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 63 THR OG1 : rot 180:sc= 0.0983 USER MOD Set 1.2: A 64 SER OG : rot -166:sc= 1.01 USER MOD Single : A 11 THR OG1 : rot -45:sc= 0.245 USER MOD Single : A 13 GLN : amide:sc= -2.8 X(o=-2.8,f=-3.3!) USER MOD Single : A 14 THR OG1 : rot 96:sc= 1.19 USER MOD Single : A 18 GLN : amide:sc= 0.0868 K(o=0.087,f=-0.55) USER MOD Single : A 20 ASN : amide:sc= -0.756 X(o=-0.76,f=-0.86) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 1.32 (180deg=1.15) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= 0.268 (180deg=0.151) USER MOD Single : A 29 SER OG : rot 101:sc= 1.27 USER MOD Single : A 43 THR OG1 : rot 45:sc= -1.71! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= 1.29 (180deg=1.22) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 1.36 (180deg=1.1) USER MOD Single : A 62 ASN : amide:sc= -0.0121 K(o=-0.012,f=-2.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.08 K(o=1.1,f=-4.5!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 73 THR OG1 : rot -130:sc= 0.108 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 80 MET CE :methyl 168:sc= -0.869 (180deg=-1.54) USER MOD Single : A 81 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.68) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 86 CYS SG : rot -13:sc= -2.68 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+ 174:sc= 1.27 (180deg=1.11) USER MOD Single : A 93 MET CE :methyl 171:sc= -2.29 (180deg=-2.49) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.484 1.170 -6.099 1.00 0.00 N ATOM 94 CA GLU A 9 5.174 0.934 -6.685 1.00 0.00 C ATOM 95 C GLU A 9 5.078 -0.507 -7.169 1.00 0.00 C ATOM 96 O GLU A 9 4.045 -1.161 -7.014 1.00 0.00 O ATOM 97 CB GLU A 9 4.911 1.890 -7.836 1.00 0.00 C ATOM 98 CG GLU A 9 3.492 1.798 -8.383 1.00 0.00 C ATOM 99 CD GLU A 9 3.335 2.449 -9.724 1.00 0.00 C ATOM 100 OE1 GLU A 9 3.432 3.678 -9.832 1.00 0.00 O ATOM 101 OE2 GLU A 9 3.140 1.729 -10.726 1.00 0.00 O ATOM 0 HA GLU A 9 4.418 1.110 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.099 2.910 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.617 1.683 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.206 0.749 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.806 2.265 -7.677 1.00 0.00 H new ATOM 108 N TRP A 10 6.169 -0.997 -7.740 1.00 0.00 N ATOM 109 CA TRP A 10 6.267 -2.378 -8.153 1.00 0.00 C ATOM 110 C TRP A 10 6.060 -3.297 -6.959 1.00 0.00 C ATOM 111 O TRP A 10 5.276 -4.220 -7.029 1.00 0.00 O ATOM 112 CB TRP A 10 7.626 -2.660 -8.822 1.00 0.00 C ATOM 113 CG TRP A 10 7.898 -4.120 -9.099 1.00 0.00 C ATOM 114 CD1 TRP A 10 7.497 -4.841 -10.175 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.636 -5.028 -8.265 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.941 -6.132 -10.074 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.636 -6.277 -8.906 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.290 -4.902 -7.039 1.00 0.00 C ATOM 119 CZ2 TRP A 10 9.264 -7.393 -8.363 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.910 -6.005 -6.499 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.893 -7.236 -7.160 1.00 0.00 C ATOM 0 H TRP A 10 7.006 -0.445 -7.927 1.00 0.00 H new ATOM 0 HA TRP A 10 5.485 -2.572 -8.887 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.675 -2.110 -9.762 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.419 -2.271 -8.183 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.911 -4.452 -10.995 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.779 -6.868 -10.761 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.309 -3.954 -6.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.255 -8.346 -8.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.418 -5.918 -5.550 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.389 -8.083 -6.710 1.00 0.00 H new ATOM 132 N THR A 11 6.736 -3.024 -5.862 1.00 0.00 N ATOM 133 CA THR A 11 6.606 -3.866 -4.693 1.00 0.00 C ATOM 134 C THR A 11 5.166 -3.826 -4.181 1.00 0.00 C ATOM 135 O THR A 11 4.595 -4.862 -3.850 1.00 0.00 O ATOM 136 CB THR A 11 7.601 -3.487 -3.572 1.00 0.00 C ATOM 137 OG1 THR A 11 8.922 -3.362 -4.121 1.00 0.00 O ATOM 138 CG2 THR A 11 7.629 -4.586 -2.520 1.00 0.00 C ATOM 0 H THR A 11 7.374 -2.235 -5.756 1.00 0.00 H new ATOM 0 HA THR A 11 6.855 -4.884 -4.993 1.00 0.00 H new ATOM 0 HB THR A 11 7.285 -2.544 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.098 -4.114 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.331 -4.317 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.633 -4.707 -2.094 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.943 -5.523 -2.981 1.00 0.00 H new ATOM 146 N LEU A 12 4.579 -2.633 -4.201 1.00 0.00 N ATOM 147 CA LEU A 12 3.191 -2.437 -3.829 1.00 0.00 C ATOM 148 C LEU A 12 2.293 -3.337 -4.672 1.00 0.00 C ATOM 149 O LEU A 12 1.582 -4.188 -4.141 1.00 0.00 O ATOM 150 CB LEU A 12 2.765 -0.991 -4.076 1.00 0.00 C ATOM 151 CG LEU A 12 3.409 0.114 -3.246 1.00 0.00 C ATOM 152 CD1 LEU A 12 2.862 1.469 -3.674 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.124 -0.104 -1.786 1.00 0.00 C ATOM 0 H LEU A 12 5.058 -1.776 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 12 3.093 -2.678 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.951 -0.766 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.687 -0.933 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 12 4.487 0.092 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.326 2.254 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.085 1.635 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.783 1.490 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.588 0.691 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.047 -0.094 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.530 -1.067 -1.476 1.00 0.00 H new ATOM 165 N GLN A 13 2.384 -3.174 -5.998 1.00 0.00 N ATOM 166 CA GLN A 13 1.536 -3.910 -6.925 1.00 0.00 C ATOM 167 C GLN A 13 1.748 -5.412 -6.798 1.00 0.00 C ATOM 168 O GLN A 13 0.803 -6.149 -6.740 1.00 0.00 O ATOM 169 CB GLN A 13 1.711 -3.437 -8.398 1.00 0.00 C ATOM 170 CG GLN A 13 3.061 -3.730 -9.028 1.00 0.00 C ATOM 171 CD GLN A 13 3.161 -3.296 -10.485 1.00 0.00 C ATOM 172 OE1 GLN A 13 4.233 -2.890 -10.959 1.00 0.00 O ATOM 173 NE2 GLN A 13 2.089 -3.442 -11.221 1.00 0.00 N ATOM 0 H GLN A 13 3.040 -2.535 -6.447 1.00 0.00 H new ATOM 0 HA GLN A 13 0.505 -3.691 -6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.938 -3.907 -9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.538 -2.362 -8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.838 -3.226 -8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.259 -4.800 -8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.223 -3.778 -10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.119 -3.220 -12.216 1.00 0.00 H new ATOM 182 N THR A 14 2.998 -5.832 -6.673 1.00 0.00 N ATOM 183 CA THR A 14 3.335 -7.241 -6.591 1.00 0.00 C ATOM 184 C THR A 14 2.684 -7.900 -5.359 1.00 0.00 C ATOM 185 O THR A 14 2.151 -9.001 -5.452 1.00 0.00 O ATOM 186 CB THR A 14 4.872 -7.433 -6.569 1.00 0.00 C ATOM 187 OG1 THR A 14 5.439 -6.706 -7.661 1.00 0.00 O ATOM 188 CG2 THR A 14 5.241 -8.887 -6.751 1.00 0.00 C ATOM 0 H THR A 14 3.803 -5.207 -6.626 1.00 0.00 H new ATOM 0 HA THR A 14 2.939 -7.733 -7.479 1.00 0.00 H new ATOM 0 HB THR A 14 5.247 -7.081 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.738 -5.827 -7.348 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.326 -8.992 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.805 -9.477 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.859 -9.242 -7.708 1.00 0.00 H new ATOM 196 N LEU A 15 2.684 -7.193 -4.240 1.00 0.00 N ATOM 197 CA LEU A 15 2.085 -7.694 -3.004 1.00 0.00 C ATOM 198 C LEU A 15 0.563 -7.632 -3.097 1.00 0.00 C ATOM 199 O LEU A 15 -0.143 -8.578 -2.730 1.00 0.00 O ATOM 200 CB LEU A 15 2.552 -6.843 -1.822 1.00 0.00 C ATOM 201 CG LEU A 15 4.061 -6.795 -1.574 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.393 -5.698 -0.601 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.562 -8.111 -1.027 1.00 0.00 C ATOM 0 H LEU A 15 3.094 -6.263 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 15 2.396 -8.728 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.198 -5.823 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.069 -7.217 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 15 4.550 -6.600 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.470 -5.674 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.068 -4.740 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.882 -5.883 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.637 -8.050 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.060 -8.328 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.351 -8.906 -1.742 1.00 0.00 H new ATOM 215 N LEU A 16 0.062 -6.540 -3.636 1.00 0.00 N ATOM 216 CA LEU A 16 -1.371 -6.319 -3.734 1.00 0.00 C ATOM 217 C LEU A 16 -1.996 -7.147 -4.874 1.00 0.00 C ATOM 218 O LEU A 16 -3.205 -7.174 -5.053 1.00 0.00 O ATOM 219 CB LEU A 16 -1.684 -4.822 -3.876 1.00 0.00 C ATOM 220 CG LEU A 16 -1.172 -3.907 -2.749 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.508 -2.459 -3.037 1.00 0.00 C ATOM 222 CD2 LEU A 16 -1.762 -4.316 -1.423 1.00 0.00 C ATOM 0 H LEU A 16 0.630 -5.783 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.828 -6.665 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.262 -4.472 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.765 -4.704 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.088 -4.011 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.136 -1.831 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.041 -2.157 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.589 -2.345 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.388 -3.657 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.849 -4.243 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.477 -5.344 -1.199 1.00 0.00 H new ATOM 234 N GLU A 17 -1.169 -7.797 -5.654 1.00 0.00 N ATOM 235 CA GLU A 17 -1.656 -8.719 -6.653 1.00 0.00 C ATOM 236 C GLU A 17 -1.687 -10.130 -6.096 1.00 0.00 C ATOM 237 O GLU A 17 -2.153 -11.063 -6.737 1.00 0.00 O ATOM 238 CB GLU A 17 -0.876 -8.622 -7.964 1.00 0.00 C ATOM 239 CG GLU A 17 -1.172 -7.320 -8.722 1.00 0.00 C ATOM 240 CD GLU A 17 -0.624 -7.310 -10.113 1.00 0.00 C ATOM 241 OE1 GLU A 17 -1.258 -7.905 -11.007 1.00 0.00 O ATOM 242 OE2 GLU A 17 0.425 -6.680 -10.361 1.00 0.00 O ATOM 0 H GLU A 17 -0.154 -7.706 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.679 -8.437 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.192 -8.683 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.126 -9.473 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.251 -7.168 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.752 -6.481 -8.167 1.00 0.00 H new ATOM 249 N GLN A 18 -1.205 -10.266 -4.884 1.00 0.00 N ATOM 250 CA GLN A 18 -1.263 -11.516 -4.165 1.00 0.00 C ATOM 251 C GLN A 18 -2.458 -11.458 -3.239 1.00 0.00 C ATOM 252 O GLN A 18 -3.306 -12.347 -3.220 1.00 0.00 O ATOM 253 CB GLN A 18 0.022 -11.728 -3.368 1.00 0.00 C ATOM 254 CG GLN A 18 1.258 -11.749 -4.238 1.00 0.00 C ATOM 255 CD GLN A 18 2.547 -11.813 -3.456 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.619 -12.394 -2.376 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.554 -11.162 -3.975 1.00 0.00 N ATOM 0 H GLN A 18 -0.759 -9.509 -4.366 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.363 -12.351 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.119 -10.934 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.047 -12.668 -2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.206 -12.608 -4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.267 -10.857 -4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.449 -10.694 -4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.445 -11.122 -3.480 1.00 0.00 H new ATOM 266 N LEU A 19 -2.545 -10.379 -2.502 1.00 0.00 N ATOM 267 CA LEU A 19 -3.647 -10.157 -1.610 1.00 0.00 C ATOM 268 C LEU A 19 -4.591 -9.173 -2.309 1.00 0.00 C ATOM 269 O LEU A 19 -4.171 -8.108 -2.695 1.00 0.00 O ATOM 270 CB LEU A 19 -3.116 -9.561 -0.274 1.00 0.00 C ATOM 271 CG LEU A 19 -2.772 -8.061 -0.284 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.883 -7.221 0.309 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.440 -7.750 0.319 1.00 0.00 C ATOM 0 H LEU A 19 -1.851 -9.631 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.172 -11.083 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.864 -9.735 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.223 -10.115 0.016 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.685 -7.784 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.598 -6.169 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.796 -7.365 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.056 -7.523 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.264 -6.675 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.425 -8.081 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.659 -8.267 -0.238 1.00 0.00 H new ATOM 285 N ASN A 20 -5.829 -9.549 -2.553 1.00 0.00 N ATOM 286 CA ASN A 20 -6.763 -8.608 -3.192 1.00 0.00 C ATOM 287 C ASN A 20 -8.216 -9.017 -3.103 1.00 0.00 C ATOM 288 O ASN A 20 -8.947 -8.399 -2.354 1.00 0.00 O ATOM 289 CB ASN A 20 -6.352 -8.222 -4.638 1.00 0.00 C ATOM 290 CG ASN A 20 -6.107 -9.408 -5.528 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.978 -9.844 -6.253 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.954 -9.977 -5.403 1.00 0.00 N ATOM 0 H ASN A 20 -6.216 -10.467 -2.332 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.679 -7.702 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.135 -7.604 -5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.449 -7.613 -4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.746 -10.828 -5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.252 -9.575 -4.782 1.00 0.00 H new ATOM 299 N GLU A 21 -8.584 -10.100 -3.797 1.00 0.00 N ATOM 300 CA GLU A 21 -9.977 -10.589 -3.948 1.00 0.00 C ATOM 301 C GLU A 21 -10.867 -10.326 -2.704 1.00 0.00 C ATOM 302 O GLU A 21 -11.753 -9.472 -2.745 1.00 0.00 O ATOM 303 CB GLU A 21 -9.944 -12.070 -4.314 1.00 0.00 C ATOM 304 CG GLU A 21 -11.274 -12.651 -4.726 1.00 0.00 C ATOM 305 CD GLU A 21 -11.147 -14.093 -5.104 1.00 0.00 C ATOM 306 OE1 GLU A 21 -10.712 -14.389 -6.232 1.00 0.00 O ATOM 307 OE2 GLU A 21 -11.438 -14.972 -4.257 1.00 0.00 O ATOM 0 H GLU A 21 -7.907 -10.684 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.445 -10.019 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.234 -12.213 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.567 -12.632 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.986 -12.549 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.674 -12.086 -5.568 1.00 0.00 H new ATOM 314 N ASP A 22 -10.602 -11.012 -1.604 1.00 0.00 N ATOM 315 CA ASP A 22 -11.352 -10.756 -0.353 1.00 0.00 C ATOM 316 C ASP A 22 -10.405 -10.131 0.664 1.00 0.00 C ATOM 317 O ASP A 22 -10.786 -9.673 1.736 1.00 0.00 O ATOM 318 CB ASP A 22 -11.941 -12.078 0.199 1.00 0.00 C ATOM 319 CG ASP A 22 -12.876 -11.896 1.389 1.00 0.00 C ATOM 320 OD1 ASP A 22 -14.082 -11.637 1.171 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.433 -12.011 2.558 1.00 0.00 O ATOM 0 H ASP A 22 -9.890 -11.740 -1.536 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.179 -10.074 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.483 -12.583 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.121 -12.734 0.492 1.00 0.00 H new ATOM 326 N GLU A 23 -9.189 -10.013 0.242 1.00 0.00 N ATOM 327 CA GLU A 23 -8.088 -9.649 1.104 1.00 0.00 C ATOM 328 C GLU A 23 -7.964 -8.149 1.226 1.00 0.00 C ATOM 329 O GLU A 23 -7.694 -7.616 2.301 1.00 0.00 O ATOM 330 CB GLU A 23 -6.815 -10.202 0.493 1.00 0.00 C ATOM 331 CG GLU A 23 -6.971 -11.622 -0.026 1.00 0.00 C ATOM 332 CD GLU A 23 -7.290 -12.614 1.064 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.473 -12.822 1.357 1.00 0.00 O ATOM 334 OE2 GLU A 23 -6.365 -13.185 1.652 1.00 0.00 O ATOM 0 H GLU A 23 -8.917 -10.168 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.261 -10.057 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.501 -9.555 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.021 -10.179 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.763 -11.645 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.051 -11.923 -0.527 1.00 0.00 H new ATOM 341 N LEU A 24 -8.215 -7.461 0.133 1.00 0.00 N ATOM 342 CA LEU A 24 -8.025 -6.030 0.072 1.00 0.00 C ATOM 343 C LEU A 24 -9.087 -5.334 0.896 1.00 0.00 C ATOM 344 O LEU A 24 -8.896 -4.216 1.341 1.00 0.00 O ATOM 345 CB LEU A 24 -8.083 -5.551 -1.368 1.00 0.00 C ATOM 346 CG LEU A 24 -7.236 -4.332 -1.709 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.757 -4.630 -1.495 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.472 -3.930 -3.137 1.00 0.00 C ATOM 0 H LEU A 24 -8.555 -7.877 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.043 -5.788 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.775 -6.373 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.121 -5.325 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.525 -3.513 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.168 -3.747 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.587 -4.897 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.456 -5.459 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.863 -3.058 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.199 -4.754 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.525 -3.687 -3.277 1.00 0.00 H new ATOM 360 N LYS A 25 -10.190 -6.039 1.122 1.00 0.00 N ATOM 361 CA LYS A 25 -11.302 -5.558 1.934 1.00 0.00 C ATOM 362 C LYS A 25 -10.802 -5.187 3.336 1.00 0.00 C ATOM 363 O LYS A 25 -11.219 -4.184 3.919 1.00 0.00 O ATOM 364 CB LYS A 25 -12.356 -6.657 2.015 1.00 0.00 C ATOM 365 CG LYS A 25 -12.923 -7.051 0.655 1.00 0.00 C ATOM 366 CD LYS A 25 -13.740 -8.322 0.745 1.00 0.00 C ATOM 367 CE LYS A 25 -14.386 -8.674 -0.591 1.00 0.00 C ATOM 368 NZ LYS A 25 -15.215 -9.889 -0.498 1.00 0.00 N ATOM 0 H LYS A 25 -10.339 -6.973 0.741 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.739 -4.668 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.918 -7.537 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.171 -6.323 2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.545 -6.243 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.107 -7.190 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.100 -9.144 1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.514 -8.204 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.001 -7.840 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.610 -8.821 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.044 -10.490 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.967 -10.413 0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.220 -9.622 -0.464 1.00 0.00 H new ATOM 382 N SER A 26 -9.885 -5.990 3.844 1.00 0.00 N ATOM 383 CA SER A 26 -9.253 -5.763 5.082 1.00 0.00 C ATOM 384 C SER A 26 -8.276 -4.593 4.972 1.00 0.00 C ATOM 385 O SER A 26 -8.365 -3.624 5.719 1.00 0.00 O ATOM 386 CB SER A 26 -8.495 -7.013 5.404 1.00 0.00 C ATOM 387 OG SER A 26 -9.366 -8.126 5.558 1.00 0.00 O ATOM 0 H SER A 26 -9.567 -6.837 3.374 1.00 0.00 H new ATOM 0 HA SER A 26 -9.984 -5.521 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.777 -7.219 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.924 -6.867 6.321 1.00 0.00 H new ATOM 0 HG SER A 26 -8.840 -8.927 5.766 1.00 0.00 H new ATOM 393 N PHE A 27 -7.388 -4.694 3.992 1.00 0.00 N ATOM 394 CA PHE A 27 -6.315 -3.731 3.739 1.00 0.00 C ATOM 395 C PHE A 27 -6.854 -2.284 3.663 1.00 0.00 C ATOM 396 O PHE A 27 -6.350 -1.392 4.356 1.00 0.00 O ATOM 397 CB PHE A 27 -5.616 -4.133 2.426 1.00 0.00 C ATOM 398 CG PHE A 27 -4.400 -3.315 2.033 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.526 -2.045 1.488 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.126 -3.828 2.214 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.412 -1.306 1.141 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.008 -3.091 1.869 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.152 -1.830 1.331 1.00 0.00 C ATOM 0 H PHE A 27 -7.391 -5.470 3.330 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.603 -3.750 4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.315 -5.177 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.345 -4.072 1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.510 -1.628 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.004 -4.817 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.529 -0.318 0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.022 -3.504 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.280 -1.254 1.059 1.00 0.00 H new ATOM 413 N LYS A 28 -7.898 -2.083 2.845 1.00 0.00 N ATOM 414 CA LYS A 28 -8.525 -0.759 2.651 1.00 0.00 C ATOM 415 C LYS A 28 -8.998 -0.191 3.993 1.00 0.00 C ATOM 416 O LYS A 28 -8.758 0.963 4.324 1.00 0.00 O ATOM 417 CB LYS A 28 -9.739 -0.875 1.694 1.00 0.00 C ATOM 418 CG LYS A 28 -9.414 -1.395 0.292 1.00 0.00 C ATOM 419 CD LYS A 28 -10.680 -1.585 -0.558 1.00 0.00 C ATOM 420 CE LYS A 28 -10.342 -2.179 -1.926 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.531 -2.389 -2.794 1.00 0.00 N ATOM 0 H LYS A 28 -8.333 -2.827 2.300 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.781 -0.091 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.477 -1.536 2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.204 0.106 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.743 -0.696 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.884 -2.344 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.377 -2.240 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.181 -0.626 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.642 -1.518 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.834 -3.133 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.250 -2.311 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.926 -3.335 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.249 -1.668 -2.579 1.00 0.00 H new ATOM 435 N SER A 29 -9.613 -1.044 4.758 1.00 0.00 N ATOM 436 CA SER A 29 -10.186 -0.733 6.017 1.00 0.00 C ATOM 437 C SER A 29 -9.137 -0.382 7.075 1.00 0.00 C ATOM 438 O SER A 29 -9.258 0.606 7.764 1.00 0.00 O ATOM 439 CB SER A 29 -10.936 -1.949 6.422 1.00 0.00 C ATOM 440 OG SER A 29 -12.057 -2.192 5.575 1.00 0.00 O ATOM 0 H SER A 29 -9.730 -2.024 4.499 1.00 0.00 H new ATOM 0 HA SER A 29 -10.822 0.148 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.269 -2.811 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.277 -1.839 7.452 1.00 0.00 H new ATOM 0 HG SER A 29 -11.832 -2.893 4.928 1.00 0.00 H new ATOM 446 N LEU A 30 -8.141 -1.218 7.196 1.00 0.00 N ATOM 447 CA LEU A 30 -7.023 -1.031 8.144 1.00 0.00 C ATOM 448 C LEU A 30 -6.316 0.292 7.916 1.00 0.00 C ATOM 449 O LEU A 30 -5.874 0.960 8.860 1.00 0.00 O ATOM 450 CB LEU A 30 -6.056 -2.163 7.967 1.00 0.00 C ATOM 451 CG LEU A 30 -6.615 -3.526 8.306 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.704 -4.578 7.762 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.752 -3.684 9.810 1.00 0.00 C ATOM 0 H LEU A 30 -8.062 -2.069 6.639 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.419 -1.020 9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.713 -2.172 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.182 -1.978 8.591 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.604 -3.630 7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.102 -5.564 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.630 -4.471 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.715 -4.467 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.156 -4.671 10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.773 -3.576 10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.425 -2.919 10.196 1.00 0.00 H new ATOM 465 N LEU A 31 -6.235 0.656 6.670 1.00 0.00 N ATOM 466 CA LEU A 31 -5.684 1.920 6.231 1.00 0.00 C ATOM 467 C LEU A 31 -6.567 3.088 6.700 1.00 0.00 C ATOM 468 O LEU A 31 -6.094 4.183 6.936 1.00 0.00 O ATOM 469 CB LEU A 31 -5.553 1.857 4.703 1.00 0.00 C ATOM 470 CG LEU A 31 -5.605 3.169 3.901 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.310 3.956 3.982 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.021 2.908 2.465 1.00 0.00 C ATOM 0 H LEU A 31 -6.559 0.068 5.902 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.701 2.095 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.607 1.366 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.347 1.210 4.330 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.366 3.798 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.404 4.872 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.102 4.208 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.493 3.354 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.051 3.850 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.302 2.237 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.009 2.449 2.450 1.00 0.00 H new ATOM 484 N TRP A 32 -7.823 2.823 6.883 1.00 0.00 N ATOM 485 CA TRP A 32 -8.743 3.831 7.331 1.00 0.00 C ATOM 486 C TRP A 32 -8.884 3.775 8.850 1.00 0.00 C ATOM 487 O TRP A 32 -9.462 4.666 9.472 1.00 0.00 O ATOM 488 CB TRP A 32 -10.088 3.612 6.659 1.00 0.00 C ATOM 489 CG TRP A 32 -10.620 4.850 6.054 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.699 5.580 6.438 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.050 5.516 4.948 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.841 6.659 5.603 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.831 6.640 4.678 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.946 5.245 4.157 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.538 7.513 3.633 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.644 6.103 3.119 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.440 7.230 2.865 1.00 0.00 C ATOM 0 H TRP A 32 -8.242 1.906 6.728 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.366 4.818 7.062 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.987 2.848 5.888 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.800 3.233 7.392 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.345 5.347 7.272 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.579 7.361 5.661 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.332 4.377 4.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.153 8.379 3.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.785 5.905 2.495 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.182 7.887 2.048 1.00 0.00 H new ATOM 508 N ALA A 33 -8.337 2.734 9.435 1.00 0.00 N ATOM 509 CA ALA A 33 -8.422 2.504 10.864 1.00 0.00 C ATOM 510 C ALA A 33 -7.275 3.166 11.604 1.00 0.00 C ATOM 511 O ALA A 33 -7.406 3.535 12.785 1.00 0.00 O ATOM 512 CB ALA A 33 -8.451 1.015 11.158 1.00 0.00 C ATOM 0 H ALA A 33 -7.816 2.016 8.931 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.349 2.954 11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.515 0.858 12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.318 0.565 10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.541 0.551 10.777 1.00 0.00 H new ATOM 518 N PHE A 34 -6.150 3.318 10.940 1.00 0.00 N ATOM 519 CA PHE A 34 -5.032 3.941 11.568 1.00 0.00 C ATOM 520 C PHE A 34 -5.198 5.461 11.435 1.00 0.00 C ATOM 521 O PHE A 34 -5.814 5.925 10.466 1.00 0.00 O ATOM 522 CB PHE A 34 -3.675 3.434 10.962 1.00 0.00 C ATOM 523 CG PHE A 34 -3.246 4.027 9.641 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.677 5.285 9.583 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.391 3.322 8.478 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.283 5.833 8.389 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.990 3.864 7.274 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.443 5.121 7.231 1.00 0.00 C ATOM 0 H PHE A 34 -5.997 3.019 9.977 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.999 3.674 12.624 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.887 3.626 11.690 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.742 2.353 10.841 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.540 5.847 10.495 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.823 2.333 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.849 6.821 8.363 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.107 3.297 6.363 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.139 5.548 6.286 1.00 0.00 H new ATOM 672 N THR A 43 -7.014 11.449 0.380 1.00 0.00 N ATOM 673 CA THR A 43 -7.203 10.098 -0.138 1.00 0.00 C ATOM 674 C THR A 43 -8.669 9.838 -0.505 1.00 0.00 C ATOM 675 O THR A 43 -9.548 9.823 0.367 1.00 0.00 O ATOM 676 CB THR A 43 -6.737 9.046 0.899 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.423 9.388 1.355 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.690 7.655 0.273 1.00 0.00 C ATOM 0 HA THR A 43 -6.599 10.009 -1.041 1.00 0.00 H new ATOM 0 HB THR A 43 -7.443 9.039 1.729 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.383 10.348 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.360 6.931 1.019 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.684 7.382 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.992 7.656 -0.565 1.00 0.00 H new ATOM 686 N PRO A 44 -8.947 9.682 -1.799 1.00 0.00 N ATOM 687 CA PRO A 44 -10.288 9.435 -2.286 1.00 0.00 C ATOM 688 C PRO A 44 -10.709 7.967 -2.099 1.00 0.00 C ATOM 689 O PRO A 44 -10.205 7.063 -2.790 1.00 0.00 O ATOM 690 CB PRO A 44 -10.192 9.799 -3.774 1.00 0.00 C ATOM 691 CG PRO A 44 -8.763 9.536 -4.141 1.00 0.00 C ATOM 692 CD PRO A 44 -7.955 9.769 -2.899 1.00 0.00 C ATOM 0 HA PRO A 44 -11.041 10.010 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.872 9.194 -4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.459 10.842 -3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.636 8.515 -4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.440 10.199 -4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.170 9.021 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.466 10.743 -2.919 1.00 0.00 H new ATOM 700 N TRP A 45 -11.622 7.723 -1.168 1.00 0.00 N ATOM 701 CA TRP A 45 -12.095 6.375 -0.894 1.00 0.00 C ATOM 702 C TRP A 45 -12.898 5.837 -2.083 1.00 0.00 C ATOM 703 O TRP A 45 -12.956 4.642 -2.297 1.00 0.00 O ATOM 704 CB TRP A 45 -12.904 6.318 0.418 1.00 0.00 C ATOM 705 CG TRP A 45 -13.380 4.933 0.796 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.541 4.351 0.421 1.00 0.00 C ATOM 707 CD2 TRP A 45 -12.707 3.959 1.615 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.643 3.104 0.947 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.543 2.835 1.686 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.499 3.925 2.290 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.210 1.693 2.402 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.168 2.784 3.005 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.023 1.688 3.054 1.00 0.00 C ATOM 0 H TRP A 45 -12.050 8.445 -0.589 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.228 5.729 -0.758 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.289 6.712 1.228 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.769 6.974 0.326 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.285 4.814 -0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.428 2.468 0.807 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -10.828 4.770 2.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -13.873 0.841 2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.227 2.746 3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.735 0.816 3.623 1.00 0.00 H new ATOM 724 N SER A 46 -13.455 6.738 -2.887 1.00 0.00 N ATOM 725 CA SER A 46 -14.198 6.352 -4.075 1.00 0.00 C ATOM 726 C SER A 46 -13.279 5.600 -5.045 1.00 0.00 C ATOM 727 O SER A 46 -13.712 4.678 -5.731 1.00 0.00 O ATOM 728 CB SER A 46 -14.812 7.587 -4.750 1.00 0.00 C ATOM 729 OG SER A 46 -15.570 7.241 -5.912 1.00 0.00 O ATOM 0 H SER A 46 -13.403 7.745 -2.733 1.00 0.00 H new ATOM 0 HA SER A 46 -15.012 5.688 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.455 8.107 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.018 8.280 -5.028 1.00 0.00 H new ATOM 0 HG SER A 46 -15.945 8.053 -6.312 1.00 0.00 H new ATOM 735 N GLU A 47 -12.017 5.991 -5.072 1.00 0.00 N ATOM 736 CA GLU A 47 -11.037 5.323 -5.886 1.00 0.00 C ATOM 737 C GLU A 47 -10.662 4.016 -5.227 1.00 0.00 C ATOM 738 O GLU A 47 -10.656 2.981 -5.865 1.00 0.00 O ATOM 739 CB GLU A 47 -9.803 6.201 -6.065 1.00 0.00 C ATOM 740 CG GLU A 47 -10.055 7.468 -6.859 1.00 0.00 C ATOM 741 CD GLU A 47 -10.457 7.178 -8.279 1.00 0.00 C ATOM 742 OE1 GLU A 47 -9.563 6.979 -9.129 1.00 0.00 O ATOM 743 OE2 GLU A 47 -11.664 7.145 -8.581 1.00 0.00 O ATOM 0 H GLU A 47 -11.652 6.775 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.457 5.128 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.417 6.472 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.027 5.621 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.838 8.050 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.154 8.082 -6.856 1.00 0.00 H new ATOM 750 N VAL A 48 -10.412 4.087 -3.915 1.00 0.00 N ATOM 751 CA VAL A 48 -10.022 2.929 -3.095 1.00 0.00 C ATOM 752 C VAL A 48 -11.044 1.791 -3.235 1.00 0.00 C ATOM 753 O VAL A 48 -10.676 0.630 -3.437 1.00 0.00 O ATOM 754 CB VAL A 48 -9.902 3.322 -1.587 1.00 0.00 C ATOM 755 CG1 VAL A 48 -9.537 2.134 -0.718 1.00 0.00 C ATOM 756 CG2 VAL A 48 -8.905 4.444 -1.387 1.00 0.00 C ATOM 0 H VAL A 48 -10.475 4.956 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.051 2.590 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.886 3.674 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.464 2.453 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.306 1.367 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.578 1.728 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.845 4.693 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.924 4.127 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.227 5.321 -1.948 1.00 0.00 H new ATOM 766 N GLU A 49 -12.311 2.153 -3.150 1.00 0.00 N ATOM 767 CA GLU A 49 -13.417 1.242 -3.261 1.00 0.00 C ATOM 768 C GLU A 49 -13.380 0.434 -4.530 1.00 0.00 C ATOM 769 O GLU A 49 -13.454 -0.793 -4.498 1.00 0.00 O ATOM 770 CB GLU A 49 -14.732 1.996 -3.196 1.00 0.00 C ATOM 771 CG GLU A 49 -15.384 1.993 -1.864 1.00 0.00 C ATOM 772 CD GLU A 49 -16.731 2.656 -1.875 1.00 0.00 C ATOM 773 OE1 GLU A 49 -16.798 3.885 -1.892 1.00 0.00 O ATOM 774 OE2 GLU A 49 -17.766 1.947 -1.849 1.00 0.00 O ATOM 0 H GLU A 49 -12.599 3.120 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.333 0.552 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.558 3.029 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.419 1.563 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.493 0.964 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.739 2.502 -1.148 1.00 0.00 H new ATOM 781 N GLU A 50 -13.219 1.109 -5.629 1.00 0.00 N ATOM 782 CA GLU A 50 -13.313 0.478 -6.918 1.00 0.00 C ATOM 783 C GLU A 50 -11.964 -0.073 -7.392 1.00 0.00 C ATOM 784 O GLU A 50 -11.865 -0.652 -8.466 1.00 0.00 O ATOM 785 CB GLU A 50 -13.873 1.468 -7.931 1.00 0.00 C ATOM 786 CG GLU A 50 -15.257 1.978 -7.568 1.00 0.00 C ATOM 787 CD GLU A 50 -15.776 3.015 -8.521 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.351 2.651 -9.562 1.00 0.00 O ATOM 789 OE2 GLU A 50 -15.669 4.223 -8.226 1.00 0.00 O ATOM 0 H GLU A 50 -13.019 2.109 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.988 -0.373 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.192 2.315 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.914 0.992 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.951 1.138 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.229 2.399 -6.563 1.00 0.00 H new ATOM 796 N ALA A 51 -10.951 0.107 -6.598 1.00 0.00 N ATOM 797 CA ALA A 51 -9.616 -0.318 -6.953 1.00 0.00 C ATOM 798 C ALA A 51 -9.251 -1.623 -6.316 1.00 0.00 C ATOM 799 O ALA A 51 -9.735 -1.968 -5.227 1.00 0.00 O ATOM 800 CB ALA A 51 -8.619 0.722 -6.540 1.00 0.00 C ATOM 0 H ALA A 51 -11.020 0.553 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.599 -0.451 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.616 0.393 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.842 1.661 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.673 0.869 -5.461 1.00 0.00 H new ATOM 806 N ASP A 52 -8.384 -2.342 -6.988 1.00 0.00 N ATOM 807 CA ASP A 52 -7.861 -3.569 -6.484 1.00 0.00 C ATOM 808 C ASP A 52 -6.406 -3.645 -6.856 1.00 0.00 C ATOM 809 O ASP A 52 -5.996 -3.016 -7.833 1.00 0.00 O ATOM 810 CB ASP A 52 -8.592 -4.789 -7.053 1.00 0.00 C ATOM 811 CG ASP A 52 -8.164 -5.175 -8.467 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.642 -4.567 -9.447 1.00 0.00 O ATOM 813 OD2 ASP A 52 -7.334 -6.108 -8.624 1.00 0.00 O ATOM 0 H ASP A 52 -8.025 -2.082 -7.906 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.998 -3.584 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.426 -5.639 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.663 -4.589 -7.052 1.00 0.00 H new ATOM 818 N GLY A 53 -5.635 -4.337 -6.036 1.00 0.00 N ATOM 819 CA GLY A 53 -4.230 -4.624 -6.295 1.00 0.00 C ATOM 820 C GLY A 53 -3.401 -3.446 -6.781 1.00 0.00 C ATOM 821 O GLY A 53 -3.122 -2.515 -6.015 1.00 0.00 O ATOM 0 H GLY A 53 -5.972 -4.724 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.781 -5.009 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.170 -5.419 -7.038 1.00 0.00 H new ATOM 825 N LYS A 54 -3.062 -3.467 -8.083 1.00 0.00 N ATOM 826 CA LYS A 54 -2.210 -2.452 -8.704 1.00 0.00 C ATOM 827 C LYS A 54 -2.846 -1.103 -8.574 1.00 0.00 C ATOM 828 O LYS A 54 -2.173 -0.110 -8.320 1.00 0.00 O ATOM 829 CB LYS A 54 -2.020 -2.720 -10.197 1.00 0.00 C ATOM 830 CG LYS A 54 -0.877 -1.914 -10.807 1.00 0.00 C ATOM 831 CD LYS A 54 -1.260 -1.095 -12.047 1.00 0.00 C ATOM 832 CE LYS A 54 -1.996 0.184 -11.679 1.00 0.00 C ATOM 833 NZ LYS A 54 -2.324 1.013 -12.867 1.00 0.00 N ATOM 0 H LYS A 54 -3.374 -4.191 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.246 -2.487 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.829 -3.782 -10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.945 -2.484 -10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.483 -1.237 -10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.071 -2.597 -11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.360 -0.847 -12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.888 -1.700 -12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.916 -0.069 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.384 0.767 -10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.207 2.019 -12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.687 0.764 -13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.308 0.837 -13.152 1.00 0.00 H new ATOM 847 N LYS A 55 -4.150 -1.065 -8.750 1.00 0.00 N ATOM 848 CA LYS A 55 -4.863 0.173 -8.681 1.00 0.00 C ATOM 849 C LYS A 55 -4.783 0.787 -7.313 1.00 0.00 C ATOM 850 O LYS A 55 -4.665 1.989 -7.192 1.00 0.00 O ATOM 851 CB LYS A 55 -6.318 0.051 -9.104 1.00 0.00 C ATOM 852 CG LYS A 55 -6.572 0.141 -10.589 1.00 0.00 C ATOM 853 CD LYS A 55 -6.237 1.528 -11.161 1.00 0.00 C ATOM 854 CE LYS A 55 -7.058 2.640 -10.508 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.786 3.957 -11.112 1.00 0.00 N ATOM 0 H LYS A 55 -4.729 -1.882 -8.941 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.367 0.830 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.704 -0.903 -8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.890 0.835 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.976 -0.614 -11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.619 -0.088 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.176 1.731 -11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.419 1.529 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.119 2.410 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.834 2.677 -9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.094 4.708 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.766 4.052 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.305 4.041 -12.009 1.00 0.00 H new ATOM 869 N LEU A 56 -4.816 -0.037 -6.286 1.00 0.00 N ATOM 870 CA LEU A 56 -4.747 0.490 -4.958 1.00 0.00 C ATOM 871 C LEU A 56 -3.346 1.018 -4.678 1.00 0.00 C ATOM 872 O LEU A 56 -3.185 2.038 -4.032 1.00 0.00 O ATOM 873 CB LEU A 56 -5.202 -0.516 -3.907 1.00 0.00 C ATOM 874 CG LEU A 56 -5.406 0.081 -2.498 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.352 1.275 -2.541 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.964 -0.947 -1.564 1.00 0.00 C ATOM 0 H LEU A 56 -4.889 -1.052 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.447 1.323 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.138 -0.968 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.465 -1.317 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.431 0.409 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.478 1.676 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.936 2.046 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.320 0.958 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.100 -0.506 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.925 -1.297 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.274 -1.788 -1.494 1.00 0.00 H new ATOM 888 N ALA A 57 -2.342 0.346 -5.239 1.00 0.00 N ATOM 889 CA ALA A 57 -0.940 0.778 -5.135 1.00 0.00 C ATOM 890 C ALA A 57 -0.785 2.180 -5.727 1.00 0.00 C ATOM 891 O ALA A 57 -0.054 3.032 -5.207 1.00 0.00 O ATOM 892 CB ALA A 57 -0.048 -0.193 -5.897 1.00 0.00 C ATOM 0 H ALA A 57 -2.471 -0.511 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.648 0.794 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.990 0.129 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.151 -1.192 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.344 -0.212 -6.946 1.00 0.00 H new ATOM 898 N GLU A 58 -1.529 2.409 -6.782 1.00 0.00 N ATOM 899 CA GLU A 58 -1.542 3.654 -7.504 1.00 0.00 C ATOM 900 C GLU A 58 -2.187 4.763 -6.632 1.00 0.00 C ATOM 901 O GLU A 58 -1.871 5.940 -6.756 1.00 0.00 O ATOM 902 CB GLU A 58 -2.326 3.428 -8.795 1.00 0.00 C ATOM 903 CG GLU A 58 -2.296 4.555 -9.789 1.00 0.00 C ATOM 904 CD GLU A 58 -3.116 4.227 -11.005 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.625 3.524 -11.911 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.261 4.661 -11.086 1.00 0.00 O ATOM 0 H GLU A 58 -2.161 1.710 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.531 3.982 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.939 2.532 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.365 3.226 -8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.677 5.464 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.266 4.756 -10.085 1.00 0.00 H new ATOM 913 N ILE A 59 -3.060 4.358 -5.735 1.00 0.00 N ATOM 914 CA ILE A 59 -3.718 5.267 -4.818 1.00 0.00 C ATOM 915 C ILE A 59 -2.816 5.546 -3.591 1.00 0.00 C ATOM 916 O ILE A 59 -2.901 6.605 -2.966 1.00 0.00 O ATOM 917 CB ILE A 59 -5.104 4.695 -4.428 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.933 4.574 -5.706 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.818 5.601 -3.419 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.088 3.637 -5.618 1.00 0.00 C ATOM 0 H ILE A 59 -3.336 3.383 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.885 6.229 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.978 3.722 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.305 5.562 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.280 4.248 -6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.787 5.171 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.213 5.688 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.962 6.589 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.615 3.618 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.727 2.636 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.768 3.971 -4.834 1.00 0.00 H new ATOM 932 N LEU A 60 -1.924 4.615 -3.280 1.00 0.00 N ATOM 933 CA LEU A 60 -0.928 4.858 -2.229 1.00 0.00 C ATOM 934 C LEU A 60 0.031 5.964 -2.667 1.00 0.00 C ATOM 935 O LEU A 60 0.380 6.849 -1.882 1.00 0.00 O ATOM 936 CB LEU A 60 -0.131 3.583 -1.836 1.00 0.00 C ATOM 937 CG LEU A 60 -0.728 2.642 -0.751 1.00 0.00 C ATOM 938 CD1 LEU A 60 -0.892 3.363 0.577 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.041 2.023 -1.183 1.00 0.00 C ATOM 0 H LEU A 60 -1.864 3.700 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.476 5.169 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.019 2.993 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.855 3.900 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.013 1.830 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.311 2.678 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.080 3.716 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.562 4.213 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.416 1.375 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.767 2.811 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.886 1.436 -2.089 1.00 0.00 H new ATOM 951 N VAL A 61 0.415 5.942 -3.946 1.00 0.00 N ATOM 952 CA VAL A 61 1.321 6.962 -4.484 1.00 0.00 C ATOM 953 C VAL A 61 0.561 8.247 -4.832 1.00 0.00 C ATOM 954 O VAL A 61 1.161 9.260 -5.198 1.00 0.00 O ATOM 955 CB VAL A 61 2.135 6.472 -5.725 1.00 0.00 C ATOM 956 CG1 VAL A 61 2.928 5.214 -5.401 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.243 6.253 -6.937 1.00 0.00 C ATOM 0 H VAL A 61 0.117 5.238 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 61 2.040 7.169 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 61 2.841 7.263 -5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.484 4.897 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.624 5.422 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.244 4.421 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.848 5.913 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.490 5.500 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.750 7.189 -7.200 1.00 0.00 H new ATOM 967 N ASN A 62 -0.754 8.193 -4.706 1.00 0.00 N ATOM 968 CA ASN A 62 -1.632 9.341 -4.957 1.00 0.00 C ATOM 969 C ASN A 62 -1.458 10.374 -3.856 1.00 0.00 C ATOM 970 O ASN A 62 -1.596 11.583 -4.074 1.00 0.00 O ATOM 971 CB ASN A 62 -3.114 8.881 -5.014 1.00 0.00 C ATOM 972 CG ASN A 62 -4.136 10.016 -5.044 1.00 0.00 C ATOM 973 OD1 ASN A 62 -4.587 10.499 -3.998 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.547 10.402 -6.211 1.00 0.00 N ATOM 0 H ASN A 62 -1.253 7.349 -4.425 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.363 9.786 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.254 8.262 -5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.318 8.250 -4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.263 11.125 -6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.154 9.983 -7.054 1.00 0.00 H new ATOM 981 N THR A 63 -1.132 9.900 -2.688 1.00 0.00 N ATOM 982 CA THR A 63 -1.015 10.750 -1.554 1.00 0.00 C ATOM 983 C THR A 63 0.404 10.869 -1.037 1.00 0.00 C ATOM 984 O THR A 63 1.067 11.895 -1.215 1.00 0.00 O ATOM 985 CB THR A 63 -1.926 10.239 -0.438 1.00 0.00 C ATOM 986 OG1 THR A 63 -1.801 8.806 -0.335 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.351 10.611 -0.713 1.00 0.00 C ATOM 0 H THR A 63 -0.942 8.915 -2.502 1.00 0.00 H new ATOM 0 HA THR A 63 -1.317 11.747 -1.874 1.00 0.00 H new ATOM 0 HB THR A 63 -1.626 10.699 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.383 8.477 0.381 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.986 10.239 0.091 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.439 11.696 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.667 10.169 -1.658 1.00 0.00 H new ATOM 995 N SER A 64 0.872 9.816 -0.450 1.00 0.00 N ATOM 996 CA SER A 64 2.103 9.836 0.265 1.00 0.00 C ATOM 997 C SER A 64 3.320 9.710 -0.629 1.00 0.00 C ATOM 998 O SER A 64 3.240 9.245 -1.776 1.00 0.00 O ATOM 999 CB SER A 64 2.081 8.735 1.293 1.00 0.00 C ATOM 1000 OG SER A 64 0.943 8.869 2.116 1.00 0.00 O ATOM 0 H SER A 64 0.405 8.909 -0.454 1.00 0.00 H new ATOM 0 HA SER A 64 2.192 10.810 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.070 7.764 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.986 8.774 1.900 1.00 0.00 H new ATOM 0 HG SER A 64 1.046 8.304 2.910 1.00 0.00 H new ATOM 1006 N SER A 65 4.431 10.161 -0.109 1.00 0.00 N ATOM 1007 CA SER A 65 5.692 10.038 -0.761 1.00 0.00 C ATOM 1008 C SER A 65 6.204 8.614 -0.518 1.00 0.00 C ATOM 1009 O SER A 65 5.810 7.978 0.483 1.00 0.00 O ATOM 1010 CB SER A 65 6.626 11.092 -0.186 1.00 0.00 C ATOM 1011 OG SER A 65 6.001 12.369 -0.252 1.00 0.00 O ATOM 0 H SER A 65 4.477 10.631 0.795 1.00 0.00 H new ATOM 0 HA SER A 65 5.624 10.200 -1.837 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.873 10.849 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.563 11.105 -0.743 1.00 0.00 H new ATOM 0 HG SER A 65 6.603 13.047 0.120 1.00 0.00 H new ATOM 1017 N GLU A 66 7.066 8.116 -1.392 1.00 0.00 N ATOM 1018 CA GLU A 66 7.495 6.720 -1.349 1.00 0.00 C ATOM 1019 C GLU A 66 8.173 6.348 -0.015 1.00 0.00 C ATOM 1020 O GLU A 66 8.022 5.231 0.490 1.00 0.00 O ATOM 1021 CB GLU A 66 8.319 6.343 -2.624 1.00 0.00 C ATOM 1022 CG GLU A 66 9.681 7.005 -2.817 1.00 0.00 C ATOM 1023 CD GLU A 66 10.757 6.392 -1.961 1.00 0.00 C ATOM 1024 OE1 GLU A 66 10.979 5.174 -2.051 1.00 0.00 O ATOM 1025 OE2 GLU A 66 11.430 7.109 -1.203 1.00 0.00 O ATOM 0 H GLU A 66 7.486 8.660 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 66 6.604 6.093 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.470 5.264 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.708 6.574 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.971 6.930 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.599 8.067 -2.584 1.00 0.00 H new ATOM 1032 N ASN A 67 8.815 7.318 0.591 1.00 0.00 N ATOM 1033 CA ASN A 67 9.498 7.128 1.866 1.00 0.00 C ATOM 1034 C ASN A 67 8.505 6.883 3.004 1.00 0.00 C ATOM 1035 O ASN A 67 8.834 6.233 3.989 1.00 0.00 O ATOM 1036 CB ASN A 67 10.426 8.321 2.172 1.00 0.00 C ATOM 1037 CG ASN A 67 11.184 8.202 3.493 1.00 0.00 C ATOM 1038 OD1 ASN A 67 12.267 7.622 3.549 1.00 0.00 O ATOM 1039 ND2 ASN A 67 10.664 8.784 4.535 1.00 0.00 N ATOM 0 H ASN A 67 8.884 8.266 0.220 1.00 0.00 H new ATOM 0 HA ASN A 67 10.117 6.235 1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.147 8.424 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.832 9.234 2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.157 8.766 5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.764 9.258 4.458 1.00 0.00 H new ATOM 1046 N TRP A 68 7.292 7.362 2.858 1.00 0.00 N ATOM 1047 CA TRP A 68 6.305 7.116 3.872 1.00 0.00 C ATOM 1048 C TRP A 68 5.507 5.857 3.516 1.00 0.00 C ATOM 1049 O TRP A 68 5.109 5.093 4.391 1.00 0.00 O ATOM 1050 CB TRP A 68 5.371 8.325 4.094 1.00 0.00 C ATOM 1051 CG TRP A 68 4.451 8.113 5.264 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.700 8.421 6.567 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.152 7.516 5.240 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.647 8.028 7.351 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.684 7.479 6.556 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.347 7.008 4.232 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.449 6.949 6.886 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.125 6.490 4.559 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.689 6.462 5.878 1.00 0.00 C ATOM 0 H TRP A 68 6.973 7.913 2.062 1.00 0.00 H new ATOM 0 HA TRP A 68 6.826 6.958 4.816 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.969 9.221 4.260 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.781 8.498 3.194 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.596 8.904 6.929 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.592 8.130 8.364 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.680 7.021 3.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.105 6.925 7.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.489 6.096 3.780 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.280 6.041 6.104 1.00 0.00 H new ATOM 1070 N ILE A 69 5.315 5.617 2.222 1.00 0.00 N ATOM 1071 CA ILE A 69 4.559 4.438 1.754 1.00 0.00 C ATOM 1072 C ILE A 69 5.233 3.145 2.206 1.00 0.00 C ATOM 1073 O ILE A 69 4.561 2.139 2.491 1.00 0.00 O ATOM 1074 CB ILE A 69 4.399 4.418 0.217 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.701 5.696 -0.244 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.587 3.189 -0.214 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.591 5.832 -1.740 1.00 0.00 C ATOM 0 H ILE A 69 5.667 6.215 1.474 1.00 0.00 H new ATOM 0 HA ILE A 69 3.567 4.510 2.199 1.00 0.00 H new ATOM 0 HB ILE A 69 5.385 4.363 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.700 5.726 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.244 6.556 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.481 3.185 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.103 2.283 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.600 3.225 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.084 6.765 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.589 5.836 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.021 4.994 -2.141 1.00 0.00 H new ATOM 1089 N ARG A 70 6.557 3.188 2.320 1.00 0.00 N ATOM 1090 CA ARG A 70 7.316 2.039 2.782 1.00 0.00 C ATOM 1091 C ARG A 70 6.983 1.709 4.251 1.00 0.00 C ATOM 1092 O ARG A 70 7.283 0.643 4.727 1.00 0.00 O ATOM 1093 CB ARG A 70 8.831 2.236 2.592 1.00 0.00 C ATOM 1094 CG ARG A 70 9.461 3.321 3.438 1.00 0.00 C ATOM 1095 CD ARG A 70 10.965 3.293 3.283 1.00 0.00 C ATOM 1096 NE ARG A 70 11.634 4.445 3.892 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.808 4.399 4.540 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.277 3.240 5.009 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.466 5.516 4.785 1.00 0.00 N ATOM 0 H ARG A 70 7.123 4.007 2.098 1.00 0.00 H new ATOM 0 HA ARG A 70 7.020 1.190 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.332 1.293 2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.021 2.462 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.075 4.296 3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.193 3.179 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.352 2.378 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.213 3.257 2.222 1.00 0.00 H new ATOM 0 HE ARG A 70 11.172 5.351 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.742 2.382 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.170 3.213 5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.082 6.411 4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.359 5.484 5.277 1.00 0.00 H new ATOM 1113 N ASN A 71 6.375 2.650 4.937 1.00 0.00 N ATOM 1114 CA ASN A 71 5.911 2.457 6.307 1.00 0.00 C ATOM 1115 C ASN A 71 4.458 2.003 6.275 1.00 0.00 C ATOM 1116 O ASN A 71 4.104 0.997 6.884 1.00 0.00 O ATOM 1117 CB ASN A 71 6.042 3.781 7.098 1.00 0.00 C ATOM 1118 CG ASN A 71 5.352 3.788 8.470 1.00 0.00 C ATOM 1119 OD1 ASN A 71 5.242 2.763 9.160 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.861 4.947 8.859 1.00 0.00 N ATOM 0 H ASN A 71 6.184 3.580 4.564 1.00 0.00 H new ATOM 0 HA ASN A 71 6.518 1.698 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.101 3.999 7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.628 4.589 6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.373 5.020 9.752 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.969 5.771 8.267 1.00 0.00 H new ATOM 1127 N ALA A 72 3.648 2.739 5.505 1.00 0.00 N ATOM 1128 CA ALA A 72 2.196 2.519 5.365 1.00 0.00 C ATOM 1129 C ALA A 72 1.841 1.073 5.124 1.00 0.00 C ATOM 1130 O ALA A 72 1.288 0.397 5.985 1.00 0.00 O ATOM 1131 CB ALA A 72 1.673 3.310 4.187 1.00 0.00 C ATOM 0 H ALA A 72 3.987 3.523 4.948 1.00 0.00 H new ATOM 0 HA ALA A 72 1.747 2.838 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.600 3.146 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.864 4.371 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.177 2.984 3.277 1.00 0.00 H new ATOM 1137 N THR A 73 2.171 0.635 3.949 1.00 0.00 N ATOM 1138 CA THR A 73 1.909 -0.625 3.443 1.00 0.00 C ATOM 1139 C THR A 73 2.433 -1.730 4.355 1.00 0.00 C ATOM 1140 O THR A 73 1.683 -2.624 4.700 1.00 0.00 O ATOM 1141 CB THR A 73 2.570 -0.621 2.088 1.00 0.00 C ATOM 1142 OG1 THR A 73 2.263 0.646 1.481 1.00 0.00 O ATOM 1143 CG2 THR A 73 2.010 -1.684 1.255 1.00 0.00 C ATOM 0 H THR A 73 2.673 1.221 3.282 1.00 0.00 H new ATOM 0 HA THR A 73 0.841 -0.833 3.372 1.00 0.00 H new ATOM 0 HB THR A 73 3.644 -0.778 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.920 0.500 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.493 -1.674 0.278 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.179 -2.649 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.939 -1.523 1.132 1.00 0.00 H new ATOM 1151 N VAL A 74 3.671 -1.620 4.803 1.00 0.00 N ATOM 1152 CA VAL A 74 4.253 -2.622 5.698 1.00 0.00 C ATOM 1153 C VAL A 74 3.400 -2.758 6.971 1.00 0.00 C ATOM 1154 O VAL A 74 3.072 -3.858 7.401 1.00 0.00 O ATOM 1155 CB VAL A 74 5.719 -2.261 6.063 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.257 -3.152 7.166 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.603 -2.377 4.835 1.00 0.00 C ATOM 0 H VAL A 74 4.297 -0.851 4.566 1.00 0.00 H new ATOM 0 HA VAL A 74 4.262 -3.579 5.177 1.00 0.00 H new ATOM 0 HB VAL A 74 5.726 -1.233 6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.285 -2.869 7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.643 -3.037 8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.231 -4.192 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.629 -2.122 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.569 -3.399 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.247 -1.693 4.064 1.00 0.00 H new ATOM 1167 N ASN A 75 3.010 -1.630 7.513 1.00 0.00 N ATOM 1168 CA ASN A 75 2.147 -1.565 8.687 1.00 0.00 C ATOM 1169 C ASN A 75 0.802 -2.227 8.398 1.00 0.00 C ATOM 1170 O ASN A 75 0.302 -2.995 9.206 1.00 0.00 O ATOM 1171 CB ASN A 75 1.962 -0.093 9.086 1.00 0.00 C ATOM 1172 CG ASN A 75 0.992 0.148 10.230 1.00 0.00 C ATOM 1173 OD1 ASN A 75 0.791 -0.704 11.102 1.00 0.00 O ATOM 1174 ND2 ASN A 75 0.413 1.329 10.261 1.00 0.00 N ATOM 0 H ASN A 75 3.282 -0.715 7.153 1.00 0.00 H new ATOM 0 HA ASN A 75 2.608 -2.105 9.514 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.933 0.317 9.361 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.617 0.463 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.224 1.565 11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.602 2.009 9.524 1.00 0.00 H new ATOM 1181 N ILE A 76 0.245 -1.956 7.235 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.036 -2.548 6.853 1.00 0.00 C ATOM 1183 C ILE A 76 -0.914 -4.076 6.706 1.00 0.00 C ATOM 1184 O ILE A 76 -1.727 -4.814 7.255 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.633 -1.955 5.545 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.711 -0.422 5.610 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.029 -2.527 5.319 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.655 0.127 6.651 1.00 0.00 C ATOM 0 H ILE A 76 0.651 -1.334 6.536 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.722 -2.301 7.663 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.978 -2.227 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.712 -0.031 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.015 -0.047 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.448 -2.112 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.968 -3.612 5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.670 -2.267 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.639 1.216 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.666 -0.228 6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.343 -0.211 7.639 1.00 0.00 H new ATOM 1200 N LEU A 77 0.117 -4.556 6.003 1.00 0.00 N ATOM 1201 CA LEU A 77 0.286 -6.003 5.846 1.00 0.00 C ATOM 1202 C LEU A 77 0.588 -6.680 7.176 1.00 0.00 C ATOM 1203 O LEU A 77 0.109 -7.783 7.443 1.00 0.00 O ATOM 1204 CB LEU A 77 1.311 -6.425 4.779 1.00 0.00 C ATOM 1205 CG LEU A 77 0.930 -6.219 3.299 1.00 0.00 C ATOM 1206 CD1 LEU A 77 1.167 -4.825 2.825 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.611 -7.233 2.412 1.00 0.00 C ATOM 0 H LEU A 77 0.827 -3.984 5.546 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.679 -6.349 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.235 -5.878 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.531 -7.483 4.925 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.146 -6.381 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.880 -4.743 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.571 -4.132 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.223 -4.579 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.322 -7.061 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.692 -7.133 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.311 -8.237 2.711 1.00 0.00 H new ATOM 1219 N GLU A 78 1.348 -6.009 8.017 1.00 0.00 N ATOM 1220 CA GLU A 78 1.623 -6.486 9.366 1.00 0.00 C ATOM 1221 C GLU A 78 0.377 -6.427 10.252 1.00 0.00 C ATOM 1222 O GLU A 78 0.260 -7.153 11.240 1.00 0.00 O ATOM 1223 CB GLU A 78 2.815 -5.744 9.979 1.00 0.00 C ATOM 1224 CG GLU A 78 4.152 -6.380 9.614 1.00 0.00 C ATOM 1225 CD GLU A 78 5.349 -5.647 10.163 1.00 0.00 C ATOM 1226 OE1 GLU A 78 5.313 -5.176 11.327 1.00 0.00 O ATOM 1227 OE2 GLU A 78 6.365 -5.553 9.475 1.00 0.00 O ATOM 0 H GLU A 78 1.793 -5.120 7.790 1.00 0.00 H new ATOM 0 HA GLU A 78 1.901 -7.538 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.806 -4.708 9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.709 -5.727 11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.167 -7.406 9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.235 -6.429 8.528 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.562 -5.594 9.881 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.819 -5.519 10.577 1.00 0.00 C ATOM 1236 C GLU A 79 -2.711 -6.668 10.081 1.00 0.00 C ATOM 1237 O GLU A 79 -3.563 -7.187 10.810 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.489 -4.165 10.331 1.00 0.00 C ATOM 1239 CG GLU A 79 -3.552 -3.818 11.345 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.989 -3.640 12.726 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.790 -4.639 13.444 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -2.764 -2.490 13.139 1.00 0.00 O ATOM 0 H GLU A 79 -0.477 -4.953 9.092 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.659 -5.613 11.651 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.726 -3.386 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.935 -4.166 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.056 -2.901 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.306 -4.605 11.361 1.00 0.00 H new ATOM 1249 N MET A 80 -2.466 -7.095 8.844 1.00 0.00 N ATOM 1250 CA MET A 80 -3.192 -8.213 8.245 1.00 0.00 C ATOM 1251 C MET A 80 -2.559 -9.531 8.648 1.00 0.00 C ATOM 1252 O MET A 80 -3.045 -10.601 8.274 1.00 0.00 O ATOM 1253 CB MET A 80 -3.215 -8.133 6.708 1.00 0.00 C ATOM 1254 CG MET A 80 -3.915 -6.919 6.136 1.00 0.00 C ATOM 1255 SD MET A 80 -4.026 -6.940 4.335 1.00 0.00 S ATOM 1256 CE MET A 80 -5.054 -8.386 4.075 1.00 0.00 C ATOM 0 H MET A 80 -1.764 -6.679 8.232 1.00 0.00 H new ATOM 0 HA MET A 80 -4.216 -8.154 8.613 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.188 -8.145 6.344 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.701 -9.029 6.321 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.920 -6.857 6.554 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.383 -6.021 6.450 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.389 -8.412 3.038 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.479 -9.286 4.293 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.920 -8.340 4.735 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.447 -9.437 9.395 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.655 -10.596 9.849 1.00 0.00 C ATOM 1268 C ASN A 81 -0.064 -11.319 8.622 1.00 0.00 C ATOM 1269 O ASN A 81 0.288 -12.492 8.651 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.518 -11.539 10.742 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.741 -12.702 11.368 1.00 0.00 C ATOM 1272 OD1 ASN A 81 0.469 -12.613 11.636 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -1.423 -13.793 11.605 1.00 0.00 N ATOM 0 H ASN A 81 -1.066 -8.543 9.706 1.00 0.00 H new ATOM 0 HA ASN A 81 0.174 -10.258 10.471 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.972 -10.950 11.539 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.333 -11.944 10.141 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.962 -14.602 12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.416 -13.834 11.373 1.00 0.00 H new ATOM 1280 N LEU A 82 0.099 -10.568 7.553 1.00 0.00 N ATOM 1281 CA LEU A 82 0.630 -11.084 6.312 1.00 0.00 C ATOM 1282 C LEU A 82 2.122 -10.967 6.278 1.00 0.00 C ATOM 1283 O LEU A 82 2.685 -10.263 5.455 1.00 0.00 O ATOM 1284 CB LEU A 82 0.001 -10.398 5.105 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.429 -10.788 4.784 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.899 -10.070 3.532 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.524 -12.291 4.604 1.00 0.00 C ATOM 0 H LEU A 82 -0.135 -9.576 7.522 1.00 0.00 H new ATOM 0 HA LEU A 82 0.371 -12.142 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.034 -9.321 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.618 -10.608 4.231 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.074 -10.493 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.927 -10.358 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.850 -8.993 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.258 -10.343 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.553 -12.566 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.874 -12.601 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.213 -12.788 5.523 1.00 0.00 H new ATOM 1299 N THR A 83 2.737 -11.693 7.149 1.00 0.00 N ATOM 1300 CA THR A 83 4.158 -11.659 7.368 1.00 0.00 C ATOM 1301 C THR A 83 4.952 -12.048 6.140 1.00 0.00 C ATOM 1302 O THR A 83 5.743 -11.264 5.655 1.00 0.00 O ATOM 1303 CB THR A 83 4.492 -12.585 8.518 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.633 -13.737 8.420 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.284 -11.890 9.841 1.00 0.00 C ATOM 0 H THR A 83 2.252 -12.355 7.755 1.00 0.00 H new ATOM 0 HA THR A 83 4.437 -10.632 7.603 1.00 0.00 H new ATOM 0 HB THR A 83 5.539 -12.884 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.830 -14.356 9.154 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.530 -12.574 10.654 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.929 -11.013 9.897 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.243 -11.581 9.930 1.00 0.00 H new ATOM 1313 N GLU A 84 4.685 -13.237 5.638 1.00 0.00 N ATOM 1314 CA GLU A 84 5.370 -13.840 4.488 1.00 0.00 C ATOM 1315 C GLU A 84 5.720 -12.833 3.361 1.00 0.00 C ATOM 1316 O GLU A 84 6.907 -12.624 3.055 1.00 0.00 O ATOM 1317 CB GLU A 84 4.533 -15.013 3.952 1.00 0.00 C ATOM 1318 CG GLU A 84 3.047 -14.681 3.780 1.00 0.00 C ATOM 1319 CD GLU A 84 2.225 -15.828 3.252 1.00 0.00 C ATOM 1320 OE1 GLU A 84 1.727 -16.638 4.061 1.00 0.00 O ATOM 1321 OE2 GLU A 84 2.029 -15.919 2.027 1.00 0.00 O ATOM 0 H GLU A 84 3.960 -13.840 6.027 1.00 0.00 H new ATOM 0 HA GLU A 84 6.333 -14.204 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.939 -15.329 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.631 -15.859 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.641 -14.367 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.950 -13.834 3.101 1.00 0.00 H new ATOM 1328 N LEU A 85 4.718 -12.193 2.796 1.00 0.00 N ATOM 1329 CA LEU A 85 4.936 -11.249 1.717 1.00 0.00 C ATOM 1330 C LEU A 85 5.349 -9.868 2.232 1.00 0.00 C ATOM 1331 O LEU A 85 6.111 -9.167 1.584 1.00 0.00 O ATOM 1332 CB LEU A 85 3.738 -11.157 0.724 1.00 0.00 C ATOM 1333 CG LEU A 85 2.366 -10.652 1.236 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.453 -10.358 0.061 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.685 -11.673 2.131 1.00 0.00 C ATOM 0 H LEU A 85 3.741 -12.309 3.066 1.00 0.00 H new ATOM 0 HA LEU A 85 5.773 -11.649 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.041 -10.506 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.585 -12.150 0.302 1.00 0.00 H new ATOM 0 HG LEU A 85 2.551 -9.748 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.490 -10.003 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.906 -9.592 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.306 -11.267 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.726 -11.279 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.523 -12.595 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.317 -11.878 2.995 1.00 0.00 H new ATOM 1347 N CYS A 86 4.899 -9.499 3.422 1.00 0.00 N ATOM 1348 CA CYS A 86 5.249 -8.194 3.992 1.00 0.00 C ATOM 1349 C CYS A 86 6.745 -8.141 4.287 1.00 0.00 C ATOM 1350 O CYS A 86 7.383 -7.111 4.167 1.00 0.00 O ATOM 1351 CB CYS A 86 4.475 -7.949 5.268 1.00 0.00 C ATOM 1352 SG CYS A 86 4.692 -6.301 5.975 1.00 0.00 S ATOM 0 H CYS A 86 4.297 -10.074 4.011 1.00 0.00 H new ATOM 0 HA CYS A 86 4.992 -7.420 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.415 -8.109 5.071 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.777 -8.690 6.008 1.00 0.00 H new ATOM 0 HG CYS A 86 5.698 -5.711 5.400 1.00 0.00 H new ATOM 1358 N LYS A 87 7.297 -9.265 4.643 1.00 0.00 N ATOM 1359 CA LYS A 87 8.705 -9.378 4.907 1.00 0.00 C ATOM 1360 C LYS A 87 9.519 -9.304 3.625 1.00 0.00 C ATOM 1361 O LYS A 87 10.719 -9.060 3.657 1.00 0.00 O ATOM 1362 CB LYS A 87 8.966 -10.629 5.699 1.00 0.00 C ATOM 1363 CG LYS A 87 8.380 -10.537 7.102 1.00 0.00 C ATOM 1364 CD LYS A 87 8.385 -11.860 7.832 1.00 0.00 C ATOM 1365 CE LYS A 87 9.748 -12.491 7.808 1.00 0.00 C ATOM 1366 NZ LYS A 87 9.911 -13.511 8.854 1.00 0.00 N ATOM 0 H LYS A 87 6.780 -10.136 4.760 1.00 0.00 H new ATOM 0 HA LYS A 87 9.031 -8.530 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.536 -11.485 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.040 -10.802 5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.948 -9.807 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.357 -10.167 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.070 -11.709 8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.662 -12.534 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.918 -12.945 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.506 -11.718 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.867 -13.917 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.775 -13.075 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.206 -14.264 8.718 1.00 0.00 H new ATOM 1380 N MET A 88 8.859 -9.502 2.497 1.00 0.00 N ATOM 1381 CA MET A 88 9.486 -9.278 1.213 1.00 0.00 C ATOM 1382 C MET A 88 9.451 -7.800 0.946 1.00 0.00 C ATOM 1383 O MET A 88 10.402 -7.236 0.498 1.00 0.00 O ATOM 1384 CB MET A 88 8.798 -10.044 0.083 1.00 0.00 C ATOM 1385 CG MET A 88 8.986 -11.544 0.144 1.00 0.00 C ATOM 1386 SD MET A 88 10.711 -12.037 -0.048 1.00 0.00 S ATOM 1387 CE MET A 88 10.547 -13.822 -0.011 1.00 0.00 C ATOM 0 H MET A 88 7.890 -9.817 2.448 1.00 0.00 H new ATOM 0 HA MET A 88 10.511 -9.648 1.246 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.731 -9.822 0.106 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.179 -9.680 -0.871 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.610 -11.915 1.098 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.389 -12.013 -0.638 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.530 -14.280 -0.119 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.106 -14.127 0.938 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.905 -14.145 -0.830 1.00 0.00 H new ATOM 1397 N ALA A 89 8.342 -7.166 1.320 1.00 0.00 N ATOM 1398 CA ALA A 89 8.174 -5.715 1.205 1.00 0.00 C ATOM 1399 C ALA A 89 9.287 -4.990 1.964 1.00 0.00 C ATOM 1400 O ALA A 89 9.882 -4.042 1.473 1.00 0.00 O ATOM 1401 CB ALA A 89 6.832 -5.298 1.785 1.00 0.00 C ATOM 0 H ALA A 89 7.531 -7.643 1.713 1.00 0.00 H new ATOM 0 HA ALA A 89 8.219 -5.448 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.717 -4.218 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.030 -5.795 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.786 -5.581 2.837 1.00 0.00 H new ATOM 1407 N LYS A 90 9.595 -5.483 3.136 1.00 0.00 N ATOM 1408 CA LYS A 90 10.634 -4.894 3.989 1.00 0.00 C ATOM 1409 C LYS A 90 12.037 -5.224 3.457 1.00 0.00 C ATOM 1410 O LYS A 90 13.045 -4.742 3.969 1.00 0.00 O ATOM 1411 CB LYS A 90 10.451 -5.392 5.423 1.00 0.00 C ATOM 1412 CG LYS A 90 9.043 -5.142 5.935 1.00 0.00 C ATOM 1413 CD LYS A 90 8.760 -5.778 7.283 1.00 0.00 C ATOM 1414 CE LYS A 90 9.459 -5.078 8.432 1.00 0.00 C ATOM 1415 NZ LYS A 90 9.023 -5.648 9.722 1.00 0.00 N ATOM 0 H LYS A 90 9.142 -6.303 3.539 1.00 0.00 H new ATOM 0 HA LYS A 90 10.535 -3.809 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.669 -6.459 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.168 -4.893 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.879 -4.067 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.328 -5.524 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.685 -5.771 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.073 -6.822 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.539 -5.182 8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.238 -4.011 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.583 -5.231 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.016 -5.437 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.163 -6.678 9.711 1.00 0.00 H new ATOM 1429 N ALA A 91 12.084 -6.023 2.424 1.00 0.00 N ATOM 1430 CA ALA A 91 13.318 -6.412 1.796 1.00 0.00 C ATOM 1431 C ALA A 91 13.356 -5.919 0.342 1.00 0.00 C ATOM 1432 O ALA A 91 14.323 -6.174 -0.385 1.00 0.00 O ATOM 1433 CB ALA A 91 13.451 -7.937 1.854 1.00 0.00 C ATOM 0 H ALA A 91 11.254 -6.427 1.989 1.00 0.00 H new ATOM 0 HA ALA A 91 14.156 -5.959 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.385 -8.239 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.450 -8.263 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.613 -8.396 1.330 1.00 0.00 H new ATOM 1439 N GLU A 92 12.305 -5.205 -0.079 1.00 0.00 N ATOM 1440 CA GLU A 92 12.183 -4.766 -1.473 1.00 0.00 C ATOM 1441 C GLU A 92 11.692 -3.346 -1.600 1.00 0.00 C ATOM 1442 O GLU A 92 12.294 -2.530 -2.299 1.00 0.00 O ATOM 1443 CB GLU A 92 11.227 -5.679 -2.234 1.00 0.00 C ATOM 1444 CG GLU A 92 11.708 -7.107 -2.320 1.00 0.00 C ATOM 1445 CD GLU A 92 10.935 -7.963 -3.254 1.00 0.00 C ATOM 1446 OE1 GLU A 92 9.790 -8.322 -2.946 1.00 0.00 O ATOM 1447 OE2 GLU A 92 11.502 -8.352 -4.299 1.00 0.00 O ATOM 0 H GLU A 92 11.532 -4.921 0.522 1.00 0.00 H new ATOM 0 HA GLU A 92 13.186 -4.817 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.252 -5.660 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.087 -5.288 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.753 -7.107 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.670 -7.550 -1.325 1.00 0.00 H new ATOM 1454 N MET A 93 10.603 -3.059 -0.922 1.00 0.00 N ATOM 1455 CA MET A 93 9.946 -1.776 -1.016 1.00 0.00 C ATOM 1456 C MET A 93 10.784 -0.744 -0.310 1.00 0.00 C ATOM 1457 O MET A 93 10.882 0.410 -0.727 1.00 0.00 O ATOM 1458 CB MET A 93 8.577 -1.843 -0.366 1.00 0.00 C ATOM 1459 CG MET A 93 7.630 -0.823 -0.891 1.00 0.00 C ATOM 1460 SD MET A 93 6.133 -0.677 0.098 1.00 0.00 S ATOM 1461 CE MET A 93 5.441 -2.305 -0.127 1.00 0.00 C ATOM 0 H MET A 93 10.146 -3.713 -0.287 1.00 0.00 H new ATOM 0 HA MET A 93 9.827 -1.507 -2.066 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.155 -2.836 -0.523 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.686 -1.709 0.710 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.130 0.145 -0.927 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.359 -1.080 -1.915 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.594 -2.437 0.546 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.106 -2.419 -1.158 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.199 -3.056 0.093 1.00 0.00 H new