USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 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 43 THR OG1 : rot 25:sc= 0.226 USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0.00436 USER MOD Set 1.3: A 64 SER OG : rot -137:sc= 0.764 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -3.6! C(o=-3.6!,f=-4.2!) USER MOD Single : A 14 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 18 GLN : amide:sc=-0.00553 K(o=-0.0055,f=-0.61) USER MOD Single : A 20 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.11) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -145:sc= 1.87 (180deg=0.71!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00243 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.07) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 2.45 (180deg=2.38) USER MOD Single : A 62 ASN : amide:sc= -0.256 K(o=-0.26,f=-2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.013) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 52:sc= 0.0415 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 80 MET CE :methyl 161:sc= -0.613 (180deg=-1.36) USER MOD Single : A 81 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.23) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0022 USER MOD Single : A 86 CYS SG : rot -140:sc= -1.84 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 1.19 (180deg=1.08) USER MOD Single : A 93 MET CE :methyl -159:sc= -0.839 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.791 1.544 -7.085 1.00 0.00 N ATOM 94 CA GLU A 9 5.409 1.294 -7.385 1.00 0.00 C ATOM 95 C GLU A 9 5.196 -0.202 -7.689 1.00 0.00 C ATOM 96 O GLU A 9 4.143 -0.774 -7.384 1.00 0.00 O ATOM 97 CB GLU A 9 5.041 2.176 -8.567 1.00 0.00 C ATOM 98 CG GLU A 9 3.570 2.429 -8.764 1.00 0.00 C ATOM 99 CD GLU A 9 3.340 3.337 -9.938 1.00 0.00 C ATOM 100 OE1 GLU A 9 3.826 4.489 -9.925 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.719 2.900 -10.933 1.00 0.00 O ATOM 0 HA GLU A 9 4.766 1.533 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.543 3.136 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.436 1.719 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.051 1.483 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.149 2.877 -7.864 1.00 0.00 H new ATOM 108 N TRP A 10 6.231 -0.834 -8.247 1.00 0.00 N ATOM 109 CA TRP A 10 6.215 -2.262 -8.554 1.00 0.00 C ATOM 110 C TRP A 10 6.068 -3.088 -7.295 1.00 0.00 C ATOM 111 O TRP A 10 5.276 -4.018 -7.255 1.00 0.00 O ATOM 112 CB TRP A 10 7.492 -2.682 -9.308 1.00 0.00 C ATOM 113 CG TRP A 10 7.673 -4.161 -9.462 1.00 0.00 C ATOM 114 CD1 TRP A 10 7.102 -4.966 -10.389 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.491 -5.005 -8.646 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.509 -6.258 -10.202 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.359 -6.310 -9.136 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.317 -4.780 -7.544 1.00 0.00 C ATOM 119 CZ2 TRP A 10 9.020 -7.385 -8.567 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.968 -5.848 -6.979 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.815 -7.135 -7.494 1.00 0.00 C ATOM 0 H TRP A 10 7.103 -0.368 -8.498 1.00 0.00 H new ATOM 0 HA TRP A 10 5.354 -2.447 -9.196 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.479 -2.227 -10.298 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.357 -2.277 -8.783 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.424 -4.636 -11.163 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.223 -7.056 -10.769 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.442 -3.785 -7.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.908 -8.384 -8.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.608 -5.690 -6.123 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.342 -7.954 -7.028 1.00 0.00 H new ATOM 132 N THR A 11 6.820 -2.752 -6.272 1.00 0.00 N ATOM 133 CA THR A 11 6.769 -3.506 -5.039 1.00 0.00 C ATOM 134 C THR A 11 5.363 -3.477 -4.462 1.00 0.00 C ATOM 135 O THR A 11 4.819 -4.507 -4.053 1.00 0.00 O ATOM 136 CB THR A 11 7.778 -2.975 -4.011 1.00 0.00 C ATOM 137 OG1 THR A 11 9.099 -2.993 -4.578 1.00 0.00 O ATOM 138 CG2 THR A 11 7.752 -3.828 -2.746 1.00 0.00 C ATOM 0 H THR A 11 7.471 -1.967 -6.268 1.00 0.00 H new ATOM 0 HA THR A 11 7.039 -4.537 -5.268 1.00 0.00 H new ATOM 0 HB THR A 11 7.505 -1.953 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.742 -2.652 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.473 -3.437 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.754 -3.800 -2.309 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.010 -4.857 -2.996 1.00 0.00 H new ATOM 146 N LEU A 12 4.766 -2.313 -4.514 1.00 0.00 N ATOM 147 CA LEU A 12 3.439 -2.113 -4.016 1.00 0.00 C ATOM 148 C LEU A 12 2.432 -2.967 -4.776 1.00 0.00 C ATOM 149 O LEU A 12 1.654 -3.711 -4.169 1.00 0.00 O ATOM 150 CB LEU A 12 3.065 -0.656 -4.141 1.00 0.00 C ATOM 151 CG LEU A 12 3.836 0.309 -3.265 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.374 1.736 -3.519 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.651 -0.064 -1.806 1.00 0.00 C ATOM 0 H LEU A 12 5.195 -1.475 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 12 3.418 -2.412 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.198 -0.356 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.004 -0.554 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 12 4.896 0.247 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.936 2.419 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.543 1.992 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.311 1.820 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.207 0.633 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.593 -0.017 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.020 -1.076 -1.640 1.00 0.00 H new ATOM 165 N GLN A 13 2.473 -2.885 -6.111 1.00 0.00 N ATOM 166 CA GLN A 13 1.542 -3.632 -6.943 1.00 0.00 C ATOM 167 C GLN A 13 1.712 -5.130 -6.735 1.00 0.00 C ATOM 168 O GLN A 13 0.747 -5.823 -6.555 1.00 0.00 O ATOM 169 CB GLN A 13 1.659 -3.263 -8.441 1.00 0.00 C ATOM 170 CG GLN A 13 2.964 -3.652 -9.097 1.00 0.00 C ATOM 171 CD GLN A 13 3.026 -3.323 -10.567 1.00 0.00 C ATOM 172 OE1 GLN A 13 4.094 -3.003 -11.106 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.931 -3.471 -11.241 1.00 0.00 N ATOM 0 H GLN A 13 3.138 -2.311 -6.629 1.00 0.00 H new ATOM 0 HA GLN A 13 0.538 -3.350 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.842 -3.741 -8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.524 -2.186 -8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.782 -3.145 -8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.121 -4.723 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.070 -3.735 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.929 -3.323 -12.250 1.00 0.00 H new ATOM 182 N THR A 14 2.955 -5.584 -6.663 1.00 0.00 N ATOM 183 CA THR A 14 3.279 -6.994 -6.517 1.00 0.00 C ATOM 184 C THR A 14 2.643 -7.589 -5.246 1.00 0.00 C ATOM 185 O THR A 14 2.138 -8.707 -5.264 1.00 0.00 O ATOM 186 CB THR A 14 4.815 -7.182 -6.515 1.00 0.00 C ATOM 187 OG1 THR A 14 5.347 -6.617 -7.711 1.00 0.00 O ATOM 188 CG2 THR A 14 5.205 -8.642 -6.476 1.00 0.00 C ATOM 0 H THR A 14 3.774 -4.977 -6.705 1.00 0.00 H new ATOM 0 HA THR A 14 2.861 -7.535 -7.366 1.00 0.00 H new ATOM 0 HB THR A 14 5.210 -6.692 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.403 -5.643 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.292 -8.728 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.804 -9.102 -5.573 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.801 -9.150 -7.351 1.00 0.00 H new ATOM 196 N LEU A 15 2.621 -6.811 -4.178 1.00 0.00 N ATOM 197 CA LEU A 15 2.025 -7.244 -2.920 1.00 0.00 C ATOM 198 C LEU A 15 0.508 -7.289 -3.055 1.00 0.00 C ATOM 199 O LEU A 15 -0.148 -8.273 -2.690 1.00 0.00 O ATOM 200 CB LEU A 15 2.395 -6.260 -1.815 1.00 0.00 C ATOM 201 CG LEU A 15 3.890 -6.055 -1.569 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.122 -4.876 -0.645 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.509 -7.306 -0.980 1.00 0.00 C ATOM 0 H LEU A 15 3.011 -5.869 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 15 2.400 -8.237 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.951 -5.294 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.938 -6.600 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 15 4.366 -5.847 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.192 -4.746 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.712 -3.973 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.629 -5.060 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.573 -7.141 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.024 -7.540 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.376 -8.138 -1.671 1.00 0.00 H new ATOM 215 N LEU A 16 -0.038 -6.250 -3.635 1.00 0.00 N ATOM 216 CA LEU A 16 -1.473 -6.103 -3.761 1.00 0.00 C ATOM 217 C LEU A 16 -2.049 -6.992 -4.880 1.00 0.00 C ATOM 218 O LEU A 16 -3.251 -7.151 -4.998 1.00 0.00 O ATOM 219 CB LEU A 16 -1.834 -4.635 -3.960 1.00 0.00 C ATOM 220 CG LEU A 16 -1.365 -3.669 -2.853 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.630 -2.237 -3.244 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.064 -3.971 -1.545 1.00 0.00 C ATOM 0 H LEU A 16 0.497 -5.479 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.932 -6.446 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.412 -4.302 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.918 -4.556 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.292 -3.810 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.291 -1.574 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.092 -2.005 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.699 -2.095 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.718 -3.277 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.141 -3.861 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.838 -4.992 -1.239 1.00 0.00 H new ATOM 234 N GLU A 17 -1.190 -7.552 -5.703 1.00 0.00 N ATOM 235 CA GLU A 17 -1.626 -8.509 -6.706 1.00 0.00 C ATOM 236 C GLU A 17 -1.624 -9.920 -6.110 1.00 0.00 C ATOM 237 O GLU A 17 -2.023 -10.888 -6.753 1.00 0.00 O ATOM 238 CB GLU A 17 -0.777 -8.433 -7.992 1.00 0.00 C ATOM 239 CG GLU A 17 -0.916 -7.102 -8.744 1.00 0.00 C ATOM 240 CD GLU A 17 -0.168 -7.070 -10.066 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.736 -7.507 -11.089 1.00 0.00 O ATOM 242 OE2 GLU A 17 0.982 -6.597 -10.115 1.00 0.00 O ATOM 0 H GLU A 17 -0.187 -7.364 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.644 -8.254 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.271 -8.587 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.066 -9.248 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.972 -6.907 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.550 -6.295 -8.109 1.00 0.00 H new ATOM 249 N GLN A 18 -1.167 -10.015 -4.873 1.00 0.00 N ATOM 250 CA GLN A 18 -1.166 -11.262 -4.126 1.00 0.00 C ATOM 251 C GLN A 18 -2.294 -11.224 -3.116 1.00 0.00 C ATOM 252 O GLN A 18 -3.162 -12.106 -3.081 1.00 0.00 O ATOM 253 CB GLN A 18 0.171 -11.459 -3.416 1.00 0.00 C ATOM 254 CG GLN A 18 1.330 -11.618 -4.364 1.00 0.00 C ATOM 255 CD GLN A 18 2.663 -11.735 -3.668 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.774 -12.255 -2.556 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.680 -11.241 -4.307 1.00 0.00 N ATOM 0 H GLN A 18 -0.784 -9.224 -4.355 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.310 -12.098 -4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.358 -10.605 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.109 -12.340 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.169 -12.505 -4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.356 -10.764 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.549 -10.818 -5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.610 -11.276 -3.890 1.00 0.00 H new ATOM 266 N LEU A 19 -2.305 -10.185 -2.317 1.00 0.00 N ATOM 267 CA LEU A 19 -3.349 -9.990 -1.350 1.00 0.00 C ATOM 268 C LEU A 19 -4.410 -9.165 -2.049 1.00 0.00 C ATOM 269 O LEU A 19 -4.106 -8.119 -2.580 1.00 0.00 O ATOM 270 CB LEU A 19 -2.790 -9.236 -0.105 1.00 0.00 C ATOM 271 CG LEU A 19 -2.646 -7.702 -0.219 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.860 -6.970 0.329 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.366 -7.179 0.359 1.00 0.00 C ATOM 0 H LEU A 19 -1.592 -9.455 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.757 -10.936 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.440 -9.453 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.810 -9.651 0.131 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.597 -7.491 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.713 -5.895 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.748 -7.269 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.991 -7.220 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.331 -6.096 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.314 -7.434 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.521 -7.626 -0.164 1.00 0.00 H new ATOM 285 N ASN A 20 -5.619 -9.652 -2.133 1.00 0.00 N ATOM 286 CA ASN A 20 -6.674 -8.876 -2.782 1.00 0.00 C ATOM 287 C ASN A 20 -8.053 -9.431 -2.537 1.00 0.00 C ATOM 288 O ASN A 20 -8.841 -8.757 -1.900 1.00 0.00 O ATOM 289 CB ASN A 20 -6.405 -8.627 -4.296 1.00 0.00 C ATOM 290 CG ASN A 20 -6.176 -9.897 -5.084 1.00 0.00 C ATOM 291 OD1 ASN A 20 -7.097 -10.480 -5.656 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.963 -10.371 -5.036 1.00 0.00 N ATOM 0 H ASN A 20 -5.907 -10.562 -1.773 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.646 -7.899 -2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.252 -8.091 -4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.533 -7.981 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.745 -11.261 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.232 -9.852 -4.550 1.00 0.00 H new ATOM 299 N GLU A 21 -8.264 -10.710 -2.923 1.00 0.00 N ATOM 300 CA GLU A 21 -9.578 -11.411 -2.938 1.00 0.00 C ATOM 301 C GLU A 21 -10.556 -10.889 -1.868 1.00 0.00 C ATOM 302 O GLU A 21 -11.557 -10.261 -2.193 1.00 0.00 O ATOM 303 CB GLU A 21 -9.366 -12.906 -2.785 1.00 0.00 C ATOM 304 CG GLU A 21 -10.475 -13.720 -3.391 1.00 0.00 C ATOM 305 CD GLU A 21 -10.476 -13.600 -4.891 1.00 0.00 C ATOM 306 OE1 GLU A 21 -11.133 -12.676 -5.424 1.00 0.00 O ATOM 307 OE2 GLU A 21 -9.780 -14.397 -5.557 1.00 0.00 O ATOM 0 H GLU A 21 -7.502 -11.307 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.041 -11.201 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.421 -13.183 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.281 -13.149 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.360 -14.766 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.434 -13.386 -2.995 1.00 0.00 H new ATOM 314 N ASP A 22 -10.273 -11.151 -0.611 1.00 0.00 N ATOM 315 CA ASP A 22 -11.044 -10.523 0.473 1.00 0.00 C ATOM 316 C ASP A 22 -10.093 -9.802 1.378 1.00 0.00 C ATOM 317 O ASP A 22 -10.454 -9.261 2.419 1.00 0.00 O ATOM 318 CB ASP A 22 -11.857 -11.526 1.280 1.00 0.00 C ATOM 319 CG ASP A 22 -12.992 -12.147 0.506 1.00 0.00 C ATOM 320 OD1 ASP A 22 -14.021 -11.469 0.287 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.886 -13.322 0.085 1.00 0.00 O ATOM 0 H ASP A 22 -9.532 -11.781 -0.304 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.757 -9.834 0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.195 -12.316 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.260 -11.028 2.162 1.00 0.00 H new ATOM 326 N GLU A 23 -8.891 -9.745 0.911 1.00 0.00 N ATOM 327 CA GLU A 23 -7.750 -9.233 1.641 1.00 0.00 C ATOM 328 C GLU A 23 -7.697 -7.734 1.531 1.00 0.00 C ATOM 329 O GLU A 23 -7.407 -7.035 2.492 1.00 0.00 O ATOM 330 CB GLU A 23 -6.503 -9.775 0.986 1.00 0.00 C ATOM 331 CG GLU A 23 -6.573 -11.242 0.669 1.00 0.00 C ATOM 332 CD GLU A 23 -6.520 -12.111 1.890 1.00 0.00 C ATOM 333 OE1 GLU A 23 -5.413 -12.420 2.357 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.579 -12.541 2.372 1.00 0.00 O ATOM 0 H GLU A 23 -8.653 -10.064 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.826 -9.527 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.318 -9.222 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.652 -9.595 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.495 -11.446 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.747 -11.504 0.007 1.00 0.00 H new ATOM 341 N LEU A 24 -8.004 -7.242 0.343 1.00 0.00 N ATOM 342 CA LEU A 24 -7.874 -5.832 0.053 1.00 0.00 C ATOM 343 C LEU A 24 -8.902 -5.069 0.845 1.00 0.00 C ATOM 344 O LEU A 24 -8.671 -3.956 1.271 1.00 0.00 O ATOM 345 CB LEU A 24 -8.081 -5.581 -1.431 1.00 0.00 C ATOM 346 CG LEU A 24 -7.356 -4.383 -2.015 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.851 -4.610 -1.984 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.821 -4.128 -3.425 1.00 0.00 C ATOM 0 H LEU A 24 -8.346 -7.804 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.874 -5.498 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.767 -6.471 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.149 -5.457 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.586 -3.506 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.343 -3.743 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.526 -4.755 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.604 -5.495 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.293 -3.266 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.614 -5.004 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.893 -3.930 -3.424 1.00 0.00 H new ATOM 360 N LYS A 25 -10.017 -5.721 1.063 1.00 0.00 N ATOM 361 CA LYS A 25 -11.128 -5.195 1.826 1.00 0.00 C ATOM 362 C LYS A 25 -10.665 -4.861 3.237 1.00 0.00 C ATOM 363 O LYS A 25 -10.936 -3.771 3.760 1.00 0.00 O ATOM 364 CB LYS A 25 -12.214 -6.256 1.847 1.00 0.00 C ATOM 365 CG LYS A 25 -12.631 -6.672 0.448 1.00 0.00 C ATOM 366 CD LYS A 25 -13.525 -7.875 0.455 1.00 0.00 C ATOM 367 CE LYS A 25 -13.971 -8.210 -0.959 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.931 -9.321 -0.992 1.00 0.00 N ATOM 0 H LYS A 25 -10.184 -6.661 0.705 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.515 -4.280 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.857 -7.129 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.082 -5.876 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.146 -5.843 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.742 -6.886 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.998 -8.725 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.396 -7.686 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.423 -7.328 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.100 -8.468 -1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.925 -9.757 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.664 -10.032 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.884 -8.962 -0.782 1.00 0.00 H new ATOM 382 N SER A 26 -9.940 -5.783 3.826 1.00 0.00 N ATOM 383 CA SER A 26 -9.354 -5.622 5.097 1.00 0.00 C ATOM 384 C SER A 26 -8.329 -4.493 5.068 1.00 0.00 C ATOM 385 O SER A 26 -8.407 -3.546 5.851 1.00 0.00 O ATOM 386 CB SER A 26 -8.670 -6.918 5.398 1.00 0.00 C ATOM 387 OG SER A 26 -9.601 -7.985 5.391 1.00 0.00 O ATOM 0 H SER A 26 -9.747 -6.690 3.402 1.00 0.00 H new ATOM 0 HA SER A 26 -10.100 -5.371 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.890 -7.104 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.181 -6.861 6.371 1.00 0.00 H new ATOM 0 HG SER A 26 -9.137 -8.825 5.588 1.00 0.00 H new ATOM 393 N PHE A 27 -7.414 -4.597 4.128 1.00 0.00 N ATOM 394 CA PHE A 27 -6.318 -3.663 3.937 1.00 0.00 C ATOM 395 C PHE A 27 -6.826 -2.195 3.855 1.00 0.00 C ATOM 396 O PHE A 27 -6.310 -1.315 4.557 1.00 0.00 O ATOM 397 CB PHE A 27 -5.571 -4.085 2.661 1.00 0.00 C ATOM 398 CG PHE A 27 -4.315 -3.314 2.322 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.373 -2.096 1.661 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.071 -3.829 2.652 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.218 -1.406 1.346 1.00 0.00 C ATOM 402 CE2 PHE A 27 -1.912 -3.143 2.341 1.00 0.00 C ATOM 403 CZ PHE A 27 -1.986 -1.930 1.686 1.00 0.00 C ATOM 0 H PHE A 27 -7.410 -5.360 3.451 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.641 -3.693 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.309 -5.139 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.259 -4.000 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.333 -1.682 1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.006 -4.780 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.279 -0.457 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.951 -3.555 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.083 -1.392 1.440 1.00 0.00 H new ATOM 413 N LYS A 28 -7.865 -1.958 3.037 1.00 0.00 N ATOM 414 CA LYS A 28 -8.443 -0.608 2.873 1.00 0.00 C ATOM 415 C LYS A 28 -9.010 -0.099 4.198 1.00 0.00 C ATOM 416 O LYS A 28 -8.869 1.069 4.544 1.00 0.00 O ATOM 417 CB LYS A 28 -9.584 -0.601 1.827 1.00 0.00 C ATOM 418 CG LYS A 28 -9.215 -1.136 0.452 1.00 0.00 C ATOM 419 CD LYS A 28 -10.408 -1.099 -0.500 1.00 0.00 C ATOM 420 CE LYS A 28 -10.150 -1.938 -1.742 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.209 -1.792 -2.768 1.00 0.00 N ATOM 0 H LYS A 28 -8.323 -2.679 2.479 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.636 0.041 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.414 -1.191 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.944 0.422 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.398 -0.545 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.853 -2.160 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.297 -1.468 0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.612 -0.069 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.191 -1.652 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.071 -2.987 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.349 -2.701 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.098 -1.504 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.925 -1.069 -3.460 1.00 0.00 H new ATOM 435 N SER A 29 -9.603 -1.000 4.948 1.00 0.00 N ATOM 436 CA SER A 29 -10.271 -0.656 6.184 1.00 0.00 C ATOM 437 C SER A 29 -9.243 -0.330 7.270 1.00 0.00 C ATOM 438 O SER A 29 -9.397 0.629 8.025 1.00 0.00 O ATOM 439 CB SER A 29 -11.150 -1.832 6.631 1.00 0.00 C ATOM 440 OG SER A 29 -12.094 -1.444 7.619 1.00 0.00 O ATOM 0 H SER A 29 -9.636 -1.993 4.719 1.00 0.00 H new ATOM 0 HA SER A 29 -10.894 0.223 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.675 -2.241 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.518 -2.628 7.026 1.00 0.00 H new ATOM 0 HG SER A 29 -12.636 -2.219 7.876 1.00 0.00 H new ATOM 446 N LEU A 30 -8.187 -1.110 7.303 1.00 0.00 N ATOM 447 CA LEU A 30 -7.137 -0.989 8.301 1.00 0.00 C ATOM 448 C LEU A 30 -6.345 0.292 8.143 1.00 0.00 C ATOM 449 O LEU A 30 -5.906 0.890 9.134 1.00 0.00 O ATOM 450 CB LEU A 30 -6.230 -2.199 8.217 1.00 0.00 C ATOM 451 CG LEU A 30 -6.896 -3.523 8.578 1.00 0.00 C ATOM 452 CD1 LEU A 30 -6.040 -4.671 8.147 1.00 0.00 C ATOM 453 CD2 LEU A 30 -7.164 -3.602 10.068 1.00 0.00 C ATOM 0 H LEU A 30 -8.026 -1.859 6.629 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.602 -0.947 9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.836 -2.271 7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.378 -2.044 8.879 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.850 -3.578 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.529 -5.609 8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.893 -4.630 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.073 -4.612 8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.639 -4.555 10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.223 -3.523 10.612 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.823 -2.786 10.363 1.00 0.00 H new ATOM 465 N LEU A 31 -6.184 0.741 6.920 1.00 0.00 N ATOM 466 CA LEU A 31 -5.453 1.969 6.686 1.00 0.00 C ATOM 467 C LEU A 31 -6.369 3.160 6.931 1.00 0.00 C ATOM 468 O LEU A 31 -5.928 4.280 7.072 1.00 0.00 O ATOM 469 CB LEU A 31 -4.801 1.967 5.272 1.00 0.00 C ATOM 470 CG LEU A 31 -5.683 2.225 4.041 1.00 0.00 C ATOM 471 CD1 LEU A 31 -5.755 3.706 3.743 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.154 1.469 2.835 1.00 0.00 C ATOM 0 H LEU A 31 -6.543 0.284 6.082 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.625 2.050 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.011 2.718 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.319 0.999 5.134 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.688 1.865 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.384 3.871 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.180 4.229 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.753 4.087 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.793 1.665 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.138 1.798 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.151 0.400 3.048 1.00 0.00 H new ATOM 484 N TRP A 32 -7.649 2.890 7.016 1.00 0.00 N ATOM 485 CA TRP A 32 -8.599 3.922 7.298 1.00 0.00 C ATOM 486 C TRP A 32 -8.852 3.970 8.800 1.00 0.00 C ATOM 487 O TRP A 32 -9.519 4.866 9.309 1.00 0.00 O ATOM 488 CB TRP A 32 -9.904 3.628 6.586 1.00 0.00 C ATOM 489 CG TRP A 32 -10.459 4.821 5.917 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.519 5.580 6.294 1.00 0.00 C ATOM 491 CD2 TRP A 32 -9.938 5.403 4.746 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.712 6.591 5.380 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.739 6.504 4.420 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.864 5.078 3.942 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.496 7.290 3.299 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.611 5.855 2.827 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.427 6.951 2.514 1.00 0.00 C ATOM 0 H TRP A 32 -8.051 1.961 6.893 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.206 4.878 6.953 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.743 2.842 5.848 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.629 3.247 7.305 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.120 5.416 7.177 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.456 7.289 5.412 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.234 4.234 4.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.125 8.134 3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.774 5.614 2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.208 7.540 1.636 1.00 0.00 H new ATOM 508 N ALA A 33 -8.335 2.969 9.495 1.00 0.00 N ATOM 509 CA ALA A 33 -8.535 2.828 10.923 1.00 0.00 C ATOM 510 C ALA A 33 -7.545 3.669 11.698 1.00 0.00 C ATOM 511 O ALA A 33 -7.847 4.143 12.798 1.00 0.00 O ATOM 512 CB ALA A 33 -8.436 1.367 11.335 1.00 0.00 C ATOM 0 H ALA A 33 -7.764 2.232 9.081 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.537 3.187 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.589 1.281 12.411 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.199 0.789 10.813 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.449 0.982 11.077 1.00 0.00 H new ATOM 518 N PHE A 34 -6.362 3.858 11.145 1.00 0.00 N ATOM 519 CA PHE A 34 -5.379 4.664 11.802 1.00 0.00 C ATOM 520 C PHE A 34 -5.646 6.133 11.416 1.00 0.00 C ATOM 521 O PHE A 34 -6.185 6.387 10.328 1.00 0.00 O ATOM 522 CB PHE A 34 -3.929 4.195 11.443 1.00 0.00 C ATOM 523 CG PHE A 34 -3.376 4.643 10.120 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.789 5.895 9.988 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.418 3.814 9.027 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.276 6.307 8.788 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.902 4.223 7.818 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.333 5.469 7.703 1.00 0.00 C ATOM 0 H PHE A 34 -6.070 3.464 10.251 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.455 4.561 12.884 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.256 4.543 12.227 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.910 3.105 11.467 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.737 6.552 10.844 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.860 2.832 9.116 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.829 7.286 8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.944 3.566 6.962 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.929 5.790 6.754 1.00 0.00 H new ATOM 672 N THR A 43 -7.728 11.335 0.323 1.00 0.00 N ATOM 673 CA THR A 43 -7.565 9.994 -0.281 1.00 0.00 C ATOM 674 C THR A 43 -8.889 9.410 -0.839 1.00 0.00 C ATOM 675 O THR A 43 -9.671 8.826 -0.093 1.00 0.00 O ATOM 676 CB THR A 43 -6.884 9.026 0.712 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.678 9.656 1.201 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.507 7.714 0.028 1.00 0.00 C ATOM 0 HA THR A 43 -6.911 10.115 -1.145 1.00 0.00 H new ATOM 0 HB THR A 43 -7.576 8.807 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.765 10.629 1.129 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.029 7.051 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.405 7.237 -0.364 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.817 7.916 -0.791 1.00 0.00 H new ATOM 686 N PRO A 44 -9.143 9.565 -2.154 1.00 0.00 N ATOM 687 CA PRO A 44 -10.435 9.201 -2.773 1.00 0.00 C ATOM 688 C PRO A 44 -10.837 7.730 -2.554 1.00 0.00 C ATOM 689 O PRO A 44 -10.314 6.827 -3.210 1.00 0.00 O ATOM 690 CB PRO A 44 -10.209 9.501 -4.270 1.00 0.00 C ATOM 691 CG PRO A 44 -8.721 9.465 -4.427 1.00 0.00 C ATOM 692 CD PRO A 44 -8.183 10.061 -3.170 1.00 0.00 C ATOM 0 HA PRO A 44 -11.259 9.759 -2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.695 8.759 -4.903 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.616 10.473 -4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.364 8.444 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.403 10.034 -5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.165 9.729 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.161 11.150 -3.212 1.00 0.00 H new ATOM 700 N TRP A 45 -11.758 7.506 -1.617 1.00 0.00 N ATOM 701 CA TRP A 45 -12.226 6.168 -1.276 1.00 0.00 C ATOM 702 C TRP A 45 -12.974 5.550 -2.448 1.00 0.00 C ATOM 703 O TRP A 45 -12.922 4.350 -2.653 1.00 0.00 O ATOM 704 CB TRP A 45 -13.114 6.196 -0.008 1.00 0.00 C ATOM 705 CG TRP A 45 -13.689 4.853 0.390 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.812 4.268 -0.114 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.174 3.935 1.372 1.00 0.00 C ATOM 708 NE1 TRP A 45 -15.030 3.058 0.490 1.00 0.00 N ATOM 709 CE2 TRP A 45 -14.038 2.826 1.399 1.00 0.00 C ATOM 710 CE3 TRP A 45 -12.067 3.940 2.220 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.832 1.739 2.245 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.866 2.859 3.059 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.741 1.774 3.064 1.00 0.00 C ATOM 0 H TRP A 45 -12.199 8.249 -1.074 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.356 5.549 -1.059 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.525 6.585 0.823 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.935 6.894 -0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.440 4.697 -0.880 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.809 2.430 0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.379 4.773 2.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.511 0.899 2.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.014 2.855 3.723 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.552 0.945 3.729 1.00 0.00 H new ATOM 724 N SER A 46 -13.646 6.371 -3.224 1.00 0.00 N ATOM 725 CA SER A 46 -14.353 5.891 -4.395 1.00 0.00 C ATOM 726 C SER A 46 -13.349 5.218 -5.351 1.00 0.00 C ATOM 727 O SER A 46 -13.615 4.154 -5.917 1.00 0.00 O ATOM 728 CB SER A 46 -15.042 7.059 -5.059 1.00 0.00 C ATOM 729 OG SER A 46 -15.752 7.832 -4.094 1.00 0.00 O ATOM 0 H SER A 46 -13.719 7.376 -3.067 1.00 0.00 H new ATOM 0 HA SER A 46 -15.106 5.154 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.306 7.684 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.731 6.697 -5.822 1.00 0.00 H new ATOM 0 HG SER A 46 -16.192 8.586 -4.539 1.00 0.00 H new ATOM 735 N GLU A 47 -12.174 5.821 -5.452 1.00 0.00 N ATOM 736 CA GLU A 47 -11.090 5.264 -6.207 1.00 0.00 C ATOM 737 C GLU A 47 -10.568 4.018 -5.553 1.00 0.00 C ATOM 738 O GLU A 47 -10.394 3.018 -6.215 1.00 0.00 O ATOM 739 CB GLU A 47 -9.970 6.275 -6.382 1.00 0.00 C ATOM 740 CG GLU A 47 -10.046 7.042 -7.673 1.00 0.00 C ATOM 741 CD GLU A 47 -9.717 6.156 -8.852 1.00 0.00 C ATOM 742 OE1 GLU A 47 -10.620 5.486 -9.390 1.00 0.00 O ATOM 743 OE2 GLU A 47 -8.530 6.113 -9.264 1.00 0.00 O ATOM 0 H GLU A 47 -11.957 6.713 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.473 5.003 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.994 6.978 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.013 5.756 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.046 7.458 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.353 7.883 -7.641 1.00 0.00 H new ATOM 750 N VAL A 48 -10.361 4.065 -4.230 1.00 0.00 N ATOM 751 CA VAL A 48 -9.813 2.916 -3.510 1.00 0.00 C ATOM 752 C VAL A 48 -10.754 1.718 -3.635 1.00 0.00 C ATOM 753 O VAL A 48 -10.314 0.583 -3.659 1.00 0.00 O ATOM 754 CB VAL A 48 -9.478 3.190 -1.988 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.793 4.512 -1.770 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.654 2.996 -1.045 1.00 0.00 C ATOM 0 H VAL A 48 -10.563 4.877 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.856 2.701 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.763 2.411 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.588 4.645 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.855 4.532 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.439 5.318 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.339 3.204 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.459 3.677 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.009 1.968 -1.113 1.00 0.00 H new ATOM 766 N GLU A 49 -12.050 1.989 -3.742 1.00 0.00 N ATOM 767 CA GLU A 49 -13.021 0.967 -3.901 1.00 0.00 C ATOM 768 C GLU A 49 -13.035 0.371 -5.228 1.00 0.00 C ATOM 769 O GLU A 49 -13.109 -0.853 -5.356 1.00 0.00 O ATOM 770 CB GLU A 49 -14.376 1.413 -3.524 1.00 0.00 C ATOM 771 CG GLU A 49 -14.693 0.885 -2.197 1.00 0.00 C ATOM 772 CD GLU A 49 -14.727 -0.632 -2.151 1.00 0.00 C ATOM 773 OE1 GLU A 49 -13.668 -1.253 -1.917 1.00 0.00 O ATOM 774 OE2 GLU A 49 -15.807 -1.229 -2.360 1.00 0.00 O ATOM 0 H GLU A 49 -12.436 2.933 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.711 0.186 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.427 2.502 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.106 1.063 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.954 1.248 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.661 1.274 -1.880 1.00 0.00 H new ATOM 781 N GLU A 50 -12.952 1.188 -6.226 1.00 0.00 N ATOM 782 CA GLU A 50 -12.981 0.669 -7.546 1.00 0.00 C ATOM 783 C GLU A 50 -11.621 0.037 -7.913 1.00 0.00 C ATOM 784 O GLU A 50 -11.491 -0.701 -8.912 1.00 0.00 O ATOM 785 CB GLU A 50 -13.397 1.707 -8.585 1.00 0.00 C ATOM 786 CG GLU A 50 -14.818 2.229 -8.473 1.00 0.00 C ATOM 787 CD GLU A 50 -15.120 3.255 -9.548 1.00 0.00 C ATOM 788 OE1 GLU A 50 -15.445 2.868 -10.703 1.00 0.00 O ATOM 789 OE2 GLU A 50 -15.029 4.464 -9.279 1.00 0.00 O ATOM 0 H GLU A 50 -12.865 2.202 -6.152 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.747 -0.106 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.714 2.554 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.268 1.272 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.519 1.398 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.966 2.676 -7.490 1.00 0.00 H new ATOM 796 N ALA A 51 -10.633 0.334 -7.115 1.00 0.00 N ATOM 797 CA ALA A 51 -9.303 -0.147 -7.305 1.00 0.00 C ATOM 798 C ALA A 51 -9.075 -1.459 -6.635 1.00 0.00 C ATOM 799 O ALA A 51 -9.545 -1.715 -5.516 1.00 0.00 O ATOM 800 CB ALA A 51 -8.317 0.840 -6.774 1.00 0.00 C ATOM 0 H ALA A 51 -10.739 0.932 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.167 -0.282 -8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.306 0.461 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.432 1.788 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.492 0.992 -5.709 1.00 0.00 H new ATOM 806 N ASP A 52 -8.351 -2.274 -7.317 1.00 0.00 N ATOM 807 CA ASP A 52 -7.918 -3.529 -6.820 1.00 0.00 C ATOM 808 C ASP A 52 -6.464 -3.670 -7.148 1.00 0.00 C ATOM 809 O ASP A 52 -6.007 -3.099 -8.153 1.00 0.00 O ATOM 810 CB ASP A 52 -8.715 -4.703 -7.416 1.00 0.00 C ATOM 811 CG ASP A 52 -8.566 -4.854 -8.920 1.00 0.00 C ATOM 812 OD1 ASP A 52 -7.588 -5.482 -9.383 1.00 0.00 O ATOM 813 OD2 ASP A 52 -9.428 -4.334 -9.669 1.00 0.00 O ATOM 0 H ASP A 52 -8.034 -2.078 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.084 -3.561 -5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.394 -5.627 -6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.770 -4.570 -7.178 1.00 0.00 H new ATOM 818 N GLY A 53 -5.741 -4.332 -6.258 1.00 0.00 N ATOM 819 CA GLY A 53 -4.334 -4.641 -6.434 1.00 0.00 C ATOM 820 C GLY A 53 -3.485 -3.472 -6.900 1.00 0.00 C ATOM 821 O GLY A 53 -3.224 -2.529 -6.140 1.00 0.00 O ATOM 0 H GLY A 53 -6.125 -4.675 -5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.935 -5.009 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.241 -5.452 -7.157 1.00 0.00 H new ATOM 825 N LYS A 54 -3.119 -3.514 -8.177 1.00 0.00 N ATOM 826 CA LYS A 54 -2.255 -2.525 -8.807 1.00 0.00 C ATOM 827 C LYS A 54 -2.853 -1.148 -8.690 1.00 0.00 C ATOM 828 O LYS A 54 -2.165 -0.182 -8.381 1.00 0.00 O ATOM 829 CB LYS A 54 -2.073 -2.837 -10.298 1.00 0.00 C ATOM 830 CG LYS A 54 -0.976 -2.005 -10.968 1.00 0.00 C ATOM 831 CD LYS A 54 -1.444 -1.161 -12.160 1.00 0.00 C ATOM 832 CE LYS A 54 -2.265 0.051 -11.739 1.00 0.00 C ATOM 833 NZ LYS A 54 -2.489 0.990 -12.856 1.00 0.00 N ATOM 0 H LYS A 54 -3.421 -4.251 -8.814 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.292 -2.560 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.837 -3.895 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.017 -2.663 -10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.536 -1.342 -10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.185 -2.676 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.575 -0.826 -12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.039 -1.783 -12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.227 -0.282 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.754 0.570 -10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.901 1.872 -12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.583 1.198 -13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.142 0.562 -13.544 1.00 0.00 H new ATOM 847 N LYS A 55 -4.145 -1.060 -8.920 1.00 0.00 N ATOM 848 CA LYS A 55 -4.815 0.212 -8.918 1.00 0.00 C ATOM 849 C LYS A 55 -4.798 0.860 -7.559 1.00 0.00 C ATOM 850 O LYS A 55 -4.749 2.074 -7.463 1.00 0.00 O ATOM 851 CB LYS A 55 -6.236 0.109 -9.449 1.00 0.00 C ATOM 852 CG LYS A 55 -6.409 0.521 -10.895 1.00 0.00 C ATOM 853 CD LYS A 55 -6.178 2.027 -11.112 1.00 0.00 C ATOM 854 CE LYS A 55 -7.110 2.899 -10.252 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.993 4.334 -10.591 1.00 0.00 N ATOM 0 H LYS A 55 -4.749 -1.859 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.253 0.854 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.576 -0.920 -9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.885 0.728 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.713 -0.043 -11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.414 0.260 -11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.141 2.269 -10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.331 2.266 -12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.141 2.576 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.872 2.755 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.612 4.890 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.007 4.641 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.278 4.481 -11.580 1.00 0.00 H new ATOM 869 N LEU A 56 -4.803 0.055 -6.516 1.00 0.00 N ATOM 870 CA LEU A 56 -4.774 0.587 -5.185 1.00 0.00 C ATOM 871 C LEU A 56 -3.400 1.195 -4.912 1.00 0.00 C ATOM 872 O LEU A 56 -3.297 2.269 -4.329 1.00 0.00 O ATOM 873 CB LEU A 56 -5.123 -0.477 -4.144 1.00 0.00 C ATOM 874 CG LEU A 56 -5.276 0.037 -2.705 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.434 1.021 -2.593 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.458 -1.106 -1.742 1.00 0.00 C ATOM 0 H LEU A 56 -4.827 -0.963 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.532 1.366 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.054 -0.960 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.348 -1.243 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.358 0.563 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.518 1.368 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.253 1.872 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.361 0.527 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.564 -0.716 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.353 -1.668 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.589 -1.763 -1.788 1.00 0.00 H new ATOM 888 N ALA A 57 -2.352 0.526 -5.403 1.00 0.00 N ATOM 889 CA ALA A 57 -0.962 1.011 -5.263 1.00 0.00 C ATOM 890 C ALA A 57 -0.810 2.390 -5.900 1.00 0.00 C ATOM 891 O ALA A 57 -0.121 3.270 -5.375 1.00 0.00 O ATOM 892 CB ALA A 57 0.005 0.038 -5.921 1.00 0.00 C ATOM 0 H ALA A 57 -2.434 -0.358 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.732 1.083 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.024 0.407 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.081 -0.939 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.235 -0.053 -6.980 1.00 0.00 H new ATOM 898 N GLU A 58 -1.510 2.570 -7.002 1.00 0.00 N ATOM 899 CA GLU A 58 -1.512 3.806 -7.772 1.00 0.00 C ATOM 900 C GLU A 58 -2.126 4.952 -6.943 1.00 0.00 C ATOM 901 O GLU A 58 -1.742 6.116 -7.070 1.00 0.00 O ATOM 902 CB GLU A 58 -2.321 3.563 -9.050 1.00 0.00 C ATOM 903 CG GLU A 58 -2.351 4.699 -10.047 1.00 0.00 C ATOM 904 CD GLU A 58 -3.300 4.402 -11.182 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.967 3.562 -12.056 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.418 4.964 -11.196 1.00 0.00 O ATOM 0 H GLU A 58 -2.109 1.846 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.493 4.097 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.918 2.681 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.347 3.329 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.655 5.618 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.349 4.867 -10.441 1.00 0.00 H new ATOM 913 N ILE A 59 -3.049 4.598 -6.082 1.00 0.00 N ATOM 914 CA ILE A 59 -3.718 5.550 -5.223 1.00 0.00 C ATOM 915 C ILE A 59 -2.856 5.827 -3.992 1.00 0.00 C ATOM 916 O ILE A 59 -2.780 6.962 -3.517 1.00 0.00 O ATOM 917 CB ILE A 59 -5.106 5.016 -4.830 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.901 4.791 -6.107 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.836 6.013 -3.922 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.048 3.864 -5.957 1.00 0.00 C ATOM 0 H ILE A 59 -3.361 3.635 -5.955 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.860 6.490 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.000 4.083 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.270 5.752 -6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.232 4.401 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.815 5.614 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.252 6.174 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.960 6.960 -4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.559 3.760 -6.914 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.687 2.889 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.742 4.261 -5.216 1.00 0.00 H new ATOM 932 N LEU A 60 -2.170 4.799 -3.505 1.00 0.00 N ATOM 933 CA LEU A 60 -1.226 4.979 -2.404 1.00 0.00 C ATOM 934 C LEU A 60 -0.119 5.937 -2.809 1.00 0.00 C ATOM 935 O LEU A 60 0.221 6.846 -2.068 1.00 0.00 O ATOM 936 CB LEU A 60 -0.613 3.645 -1.900 1.00 0.00 C ATOM 937 CG LEU A 60 -1.369 2.859 -0.800 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.514 3.685 0.470 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.721 2.365 -1.272 1.00 0.00 C ATOM 0 H LEU A 60 -2.247 3.842 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.796 5.399 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.498 2.986 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.388 3.859 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.763 1.982 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.049 3.105 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.526 3.947 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.071 4.596 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.211 1.820 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.338 3.215 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.588 1.703 -2.128 1.00 0.00 H new ATOM 951 N VAL A 61 0.388 5.788 -4.023 1.00 0.00 N ATOM 952 CA VAL A 61 1.482 6.632 -4.470 1.00 0.00 C ATOM 953 C VAL A 61 0.951 7.996 -4.970 1.00 0.00 C ATOM 954 O VAL A 61 1.714 8.895 -5.323 1.00 0.00 O ATOM 955 CB VAL A 61 2.356 5.916 -5.548 1.00 0.00 C ATOM 956 CG1 VAL A 61 1.660 5.829 -6.899 1.00 0.00 C ATOM 957 CG2 VAL A 61 3.742 6.529 -5.659 1.00 0.00 C ATOM 0 H VAL A 61 0.065 5.102 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 61 2.132 6.823 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 61 2.490 4.890 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.311 5.323 -7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.731 5.269 -6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.439 6.834 -7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.314 5.999 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.654 7.579 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.253 6.449 -4.700 1.00 0.00 H new ATOM 967 N ASN A 62 -0.355 8.145 -4.950 1.00 0.00 N ATOM 968 CA ASN A 62 -0.995 9.383 -5.350 1.00 0.00 C ATOM 969 C ASN A 62 -0.862 10.387 -4.213 1.00 0.00 C ATOM 970 O ASN A 62 -0.463 11.528 -4.425 1.00 0.00 O ATOM 971 CB ASN A 62 -2.490 9.123 -5.697 1.00 0.00 C ATOM 972 CG ASN A 62 -3.295 10.335 -6.173 1.00 0.00 C ATOM 973 OD1 ASN A 62 -3.052 11.480 -5.806 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.283 10.072 -6.978 1.00 0.00 N ATOM 0 H ASN A 62 -1.004 7.415 -4.657 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.514 9.786 -6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.534 8.357 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.980 8.712 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.877 10.827 -7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.463 9.111 -7.268 1.00 0.00 H new ATOM 981 N THR A 63 -1.131 9.933 -3.002 1.00 0.00 N ATOM 982 CA THR A 63 -1.124 10.807 -1.845 1.00 0.00 C ATOM 983 C THR A 63 0.113 10.619 -0.965 1.00 0.00 C ATOM 984 O THR A 63 0.644 11.583 -0.403 1.00 0.00 O ATOM 985 CB THR A 63 -2.391 10.569 -0.988 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.565 9.152 -0.777 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.630 11.141 -1.664 1.00 0.00 C ATOM 0 H THR A 63 -1.358 8.960 -2.795 1.00 0.00 H new ATOM 0 HA THR A 63 -1.107 11.827 -2.229 1.00 0.00 H new ATOM 0 HB THR A 63 -2.261 11.077 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.366 8.998 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.503 10.958 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.504 12.214 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.771 10.661 -2.632 1.00 0.00 H new ATOM 995 N SER A 64 0.590 9.411 -0.879 1.00 0.00 N ATOM 996 CA SER A 64 1.617 9.088 0.063 1.00 0.00 C ATOM 997 C SER A 64 3.008 9.082 -0.558 1.00 0.00 C ATOM 998 O SER A 64 3.201 8.629 -1.688 1.00 0.00 O ATOM 999 CB SER A 64 1.312 7.733 0.640 1.00 0.00 C ATOM 1000 OG SER A 64 -0.021 7.674 1.093 1.00 0.00 O ATOM 0 H SER A 64 0.280 8.629 -1.456 1.00 0.00 H new ATOM 0 HA SER A 64 1.626 9.857 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.479 6.965 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.992 7.522 1.466 1.00 0.00 H new ATOM 0 HG SER A 64 -0.051 7.224 1.963 1.00 0.00 H new ATOM 1006 N SER A 65 3.963 9.594 0.189 1.00 0.00 N ATOM 1007 CA SER A 65 5.350 9.566 -0.194 1.00 0.00 C ATOM 1008 C SER A 65 5.867 8.141 0.022 1.00 0.00 C ATOM 1009 O SER A 65 5.394 7.446 0.930 1.00 0.00 O ATOM 1010 CB SER A 65 6.140 10.571 0.677 1.00 0.00 C ATOM 1011 OG SER A 65 7.537 10.539 0.407 1.00 0.00 O ATOM 0 H SER A 65 3.792 10.045 1.088 1.00 0.00 H new ATOM 0 HA SER A 65 5.474 9.848 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.761 11.578 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.971 10.347 1.730 1.00 0.00 H new ATOM 0 HG SER A 65 7.996 11.190 0.978 1.00 0.00 H new ATOM 1017 N GLU A 66 6.826 7.710 -0.780 1.00 0.00 N ATOM 1018 CA GLU A 66 7.378 6.356 -0.686 1.00 0.00 C ATOM 1019 C GLU A 66 7.979 6.106 0.699 1.00 0.00 C ATOM 1020 O GLU A 66 7.869 5.013 1.250 1.00 0.00 O ATOM 1021 CB GLU A 66 8.425 6.117 -1.776 1.00 0.00 C ATOM 1022 CG GLU A 66 9.645 7.019 -1.685 1.00 0.00 C ATOM 1023 CD GLU A 66 10.680 6.749 -2.746 1.00 0.00 C ATOM 1024 OE1 GLU A 66 11.217 5.624 -2.812 1.00 0.00 O ATOM 1025 OE2 GLU A 66 11.027 7.681 -3.504 1.00 0.00 O ATOM 0 H GLU A 66 7.247 8.281 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 66 6.561 5.650 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.752 5.078 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.956 6.258 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.324 8.058 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.103 6.897 -0.704 1.00 0.00 H new ATOM 1032 N ASN A 67 8.531 7.159 1.285 1.00 0.00 N ATOM 1033 CA ASN A 67 9.162 7.087 2.600 1.00 0.00 C ATOM 1034 C ASN A 67 8.103 6.920 3.701 1.00 0.00 C ATOM 1035 O ASN A 67 8.394 6.541 4.831 1.00 0.00 O ATOM 1036 CB ASN A 67 10.046 8.329 2.825 1.00 0.00 C ATOM 1037 CG ASN A 67 10.750 8.340 4.167 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.817 7.739 4.324 1.00 0.00 O ATOM 1039 ND2 ASN A 67 10.198 9.045 5.123 1.00 0.00 N ATOM 0 H ASN A 67 8.555 8.088 0.864 1.00 0.00 H new ATOM 0 HA ASN A 67 9.806 6.209 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.793 8.381 2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.429 9.224 2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.651 9.111 6.035 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.315 9.528 4.956 1.00 0.00 H new ATOM 1046 N TRP A 68 6.878 7.153 3.339 1.00 0.00 N ATOM 1047 CA TRP A 68 5.771 6.983 4.235 1.00 0.00 C ATOM 1048 C TRP A 68 5.172 5.595 3.983 1.00 0.00 C ATOM 1049 O TRP A 68 4.917 4.824 4.916 1.00 0.00 O ATOM 1050 CB TRP A 68 4.749 8.079 3.950 1.00 0.00 C ATOM 1051 CG TRP A 68 3.583 8.150 4.878 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.504 8.876 6.020 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.318 7.499 4.728 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.260 8.741 6.575 1.00 0.00 N ATOM 1055 CE2 TRP A 68 1.515 7.896 5.806 1.00 0.00 C ATOM 1056 CE3 TRP A 68 1.786 6.628 3.785 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.206 7.453 5.962 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.494 6.189 3.937 1.00 0.00 C ATOM 1059 CH2 TRP A 68 -0.284 6.600 5.009 1.00 0.00 C ATOM 0 H TRP A 68 6.615 7.469 2.406 1.00 0.00 H new ATOM 0 HA TRP A 68 6.080 7.056 5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.263 9.040 3.971 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.372 7.941 2.937 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.305 9.473 6.431 1.00 0.00 H new ATOM 0 HE1 TRP A 68 1.941 9.200 7.428 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.380 6.301 2.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.399 7.768 6.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.076 5.511 3.208 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.298 6.240 5.094 1.00 0.00 H new ATOM 1070 N ILE A 69 5.012 5.261 2.697 1.00 0.00 N ATOM 1071 CA ILE A 69 4.423 3.988 2.277 1.00 0.00 C ATOM 1072 C ILE A 69 5.231 2.793 2.809 1.00 0.00 C ATOM 1073 O ILE A 69 4.648 1.771 3.196 1.00 0.00 O ATOM 1074 CB ILE A 69 4.288 3.872 0.730 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.534 5.071 0.159 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.536 2.600 0.377 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.437 5.083 -1.358 1.00 0.00 C ATOM 0 H ILE A 69 5.287 5.865 1.922 1.00 0.00 H new ATOM 0 HA ILE A 69 3.421 3.967 2.706 1.00 0.00 H new ATOM 0 HB ILE A 69 5.289 3.847 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.527 5.085 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.027 5.986 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.443 2.521 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.082 1.737 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.543 2.628 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.887 5.967 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.439 5.103 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.915 4.188 -1.696 1.00 0.00 H new ATOM 1089 N ARG A 70 6.568 2.958 2.881 1.00 0.00 N ATOM 1090 CA ARG A 70 7.480 1.904 3.395 1.00 0.00 C ATOM 1091 C ARG A 70 7.142 1.483 4.822 1.00 0.00 C ATOM 1092 O ARG A 70 7.551 0.429 5.276 1.00 0.00 O ATOM 1093 CB ARG A 70 8.962 2.323 3.322 1.00 0.00 C ATOM 1094 CG ARG A 70 9.295 3.607 4.063 1.00 0.00 C ATOM 1095 CD ARG A 70 10.798 3.848 4.128 1.00 0.00 C ATOM 1096 NE ARG A 70 11.455 2.898 5.032 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.734 2.482 4.965 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.539 2.897 3.991 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.201 1.663 5.894 1.00 0.00 N ATOM 0 H ARG A 70 7.045 3.811 2.590 1.00 0.00 H new ATOM 0 HA ARG A 70 7.327 1.048 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.574 1.517 3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.241 2.441 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.813 4.449 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.890 3.559 5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.226 3.757 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.990 4.866 4.466 1.00 0.00 H new ATOM 0 HE ARG A 70 10.886 2.514 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.190 3.540 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.505 2.572 3.955 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.593 1.352 6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.168 1.342 5.852 1.00 0.00 H new ATOM 1113 N ASN A 71 6.438 2.318 5.535 1.00 0.00 N ATOM 1114 CA ASN A 71 5.999 1.957 6.861 1.00 0.00 C ATOM 1115 C ASN A 71 4.535 1.578 6.803 1.00 0.00 C ATOM 1116 O ASN A 71 4.130 0.548 7.322 1.00 0.00 O ATOM 1117 CB ASN A 71 6.231 3.107 7.855 1.00 0.00 C ATOM 1118 CG ASN A 71 5.805 2.761 9.282 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.582 2.196 10.056 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.608 3.137 9.659 1.00 0.00 N ATOM 0 H ASN A 71 6.156 3.248 5.226 1.00 0.00 H new ATOM 0 HA ASN A 71 6.582 1.106 7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.288 3.374 7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.679 3.986 7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.297 2.965 10.615 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.987 3.602 8.997 1.00 0.00 H new ATOM 1127 N ALA A 72 3.769 2.392 6.088 1.00 0.00 N ATOM 1128 CA ALA A 72 2.324 2.240 5.951 1.00 0.00 C ATOM 1129 C ALA A 72 1.887 0.856 5.487 1.00 0.00 C ATOM 1130 O ALA A 72 1.207 0.143 6.223 1.00 0.00 O ATOM 1131 CB ALA A 72 1.780 3.278 5.008 1.00 0.00 C ATOM 0 H ALA A 72 4.141 3.192 5.577 1.00 0.00 H new ATOM 0 HA ALA A 72 1.916 2.376 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.701 3.154 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.999 4.273 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.245 3.160 4.029 1.00 0.00 H new ATOM 1137 N THR A 73 2.310 0.455 4.289 1.00 0.00 N ATOM 1138 CA THR A 73 1.840 -0.798 3.720 1.00 0.00 C ATOM 1139 C THR A 73 2.356 -1.981 4.521 1.00 0.00 C ATOM 1140 O THR A 73 1.644 -2.969 4.694 1.00 0.00 O ATOM 1141 CB THR A 73 2.180 -0.963 2.192 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.555 -2.141 1.668 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.686 -1.053 1.944 1.00 0.00 C ATOM 0 H THR A 73 2.967 0.973 3.705 1.00 0.00 H new ATOM 0 HA THR A 73 0.752 -0.771 3.785 1.00 0.00 H new ATOM 0 HB THR A 73 1.800 -0.076 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.599 -2.127 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.873 -1.166 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.169 -0.144 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.092 -1.913 2.476 1.00 0.00 H new ATOM 1151 N VAL A 74 3.564 -1.847 5.044 1.00 0.00 N ATOM 1152 CA VAL A 74 4.183 -2.880 5.831 1.00 0.00 C ATOM 1153 C VAL A 74 3.385 -3.092 7.111 1.00 0.00 C ATOM 1154 O VAL A 74 3.031 -4.223 7.447 1.00 0.00 O ATOM 1155 CB VAL A 74 5.668 -2.534 6.128 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.284 -3.524 7.101 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.464 -2.519 4.822 1.00 0.00 C ATOM 0 H VAL A 74 4.138 -1.012 4.929 1.00 0.00 H new ATOM 0 HA VAL A 74 4.181 -3.813 5.267 1.00 0.00 H new ATOM 0 HB VAL A 74 5.702 -1.547 6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.323 -3.253 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.730 -3.504 8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.241 -4.527 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.505 -2.276 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.409 -3.500 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.046 -1.770 4.150 1.00 0.00 H new ATOM 1167 N ASN A 75 3.053 -1.994 7.778 1.00 0.00 N ATOM 1168 CA ASN A 75 2.226 -2.014 8.969 1.00 0.00 C ATOM 1169 C ASN A 75 0.885 -2.657 8.700 1.00 0.00 C ATOM 1170 O ASN A 75 0.494 -3.530 9.436 1.00 0.00 O ATOM 1171 CB ASN A 75 2.006 -0.601 9.527 1.00 0.00 C ATOM 1172 CG ASN A 75 3.134 -0.071 10.399 1.00 0.00 C ATOM 1173 OD1 ASN A 75 4.295 -0.443 10.253 1.00 0.00 O ATOM 1174 ND2 ASN A 75 2.796 0.822 11.303 1.00 0.00 N ATOM 0 H ASN A 75 3.354 -1.059 7.502 1.00 0.00 H new ATOM 0 HA ASN A 75 2.762 -2.607 9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.860 0.084 8.692 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.084 -0.596 10.109 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.508 1.228 11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.822 1.109 11.397 1.00 0.00 H new ATOM 1181 N ILE A 76 0.200 -2.247 7.627 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.132 -2.804 7.304 1.00 0.00 C ATOM 1183 C ILE A 76 -1.035 -4.318 7.045 1.00 0.00 C ATOM 1184 O ILE A 76 -1.871 -5.095 7.521 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.807 -2.104 6.083 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.821 -0.571 6.245 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.235 -2.616 5.901 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.549 -0.053 7.468 1.00 0.00 C ATOM 0 H ILE A 76 0.534 -1.541 6.971 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.762 -2.616 8.173 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.218 -2.347 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.791 -0.217 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.279 -0.133 5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.693 -2.119 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.216 -3.692 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.815 -2.402 6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.499 1.036 7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.592 -0.368 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.080 -0.453 8.367 1.00 0.00 H new ATOM 1200 N LEU A 77 0.002 -4.730 6.316 1.00 0.00 N ATOM 1201 CA LEU A 77 0.283 -6.152 6.095 1.00 0.00 C ATOM 1202 C LEU A 77 0.456 -6.860 7.429 1.00 0.00 C ATOM 1203 O LEU A 77 -0.144 -7.904 7.677 1.00 0.00 O ATOM 1204 CB LEU A 77 1.545 -6.318 5.240 1.00 0.00 C ATOM 1205 CG LEU A 77 1.364 -6.221 3.727 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.571 -5.571 3.083 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.217 -7.605 3.155 1.00 0.00 C ATOM 0 H LEU A 77 0.665 -4.098 5.866 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.558 -6.599 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.266 -5.560 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.986 -7.288 5.469 1.00 0.00 H new ATOM 0 HG LEU A 77 0.477 -5.620 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.421 -5.512 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.702 -4.567 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.460 -6.166 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.087 -7.540 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.110 -8.188 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.347 -8.091 3.596 1.00 0.00 H new ATOM 1219 N GLU A 78 1.235 -6.251 8.297 1.00 0.00 N ATOM 1220 CA GLU A 78 1.474 -6.764 9.624 1.00 0.00 C ATOM 1221 C GLU A 78 0.198 -6.794 10.465 1.00 0.00 C ATOM 1222 O GLU A 78 -0.006 -7.725 11.226 1.00 0.00 O ATOM 1223 CB GLU A 78 2.598 -5.991 10.310 1.00 0.00 C ATOM 1224 CG GLU A 78 3.962 -6.260 9.701 1.00 0.00 C ATOM 1225 CD GLU A 78 5.084 -5.644 10.480 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.949 -4.510 10.941 1.00 0.00 O ATOM 1227 OE2 GLU A 78 6.155 -6.284 10.621 1.00 0.00 O ATOM 0 H GLU A 78 1.723 -5.378 8.097 1.00 0.00 H new ATOM 0 HA GLU A 78 1.799 -7.800 9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.385 -4.924 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.620 -6.255 11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.119 -7.337 9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.981 -5.875 8.682 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.672 -5.800 10.286 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.968 -5.755 10.969 1.00 0.00 C ATOM 1236 C GLU A 79 -2.813 -6.957 10.554 1.00 0.00 C ATOM 1237 O GLU A 79 -3.533 -7.538 11.366 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.723 -4.468 10.646 1.00 0.00 C ATOM 1239 CG GLU A 79 -2.043 -3.179 11.095 1.00 0.00 C ATOM 1240 CD GLU A 79 -1.821 -3.100 12.588 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.788 -2.826 13.329 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -0.663 -3.258 13.039 1.00 0.00 O ATOM 0 H GLU A 79 -0.501 -5.007 9.668 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.783 -5.783 12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.879 -4.420 9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.708 -4.519 11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.082 -3.089 10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.650 -2.330 10.781 1.00 0.00 H new ATOM 1249 N MET A 80 -2.665 -7.361 9.296 1.00 0.00 N ATOM 1250 CA MET A 80 -3.386 -8.510 8.746 1.00 0.00 C ATOM 1251 C MET A 80 -2.673 -9.813 9.092 1.00 0.00 C ATOM 1252 O MET A 80 -3.125 -10.899 8.707 1.00 0.00 O ATOM 1253 CB MET A 80 -3.514 -8.407 7.219 1.00 0.00 C ATOM 1254 CG MET A 80 -4.331 -7.234 6.723 1.00 0.00 C ATOM 1255 SD MET A 80 -4.512 -7.197 4.925 1.00 0.00 S ATOM 1256 CE MET A 80 -5.399 -8.731 4.644 1.00 0.00 C ATOM 0 H MET A 80 -2.044 -6.904 8.628 1.00 0.00 H new ATOM 0 HA MET A 80 -4.381 -8.507 9.191 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.514 -8.342 6.789 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.962 -9.327 6.844 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.320 -7.270 7.180 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.861 -6.308 7.053 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.877 -8.701 3.665 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.701 -9.567 4.681 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.159 -8.858 5.415 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.546 -9.690 9.803 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.702 -10.821 10.219 1.00 0.00 C ATOM 1268 C ASN A 81 -0.074 -11.492 8.981 1.00 0.00 C ATOM 1269 O ASN A 81 0.257 -12.672 8.945 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.496 -11.794 11.149 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.681 -12.952 11.689 1.00 0.00 C ATOM 1272 OD1 ASN A 81 0.077 -12.807 12.656 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -0.905 -14.104 11.145 1.00 0.00 N ATOM 0 H ASN A 81 -1.187 -8.787 10.112 1.00 0.00 H new ATOM 0 HA ASN A 81 0.131 -10.464 10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.898 -11.227 11.988 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.347 -12.192 10.596 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.449 -14.939 11.512 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.538 -14.177 10.349 1.00 0.00 H new ATOM 1280 N LEU A 82 0.122 -10.687 7.977 1.00 0.00 N ATOM 1281 CA LEU A 82 0.757 -11.108 6.767 1.00 0.00 C ATOM 1282 C LEU A 82 2.253 -10.946 6.941 1.00 0.00 C ATOM 1283 O LEU A 82 2.727 -9.850 7.216 1.00 0.00 O ATOM 1284 CB LEU A 82 0.256 -10.254 5.593 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.222 -10.419 5.217 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.637 -9.386 4.188 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.460 -11.787 4.653 1.00 0.00 C ATOM 0 H LEU A 82 -0.160 -9.707 7.978 1.00 0.00 H new ATOM 0 HA LEU A 82 0.520 -12.150 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.434 -9.205 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.861 -10.488 4.717 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.815 -10.281 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.689 -9.524 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.489 -8.386 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.032 -9.504 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.512 -11.894 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.847 -11.925 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.194 -12.538 5.397 1.00 0.00 H new ATOM 1299 N THR A 83 2.972 -12.023 6.822 1.00 0.00 N ATOM 1300 CA THR A 83 4.407 -12.007 6.974 1.00 0.00 C ATOM 1301 C THR A 83 5.081 -12.304 5.675 1.00 0.00 C ATOM 1302 O THR A 83 5.909 -11.548 5.234 1.00 0.00 O ATOM 1303 CB THR A 83 4.870 -13.006 8.038 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.040 -14.186 8.013 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.870 -12.379 9.402 1.00 0.00 C ATOM 0 H THR A 83 2.584 -12.943 6.616 1.00 0.00 H new ATOM 0 HA THR A 83 4.687 -11.005 7.300 1.00 0.00 H new ATOM 0 HB THR A 83 5.894 -13.300 7.809 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.348 -14.817 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.203 -13.110 10.139 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.545 -11.523 9.409 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.862 -12.047 9.650 1.00 0.00 H new ATOM 1313 N GLU A 84 4.636 -13.356 5.041 1.00 0.00 N ATOM 1314 CA GLU A 84 5.200 -13.880 3.797 1.00 0.00 C ATOM 1315 C GLU A 84 5.481 -12.795 2.746 1.00 0.00 C ATOM 1316 O GLU A 84 6.635 -12.523 2.421 1.00 0.00 O ATOM 1317 CB GLU A 84 4.320 -15.020 3.221 1.00 0.00 C ATOM 1318 CG GLU A 84 2.793 -14.840 3.398 1.00 0.00 C ATOM 1319 CD GLU A 84 2.319 -15.157 4.804 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.385 -16.330 5.216 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.963 -14.218 5.545 1.00 0.00 O ATOM 0 H GLU A 84 3.842 -13.901 5.378 1.00 0.00 H new ATOM 0 HA GLU A 84 6.173 -14.296 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.535 -15.119 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.615 -15.957 3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.523 -13.813 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.272 -15.485 2.691 1.00 0.00 H new ATOM 1328 N LEU A 85 4.445 -12.152 2.265 1.00 0.00 N ATOM 1329 CA LEU A 85 4.617 -11.109 1.271 1.00 0.00 C ATOM 1330 C LEU A 85 5.087 -9.801 1.914 1.00 0.00 C ATOM 1331 O LEU A 85 5.706 -8.976 1.279 1.00 0.00 O ATOM 1332 CB LEU A 85 3.355 -10.886 0.402 1.00 0.00 C ATOM 1333 CG LEU A 85 2.076 -10.345 1.070 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.059 -9.999 0.009 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.461 -11.349 2.040 1.00 0.00 C ATOM 0 H LEU A 85 3.479 -12.327 2.540 1.00 0.00 H new ATOM 0 HA LEU A 85 5.397 -11.457 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.624 -10.198 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.105 -11.838 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 85 2.356 -9.458 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.155 -9.617 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.470 -9.239 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.817 -10.892 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.562 -10.922 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.201 -12.261 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.179 -11.582 2.826 1.00 0.00 H new ATOM 1347 N CYS A 86 4.850 -9.652 3.192 1.00 0.00 N ATOM 1348 CA CYS A 86 5.261 -8.447 3.905 1.00 0.00 C ATOM 1349 C CYS A 86 6.787 -8.407 4.011 1.00 0.00 C ATOM 1350 O CYS A 86 7.409 -7.355 3.931 1.00 0.00 O ATOM 1351 CB CYS A 86 4.636 -8.434 5.279 1.00 0.00 C ATOM 1352 SG CYS A 86 5.025 -6.987 6.291 1.00 0.00 S ATOM 0 H CYS A 86 4.375 -10.345 3.770 1.00 0.00 H new ATOM 0 HA CYS A 86 4.925 -7.566 3.358 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.554 -8.499 5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.956 -9.328 5.814 1.00 0.00 H new ATOM 0 HG CYS A 86 5.221 -7.358 7.521 1.00 0.00 H new ATOM 1358 N LYS A 87 7.374 -9.571 4.133 1.00 0.00 N ATOM 1359 CA LYS A 87 8.806 -9.732 4.185 1.00 0.00 C ATOM 1360 C LYS A 87 9.409 -9.551 2.800 1.00 0.00 C ATOM 1361 O LYS A 87 10.621 -9.448 2.642 1.00 0.00 O ATOM 1362 CB LYS A 87 9.137 -11.083 4.790 1.00 0.00 C ATOM 1363 CG LYS A 87 8.782 -11.166 6.279 1.00 0.00 C ATOM 1364 CD LYS A 87 8.718 -12.603 6.781 1.00 0.00 C ATOM 1365 CE LYS A 87 9.969 -13.361 6.447 1.00 0.00 C ATOM 1366 NZ LYS A 87 9.958 -14.733 6.983 1.00 0.00 N ATOM 0 H LYS A 87 6.861 -10.450 4.200 1.00 0.00 H new ATOM 0 HA LYS A 87 9.246 -8.965 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.599 -11.861 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.201 -11.283 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.523 -10.614 6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.820 -10.682 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.568 -12.605 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.858 -13.106 6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.089 -13.398 5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.831 -12.826 6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.843 -15.214 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.871 -14.700 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.152 -15.255 6.584 1.00 0.00 H new ATOM 1380 N MET A 88 8.550 -9.515 1.797 1.00 0.00 N ATOM 1381 CA MET A 88 8.969 -9.174 0.460 1.00 0.00 C ATOM 1382 C MET A 88 8.999 -7.674 0.372 1.00 0.00 C ATOM 1383 O MET A 88 9.924 -7.105 -0.147 1.00 0.00 O ATOM 1384 CB MET A 88 8.039 -9.743 -0.611 1.00 0.00 C ATOM 1385 CG MET A 88 7.984 -11.251 -0.659 1.00 0.00 C ATOM 1386 SD MET A 88 6.859 -11.857 -1.926 1.00 0.00 S ATOM 1387 CE MET A 88 7.059 -13.618 -1.698 1.00 0.00 C ATOM 0 H MET A 88 7.555 -9.720 1.889 1.00 0.00 H new ATOM 0 HA MET A 88 9.951 -9.609 0.273 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.033 -9.361 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.359 -9.373 -1.585 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.984 -11.642 -0.847 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.671 -11.631 0.313 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.428 -14.151 -2.409 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.101 -13.890 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.770 -13.889 -0.682 1.00 0.00 H new ATOM 1397 N ALA A 89 7.997 -7.030 0.962 1.00 0.00 N ATOM 1398 CA ALA A 89 7.923 -5.572 0.995 1.00 0.00 C ATOM 1399 C ALA A 89 9.149 -5.006 1.703 1.00 0.00 C ATOM 1400 O ALA A 89 9.794 -4.075 1.215 1.00 0.00 O ATOM 1401 CB ALA A 89 6.664 -5.127 1.706 1.00 0.00 C ATOM 0 H ALA A 89 7.219 -7.498 1.427 1.00 0.00 H new ATOM 0 HA ALA A 89 7.898 -5.198 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.622 -4.038 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.792 -5.516 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.670 -5.506 2.728 1.00 0.00 H new ATOM 1407 N LYS A 90 9.509 -5.650 2.814 1.00 0.00 N ATOM 1408 CA LYS A 90 10.674 -5.279 3.631 1.00 0.00 C ATOM 1409 C LYS A 90 12.002 -5.596 2.930 1.00 0.00 C ATOM 1410 O LYS A 90 13.084 -5.298 3.460 1.00 0.00 O ATOM 1411 CB LYS A 90 10.639 -6.021 4.965 1.00 0.00 C ATOM 1412 CG LYS A 90 9.431 -5.725 5.828 1.00 0.00 C ATOM 1413 CD LYS A 90 9.441 -6.588 7.073 1.00 0.00 C ATOM 1414 CE LYS A 90 8.249 -6.297 7.960 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.269 -7.089 9.201 1.00 0.00 N ATOM 0 H LYS A 90 8.997 -6.453 3.179 1.00 0.00 H new ATOM 0 HA LYS A 90 10.617 -4.202 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.673 -7.093 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.539 -5.771 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.427 -4.672 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.518 -5.907 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.435 -7.640 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.361 -6.414 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.235 -5.236 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.331 -6.508 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.593 -6.686 9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.003 -8.072 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.225 -7.070 9.610 1.00 0.00 H new ATOM 1429 N ALA A 91 11.924 -6.206 1.771 1.00 0.00 N ATOM 1430 CA ALA A 91 13.100 -6.570 1.026 1.00 0.00 C ATOM 1431 C ALA A 91 13.162 -5.852 -0.308 1.00 0.00 C ATOM 1432 O ALA A 91 14.197 -5.836 -0.960 1.00 0.00 O ATOM 1433 CB ALA A 91 13.104 -8.070 0.802 1.00 0.00 C ATOM 0 H ALA A 91 11.045 -6.462 1.321 1.00 0.00 H new ATOM 0 HA ALA A 91 13.976 -6.273 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.993 -8.351 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.108 -8.582 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.214 -8.357 0.243 1.00 0.00 H new ATOM 1439 N GLU A 92 12.069 -5.243 -0.694 1.00 0.00 N ATOM 1440 CA GLU A 92 11.946 -4.669 -2.023 1.00 0.00 C ATOM 1441 C GLU A 92 11.611 -3.168 -1.983 1.00 0.00 C ATOM 1442 O GLU A 92 12.183 -2.394 -2.738 1.00 0.00 O ATOM 1443 CB GLU A 92 10.875 -5.439 -2.773 1.00 0.00 C ATOM 1444 CG GLU A 92 11.176 -6.930 -2.949 1.00 0.00 C ATOM 1445 CD GLU A 92 12.117 -7.268 -4.100 1.00 0.00 C ATOM 1446 OE1 GLU A 92 13.303 -6.861 -4.082 1.00 0.00 O ATOM 1447 OE2 GLU A 92 11.688 -7.968 -5.034 1.00 0.00 O ATOM 0 H GLU A 92 11.243 -5.128 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 92 12.905 -4.753 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.929 -5.332 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.742 -4.989 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.609 -7.309 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.235 -7.459 -3.102 1.00 0.00 H new ATOM 1454 N MET A 93 10.684 -2.750 -1.103 1.00 0.00 N ATOM 1455 CA MET A 93 10.325 -1.316 -1.006 1.00 0.00 C ATOM 1456 C MET A 93 11.280 -0.618 -0.063 1.00 0.00 C ATOM 1457 O MET A 93 11.403 0.616 -0.056 1.00 0.00 O ATOM 1458 CB MET A 93 8.879 -1.084 -0.504 1.00 0.00 C ATOM 1459 CG MET A 93 7.979 -0.366 -1.494 1.00 0.00 C ATOM 1460 SD MET A 93 6.852 0.795 -0.708 1.00 0.00 S ATOM 1461 CE MET A 93 7.999 2.076 -0.229 1.00 0.00 C ATOM 0 H MET A 93 10.179 -3.363 -0.463 1.00 0.00 H new ATOM 0 HA MET A 93 10.394 -0.908 -2.014 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.433 -2.048 -0.259 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.916 -0.506 0.420 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.596 0.168 -2.216 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.401 -1.103 -2.052 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.563 2.674 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.926 1.622 0.121 1.00 0.00 H new ATOM 0 HE3 MET A 93 8.209 2.716 -1.086 1.00 0.00 H new