 12 HIS : no HD1:sc= -0.0735 K(o=-0.074,f=-1.4) USER MOD Single : A 14 SER OG : rot -122:sc= 0.328 USER MOD Single : A 17 GLN : amide:sc= -0.0764 K(o=-0.076,f=-1.9!) USER MOD Single : A 20 THR OG1 : rot 85:sc= 0.0372 USER MOD Single : A 23 GLN : amide:sc= -3.06 X(o=-3.1,f=-3.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -58:sc= 0.0417 USER MOD Single : A 51 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.088) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -16:sc= 0.498 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 178:sc= -1.26 (180deg=-1.26) USER MOD Single : A 75 THR OG1 : rot -129:sc= 1.07 USER MOD Single : A 81 THR OG1 : rot 49:sc= 0.128 USER MOD Single : A 84 SER OG : rot 37:sc= 0.852 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.00061) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -78:sc= 1.18 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.41! C(o=-3.4!,f=-4.5!) USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.439 -5.899 -9.525 1.00 0.00 N ATOM 67 CA TRP A 8 3.544 -4.886 -8.481 1.00 0.00 C ATOM 68 C TRP A 8 4.025 -5.501 -7.172 1.00 0.00 C ATOM 69 O TRP A 8 4.185 -4.804 -6.169 1.00 0.00 O ATOM 70 CB TRP A 8 2.194 -4.198 -8.271 1.00 0.00 C ATOM 71 CG TRP A 8 1.024 -5.081 -8.585 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.221 -5.018 -9.687 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.524 -6.159 -7.784 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.748 -5.990 -9.620 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.582 -6.704 -8.463 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.906 -6.717 -6.561 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.309 -7.778 -7.958 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.183 -7.782 -6.060 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.914 -8.306 -6.758 1.00 0.00 C ATOM 0 HA TRP A 8 4.275 -4.144 -8.802 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.121 -3.864 -7.236 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.147 -3.307 -8.897 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.331 -4.308 -10.493 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.473 -6.153 -10.318 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.752 -6.322 -6.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.155 -8.181 -8.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.468 -8.219 -5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.457 -9.141 -6.342 1.00 0.00 H new ATOM 90 N TYR A 9 4.252 -6.810 -7.186 1.00 0.00 N ATOM 91 CA TYR A 9 4.712 -7.519 -5.999 1.00 0.00 C ATOM 92 C TYR A 9 6.181 -7.219 -5.720 1.00 0.00 C ATOM 93 O TYR A 9 7.069 -7.680 -6.437 1.00 0.00 O ATOM 94 CB TYR A 9 4.512 -9.026 -6.169 1.00 0.00 C ATOM 95 CG TYR A 9 4.506 -9.788 -4.863 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.489 -9.605 -3.934 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.517 -10.690 -4.558 1.00 0.00 C ATOM 98 CE1 TYR A 9 3.480 -10.298 -2.739 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.517 -11.389 -3.366 1.00 0.00 C ATOM 100 CZ TYR A 9 4.495 -11.189 -2.460 1.00 0.00 C ATOM 101 OH TYR A 9 4.491 -11.882 -1.271 1.00 0.00 O ATOM 0 H TYR A 9 4.125 -7.401 -8.007 1.00 0.00 H new ATOM 0 HA TYR A 9 4.121 -7.174 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.569 -9.203 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.304 -9.419 -6.806 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.692 -8.909 -4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.318 -10.848 -5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.683 -10.143 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.311 -12.087 -3.145 1.00 0.00 H new ATOM 0 HH TYR A 9 3.658 -11.699 -0.788 1.00 0.00 H new ATOM 111 N HIS A 10 6.431 -6.441 -4.670 1.00 0.00 N ATOM 112 CA HIS A 10 7.793 -6.080 -4.294 1.00 0.00 C ATOM 113 C HIS A 10 8.369 -7.087 -3.304 1.00 0.00 C ATOM 114 O HIS A 10 9.084 -6.720 -2.373 1.00 0.00 O ATOM 115 CB HIS A 10 7.821 -4.677 -3.685 1.00 0.00 C ATOM 116 CG HIS A 10 8.013 -3.589 -4.696 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.224 -2.965 -4.908 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.140 -3.016 -5.556 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.087 -2.054 -5.855 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.832 -2.065 -6.265 1.00 0.00 N ATOM 0 H HIS A 10 5.709 -6.049 -4.066 1.00 0.00 H new ATOM 0 HA HIS A 10 8.407 -6.091 -5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.888 -4.504 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.624 -4.625 -2.950 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.094 -3.261 -5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.869 -1.410 -6.230 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.440 -1.465 -6.991 1.00 0.00 H new ATOM 129 N GLY A 11 8.052 -8.362 -3.513 1.00 0.00 N ATOM 130 CA GLY A 11 8.547 -9.404 -2.630 1.00 0.00 C ATOM 131 C GLY A 11 8.643 -8.944 -1.189 1.00 0.00 C ATOM 132 O GLY A 11 7.629 -8.796 -0.508 1.00 0.00 O ATOM 0 H GLY A 11 7.462 -8.692 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.887 -10.270 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.530 -9.729 -2.971 1.00 0.00 H new ATOM 136 N HIS A 12 9.868 -8.720 -0.722 1.00 0.00 N ATOM 137 CA HIS A 12 10.094 -8.275 0.648 1.00 0.00 C ATOM 138 C HIS A 12 10.440 -6.791 0.688 1.00 0.00 C ATOM 139 O HIS A 12 11.212 -6.301 -0.135 1.00 0.00 O ATOM 140 CB HIS A 12 11.217 -9.090 1.292 1.00 0.00 C ATOM 141 CG HIS A 12 11.216 -9.032 2.789 1.00 0.00 C ATOM 142 ND1 HIS A 12 10.060 -9.027 3.541 1.00 0.00 N ATOM 143 CD2 HIS A 12 12.239 -8.980 3.673 1.00 0.00 C ATOM 144 CE1 HIS A 12 10.373 -8.970 4.824 1.00 0.00 C ATOM 145 NE2 HIS A 12 11.689 -8.942 4.931 1.00 0.00 N ATOM 0 H HIS A 12 10.718 -8.839 -1.272 1.00 0.00 H new ATOM 0 HA HIS A 12 9.173 -8.430 1.210 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.127 -10.130 0.977 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.176 -8.727 0.923 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.292 -8.970 3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.672 -8.950 5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.212 -8.899 5.806 1.00 0.00 H new ATOM 154 N MET A 13 9.862 -6.079 1.651 1.00 0.00 N ATOM 155 CA MET A 13 10.109 -4.649 1.797 1.00 0.00 C ATOM 156 C MET A 13 9.430 -4.105 3.050 1.00 0.00 C ATOM 157 O MET A 13 8.293 -4.463 3.356 1.00 0.00 O ATOM 158 CB MET A 13 9.611 -3.894 0.563 1.00 0.00 C ATOM 159 CG MET A 13 9.642 -2.383 0.723 1.00 0.00 C ATOM 160 SD MET A 13 8.707 -1.530 -0.562 1.00 0.00 S ATOM 161 CE MET A 13 9.599 -2.045 -2.027 1.00 0.00 C ATOM 0 H MET A 13 9.220 -6.469 2.341 1.00 0.00 H new ATOM 0 HA MET A 13 11.184 -4.500 1.895 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.222 -4.173 -0.295 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.590 -4.207 0.343 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.237 -2.116 1.699 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.677 -2.040 0.702 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.282 -1.441 -2.877 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.669 -1.913 -1.867 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.389 -3.095 -2.230 1.00 0.00 H new ATOM 171 N SER A 14 10.136 -3.240 3.772 1.00 0.00 N ATOM 172 CA SER A 14 9.602 -2.650 4.994 1.00 0.00 C ATOM 173 C SER A 14 8.990 -1.281 4.714 1.00 0.00 C ATOM 174 O SER A 14 9.420 -0.569 3.808 1.00 0.00 O ATOM 175 CB SER A 14 10.703 -2.523 6.048 1.00 0.00 C ATOM 176 OG SER A 14 10.449 -1.438 6.924 1.00 0.00 O ATOM 0 H SER A 14 11.078 -2.933 3.532 1.00 0.00 H new ATOM 0 HA SER A 14 8.820 -3.308 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.771 -3.448 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.666 -2.380 5.557 1.00 0.00 H new ATOM 0 HG SER A 14 11.203 -0.812 6.897 1.00 0.00 H new ATOM 182 N GLY A 15 7.981 -0.919 5.500 1.00 0.00 N ATOM 183 CA GLY A 15 7.324 0.363 5.322 1.00 0.00 C ATOM 184 C GLY A 15 8.306 1.518 5.286 1.00 0.00 C ATOM 185 O GLY A 15 7.962 2.622 4.868 1.00 0.00 O ATOM 0 H GLY A 15 7.607 -1.491 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.751 0.348 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.613 0.519 6.134 1.00 0.00 H new ATOM 189 N GLY A 16 9.534 1.262 5.727 1.00 0.00 N ATOM 190 CA GLY A 16 10.550 2.298 5.737 1.00 0.00 C ATOM 191 C GLY A 16 11.154 2.530 4.367 1.00 0.00 C ATOM 192 O GLY A 16 11.454 3.665 3.998 1.00 0.00 O ATOM 0 H GLY A 16 9.843 0.355 6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.113 3.228 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.339 2.022 6.437 1.00 0.00 H new ATOM 196 N GLN A 17 11.337 1.451 3.612 1.00 0.00 N ATOM 197 CA GLN A 17 11.914 1.543 2.275 1.00 0.00 C ATOM 198 C GLN A 17 10.880 2.042 1.271 1.00 0.00 C ATOM 199 O GLN A 17 11.191 2.850 0.396 1.00 0.00 O ATOM 200 CB GLN A 17 12.455 0.182 1.836 1.00 0.00 C ATOM 201 CG GLN A 17 13.416 0.260 0.661 1.00 0.00 C ATOM 202 CD GLN A 17 14.315 -0.956 0.561 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.573 -1.636 1.555 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.800 -1.238 -0.643 1.00 0.00 N ATOM 0 H GLN A 17 11.094 0.504 3.903 1.00 0.00 H new ATOM 0 HA GLN A 17 12.736 2.258 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.962 -0.287 2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.618 -0.463 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.847 0.363 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.031 1.155 0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.561 -0.648 -1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.411 -2.044 -0.770 1.00 0.00 H new ATOM 213 N ALA A 18 9.651 1.555 1.402 1.00 0.00 N ATOM 214 CA ALA A 18 8.572 1.953 0.507 1.00 0.00 C ATOM 215 C ALA A 18 8.430 3.470 0.459 1.00 0.00 C ATOM 216 O ALA A 18 8.596 4.084 -0.594 1.00 0.00 O ATOM 217 CB ALA A 18 7.262 1.311 0.941 1.00 0.00 C ATOM 0 H ALA A 18 9.378 0.884 2.120 1.00 0.00 H new ATOM 0 HA ALA A 18 8.819 1.606 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.465 1.617 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.363 0.226 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.019 1.630 1.955 1.00 0.00 H new ATOM 223 N GLU A 19 8.120 4.068 1.605 1.00 0.00 N ATOM 224 CA GLU A 19 7.954 5.514 1.692 1.00 0.00 C ATOM 225 C GLU A 19 9.036 6.235 0.894 1.00 0.00 C ATOM 226 O GLU A 19 8.758 7.194 0.174 1.00 0.00 O ATOM 227 CB GLU A 19 7.995 5.967 3.153 1.00 0.00 C ATOM 228 CG GLU A 19 6.636 5.961 3.831 1.00 0.00 C ATOM 229 CD GLU A 19 6.520 7.015 4.914 1.00 0.00 C ATOM 230 OE1 GLU A 19 7.551 7.333 5.545 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.399 7.521 5.133 1.00 0.00 O ATOM 0 H GLU A 19 7.979 3.573 2.486 1.00 0.00 H new ATOM 0 HA GLU A 19 6.983 5.769 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.671 5.316 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.411 6.973 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.860 6.127 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.455 4.978 4.265 1.00 0.00 H new ATOM 238 N THR A 20 10.273 5.764 1.025 1.00 0.00 N ATOM 239 CA THR A 20 11.397 6.364 0.318 1.00 0.00 C ATOM 240 C THR A 20 11.318 6.083 -1.179 1.00 0.00 C ATOM 241 O THR A 20 11.590 6.960 -2.000 1.00 0.00 O ATOM 242 CB THR A 20 12.743 5.841 0.856 1.00 0.00 C ATOM 243 OG1 THR A 20 12.832 6.079 2.266 1.00 0.00 O ATOM 244 CG2 THR A 20 13.908 6.515 0.149 1.00 0.00 C ATOM 0 H THR A 20 10.521 4.969 1.614 1.00 0.00 H new ATOM 0 HA THR A 20 11.339 7.439 0.487 1.00 0.00 H new ATOM 0 HB THR A 20 12.794 4.769 0.664 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.395 5.347 2.750 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.847 6.129 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.854 6.308 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.860 7.591 0.313 1.00 0.00 H new ATOM 252 N LEU A 21 10.945 4.857 -1.527 1.00 0.00 N ATOM 253 CA LEU A 21 10.829 4.461 -2.926 1.00 0.00 C ATOM 254 C LEU A 21 9.673 5.189 -3.605 1.00 0.00 C ATOM 255 O LEU A 21 9.881 6.003 -4.505 1.00 0.00 O ATOM 256 CB LEU A 21 10.628 2.948 -3.034 1.00 0.00 C ATOM 257 CG LEU A 21 11.897 2.097 -2.976 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.555 0.621 -3.115 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.876 2.524 -4.060 1.00 0.00 C ATOM 0 H LEU A 21 10.718 4.120 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 21 11.754 4.735 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.965 2.631 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.115 2.736 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 21 12.371 2.250 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.470 0.030 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.892 0.323 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.058 0.451 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.773 1.907 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.412 2.401 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.145 3.570 -3.916 1.00 0.00 H new ATOM 271 N LEU A 22 8.455 4.892 -3.165 1.00 0.00 N ATOM 272 CA LEU A 22 7.265 5.520 -3.728 1.00 0.00 C ATOM 273 C LEU A 22 7.485 7.015 -3.938 1.00 0.00 C ATOM 274 O LEU A 22 7.201 7.548 -5.010 1.00 0.00 O ATOM 275 CB LEU A 22 6.062 5.295 -2.809 1.00 0.00 C ATOM 276 CG LEU A 22 5.483 3.879 -2.796 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.629 3.664 -1.557 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.672 3.623 -4.057 1.00 0.00 C ATOM 0 H LEU A 22 8.266 4.221 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 22 7.066 5.061 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.353 5.556 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.272 5.986 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 22 6.309 3.169 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.225 2.652 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.240 3.805 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.809 4.382 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.268 2.611 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.853 4.340 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.314 3.735 -4.931 1.00 0.00 H new ATOM 290 N GLN A 23 7.993 7.683 -2.908 1.00 0.00 N ATOM 291 CA GLN A 23 8.254 9.116 -2.982 1.00 0.00 C ATOM 292 C GLN A 23 9.373 9.416 -3.974 1.00 0.00 C ATOM 293 O GLN A 23 9.433 10.504 -4.546 1.00 0.00 O ATOM 294 CB GLN A 23 8.622 9.661 -1.601 1.00 0.00 C ATOM 295 CG GLN A 23 7.501 9.541 -0.581 1.00 0.00 C ATOM 296 CD GLN A 23 7.974 9.785 0.838 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.049 9.333 1.233 1.00 0.00 O ATOM 298 NE2 GLN A 23 7.172 10.505 1.615 1.00 0.00 N ATOM 0 H GLN A 23 8.232 7.256 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 23 7.345 9.607 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.498 9.128 -1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.904 10.709 -1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.715 10.255 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.060 8.546 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.290 10.860 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.439 10.702 2.580 1.00 0.00 H new ATOM 307 N ALA A 24 10.257 8.444 -4.174 1.00 0.00 N ATOM 308 CA ALA A 24 11.372 8.604 -5.098 1.00 0.00 C ATOM 309 C ALA A 24 10.877 8.912 -6.508 1.00 0.00 C ATOM 310 O ALA A 24 11.336 9.859 -7.146 1.00 0.00 O ATOM 311 CB ALA A 24 12.238 7.352 -5.102 1.00 0.00 C ATOM 0 H ALA A 24 10.222 7.537 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 24 11.974 9.448 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.067 7.485 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.629 7.177 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.639 6.496 -5.412 1.00 0.00 H new ATOM 317 N LYS A 25 9.938 8.104 -6.989 1.00 0.00 N ATOM 318 CA LYS A 25 9.380 8.290 -8.324 1.00 0.00 C ATOM 319 C LYS A 25 8.591 9.592 -8.407 1.00 0.00 C ATOM 320 O LYS A 25 8.705 10.336 -9.380 1.00 0.00 O ATOM 321 CB LYS A 25 8.477 7.109 -8.689 1.00 0.00 C ATOM 322 CG LYS A 25 8.372 6.864 -10.185 1.00 0.00 C ATOM 323 CD LYS A 25 8.138 5.394 -10.494 1.00 0.00 C ATOM 324 CE LYS A 25 6.695 4.993 -10.230 1.00 0.00 C ATOM 325 NZ LYS A 25 6.264 5.346 -8.849 1.00 0.00 N ATOM 0 H LYS A 25 9.547 7.314 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 25 10.206 8.341 -9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.858 6.208 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.479 7.287 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.555 7.458 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.287 7.199 -10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.387 5.196 -11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.804 4.782 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.043 5.487 -10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.583 3.919 -10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.366 4.868 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.990 5.041 -8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.134 6.375 -8.778 1.00 0.00 H new ATOM 339 N GLY A 26 7.792 9.862 -7.379 1.00 0.00 N ATOM 340 CA GLY A 26 6.997 11.076 -7.356 1.00 0.00 C ATOM 341 C GLY A 26 5.718 10.947 -8.160 1.00 0.00 C ATOM 342 O GLY A 26 5.273 11.908 -8.787 1.00 0.00 O ATOM 0 H GLY A 26 7.681 9.262 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.750 11.325 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.589 11.902 -7.751 1.00 0.00 H new ATOM 346 N GLU A 27 5.128 9.757 -8.143 1.00 0.00 N ATOM 347 CA GLU A 27 3.894 9.505 -8.878 1.00 0.00 C ATOM 348 C GLU A 27 2.739 9.221 -7.922 1.00 0.00 C ATOM 349 O GLU A 27 2.766 8.270 -7.141 1.00 0.00 O ATOM 350 CB GLU A 27 4.077 8.329 -9.838 1.00 0.00 C ATOM 351 CG GLU A 27 5.058 8.609 -10.965 1.00 0.00 C ATOM 352 CD GLU A 27 4.452 9.454 -12.069 1.00 0.00 C ATOM 353 OE1 GLU A 27 3.964 10.563 -11.767 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.467 9.006 -13.235 1.00 0.00 O ATOM 0 H GLU A 27 5.484 8.952 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 27 3.655 10.400 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.422 7.462 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.110 8.067 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.933 9.118 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.404 7.664 -11.384 1.00 0.00 H new ATOM 361 N PRO A 28 1.699 10.066 -7.983 1.00 0.00 N ATOM 362 CA PRO A 28 0.515 9.926 -7.130 1.00 0.00 C ATOM 363 C PRO A 28 -0.326 8.710 -7.501 1.00 0.00 C ATOM 364 O PRO A 28 -0.354 8.292 -8.658 1.00 0.00 O ATOM 365 CB PRO A 28 -0.266 11.216 -7.394 1.00 0.00 C ATOM 366 CG PRO A 28 0.163 11.647 -8.754 1.00 0.00 C ATOM 367 CD PRO A 28 1.599 11.222 -8.890 1.00 0.00 C ATOM 0 HA PRO A 28 0.782 9.779 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.341 11.043 -7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.038 11.977 -6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.455 11.184 -9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.063 12.726 -8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.842 10.949 -9.917 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.283 12.020 -8.601 1.00 0.00 H new ATOM 375 N TRP A 29 -1.010 8.146 -6.511 1.00 0.00 N ATOM 376 CA TRP A 29 -1.853 6.976 -6.734 1.00 0.00 C ATOM 377 C TRP A 29 -1.006 5.751 -7.060 1.00 0.00 C ATOM 378 O TRP A 29 -1.435 4.869 -7.805 1.00 0.00 O ATOM 379 CB TRP A 29 -2.843 7.244 -7.868 1.00 0.00 C ATOM 380 CG TRP A 29 -3.597 8.530 -7.707 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.756 9.510 -8.644 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.294 8.973 -6.538 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.509 10.536 -8.128 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.853 10.230 -6.837 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.503 8.429 -5.267 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.604 10.951 -5.912 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.248 9.145 -4.350 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.792 10.395 -4.676 1.00 0.00 C ATOM 0 H TRP A 29 -0.997 8.480 -5.547 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.408 6.778 -5.817 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.303 7.264 -8.815 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.553 6.419 -7.923 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.349 9.482 -9.644 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.770 11.388 -8.625 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.089 7.466 -5.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.023 11.915 -6.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.414 8.735 -3.365 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.371 10.930 -3.937 1.00 0.00 H new ATOM 399 N THR A 30 0.196 5.700 -6.496 1.00 0.00 N ATOM 400 CA THR A 30 1.103 4.582 -6.728 1.00 0.00 C ATOM 401 C THR A 30 1.024 3.567 -5.595 1.00 0.00 C ATOM 402 O THR A 30 1.413 3.853 -4.463 1.00 0.00 O ATOM 403 CB THR A 30 2.559 5.061 -6.873 1.00 0.00 C ATOM 404 OG1 THR A 30 2.672 5.960 -7.982 1.00 0.00 O ATOM 405 CG2 THR A 30 3.499 3.881 -7.072 1.00 0.00 C ATOM 0 H THR A 30 0.565 6.420 -5.875 1.00 0.00 H new ATOM 0 HA THR A 30 0.790 4.109 -7.659 1.00 0.00 H new ATOM 0 HB THR A 30 2.840 5.580 -5.956 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.946 6.844 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.522 4.244 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.433 3.214 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.216 3.339 -7.974 1.00 0.00 H new ATOM 413 N PHE A 31 0.518 2.378 -5.906 1.00 0.00 N ATOM 414 CA PHE A 31 0.387 1.319 -4.912 1.00 0.00 C ATOM 415 C PHE A 31 1.449 0.243 -5.121 1.00 0.00 C ATOM 416 O PHE A 31 1.933 0.041 -6.236 1.00 0.00 O ATOM 417 CB PHE A 31 -1.008 0.694 -4.981 1.00 0.00 C ATOM 418 CG PHE A 31 -1.101 -0.464 -5.933 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.288 -0.251 -7.288 1.00 0.00 C ATOM 420 CD2 PHE A 31 -0.999 -1.767 -5.471 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.372 -1.314 -8.167 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.084 -2.834 -6.345 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.271 -2.607 -7.695 1.00 0.00 C ATOM 0 H PHE A 31 0.192 2.124 -6.838 1.00 0.00 H new ATOM 0 HA PHE A 31 0.531 1.761 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.297 0.359 -3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.725 1.458 -5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.369 0.759 -7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.852 -1.950 -4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.516 -1.133 -9.222 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.004 -3.845 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.338 -3.440 -8.380 1.00 0.00 H new ATOM 433 N LEU A 32 1.807 -0.445 -4.043 1.00 0.00 N ATOM 434 CA LEU A 32 2.812 -1.501 -4.106 1.00 0.00 C ATOM 435 C LEU A 32 2.590 -2.532 -3.004 1.00 0.00 C ATOM 436 O LEU A 32 2.410 -2.180 -1.839 1.00 0.00 O ATOM 437 CB LEU A 32 4.215 -0.903 -3.987 1.00 0.00 C ATOM 438 CG LEU A 32 4.774 -0.780 -2.568 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.466 -2.069 -2.154 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.733 0.397 -2.474 1.00 0.00 C ATOM 0 H LEU A 32 1.416 -0.291 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 32 2.717 -2.002 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.900 -1.515 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.205 0.089 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 32 3.944 -0.602 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.857 -1.963 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.751 -2.891 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.287 -2.278 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.121 0.470 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.560 0.249 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.206 1.317 -2.728 1.00 0.00 H new ATOM 452 N VAL A 33 2.606 -3.806 -3.381 1.00 0.00 N ATOM 453 CA VAL A 33 2.409 -4.888 -2.424 1.00 0.00 C ATOM 454 C VAL A 33 3.745 -5.428 -1.924 1.00 0.00 C ATOM 455 O VAL A 33 4.653 -5.693 -2.712 1.00 0.00 O ATOM 456 CB VAL A 33 1.599 -6.044 -3.042 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.469 -7.193 -2.054 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.230 -5.554 -3.489 1.00 0.00 C ATOM 0 H VAL A 33 2.753 -4.114 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 33 1.851 -4.472 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 33 2.132 -6.411 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.894 -8.000 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.461 -7.559 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.959 -6.845 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.329 -6.383 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.314 -5.160 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.350 -4.768 -4.234 1.00 0.00 H new ATOM 468 N ARG A 34 3.856 -5.590 -0.609 1.00 0.00 N ATOM 469 CA ARG A 34 5.081 -6.098 -0.004 1.00 0.00 C ATOM 470 C ARG A 34 4.766 -7.010 1.178 1.00 0.00 C ATOM 471 O ARG A 34 3.653 -6.996 1.704 1.00 0.00 O ATOM 472 CB ARG A 34 5.968 -4.938 0.456 1.00 0.00 C ATOM 473 CG ARG A 34 5.345 -4.096 1.557 1.00 0.00 C ATOM 474 CD ARG A 34 6.222 -2.903 1.908 1.00 0.00 C ATOM 475 NE ARG A 34 6.020 -2.462 3.286 1.00 0.00 N ATOM 476 CZ ARG A 34 5.032 -1.657 3.663 1.00 0.00 C ATOM 477 NH1 ARG A 34 4.161 -1.208 2.770 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.915 -1.301 4.935 1.00 0.00 N ATOM 0 H ARG A 34 3.113 -5.377 0.057 1.00 0.00 H new ATOM 0 HA ARG A 34 5.614 -6.678 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.919 -5.337 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.188 -4.298 -0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.363 -3.746 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.192 -4.710 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.269 -3.167 1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.003 -2.080 1.228 1.00 0.00 H new ATOM 0 HE ARG A 34 6.673 -2.790 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.248 -1.480 1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.404 -0.590 3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.583 -1.645 5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.157 -0.683 5.224 1.00 0.00 H new ATOM 492 N GLU A 35 5.751 -7.800 1.590 1.00 0.00 N ATOM 493 CA GLU A 35 5.577 -8.719 2.708 1.00 0.00 C ATOM 494 C GLU A 35 5.682 -7.982 4.040 1.00 0.00 C ATOM 495 O GLU A 35 6.573 -7.155 4.236 1.00 0.00 O ATOM 496 CB GLU A 35 6.622 -9.835 2.647 1.00 0.00 C ATOM 497 CG GLU A 35 6.189 -11.030 1.815 1.00 0.00 C ATOM 498 CD GLU A 35 7.252 -12.109 1.744 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.423 -11.772 1.473 1.00 0.00 O ATOM 500 OE2 GLU A 35 6.913 -13.291 1.962 1.00 0.00 O ATOM 0 H GLU A 35 6.679 -7.822 1.166 1.00 0.00 H new ATOM 0 HA GLU A 35 4.582 -9.158 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.547 -9.432 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.843 -10.170 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.277 -11.451 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.947 -10.697 0.806 1.00 0.00 H new ATOM 507 N SER A 36 4.765 -8.287 4.953 1.00 0.00 N ATOM 508 CA SER A 36 4.750 -7.650 6.264 1.00 0.00 C ATOM 509 C SER A 36 6.023 -7.975 7.040 1.00 0.00 C ATOM 510 O SER A 36 6.664 -9.000 6.804 1.00 0.00 O ATOM 511 CB SER A 36 3.525 -8.101 7.060 1.00 0.00 C ATOM 512 OG SER A 36 3.503 -7.505 8.346 1.00 0.00 O ATOM 0 H SER A 36 4.023 -8.972 4.808 1.00 0.00 H new ATOM 0 HA SER A 36 4.701 -6.571 6.116 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.617 -7.836 6.518 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.532 -9.186 7.159 1.00 0.00 H new ATOM 0 HG SER A 36 2.709 -7.808 8.834 1.00 0.00 H new ATOM 586 N ASP A 42 1.452 -12.164 6.933 1.00 0.00 N ATOM 587 CA ASP A 42 0.565 -11.148 6.379 1.00 0.00 C ATOM 588 C ASP A 42 1.315 -10.242 5.407 1.00 0.00 C ATOM 589 O ASP A 42 2.539 -10.318 5.292 1.00 0.00 O ATOM 590 CB ASP A 42 -0.053 -10.313 7.501 1.00 0.00 C ATOM 591 CG ASP A 42 -0.997 -11.119 8.371 1.00 0.00 C ATOM 592 OD1 ASP A 42 -1.737 -11.962 7.821 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.995 -10.908 9.602 1.00 0.00 O ATOM 0 HA ASP A 42 -0.231 -11.655 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.742 -9.898 8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.593 -9.471 7.068 1.00 0.00 H new ATOM 598 N PHE A 43 0.576 -9.386 4.711 1.00 0.00 N ATOM 599 CA PHE A 43 1.171 -8.467 3.749 1.00 0.00 C ATOM 600 C PHE A 43 0.713 -7.035 4.009 1.00 0.00 C ATOM 601 O PHE A 43 -0.266 -6.803 4.719 1.00 0.00 O ATOM 602 CB PHE A 43 0.804 -8.880 2.322 1.00 0.00 C ATOM 603 CG PHE A 43 1.118 -10.317 2.015 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.192 -11.313 2.272 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.342 -10.669 1.468 1.00 0.00 C ATOM 606 CE1 PHE A 43 0.477 -12.635 1.990 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.634 -11.990 1.183 1.00 0.00 C ATOM 608 CZ PHE A 43 1.700 -12.975 1.446 1.00 0.00 C ATOM 0 H PHE A 43 -0.438 -9.309 4.795 1.00 0.00 H new ATOM 0 HA PHE A 43 2.254 -8.510 3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.261 -8.707 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.338 -8.241 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.766 -11.053 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.075 -9.903 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.256 -13.402 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.590 -12.252 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.926 -14.008 1.227 1.00 0.00 H new ATOM 618 N VAL A 44 1.429 -6.076 3.429 1.00 0.00 N ATOM 619 CA VAL A 44 1.097 -4.666 3.597 1.00 0.00 C ATOM 620 C VAL A 44 0.836 -3.999 2.252 1.00 0.00 C ATOM 621 O VAL A 44 1.567 -4.220 1.285 1.00 0.00 O ATOM 622 CB VAL A 44 2.222 -3.908 4.325 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.838 -2.450 4.531 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.542 -4.576 5.654 1.00 0.00 C ATOM 0 H VAL A 44 2.242 -6.250 2.839 1.00 0.00 H new ATOM 0 HA VAL A 44 0.191 -4.624 4.201 1.00 0.00 H new ATOM 0 HB VAL A 44 3.117 -3.939 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.645 -1.931 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.664 -1.979 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.929 -2.394 5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.339 -4.027 6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.652 -4.578 6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.864 -5.602 5.477 1.00 0.00 H new ATOM 634 N LEU A 45 -0.208 -3.180 2.196 1.00 0.00 N ATOM 635 CA LEU A 45 -0.566 -2.478 0.968 1.00 0.00 C ATOM 636 C LEU A 45 -0.206 -0.999 1.062 1.00 0.00 C ATOM 637 O LEU A 45 -0.910 -0.219 1.703 1.00 0.00 O ATOM 638 CB LEU A 45 -2.061 -2.636 0.685 1.00 0.00 C ATOM 639 CG LEU A 45 -2.483 -2.509 -0.779 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.095 -1.146 -1.331 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.861 -3.621 -1.611 1.00 0.00 C ATOM 0 H LEU A 45 -0.822 -2.985 2.987 1.00 0.00 H new ATOM 0 HA LEU A 45 0.001 -2.918 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.379 -3.613 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.601 -1.887 1.265 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.567 -2.604 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.404 -1.075 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.588 -0.365 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.014 -1.020 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.172 -3.515 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.775 -3.558 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.190 -4.588 -1.230 1.00 0.00 H new ATOM 653 N SER A 46 0.893 -0.620 0.417 1.00 0.00 N ATOM 654 CA SER A 46 1.347 0.766 0.429 1.00 0.00 C ATOM 655 C SER A 46 0.819 1.520 -0.788 1.00 0.00 C ATOM 656 O SER A 46 0.782 0.986 -1.896 1.00 0.00 O ATOM 657 CB SER A 46 2.875 0.823 0.456 1.00 0.00 C ATOM 658 OG SER A 46 3.330 2.022 1.059 1.00 0.00 O ATOM 0 H SER A 46 1.485 -1.253 -0.120 1.00 0.00 H new ATOM 0 HA SER A 46 0.957 1.244 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.264 -0.034 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.263 0.753 -0.560 1.00 0.00 H new ATOM 0 HG SER A 46 3.162 1.987 2.024 1.00 0.00 H new ATOM 664 N VAL A 47 0.411 2.767 -0.572 1.00 0.00 N ATOM 665 CA VAL A 47 -0.114 3.596 -1.650 1.00 0.00 C ATOM 666 C VAL A 47 0.277 5.058 -1.457 1.00 0.00 C ATOM 667 O VAL A 47 0.120 5.616 -0.371 1.00 0.00 O ATOM 668 CB VAL A 47 -1.648 3.494 -1.740 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.133 3.943 -3.110 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.106 2.074 -1.442 1.00 0.00 C ATOM 0 H VAL A 47 0.434 3.225 0.339 1.00 0.00 H new ATOM 0 HA VAL A 47 0.322 3.225 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.084 4.156 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.219 3.864 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.837 4.978 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.691 3.309 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.193 2.020 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.663 1.389 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.791 1.794 -0.437 1.00 0.00 H new ATOM 680 N LEU A 48 0.785 5.673 -2.519 1.00 0.00 N ATOM 681 CA LEU A 48 1.199 7.071 -2.469 1.00 0.00 C ATOM 682 C LEU A 48 0.026 7.997 -2.775 1.00 0.00 C ATOM 683 O LEU A 48 -0.591 7.904 -3.836 1.00 0.00 O ATOM 684 CB LEU A 48 2.335 7.324 -3.461 1.00 0.00 C ATOM 685 CG LEU A 48 3.219 8.537 -3.175 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.784 8.466 -1.765 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.341 8.633 -4.198 1.00 0.00 C ATOM 0 H LEU A 48 0.920 5.226 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 48 1.553 7.283 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.968 6.437 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.903 7.441 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 48 2.606 9.435 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.411 9.338 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.965 8.448 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.381 7.561 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.960 9.503 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.952 7.732 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.915 8.733 -5.196 1.00 0.00 H new ATOM 699 N SER A 49 -0.276 8.891 -1.839 1.00 0.00 N ATOM 700 CA SER A 49 -1.376 9.833 -2.007 1.00 0.00 C ATOM 701 C SER A 49 -0.917 11.072 -2.771 1.00 0.00 C ATOM 702 O SER A 49 0.265 11.413 -2.771 1.00 0.00 O ATOM 703 CB SER A 49 -1.939 10.241 -0.645 1.00 0.00 C ATOM 704 OG SER A 49 -0.898 10.515 0.277 1.00 0.00 O ATOM 0 H SER A 49 0.226 8.983 -0.956 1.00 0.00 H new ATOM 0 HA SER A 49 -2.159 9.340 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.570 11.123 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.572 9.444 -0.256 1.00 0.00 H new ATOM 0 HG SER A 49 -0.328 9.724 0.371 1.00 0.00 H new ATOM 710 N ASP A 50 -1.863 11.740 -3.423 1.00 0.00 N ATOM 711 CA ASP A 50 -1.558 12.941 -4.192 1.00 0.00 C ATOM 712 C ASP A 50 -1.430 14.154 -3.276 1.00 0.00 C ATOM 713 O ASP A 50 -1.269 15.281 -3.743 1.00 0.00 O ATOM 714 CB ASP A 50 -2.644 13.190 -5.240 1.00 0.00 C ATOM 715 CG ASP A 50 -3.779 14.042 -4.707 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.464 13.595 -3.761 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.983 15.156 -5.233 1.00 0.00 O ATOM 0 H ASP A 50 -2.847 11.470 -3.434 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.605 12.787 -4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.202 13.680 -6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.041 12.234 -5.582 1.00 0.00 H new ATOM 722 N GLN A 51 -1.504 13.914 -1.970 1.00 0.00 N ATOM 723 CA GLN A 51 -1.398 14.987 -0.990 1.00 0.00 C ATOM 724 C GLN A 51 -0.018 14.998 -0.340 1.00 0.00 C ATOM 725 O GLN A 51 0.413 14.021 0.273 1.00 0.00 O ATOM 726 CB GLN A 51 -2.479 14.836 0.082 1.00 0.00 C ATOM 727 CG GLN A 51 -3.869 15.222 -0.397 1.00 0.00 C ATOM 728 CD GLN A 51 -3.998 16.705 -0.682 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.244 17.504 0.223 1.00 0.00 O ATOM 730 NE2 GLN A 51 -3.831 17.083 -1.944 1.00 0.00 N ATOM 0 H GLN A 51 -1.637 12.986 -1.567 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.541 15.934 -1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.496 13.802 0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.216 15.453 0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.107 14.660 -1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.602 14.936 0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.629 16.388 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.905 18.069 -2.195 1.00 0.00 H new ATOM 739 N PRO A 52 0.693 16.126 -0.476 1.00 0.00 N ATOM 740 CA PRO A 52 2.035 16.290 0.090 1.00 0.00 C ATOM 741 C PRO A 52 2.014 16.371 1.613 1.00 0.00 C ATOM 742 O PRO A 52 1.018 16.776 2.211 1.00 0.00 O ATOM 743 CB PRO A 52 2.514 17.615 -0.508 1.00 0.00 C ATOM 744 CG PRO A 52 1.264 18.366 -0.816 1.00 0.00 C ATOM 745 CD PRO A 52 0.242 17.331 -1.194 1.00 0.00 C ATOM 0 HA PRO A 52 2.681 15.444 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.142 18.163 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.109 17.452 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.933 18.944 0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.424 19.072 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.762 17.628 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.214 17.169 -2.272 1.00 0.00 H new ATOM 753 N LYS A 53 3.122 15.981 2.236 1.00 0.00 N ATOM 754 CA LYS A 53 3.233 16.011 3.690 1.00 0.00 C ATOM 755 C LYS A 53 3.543 17.421 4.183 1.00 0.00 C ATOM 756 O LYS A 53 3.359 17.730 5.360 1.00 0.00 O ATOM 757 CB LYS A 53 4.323 15.044 4.157 1.00 0.00 C ATOM 758 CG LYS A 53 5.732 15.522 3.850 1.00 0.00 C ATOM 759 CD LYS A 53 6.776 14.535 4.344 1.00 0.00 C ATOM 760 CE LYS A 53 6.936 14.600 5.855 1.00 0.00 C ATOM 761 NZ LYS A 53 7.953 15.609 6.262 1.00 0.00 N ATOM 0 H LYS A 53 3.955 15.641 1.756 1.00 0.00 H new ATOM 0 HA LYS A 53 2.276 15.701 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.226 14.892 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.165 14.075 3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.843 15.663 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.898 16.493 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.490 13.525 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.733 14.747 3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.977 14.846 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.226 13.619 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.033 15.623 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.874 15.361 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.664 16.549 5.924 1.00 0.00 H new ATOM 813 N SER A 58 7.390 19.105 -1.055 1.00 0.00 N ATOM 814 CA SER A 58 7.563 17.983 -0.138 1.00 0.00 C ATOM 815 C SER A 58 7.084 16.682 -0.776 1.00 0.00 C ATOM 816 O SER A 58 6.301 16.678 -1.726 1.00 0.00 O ATOM 817 CB SER A 58 6.799 18.239 1.163 1.00 0.00 C ATOM 818 OG SER A 58 5.619 18.984 0.924 1.00 0.00 O ATOM 0 HA SER A 58 8.626 17.888 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.544 17.288 1.631 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.437 18.778 1.863 1.00 0.00 H new ATOM 0 HG SER A 58 5.665 19.393 0.035 1.00 0.00 H new ATOM 824 N PRO A 59 7.566 15.551 -0.242 1.00 0.00 N ATOM 825 CA PRO A 59 7.202 14.221 -0.741 1.00 0.00 C ATOM 826 C PRO A 59 5.752 13.864 -0.434 1.00 0.00 C ATOM 827 O PRO A 59 5.210 14.258 0.600 1.00 0.00 O ATOM 828 CB PRO A 59 8.154 13.287 0.010 1.00 0.00 C ATOM 829 CG PRO A 59 8.500 14.023 1.258 1.00 0.00 C ATOM 830 CD PRO A 59 8.504 15.481 0.891 1.00 0.00 C ATOM 0 HA PRO A 59 7.287 14.155 -1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.678 12.332 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.044 13.070 -0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.773 13.821 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.474 13.713 1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.177 16.105 1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.500 15.822 0.609 1.00 0.00 H new ATOM 838 N LEU A 60 5.127 13.117 -1.338 1.00 0.00 N ATOM 839 CA LEU A 60 3.739 12.706 -1.162 1.00 0.00 C ATOM 840 C LEU A 60 3.596 11.761 0.027 1.00 0.00 C ATOM 841 O LEU A 60 4.445 10.898 0.252 1.00 0.00 O ATOM 842 CB LEU A 60 3.224 12.025 -2.432 1.00 0.00 C ATOM 843 CG LEU A 60 2.625 12.950 -3.493 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.316 14.304 -3.472 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.728 12.318 -4.872 1.00 0.00 C ATOM 0 H LEU A 60 5.560 12.784 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 60 3.144 13.598 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.048 11.472 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.468 11.294 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 60 1.570 13.100 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.877 14.949 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.189 14.762 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.379 14.173 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.297 12.990 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.776 12.137 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.185 11.373 -4.880 1.00 0.00 H new ATOM 857 N ARG A 61 2.517 11.929 0.784 1.00 0.00 N ATOM 858 CA ARG A 61 2.262 11.092 1.949 1.00 0.00 C ATOM 859 C ARG A 61 1.970 9.653 1.531 1.00 0.00 C ATOM 860 O ARG A 61 1.341 9.411 0.500 1.00 0.00 O ATOM 861 CB ARG A 61 1.090 11.648 2.757 1.00 0.00 C ATOM 862 CG ARG A 61 0.883 10.951 4.092 1.00 0.00 C ATOM 863 CD ARG A 61 1.917 11.392 5.116 1.00 0.00 C ATOM 864 NE ARG A 61 1.986 10.478 6.254 1.00 0.00 N ATOM 865 CZ ARG A 61 2.809 10.645 7.282 1.00 0.00 C ATOM 866 NH1 ARG A 61 3.628 11.687 7.317 1.00 0.00 N ATOM 867 NH2 ARG A 61 2.814 9.770 8.279 1.00 0.00 N ATOM 0 H ARG A 61 1.805 12.638 0.611 1.00 0.00 H new ATOM 0 HA ARG A 61 3.157 11.097 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.254 12.711 2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.178 11.560 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.117 11.169 4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.944 9.872 3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.896 11.452 4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.672 12.394 5.470 1.00 0.00 H new ATOM 0 HE ARG A 61 1.368 9.667 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.627 12.363 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.259 11.813 8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.185 8.967 8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.447 9.900 9.068 1.00 0.00 H new ATOM 881 N VAL A 62 2.429 8.703 2.338 1.00 0.00 N ATOM 882 CA VAL A 62 2.216 7.289 2.054 1.00 0.00 C ATOM 883 C VAL A 62 1.234 6.671 3.042 1.00 0.00 C ATOM 884 O VAL A 62 1.125 7.114 4.186 1.00 0.00 O ATOM 885 CB VAL A 62 3.538 6.501 2.100 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.311 5.051 1.702 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.578 7.154 1.202 1.00 0.00 C ATOM 0 H VAL A 62 2.951 8.887 3.195 1.00 0.00 H new ATOM 0 HA VAL A 62 1.801 7.228 1.048 1.00 0.00 H new ATOM 0 HB VAL A 62 3.914 6.516 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.257 4.511 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.602 4.591 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.911 5.010 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.506 6.584 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.212 7.172 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.762 8.174 1.540 1.00 0.00 H new ATOM 897 N THR A 63 0.519 5.643 2.595 1.00 0.00 N ATOM 898 CA THR A 63 -0.455 4.964 3.440 1.00 0.00 C ATOM 899 C THR A 63 -0.195 3.462 3.480 1.00 0.00 C ATOM 900 O THR A 63 -0.081 2.813 2.440 1.00 0.00 O ATOM 901 CB THR A 63 -1.895 5.211 2.948 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.206 6.607 3.028 1.00 0.00 O ATOM 903 CG2 THR A 63 -2.893 4.415 3.775 1.00 0.00 C ATOM 0 H THR A 63 0.597 5.263 1.652 1.00 0.00 H new ATOM 0 HA THR A 63 -0.346 5.376 4.443 1.00 0.00 H new ATOM 0 HB THR A 63 -1.964 4.883 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.122 6.757 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.902 4.605 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.670 3.351 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.823 4.717 4.820 1.00 0.00 H new ATOM 911 N HIS A 64 -0.104 2.914 4.688 1.00 0.00 N ATOM 912 CA HIS A 64 0.141 1.488 4.864 1.00 0.00 C ATOM 913 C HIS A 64 -1.116 0.777 5.356 1.00 0.00 C ATOM 914 O HIS A 64 -1.583 1.022 6.468 1.00 0.00 O ATOM 915 CB HIS A 64 1.287 1.263 5.851 1.00 0.00 C ATOM 916 CG HIS A 64 2.531 2.023 5.506 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.252 1.804 4.351 1.00 0.00 N ATOM 918 CD2 HIS A 64 3.182 3.006 6.173 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.292 2.617 4.322 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.272 3.358 5.416 1.00 0.00 N ATOM 0 H HIS A 64 -0.196 3.437 5.559 1.00 0.00 H new ATOM 0 HA HIS A 64 0.418 1.071 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.959 1.553 6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.520 0.199 5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.897 3.433 7.123 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.033 2.668 3.538 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.956 4.075 5.659 1.00 0.00 H new ATOM 929 N ILE A 65 -1.658 -0.103 4.520 1.00 0.00 N ATOM 930 CA ILE A 65 -2.861 -0.848 4.871 1.00 0.00 C ATOM 931 C ILE A 65 -2.543 -2.319 5.117 1.00 0.00 C ATOM 932 O ILE A 65 -2.221 -3.060 4.188 1.00 0.00 O ATOM 933 CB ILE A 65 -3.931 -0.743 3.769 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.375 0.711 3.596 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.121 -1.630 4.099 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.969 1.004 2.237 1.00 0.00 C ATOM 0 H ILE A 65 -1.283 -0.317 3.596 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.251 -0.404 5.787 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.498 -1.085 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.110 0.952 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.519 1.366 3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.868 -1.544 3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.792 -2.666 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.557 -1.316 5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.261 2.053 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.229 0.795 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.845 0.375 2.080 1.00 0.00 H new ATOM 948 N LYS A 66 -2.637 -2.737 6.375 1.00 0.00 N ATOM 949 CA LYS A 66 -2.362 -4.121 6.744 1.00 0.00 C ATOM 950 C LYS A 66 -3.322 -5.073 6.036 1.00 0.00 C ATOM 951 O LYS A 66 -4.532 -5.028 6.256 1.00 0.00 O ATOM 952 CB LYS A 66 -2.478 -4.298 8.260 1.00 0.00 C ATOM 953 CG LYS A 66 -1.259 -3.809 9.024 1.00 0.00 C ATOM 954 CD LYS A 66 -1.067 -4.579 10.319 1.00 0.00 C ATOM 955 CE LYS A 66 -1.827 -3.935 11.469 1.00 0.00 C ATOM 956 NZ LYS A 66 -1.941 -4.849 12.639 1.00 0.00 N ATOM 0 H LYS A 66 -2.902 -2.137 7.156 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.345 -4.359 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.358 -3.761 8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.637 -5.353 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.371 -3.916 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.368 -2.747 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.407 -5.606 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.006 -4.624 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.320 -3.019 11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.824 -3.651 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.465 -4.374 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.447 -5.712 12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.990 -5.100 12.977 1.00 0.00 H new ATOM 970 N VAL A 67 -2.772 -5.935 5.186 1.00 0.00 N ATOM 971 CA VAL A 67 -3.578 -6.900 4.448 1.00 0.00 C ATOM 972 C VAL A 67 -3.512 -8.279 5.093 1.00 0.00 C ATOM 973 O VAL A 67 -2.437 -8.863 5.226 1.00 0.00 O ATOM 974 CB VAL A 67 -3.120 -7.009 2.981 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.998 -7.990 2.219 1.00 0.00 C ATOM 976 CG2 VAL A 67 -3.133 -5.640 2.317 1.00 0.00 C ATOM 0 H VAL A 67 -1.772 -5.984 4.992 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.606 -6.539 4.474 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.097 -7.386 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.660 -8.054 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.932 -8.974 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.032 -7.646 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.807 -5.735 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.144 -5.232 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.458 -4.971 2.850 1.00 0.00 H new ATOM 986 N MET A 68 -4.670 -8.795 5.493 1.00 0.00 N ATOM 987 CA MET A 68 -4.744 -10.108 6.124 1.00 0.00 C ATOM 988 C MET A 68 -4.955 -11.202 5.081 1.00 0.00 C ATOM 989 O MET A 68 -5.795 -11.068 4.191 1.00 0.00 O ATOM 990 CB MET A 68 -5.877 -10.141 7.151 1.00 0.00 C ATOM 991 CG MET A 68 -5.619 -9.270 8.369 1.00 0.00 C ATOM 992 SD MET A 68 -7.086 -9.060 9.396 1.00 0.00 S ATOM 993 CE MET A 68 -7.851 -7.644 8.611 1.00 0.00 C ATOM 0 H MET A 68 -5.569 -8.324 5.391 1.00 0.00 H new ATOM 0 HA MET A 68 -3.798 -10.293 6.632 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.800 -9.816 6.671 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.031 -11.170 7.476 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.823 -9.714 8.966 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.265 -8.292 8.043 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.791 -7.414 9.113 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.183 -6.785 8.679 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.045 -7.870 7.563 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.188 -12.279 5.197 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.291 -13.395 4.263 1.00 0.00 C ATOM 1005 C CYS A 69 -4.616 -14.691 4.999 1.00 0.00 C ATOM 1006 O CYS A 69 -3.829 -15.167 5.815 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.987 -13.553 3.479 1.00 0.00 C ATOM 1008 SG CYS A 69 -3.020 -14.880 2.251 1.00 0.00 S ATOM 0 H CYS A 69 -3.488 -12.404 5.928 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.101 -13.180 3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.762 -12.613 2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.174 -13.742 4.181 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.980 -14.367 1.057 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.740 -16.467 0.525 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.549 -15.272 0.311 1.00 0.00 C ATOM 1045 C ARG A 73 -6.951 -14.073 1.042 1.00 0.00 C ATOM 1046 O ARG A 73 -6.038 -14.221 1.855 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.982 -15.510 0.786 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.074 -16.042 2.207 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.348 -16.843 2.422 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.264 -17.697 3.604 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.043 -18.755 3.803 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.958 -19.087 2.902 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -10.907 -19.483 4.905 1.00 0.00 N ATOM 0 HA ARG A 73 -7.559 -15.056 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.537 -14.574 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.467 -16.216 0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.208 -16.670 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.043 -15.210 2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.192 -16.161 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.542 -17.458 1.543 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.570 -17.469 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.065 -18.530 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.555 -19.900 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.204 -19.230 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.505 -20.295 5.057 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.471 -12.888 0.745 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.987 -11.663 1.372 1.00 0.00 C ATOM 1069 C TYR A 74 -8.151 -10.775 1.802 1.00 0.00 C ATOM 1070 O TYR A 74 -9.190 -10.729 1.142 1.00 0.00 O ATOM 1071 CB TYR A 74 -6.076 -10.899 0.409 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.829 -11.662 0.022 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.713 -11.674 0.849 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.768 -12.371 -1.172 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.571 -12.369 0.499 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.630 -13.069 -1.529 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.535 -13.065 -0.691 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.401 -13.759 -1.043 1.00 0.00 O ATOM 0 H TYR A 74 -8.227 -12.749 0.075 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.417 -11.939 2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.637 -10.655 -0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.786 -9.954 0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.738 -11.131 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.624 -12.376 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.712 -12.367 1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.598 -13.615 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.540 -14.195 -1.909 1.00 0.00 H new ATOM 1088 N THR A 75 -7.968 -10.068 2.913 1.00 0.00 N ATOM 1089 CA THR A 75 -9.000 -9.180 3.432 1.00 0.00 C ATOM 1090 C THR A 75 -8.391 -8.053 4.259 1.00 0.00 C ATOM 1091 O THR A 75 -7.248 -8.143 4.703 1.00 0.00 O ATOM 1092 CB THR A 75 -10.015 -9.948 4.302 1.00 0.00 C ATOM 1093 OG1 THR A 75 -11.180 -9.144 4.519 1.00 0.00 O ATOM 1094 CG2 THR A 75 -9.401 -10.333 5.639 1.00 0.00 C ATOM 0 H THR A 75 -7.114 -10.094 3.470 1.00 0.00 H new ATOM 0 HA THR A 75 -9.516 -8.757 2.570 1.00 0.00 H new ATOM 0 HB THR A 75 -10.296 -10.860 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.385 -9.117 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.136 -10.874 6.235 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.532 -10.969 5.471 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.094 -9.433 6.171 1.00 0.00 H new ATOM 1102 N VAL A 76 -9.164 -6.990 4.461 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.702 -5.846 5.236 1.00 0.00 C ATOM 1104 C VAL A 76 -9.845 -5.217 6.025 1.00 0.00 C ATOM 1105 O VAL A 76 -10.765 -4.637 5.449 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.067 -4.774 4.330 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.738 -5.262 3.776 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.018 -4.399 3.204 1.00 0.00 C ATOM 0 H VAL A 76 -10.113 -6.898 4.098 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.948 -6.218 5.930 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.878 -3.883 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.305 -4.491 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.057 -5.477 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.898 -6.168 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.554 -3.641 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.240 -5.283 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.943 -4.005 3.625 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.781 -5.334 7.347 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.817 -4.772 8.193 1.00 0.00 C ATOM 1120 C GLY A 77 -12.094 -5.588 8.167 1.00 0.00 C ATOM 1121 O GLY A 77 -12.601 -5.997 9.210 1.00 0.00 O ATOM 0 H GLY A 77 -9.030 -5.808 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.451 -4.709 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.034 -3.754 7.869 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.618 -5.825 6.967 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.840 -6.594 6.831 1.00 0.00 C ATOM 1127 C GLY A 78 -13.576 -8.051 6.506 1.00 0.00 C ATOM 1128 O GLY A 78 -12.428 -8.501 6.524 1.00 0.00 O ATOM 0 H GLY A 78 -12.217 -5.498 6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.411 -6.529 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.456 -6.156 6.046 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.638 -8.793 6.210 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.514 -10.209 5.881 1.00 0.00 C ATOM 1134 C LEU A 79 -14.177 -10.398 4.406 1.00 0.00 C ATOM 1135 O LEU A 79 -13.643 -11.433 4.010 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.812 -10.945 6.219 1.00 0.00 C ATOM 1137 CG LEU A 79 -17.079 -10.413 5.548 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.312 -11.111 4.217 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -18.282 -10.592 6.463 1.00 0.00 C ATOM 0 H LEU A 79 -15.594 -8.438 6.191 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.701 -10.626 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.693 -11.994 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.955 -10.911 7.299 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.946 -9.348 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.218 -10.719 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.462 -10.932 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.423 -12.183 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -19.175 -10.208 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -18.417 -11.651 6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.117 -10.046 7.392 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.493 -9.390 3.598 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.222 -9.446 2.166 1.00 0.00 C ATOM 1153 C GLU A 80 -12.932 -10.210 1.886 1.00 0.00 C ATOM 1154 O GLU A 80 -11.839 -9.642 1.919 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.126 -8.033 1.588 1.00 0.00 C ATOM 1156 CG GLU A 80 -13.389 -7.055 2.486 1.00 0.00 C ATOM 1157 CD GLU A 80 -12.887 -5.837 1.736 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -13.376 -5.586 0.615 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -12.004 -5.134 2.270 1.00 0.00 O ATOM 0 H GLU A 80 -14.936 -8.526 3.910 1.00 0.00 H new ATOM 0 HA GLU A 80 -15.047 -9.972 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.621 -8.078 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -15.132 -7.656 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.053 -6.734 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.545 -7.562 2.953 1.00 0.00 H new ATOM 1166 N THR A 81 -13.065 -11.505 1.610 1.00 0.00 N ATOM 1167 CA THR A 81 -11.911 -12.348 1.325 1.00 0.00 C ATOM 1168 C THR A 81 -11.793 -12.633 -0.167 1.00 0.00 C ATOM 1169 O THR A 81 -12.499 -13.488 -0.704 1.00 0.00 O ATOM 1170 CB THR A 81 -11.991 -13.685 2.087 1.00 0.00 C ATOM 1171 OG1 THR A 81 -13.316 -14.221 1.997 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.612 -13.498 3.549 1.00 0.00 C ATOM 0 H THR A 81 -13.961 -11.992 1.578 1.00 0.00 H new ATOM 0 HA THR A 81 -11.029 -11.800 1.658 1.00 0.00 H new ATOM 0 HB THR A 81 -11.286 -14.381 1.632 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.612 -14.206 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.676 -14.455 4.067 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.593 -13.117 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.296 -12.788 4.014 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.897 -11.913 -0.833 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.686 -12.089 -2.265 1.00 0.00 C ATOM 1182 C PHE A 82 -9.854 -13.338 -2.543 1.00 0.00 C ATOM 1183 O PHE A 82 -9.267 -13.920 -1.632 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.993 -10.860 -2.856 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.655 -9.563 -2.484 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.412 -8.973 -1.254 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.520 -8.934 -3.366 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -11.020 -7.780 -0.909 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.129 -7.741 -3.026 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.880 -7.164 -1.797 1.00 0.00 C ATOM 0 H PHE A 82 -10.305 -11.202 -0.404 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.661 -12.210 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.957 -10.840 -2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.973 -10.951 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.740 -9.451 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.720 -9.381 -4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.823 -7.331 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.800 -7.260 -3.722 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.357 -6.232 -1.530 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.810 -13.742 -3.808 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.051 -14.921 -4.208 1.00 0.00 C ATOM 1202 C ASP A 83 -7.551 -14.653 -4.131 1.00 0.00 C ATOM 1203 O ASP A 83 -6.767 -15.542 -3.800 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.433 -15.343 -5.627 1.00 0.00 C ATOM 1205 CG ASP A 83 -10.723 -16.138 -5.666 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -11.066 -16.762 -4.640 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -11.389 -16.137 -6.723 1.00 0.00 O ATOM 0 H ASP A 83 -10.291 -13.270 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.294 -15.730 -3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.537 -14.456 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.628 -15.941 -6.055 1.00 0.00 H new ATOM 1212 N SER A 84 -7.159 -13.421 -4.438 1.00 0.00 N ATOM 1213 CA SER A 84 -5.752 -13.036 -4.409 1.00 0.00 C ATOM 1214 C SER A 84 -5.603 -11.518 -4.408 1.00 0.00 C ATOM 1215 O SER A 84 -6.594 -10.785 -4.424 1.00 0.00 O ATOM 1216 CB SER A 84 -5.013 -13.631 -5.609 1.00 0.00 C ATOM 1217 OG SER A 84 -4.498 -14.916 -5.306 1.00 0.00 O ATOM 0 H SER A 84 -7.796 -12.672 -4.710 1.00 0.00 H new ATOM 0 HA SER A 84 -5.314 -13.427 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.691 -13.699 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.198 -12.969 -5.903 1.00 0.00 H new ATOM 0 HG SER A 84 -5.129 -15.394 -4.728 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.360 -11.051 -4.389 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.079 -9.620 -4.385 1.00 0.00 C ATOM 1225 C LEU A 85 -4.569 -8.966 -5.674 1.00 0.00 C ATOM 1226 O LEU A 85 -5.031 -7.825 -5.668 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.579 -9.374 -4.213 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.070 -9.314 -2.772 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -2.696 -8.141 -2.034 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.364 -10.620 -2.049 1.00 0.00 C ATOM 0 H LEU A 85 -3.530 -11.643 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.612 -9.173 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.039 -10.164 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.326 -8.435 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.990 -9.169 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.322 -8.114 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.435 -7.212 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.780 -8.256 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.995 -10.560 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.440 -10.795 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.868 -11.442 -2.566 1.00 0.00 H new ATOM 1242 N THR A 86 -4.466 -9.698 -6.779 1.00 0.00 N ATOM 1243 CA THR A 86 -4.898 -9.191 -8.075 1.00 0.00 C ATOM 1244 C THR A 86 -6.378 -8.823 -8.055 1.00 0.00 C ATOM 1245 O THR A 86 -6.792 -7.841 -8.672 1.00 0.00 O ATOM 1246 CB THR A 86 -4.652 -10.221 -9.193 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.286 -10.651 -9.170 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.980 -9.630 -10.556 1.00 0.00 C ATOM 0 H THR A 86 -4.087 -10.645 -6.802 1.00 0.00 H new ATOM 0 HA THR A 86 -4.306 -8.298 -8.278 1.00 0.00 H new ATOM 0 HB THR A 86 -5.305 -11.076 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.138 -11.307 -9.883 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.798 -10.376 -11.329 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.028 -9.330 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.349 -8.760 -10.736 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.170 -9.617 -7.344 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.605 -9.374 -7.242 1.00 0.00 C ATOM 1258 C ASP A 87 -8.903 -8.307 -6.194 1.00 0.00 C ATOM 1259 O ASP A 87 -9.597 -7.328 -6.467 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.340 -10.670 -6.894 1.00 0.00 C ATOM 1261 CG ASP A 87 -10.794 -10.643 -7.323 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -11.537 -9.758 -6.849 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -11.189 -11.507 -8.134 1.00 0.00 O ATOM 0 H ASP A 87 -6.843 -10.435 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.957 -9.015 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.838 -11.510 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.284 -10.838 -5.819 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.375 -8.505 -4.990 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.585 -7.561 -3.898 1.00 0.00 C ATOM 1270 C LEU A 88 -8.093 -6.169 -4.280 1.00 0.00 C ATOM 1271 O LEU A 88 -8.687 -5.162 -3.894 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.864 -8.042 -2.637 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.882 -7.081 -1.448 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.872 -7.854 -0.138 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.699 -6.127 -1.514 1.00 0.00 C ATOM 0 H LEU A 88 -7.799 -9.311 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.655 -7.505 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.312 -8.985 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.826 -8.252 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.799 -6.494 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.885 -7.154 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.752 -8.496 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.972 -8.467 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.729 -5.451 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.770 -6.697 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.749 -5.549 -2.436 1.00 0.00 H new ATOM 1287 N VAL A 89 -7.005 -6.120 -5.043 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.436 -4.851 -5.481 1.00 0.00 C ATOM 1289 C VAL A 89 -7.199 -4.289 -6.675 1.00 0.00 C ATOM 1290 O VAL A 89 -7.547 -3.108 -6.702 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.950 -5.003 -5.859 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.388 -3.680 -6.356 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.151 -5.521 -4.674 1.00 0.00 C ATOM 0 H VAL A 89 -6.501 -6.944 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.521 -4.160 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.870 -5.730 -6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.338 -3.806 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.945 -3.355 -7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.478 -2.929 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.104 -5.623 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.236 -4.820 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.540 -6.492 -4.369 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.456 -5.142 -7.661 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.177 -4.730 -8.859 1.00 0.00 C ATOM 1305 C GLU A 90 -9.473 -4.010 -8.493 1.00 0.00 C ATOM 1306 O GLU A 90 -9.812 -2.982 -9.081 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.487 -5.944 -9.738 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.362 -6.303 -10.696 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.513 -7.697 -11.274 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -8.083 -8.567 -10.585 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -7.059 -7.916 -12.417 1.00 0.00 O ATOM 0 H GLU A 90 -7.176 -6.123 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.542 -4.040 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.696 -6.802 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.392 -5.746 -10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.336 -5.577 -11.509 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.408 -6.231 -10.174 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.193 -4.559 -7.520 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.451 -3.970 -7.076 1.00 0.00 C ATOM 1320 C HIS A 91 -11.234 -2.551 -6.557 1.00 0.00 C ATOM 1321 O HIS A 91 -11.988 -1.637 -6.886 1.00 0.00 O ATOM 1322 CB HIS A 91 -12.086 -4.833 -5.984 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.457 -4.382 -5.585 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.733 -3.801 -4.366 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.633 -4.429 -6.253 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.020 -3.511 -4.300 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.588 -3.882 -5.434 1.00 0.00 N ATOM 0 H HIS A 91 -9.927 -5.410 -7.024 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.125 -3.926 -7.932 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.139 -5.864 -6.333 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.440 -4.826 -5.106 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.790 -4.824 -7.246 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.522 -3.050 -3.463 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.576 -3.778 -5.663 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.198 -2.377 -5.743 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.882 -1.071 -5.176 1.00 0.00 C ATOM 1338 C PHE A 92 -9.332 -0.132 -6.246 1.00 0.00 C ATOM 1339 O PHE A 92 -9.443 1.088 -6.135 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.868 -1.216 -4.039 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.439 -1.855 -2.806 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.639 -1.414 -2.272 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.774 -2.898 -2.180 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.166 -2.001 -1.137 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.298 -3.489 -1.045 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.494 -3.039 -0.523 1.00 0.00 C ATOM 0 H PHE A 92 -9.563 -3.124 -5.461 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.803 -0.643 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.024 -1.810 -4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.479 -0.231 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.169 -0.602 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.837 -3.253 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.102 -1.648 -0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.772 -4.302 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.904 -3.498 0.365 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.738 -0.712 -7.284 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.170 0.070 -8.376 1.00 0.00 C ATOM 1358 C LYS A 93 -9.254 0.865 -9.097 1.00 0.00 C ATOM 1359 O LYS A 93 -8.980 1.902 -9.702 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.452 -0.849 -9.368 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.056 -1.249 -8.924 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.436 -2.257 -9.877 1.00 0.00 C ATOM 1363 CE LYS A 93 -3.922 -2.121 -9.925 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.271 -3.346 -10.469 1.00 0.00 N ATOM 0 H LYS A 93 -8.638 -1.721 -7.392 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.451 0.771 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.049 -1.749 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.388 -0.348 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.423 -0.363 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.100 -1.674 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.702 -3.267 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.847 -2.115 -10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.654 -1.263 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.543 -1.923 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.240 -3.213 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.506 -4.161 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.613 -3.521 -11.436 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.487 0.374 -9.027 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.614 1.040 -9.670 1.00 0.00 C ATOM 1380 C LYS A 94 -12.470 1.775 -8.643 1.00 0.00 C ATOM 1381 O LYS A 94 -12.864 2.922 -8.855 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.469 0.022 -10.427 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.637 -1.297 -9.694 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.487 -2.275 -10.490 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.206 -3.258 -9.580 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.459 -3.772 -10.200 1.00 0.00 N ATOM 0 H LYS A 94 -10.731 -0.483 -8.531 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.218 1.770 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.453 0.453 -10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.016 -0.168 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.657 -1.736 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.100 -1.118 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.218 -1.725 -11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.855 -2.821 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.544 -4.093 -9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.442 -2.771 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.920 -4.439 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.101 -2.978 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.231 -4.259 -11.090 1.00 0.00 H new ATOM 1400 N THR A 95 -12.752 1.108 -7.528 1.00 0.00 N ATOM 1401 CA THR A 95 -13.560 1.699 -6.469 1.00 0.00 C ATOM 1402 C THR A 95 -12.705 2.546 -5.533 1.00 0.00 C ATOM 1403 O THR A 95 -13.046 3.688 -5.228 1.00 0.00 O ATOM 1404 CB THR A 95 -14.285 0.617 -5.646 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.341 -0.343 -5.158 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.341 -0.085 -6.486 1.00 0.00 C ATOM 0 H THR A 95 -12.433 0.159 -7.335 1.00 0.00 H new ATOM 0 HA THR A 95 -14.301 2.334 -6.954 1.00 0.00 H new ATOM 0 HB THR A 95 -14.777 1.102 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.102 -0.963 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.839 -0.845 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.075 0.643 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.867 -0.558 -7.346 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.592 1.978 -5.079 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.706 2.696 -4.182 1.00 0.00 C ATOM 1416 C GLY A 96 -10.878 2.274 -2.736 1.00 0.00 C ATOM 1417 O GLY A 96 -11.952 1.822 -2.338 1.00 0.00 O ATOM 0 H GLY A 96 -11.288 1.034 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.673 2.528 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.894 3.766 -4.270 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.818 2.421 -1.949 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.856 2.051 -0.539 1.00 0.00 C ATOM 1423 C ILE A 97 -10.272 3.235 0.328 1.00 0.00 C ATOM 1424 O ILE A 97 -9.712 4.325 0.217 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.490 1.530 -0.056 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.086 0.285 -0.847 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.537 1.225 1.435 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.755 -0.294 -0.425 1.00 0.00 C ATOM 0 H ILE A 97 -8.922 2.794 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.594 1.255 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.741 2.304 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.857 -0.476 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.044 0.536 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.564 0.858 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.785 2.133 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.295 0.466 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.533 -1.174 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.972 0.451 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.798 -0.577 0.627 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.256 3.011 1.193 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.747 4.060 2.081 1.00 0.00 C ATOM 1442 C GLU A 98 -11.164 3.902 3.483 1.00 0.00 C ATOM 1443 O GLU A 98 -11.350 2.872 4.130 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.274 4.032 2.145 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.890 5.352 2.576 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.382 5.247 2.824 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.812 4.257 3.452 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.120 6.156 2.390 1.00 0.00 O ATOM 0 H GLU A 98 -11.729 2.113 1.298 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.426 5.021 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.665 3.761 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.586 3.252 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.398 5.698 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.705 6.103 1.808 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.457 4.930 3.943 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.847 4.904 5.266 1.00 0.00 C ATOM 1457 C GLU A 99 -10.855 5.312 6.339 1.00 0.00 C ATOM 1458 O GLU A 99 -11.664 6.215 6.132 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.634 5.835 5.311 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.355 5.194 4.798 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.372 6.211 4.251 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.585 6.692 3.117 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.390 6.525 4.956 1.00 0.00 O ATOM 0 H GLU A 99 -10.293 5.790 3.419 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.521 3.884 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.847 6.725 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.478 6.166 6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.883 4.636 5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.601 4.475 4.016 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.798 4.638 7.483 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.702 4.930 8.587 1.00 0.00 C ATOM 1472 C ALA A 100 -11.877 6.433 8.771 1.00 0.00 C ATOM 1473 O ALA A 100 -12.985 6.916 8.999 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.190 4.294 9.871 1.00 0.00 C ATOM 0 H ALA A 100 -10.135 3.886 7.669 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.677 4.505 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.875 4.520 10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.125 3.214 9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.203 4.692 10.105 1.00 0.00 H new ATOM 1480 N SER A 101 -10.774 7.169 8.671 1.00 0.00 N ATOM 1481 CA SER A 101 -10.804 8.618 8.832 1.00 0.00 C ATOM 1482 C SER A 101 -11.766 9.254 7.834 1.00 0.00 C ATOM 1483 O SER A 101 -12.488 10.195 8.164 1.00 0.00 O ATOM 1484 CB SER A 101 -9.402 9.201 8.649 1.00 0.00 C ATOM 1485 OG SER A 101 -9.261 10.422 9.357 1.00 0.00 O ATOM 0 H SER A 101 -9.849 6.785 8.479 1.00 0.00 H new ATOM 0 HA SER A 101 -11.153 8.841 9.840 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.658 8.485 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.209 9.367 7.589 1.00 0.00 H new ATOM 0 HG SER A 101 -8.356 10.774 9.226 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.770 8.735 6.610 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.647 9.264 5.582 1.00 0.00 C ATOM 1493 C GLY A 102 -11.908 9.581 4.297 1.00 0.00 C ATOM 1494 O GLY A 102 -12.411 10.318 3.449 1.00 0.00 O ATOM 0 H GLY A 102 -11.181 7.957 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.436 8.541 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.131 10.168 5.952 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.710 9.024 4.152 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.901 9.251 2.962 1.00 0.00 C ATOM 1500 C ALA A 103 -10.152 8.173 1.913 1.00 0.00 C ATOM 1501 O ALA A 103 -10.733 7.129 2.209 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.425 9.300 3.328 1.00 0.00 C ATOM 0 H ALA A 103 -10.279 8.412 4.845 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.190 10.211 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.833 9.470 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.252 10.111 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.131 8.354 3.782 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.712 8.433 0.687 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.891 7.485 -0.407 1.00 0.00 C ATOM 1510 C PHE A 104 -8.586 7.286 -1.173 1.00 0.00 C ATOM 1511 O PHE A 104 -8.090 8.204 -1.826 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.984 7.972 -1.359 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.370 7.583 -0.929 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.900 6.354 -1.285 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.142 8.447 -0.169 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.175 5.993 -0.892 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.418 8.091 0.229 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.935 6.863 -0.133 1.00 0.00 C ATOM 0 H PHE A 104 -9.229 9.292 0.425 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.191 6.528 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.928 9.058 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.794 7.569 -2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.310 5.670 -1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.743 9.409 0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.577 5.032 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.009 8.773 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.931 6.583 0.176 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.035 6.079 -1.087 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.789 5.758 -1.772 1.00 0.00 C ATOM 1530 C VAL A 105 -7.057 5.168 -3.153 1.00 0.00 C ATOM 1531 O VAL A 105 -7.807 4.202 -3.292 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.941 4.763 -0.957 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.592 4.541 -1.624 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.764 5.260 0.470 1.00 0.00 C ATOM 0 H VAL A 105 -8.432 5.308 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.237 6.692 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.464 3.807 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.006 3.835 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.743 4.139 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.058 5.489 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.163 4.546 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.262 6.227 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.741 5.364 0.943 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.437 5.755 -4.171 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.610 5.289 -5.541 1.00 0.00 C ATOM 1546 C TYR A 106 -5.338 4.620 -6.053 1.00 0.00 C ATOM 1547 O TYR A 106 -4.257 5.210 -6.025 1.00 0.00 O ATOM 1548 CB TYR A 106 -6.989 6.456 -6.455 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.131 7.294 -5.926 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.231 6.700 -5.318 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.110 8.679 -6.031 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.276 7.461 -4.834 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.150 9.448 -5.548 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.231 8.835 -4.951 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.270 9.597 -4.468 1.00 0.00 O ATOM 0 H TYR A 106 -5.811 6.554 -4.073 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.415 4.554 -5.549 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.117 7.094 -6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.260 6.065 -7.436 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.269 5.625 -5.223 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.265 9.163 -6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.124 6.983 -4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.117 10.524 -5.637 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.082 10.545 -4.628 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.475 3.385 -6.523 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.338 2.633 -7.043 1.00 0.00 C ATOM 1567 C LEU A 107 -4.402 2.532 -8.564 1.00 0.00 C ATOM 1568 O LEU A 107 -5.238 1.814 -9.113 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.303 1.233 -6.428 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.736 1.131 -4.966 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.234 0.890 -4.867 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -3.968 0.024 -4.258 1.00 0.00 C ATOM 0 H LEU A 107 -6.362 2.883 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.427 3.165 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.943 0.581 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.288 0.846 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.508 2.076 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.523 0.820 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.767 1.717 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.487 -0.040 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.289 -0.034 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.164 -0.928 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.900 0.240 -4.296 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.513 3.254 -9.238 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.468 3.246 -10.694 1.00 0.00 C ATOM 1586 C ARG A 108 -2.070 2.891 -11.193 1.00 0.00 C ATOM 1587 O ARG A 108 -1.914 2.289 -12.256 1.00 0.00 O ATOM 1588 CB ARG A 108 -3.889 4.608 -11.248 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.141 5.170 -10.596 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.698 6.347 -11.382 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.364 5.918 -12.609 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.514 5.255 -12.628 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -8.123 4.945 -11.491 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.058 4.899 -13.785 1.00 0.00 N ATOM 0 H ARG A 108 -2.814 3.852 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.165 2.487 -11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.070 5.315 -11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.058 4.518 -12.321 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.897 4.388 -10.524 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.912 5.486 -9.578 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.404 6.897 -10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.888 7.034 -11.630 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.921 6.140 -13.501 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.708 5.216 -10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.007 4.436 -11.508 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.592 5.135 -14.661 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.942 4.390 -13.798 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.059 3.269 -10.419 1.00 0.00 N ATOM 1609 CA GLN A 109 0.326 2.992 -10.783 1.00 0.00 C ATOM 1610 C GLN A 109 0.897 1.861 -9.933 1.00 0.00 C ATOM 1611 O GLN A 109 1.389 2.072 -8.825 1.00 0.00 O ATOM 1612 CB GLN A 109 1.181 4.250 -10.618 1.00 0.00 C ATOM 1613 CG GLN A 109 1.250 5.106 -11.873 1.00 0.00 C ATOM 1614 CD GLN A 109 1.412 6.581 -11.563 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.274 7.255 -12.130 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.583 7.093 -10.662 1.00 0.00 N ATOM 0 H GLN A 109 -1.172 3.768 -9.536 1.00 0.00 H new ATOM 0 HA GLN A 109 0.345 2.683 -11.828 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.778 4.849 -9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.191 3.958 -10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 109 2.085 4.774 -12.490 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.343 4.959 -12.459 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.116 6.499 -10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.645 8.081 -10.415 1.00 0.00 H new ATOM 1625 N PRO A 110 0.831 0.631 -10.464 1.00 0.00 N ATOM 1626 CA PRO A 110 1.336 -0.558 -9.770 1.00 0.00 C ATOM 1627 C PRO A 110 2.858 -0.572 -9.680 1.00 0.00 C ATOM 1628 O PRO A 110 3.534 -1.178 -10.512 1.00 0.00 O ATOM 1629 CB PRO A 110 0.841 -1.715 -10.642 1.00 0.00 C ATOM 1630 CG PRO A 110 0.677 -1.122 -12.000 1.00 0.00 C ATOM 1631 CD PRO A 110 0.257 0.305 -11.781 1.00 0.00 C ATOM 0 HA PRO A 110 0.989 -0.606 -8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.557 -2.537 -10.653 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.101 -2.117 -10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.609 -1.172 -12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.073 -1.665 -12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.642 0.962 -12.561 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.828 0.410 -11.784 1.00 0.00 H new ATOM 1639 N TYR A 111 3.392 0.097 -8.664 1.00 0.00 N ATOM 1640 CA TYR A 111 4.835 0.162 -8.466 1.00 0.00 C ATOM 1641 C TYR A 111 5.483 -1.195 -8.726 1.00 0.00 C ATOM 1642 O TYR A 111 5.391 -2.107 -7.904 1.00 0.00 O ATOM 1643 CB TYR A 111 5.155 0.628 -7.045 1.00 0.00 C ATOM 1644 CG TYR A 111 6.522 1.259 -6.909 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.897 2.334 -7.705 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.441 0.779 -5.984 1.00 0.00 C ATOM 1647 CE1 TYR A 111 8.145 2.914 -7.585 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.692 1.352 -5.855 1.00 0.00 C ATOM 1649 CZ TYR A 111 9.039 2.418 -6.658 1.00 0.00 C ATOM 1650 OH TYR A 111 10.284 2.991 -6.534 1.00 0.00 O ATOM 0 H TYR A 111 2.847 0.602 -7.965 1.00 0.00 H new ATOM 0 HA TYR A 111 5.242 0.881 -9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.399 1.347 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.088 -0.224 -6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.199 2.724 -8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.173 -0.057 -5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.419 3.750 -8.212 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.394 0.967 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 111 10.231 3.941 -6.767 1.00 0.00 H new ATOM 1660 N TYR A 112 6.138 -1.319 -9.875 1.00 0.00 N ATOM 1661 CA TYR A 112 6.799 -2.565 -10.246 1.00 0.00 C ATOM 1662 C TYR A 112 8.025 -2.812 -9.371 1.00 0.00 C ATOM 1663 O TYR A 112 8.520 -1.901 -8.707 1.00 0.00 O ATOM 1664 CB TYR A 112 7.209 -2.530 -11.719 1.00 0.00 C ATOM 1665 CG TYR A 112 6.178 -1.887 -12.619 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.168 -2.643 -13.200 1.00 0.00 C ATOM 1667 CD2 TYR A 112 6.216 -0.525 -12.890 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.224 -2.060 -14.024 1.00 0.00 C ATOM 1669 CE2 TYR A 112 5.276 0.067 -13.710 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.282 -0.705 -14.276 1.00 0.00 C ATOM 1671 OH TYR A 112 3.344 -0.120 -15.095 1.00 0.00 O ATOM 0 H TYR A 112 6.225 -0.573 -10.565 1.00 0.00 H new ATOM 0 HA TYR A 112 6.094 -3.381 -10.091 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.150 -1.988 -11.813 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.393 -3.549 -12.061 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.120 -3.704 -13.005 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.995 0.082 -12.452 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.445 -2.662 -14.468 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.318 1.128 -13.907 1.00 0.00 H new ATOM 0 HH TYR A 112 3.527 0.840 -15.168 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.803 2.692 8.452 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.046 3.443 8.340 1.00 0.00 C ATOM 1873 C ALA B 9 -5.256 2.519 8.426 1.00 0.00 C ATOM 1874 O ALA B 9 -5.345 1.529 7.700 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.073 4.229 7.036 1.00 0.00 C ATOM 0 HA ALA B 9 -4.095 4.142 9.175 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.008 4.785 6.966 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.234 4.925 7.013 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.997 3.540 6.194 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.184 2.848 9.321 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.387 2.044 9.503 1.00 0.00 C ATOM 1883 C GLU B 10 -8.303 2.153 8.287 1.00 0.00 C ATOM 1884 O GLU B 10 -8.132 3.034 7.443 1.00 0.00 O ATOM 1885 CB GLU B 10 -8.136 2.487 10.761 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.306 2.391 12.030 1.00 0.00 C ATOM 1887 CD GLU B 10 -8.043 2.907 13.250 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -8.791 3.898 13.118 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -7.873 2.318 14.338 1.00 0.00 O ATOM 0 H GLU B 10 -6.125 3.664 9.930 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.085 1.003 9.616 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.469 3.517 10.632 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -9.031 1.875 10.875 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -7.021 1.352 12.195 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -6.384 2.958 11.900 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.275 1.251 8.203 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.218 1.245 7.092 1.00 0.00 C ATOM 1898 C LEU B 11 -11.655 1.163 7.597 1.00 0.00 C ATOM 1899 O LEU B 11 -11.896 0.851 8.762 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.926 0.069 6.157 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.625 0.153 5.359 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.541 -0.984 4.352 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.517 1.499 4.656 1.00 0.00 C ATOM 0 H LEU B 11 -9.430 0.515 8.892 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.099 2.178 6.541 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.906 -0.845 6.751 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.754 -0.025 5.455 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.789 0.059 6.053 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.608 -0.907 3.794 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.572 -1.938 4.877 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.383 -0.922 3.662 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.585 1.542 4.093 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.359 1.622 3.975 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.530 2.298 5.397 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.606 1.443 6.711 1.00 0.00 N ATOM 1916 CA ASN B 12 -14.019 1.399 7.067 1.00 0.00 C ATOM 1917 C ASN B 12 -14.675 0.130 6.533 1.00 0.00 C ATOM 1918 O ASN B 12 -14.340 -0.346 5.447 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.743 2.631 6.519 1.00 0.00 C ATOM 1920 CG ASN B 12 -14.731 3.791 7.495 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -14.852 3.599 8.705 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -14.584 5.002 6.972 1.00 0.00 N ATOM 0 H ASN B 12 -12.423 1.703 5.742 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.094 1.395 8.154 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.272 2.940 5.586 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -15.774 2.368 6.284 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -14.568 5.821 7.579 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.487 5.113 5.963 1.00 0.00 H new