USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot 112:sc= 0.593 USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot -81:sc= -0.0573 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -1.91 K(o=-2,f=-6.2!) USER MOD Set 3.1: A 10 HIS : no HE2:sc= -10.2! C(o=-12!,f=-12!) USER MOD Set 3.2: A 13 MET CE :methyl -175:sc= -1.61 (180deg=-1.74!) USER MOD Single : A 9 TYR OH : rot 180:sc=-0.00637 USER MOD Single : A 12 HIS : no HD1:sc= -2.9 X(o=-2.9,f=-3.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00369 X(o=-0.0037,f=-0.022) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 81:sc= -1.37! USER MOD Single : A 36 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.12) USER MOD Single : A 49 SER OG : rot -140:sc= 0.281 USER MOD Single : A 51 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.31) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -46:sc= 2.25 USER MOD Single : A 63 THR OG1 : rot 159:sc= 0.0229 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -2.96 (180deg=-4.16) USER MOD Single : A 75 THR OG1 : rot 150:sc= 1.18 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 19:sc= 0.768 USER MOD Single : A 91 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-4.1!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -89:sc= -1.29 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.35 USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 0.211 7.675 -8.003 1.00 0.00 N ATOM 67 CA TRP A 8 -0.649 6.813 -7.211 1.00 0.00 C ATOM 68 C TRP A 8 -0.865 7.480 -5.851 1.00 0.00 C ATOM 69 O TRP A 8 -1.752 7.085 -5.096 1.00 0.00 O ATOM 70 CB TRP A 8 -0.061 5.405 -7.099 1.00 0.00 C ATOM 71 CG TRP A 8 1.389 5.297 -7.574 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.868 4.596 -8.612 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.538 5.941 -6.984 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.235 4.741 -8.733 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.655 5.585 -7.711 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.630 6.797 -5.872 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.944 6.038 -7.407 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.925 7.240 -5.581 1.00 0.00 C ATOM 79 CH2 TRP A 8 5.060 6.891 -6.303 1.00 0.00 C ATOM 0 HA TRP A 8 -1.618 6.686 -7.694 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.117 5.080 -6.060 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.675 4.718 -7.681 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.260 3.993 -9.271 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.828 4.309 -9.442 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.769 7.089 -5.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.803 5.745 -7.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 4.051 7.900 -4.735 1.00 0.00 H new ATOM 0 HH2 TRP A 8 6.027 7.276 -6.014 1.00 0.00 H new ATOM 90 N TYR A 9 -0.039 8.480 -5.581 1.00 0.00 N ATOM 91 CA TYR A 9 -0.129 9.206 -4.325 1.00 0.00 C ATOM 92 C TYR A 9 -1.469 9.934 -4.207 1.00 0.00 C ATOM 93 O TYR A 9 -1.650 11.007 -4.781 1.00 0.00 O ATOM 94 CB TYR A 9 0.999 10.240 -4.355 1.00 0.00 C ATOM 95 CG TYR A 9 1.126 11.059 -3.068 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.757 10.519 -1.966 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.609 12.337 -3.010 1.00 0.00 C ATOM 98 CE1 TYR A 9 1.877 11.289 -0.756 1.00 0.00 C ATOM 99 CE2 TYR A 9 0.729 13.108 -1.800 1.00 0.00 C ATOM 100 CZ TYR A 9 1.357 12.546 -0.732 1.00 0.00 C ATOM 101 OH TYR A 9 1.470 13.273 0.411 1.00 0.00 O ATOM 0 H TYR A 9 0.695 8.805 -6.210 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.048 8.523 -3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.943 9.728 -4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.833 10.919 -5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.161 9.518 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.114 12.759 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.369 10.878 0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.330 14.110 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 9 1.055 14.151 0.282 1.00 0.00 H new ATOM 111 N HIS A 10 -2.375 9.321 -3.460 1.00 0.00 N ATOM 112 CA HIS A 10 -3.694 9.897 -3.259 1.00 0.00 C ATOM 113 C HIS A 10 -3.593 11.091 -2.307 1.00 0.00 C ATOM 114 O HIS A 10 -4.356 12.049 -2.424 1.00 0.00 O ATOM 115 CB HIS A 10 -4.683 8.835 -2.775 1.00 0.00 C ATOM 116 CG HIS A 10 -4.980 7.762 -3.796 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.039 7.844 -4.683 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.346 6.584 -4.060 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.033 6.759 -5.442 1.00 0.00 C ATOM 120 NE2 HIS A 10 -4.984 5.979 -5.054 1.00 0.00 N ATOM 0 H HIS A 10 -2.222 8.431 -2.986 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.082 10.265 -4.209 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.285 8.366 -1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.616 9.323 -2.494 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.710 8.610 -4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.473 6.207 -3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.736 6.532 -6.230 1.00 0.00 H new ATOM 128 N GLY A 11 -2.645 10.994 -1.386 1.00 0.00 N ATOM 129 CA GLY A 11 -2.435 12.054 -0.415 1.00 0.00 C ATOM 130 C GLY A 11 -2.944 11.640 0.967 1.00 0.00 C ATOM 131 O GLY A 11 -2.770 10.494 1.380 1.00 0.00 O ATOM 0 H GLY A 11 -2.014 10.198 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.374 12.295 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.950 12.958 -0.741 1.00 0.00 H new ATOM 135 N HIS A 12 -3.564 12.595 1.645 1.00 0.00 N ATOM 136 CA HIS A 12 -4.100 12.344 2.972 1.00 0.00 C ATOM 137 C HIS A 12 -5.328 11.438 2.867 1.00 0.00 C ATOM 138 O HIS A 12 -6.455 11.922 2.783 1.00 0.00 O ATOM 139 CB HIS A 12 -4.393 13.659 3.697 1.00 0.00 C ATOM 140 CG HIS A 12 -3.398 13.999 4.780 1.00 0.00 C ATOM 141 ND1 HIS A 12 -3.061 15.301 5.108 1.00 0.00 N ATOM 142 CD2 HIS A 12 -2.671 13.194 5.607 1.00 0.00 C ATOM 143 CE1 HIS A 12 -2.171 15.268 6.088 1.00 0.00 C ATOM 144 NE2 HIS A 12 -1.930 13.962 6.396 1.00 0.00 N ATOM 0 H HIS A 12 -3.707 13.544 1.300 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.357 11.822 3.575 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.410 14.468 2.967 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.389 13.605 4.137 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.694 12.114 5.618 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.716 16.126 6.561 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.286 13.630 7.114 1.00 0.00 H new ATOM 152 N MET A 13 -5.067 10.139 2.874 1.00 0.00 N ATOM 153 CA MET A 13 -6.138 9.161 2.780 1.00 0.00 C ATOM 154 C MET A 13 -6.282 8.379 4.087 1.00 0.00 C ATOM 155 O MET A 13 -5.306 7.832 4.599 1.00 0.00 O ATOM 156 CB MET A 13 -5.844 8.191 1.634 1.00 0.00 C ATOM 157 CG MET A 13 -6.951 7.142 1.506 1.00 0.00 C ATOM 158 SD MET A 13 -6.622 6.075 0.114 1.00 0.00 S ATOM 159 CE MET A 13 -7.403 7.014 -1.188 1.00 0.00 C ATOM 0 H MET A 13 -4.130 9.741 2.943 1.00 0.00 H new ATOM 0 HA MET A 13 -7.072 9.689 2.590 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.752 8.744 0.699 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.888 7.697 1.807 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.012 6.552 2.421 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.916 7.633 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.369 6.446 -2.117 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.441 7.211 -0.922 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.877 7.959 -1.321 1.00 0.00 H new ATOM 169 N SER A 14 -7.507 8.351 4.591 1.00 0.00 N ATOM 170 CA SER A 14 -7.791 7.645 5.829 1.00 0.00 C ATOM 171 C SER A 14 -7.662 6.136 5.612 1.00 0.00 C ATOM 172 O SER A 14 -8.054 5.619 4.567 1.00 0.00 O ATOM 173 CB SER A 14 -9.188 7.988 6.350 1.00 0.00 C ATOM 174 OG SER A 14 -9.667 7.016 7.275 1.00 0.00 O ATOM 0 H SER A 14 -8.314 8.806 4.165 1.00 0.00 H new ATOM 0 HA SER A 14 -7.065 7.962 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.165 8.966 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.880 8.062 5.511 1.00 0.00 H new ATOM 0 HG SER A 14 -10.561 7.272 7.585 1.00 0.00 H new ATOM 180 N GLY A 15 -7.110 5.471 6.617 1.00 0.00 N ATOM 181 CA GLY A 15 -6.923 4.032 6.550 1.00 0.00 C ATOM 182 C GLY A 15 -8.238 3.324 6.214 1.00 0.00 C ATOM 183 O GLY A 15 -8.358 2.697 5.162 1.00 0.00 O ATOM 0 H GLY A 15 -6.786 5.903 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.174 3.794 5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.542 3.666 7.503 1.00 0.00 H new ATOM 187 N GLY A 16 -9.189 3.448 7.127 1.00 0.00 N ATOM 188 CA GLY A 16 -10.490 2.828 6.940 1.00 0.00 C ATOM 189 C GLY A 16 -11.031 3.099 5.535 1.00 0.00 C ATOM 190 O GLY A 16 -11.820 2.317 5.008 1.00 0.00 O ATOM 0 H GLY A 16 -9.085 3.968 7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.411 1.753 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.189 3.211 7.683 1.00 0.00 H new ATOM 194 N GLN A 17 -10.586 4.211 4.969 1.00 0.00 N ATOM 195 CA GLN A 17 -11.015 4.596 3.636 1.00 0.00 C ATOM 196 C GLN A 17 -10.324 3.727 2.584 1.00 0.00 C ATOM 197 O GLN A 17 -10.981 2.976 1.864 1.00 0.00 O ATOM 198 CB GLN A 17 -10.748 6.081 3.381 1.00 0.00 C ATOM 199 CG GLN A 17 -12.011 6.788 2.883 1.00 0.00 C ATOM 200 CD GLN A 17 -11.948 8.289 3.168 1.00 0.00 C ATOM 201 OE1 GLN A 17 -12.155 8.746 4.280 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.651 9.030 2.104 1.00 0.00 N ATOM 0 H GLN A 17 -9.932 4.858 5.410 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.091 4.436 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.400 6.554 4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.952 6.190 2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.126 6.622 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.888 6.359 3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.489 8.584 1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.585 10.044 2.191 1.00 0.00 H new ATOM 211 N ALA A 18 -9.006 3.857 2.527 1.00 0.00 N ATOM 212 CA ALA A 18 -8.219 3.093 1.575 1.00 0.00 C ATOM 213 C ALA A 18 -8.797 1.681 1.459 1.00 0.00 C ATOM 214 O ALA A 18 -9.060 1.203 0.356 1.00 0.00 O ATOM 215 CB ALA A 18 -6.752 3.088 2.013 1.00 0.00 C ATOM 0 H ALA A 18 -8.464 4.480 3.125 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.263 3.550 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.161 2.515 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.381 4.112 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.669 2.634 3.000 1.00 0.00 H new ATOM 221 N GLU A 19 -8.978 1.053 2.612 1.00 0.00 N ATOM 222 CA GLU A 19 -9.520 -0.294 2.653 1.00 0.00 C ATOM 223 C GLU A 19 -10.802 -0.376 1.821 1.00 0.00 C ATOM 224 O GLU A 19 -10.957 -1.278 0.999 1.00 0.00 O ATOM 225 CB GLU A 19 -9.773 -0.740 4.094 1.00 0.00 C ATOM 226 CG GLU A 19 -8.640 -1.637 4.597 1.00 0.00 C ATOM 227 CD GLU A 19 -9.194 -2.867 5.319 1.00 0.00 C ATOM 228 OE1 GLU A 19 -10.089 -3.514 4.733 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.710 -3.133 6.440 1.00 0.00 O ATOM 0 H GLU A 19 -8.759 1.453 3.525 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.785 -0.973 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.863 0.134 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.720 -1.277 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.021 -1.952 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.997 -1.073 5.273 1.00 0.00 H new ATOM 236 N THR A 20 -11.689 0.578 2.064 1.00 0.00 N ATOM 237 CA THR A 20 -12.952 0.625 1.348 1.00 0.00 C ATOM 238 C THR A 20 -12.722 1.010 -0.115 1.00 0.00 C ATOM 239 O THR A 20 -13.348 0.450 -1.014 1.00 0.00 O ATOM 240 CB THR A 20 -13.881 1.587 2.091 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.509 0.773 3.077 1.00 0.00 O ATOM 242 CG2 THR A 20 -15.040 2.074 1.218 1.00 0.00 C ATOM 0 H THR A 20 -11.558 1.324 2.747 1.00 0.00 H new ATOM 0 HA THR A 20 -13.429 -0.355 1.322 1.00 0.00 H new ATOM 0 HB THR A 20 -13.307 2.444 2.444 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.128 1.319 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.668 2.754 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.645 2.596 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.633 1.220 0.891 1.00 0.00 H new ATOM 250 N LEU A 21 -11.823 1.964 -0.308 1.00 0.00 N ATOM 251 CA LEU A 21 -11.502 2.430 -1.646 1.00 0.00 C ATOM 252 C LEU A 21 -10.985 1.256 -2.480 1.00 0.00 C ATOM 253 O LEU A 21 -11.565 0.919 -3.511 1.00 0.00 O ATOM 254 CB LEU A 21 -10.535 3.614 -1.584 1.00 0.00 C ATOM 255 CG LEU A 21 -11.144 4.956 -1.174 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.804 5.292 0.280 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.717 6.068 -2.133 1.00 0.00 C ATOM 0 H LEU A 21 -11.307 2.427 0.440 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.396 2.805 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.737 3.370 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.072 3.732 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.229 4.872 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.249 6.251 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.199 4.515 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.722 5.350 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.164 7.011 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.631 6.160 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.051 5.827 -3.142 1.00 0.00 H new ATOM 269 N LEU A 22 -9.899 0.666 -2.003 1.00 0.00 N ATOM 270 CA LEU A 22 -9.296 -0.462 -2.692 1.00 0.00 C ATOM 271 C LEU A 22 -10.365 -1.526 -2.950 1.00 0.00 C ATOM 272 O LEU A 22 -10.401 -2.128 -4.022 1.00 0.00 O ATOM 273 CB LEU A 22 -8.087 -0.982 -1.913 1.00 0.00 C ATOM 274 CG LEU A 22 -6.791 -0.184 -2.075 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.823 -0.472 -0.926 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.153 -0.446 -3.441 1.00 0.00 C ATOM 0 H LEU A 22 -9.421 0.948 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.911 -0.153 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.345 -1.007 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.898 -2.011 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.036 0.877 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.910 0.107 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.288 -0.195 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.580 -1.534 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.234 0.133 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.924 -1.507 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.846 -0.151 -4.229 1.00 0.00 H new ATOM 288 N GLN A 23 -11.210 -1.725 -1.949 1.00 0.00 N ATOM 289 CA GLN A 23 -12.277 -2.706 -2.054 1.00 0.00 C ATOM 290 C GLN A 23 -13.319 -2.249 -3.076 1.00 0.00 C ATOM 291 O GLN A 23 -13.832 -3.057 -3.849 1.00 0.00 O ATOM 292 CB GLN A 23 -12.921 -2.964 -0.691 1.00 0.00 C ATOM 293 CG GLN A 23 -12.054 -3.895 0.159 1.00 0.00 C ATOM 294 CD GLN A 23 -12.677 -4.116 1.539 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.726 -3.587 1.867 1.00 0.00 O ATOM 296 NE2 GLN A 23 -11.973 -4.925 2.326 1.00 0.00 N ATOM 0 H GLN A 23 -11.177 -1.224 -1.061 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.847 -3.646 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.065 -2.018 -0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.908 -3.406 -0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.937 -4.852 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.057 -3.469 0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.102 -5.335 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.304 -5.136 3.267 1.00 0.00 H new ATOM 305 N ALA A 24 -13.602 -0.955 -3.047 1.00 0.00 N ATOM 306 CA ALA A 24 -14.574 -0.381 -3.962 1.00 0.00 C ATOM 307 C ALA A 24 -14.212 -0.772 -5.396 1.00 0.00 C ATOM 308 O ALA A 24 -15.095 -1.007 -6.220 1.00 0.00 O ATOM 309 CB ALA A 24 -14.625 1.136 -3.767 1.00 0.00 C ATOM 0 H ALA A 24 -13.175 -0.288 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.571 -0.770 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.354 1.567 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.915 1.361 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.642 1.562 -3.968 1.00 0.00 H new ATOM 315 N LYS A 25 -12.913 -0.830 -5.650 1.00 0.00 N ATOM 316 CA LYS A 25 -12.424 -1.189 -6.970 1.00 0.00 C ATOM 317 C LYS A 25 -12.502 -2.708 -7.142 1.00 0.00 C ATOM 318 O LYS A 25 -13.135 -3.198 -8.076 1.00 0.00 O ATOM 319 CB LYS A 25 -11.024 -0.615 -7.197 1.00 0.00 C ATOM 320 CG LYS A 25 -10.871 -0.095 -8.628 1.00 0.00 C ATOM 321 CD LYS A 25 -10.828 1.435 -8.653 1.00 0.00 C ATOM 322 CE LYS A 25 -11.107 1.968 -10.060 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.404 2.678 -10.098 1.00 0.00 N ATOM 0 H LYS A 25 -12.184 -0.634 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.053 -0.748 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.840 0.194 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.276 -1.384 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.958 -0.495 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.702 -0.449 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.565 1.835 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.851 1.781 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.307 2.643 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.116 1.143 -10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.577 3.033 -11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.166 2.024 -9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.382 3.477 -9.433 1.00 0.00 H new ATOM 337 N GLY A 26 -11.849 -3.409 -6.227 1.00 0.00 N ATOM 338 CA GLY A 26 -11.836 -4.861 -6.266 1.00 0.00 C ATOM 339 C GLY A 26 -10.589 -5.379 -6.986 1.00 0.00 C ATOM 340 O GLY A 26 -10.178 -6.520 -6.779 1.00 0.00 O ATOM 0 H GLY A 26 -11.325 -2.998 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.864 -5.256 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.730 -5.223 -6.774 1.00 0.00 H new ATOM 344 N GLU A 27 -10.023 -4.516 -7.817 1.00 0.00 N ATOM 345 CA GLU A 27 -8.832 -4.872 -8.568 1.00 0.00 C ATOM 346 C GLU A 27 -7.800 -5.528 -7.648 1.00 0.00 C ATOM 347 O GLU A 27 -7.293 -4.892 -6.725 1.00 0.00 O ATOM 348 CB GLU A 27 -8.240 -3.648 -9.271 1.00 0.00 C ATOM 349 CG GLU A 27 -8.965 -3.370 -10.590 1.00 0.00 C ATOM 350 CD GLU A 27 -10.203 -2.501 -10.362 1.00 0.00 C ATOM 351 OE1 GLU A 27 -10.782 -2.615 -9.260 1.00 0.00 O ATOM 352 OE2 GLU A 27 -10.543 -1.742 -11.295 1.00 0.00 O ATOM 0 H GLU A 27 -10.368 -3.571 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.113 -5.591 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.316 -2.778 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.179 -3.811 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.288 -2.870 -11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.258 -4.312 -11.054 1.00 0.00 H new ATOM 359 N PRO A 28 -7.512 -6.825 -7.940 1.00 0.00 N ATOM 360 CA PRO A 28 -6.549 -7.573 -7.149 1.00 0.00 C ATOM 361 C PRO A 28 -5.118 -7.145 -7.479 1.00 0.00 C ATOM 362 O PRO A 28 -4.776 -6.954 -8.645 1.00 0.00 O ATOM 363 CB PRO A 28 -6.823 -9.033 -7.476 1.00 0.00 C ATOM 364 CG PRO A 28 -7.607 -9.029 -8.778 1.00 0.00 C ATOM 365 CD PRO A 28 -8.092 -7.610 -9.026 1.00 0.00 C ATOM 0 HA PRO A 28 -6.651 -7.391 -6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.892 -9.591 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.392 -9.512 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.979 -9.367 -9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.451 -9.716 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.764 -7.244 -9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.181 -7.556 -9.016 1.00 0.00 H new ATOM 373 N TRP A 29 -4.319 -7.007 -6.430 1.00 0.00 N ATOM 374 CA TRP A 29 -2.933 -6.605 -6.593 1.00 0.00 C ATOM 375 C TRP A 29 -2.911 -5.117 -6.948 1.00 0.00 C ATOM 376 O TRP A 29 -2.132 -4.689 -7.799 1.00 0.00 O ATOM 377 CB TRP A 29 -2.227 -7.478 -7.633 1.00 0.00 C ATOM 378 CG TRP A 29 -2.362 -8.980 -7.379 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.732 -9.934 -8.245 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.111 -9.668 -6.136 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.739 -11.180 -7.653 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.349 -11.014 -6.330 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.697 -9.170 -4.888 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.200 -11.972 -5.320 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.553 -10.140 -3.889 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.788 -11.498 -4.068 1.00 0.00 C ATOM 0 H TRP A 29 -4.606 -7.167 -5.464 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.378 -6.750 -5.666 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.631 -7.249 -8.619 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.169 -7.217 -7.653 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.992 -9.750 -9.277 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.985 -12.061 -8.104 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.505 -8.122 -4.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.392 -13.020 -5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.237 -9.810 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.654 -12.185 -3.245 1.00 0.00 H new ATOM 397 N THR A 30 -3.774 -4.369 -6.277 1.00 0.00 N ATOM 398 CA THR A 30 -3.863 -2.937 -6.510 1.00 0.00 C ATOM 399 C THR A 30 -3.263 -2.166 -5.333 1.00 0.00 C ATOM 400 O THR A 30 -3.764 -2.247 -4.212 1.00 0.00 O ATOM 401 CB THR A 30 -5.329 -2.592 -6.777 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.676 -3.398 -7.901 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.512 -1.158 -7.277 1.00 0.00 C ATOM 0 H THR A 30 -4.418 -4.727 -5.572 1.00 0.00 H new ATOM 0 HA THR A 30 -3.280 -2.642 -7.382 1.00 0.00 H new ATOM 0 HB THR A 30 -5.907 -2.734 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.877 -4.309 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.571 -0.966 -7.451 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.135 -0.461 -6.529 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.961 -1.024 -8.208 1.00 0.00 H new ATOM 411 N PHE A 31 -2.197 -1.436 -5.626 1.00 0.00 N ATOM 412 CA PHE A 31 -1.523 -0.652 -4.606 1.00 0.00 C ATOM 413 C PHE A 31 -1.798 0.842 -4.792 1.00 0.00 C ATOM 414 O PHE A 31 -2.298 1.259 -5.836 1.00 0.00 O ATOM 415 CB PHE A 31 -0.022 -0.906 -4.765 1.00 0.00 C ATOM 416 CG PHE A 31 0.653 -0.012 -5.807 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.500 -0.277 -7.132 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.406 1.048 -5.408 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.127 0.552 -8.099 1.00 0.00 C ATOM 420 CE2 PHE A 31 2.033 1.878 -6.376 1.00 0.00 C ATOM 421 CZ PHE A 31 1.880 1.612 -7.701 1.00 0.00 C ATOM 0 H PHE A 31 -1.783 -1.371 -6.556 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.882 -0.940 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.466 -0.756 -3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.132 -1.949 -5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.099 -1.118 -7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.527 1.259 -4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.006 0.341 -9.151 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.631 2.720 -6.060 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.357 2.243 -8.437 1.00 0.00 H new ATOM 431 N LEU A 32 -1.459 1.606 -3.764 1.00 0.00 N ATOM 432 CA LEU A 32 -1.663 3.044 -3.801 1.00 0.00 C ATOM 433 C LEU A 32 -0.884 3.695 -2.657 1.00 0.00 C ATOM 434 O LEU A 32 -0.791 3.134 -1.566 1.00 0.00 O ATOM 435 CB LEU A 32 -3.157 3.374 -3.794 1.00 0.00 C ATOM 436 CG LEU A 32 -3.850 3.316 -2.431 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.799 4.677 -1.733 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.281 2.794 -2.565 1.00 0.00 C ATOM 0 H LEU A 32 -1.044 1.256 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.273 3.460 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.290 4.375 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.665 2.683 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.308 2.610 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.298 4.609 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.760 4.971 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.302 5.421 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.750 2.763 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.850 3.456 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.264 1.791 -2.991 1.00 0.00 H new ATOM 450 N VAL A 33 -0.343 4.870 -2.944 1.00 0.00 N ATOM 451 CA VAL A 33 0.425 5.603 -1.953 1.00 0.00 C ATOM 452 C VAL A 33 -0.477 6.638 -1.278 1.00 0.00 C ATOM 453 O VAL A 33 -1.210 7.362 -1.952 1.00 0.00 O ATOM 454 CB VAL A 33 1.663 6.223 -2.604 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.637 6.744 -1.544 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.351 5.224 -3.536 1.00 0.00 C ATOM 0 H VAL A 33 -0.422 5.333 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 33 0.786 4.930 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 33 1.336 7.071 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.508 7.180 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.143 7.504 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.954 5.920 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.228 5.690 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.658 4.347 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.658 4.922 -4.321 1.00 0.00 H new ATOM 466 N ARG A 34 -0.395 6.676 0.044 1.00 0.00 N ATOM 467 CA ARG A 34 -1.195 7.611 0.817 1.00 0.00 C ATOM 468 C ARG A 34 -0.407 8.106 2.031 1.00 0.00 C ATOM 469 O ARG A 34 0.621 7.532 2.385 1.00 0.00 O ATOM 470 CB ARG A 34 -2.496 6.960 1.292 1.00 0.00 C ATOM 471 CG ARG A 34 -2.342 5.441 1.400 1.00 0.00 C ATOM 472 CD ARG A 34 -3.521 4.823 2.153 1.00 0.00 C ATOM 473 NE ARG A 34 -3.360 5.035 3.609 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.879 4.232 4.547 1.00 0.00 C ATOM 475 NH1 ARG A 34 -4.596 3.159 4.188 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.682 4.503 5.845 1.00 0.00 N ATOM 0 H ARG A 34 0.213 6.074 0.599 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.439 8.454 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.779 7.370 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.301 7.199 0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.275 5.007 0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.411 5.202 1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.455 5.271 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.582 3.756 1.937 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.820 5.843 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.747 2.953 3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.991 2.547 4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.137 5.321 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.077 3.892 6.559 1.00 0.00 H new ATOM 490 N GLU A 35 -0.920 9.168 2.636 1.00 0.00 N ATOM 491 CA GLU A 35 -0.277 9.747 3.803 1.00 0.00 C ATOM 492 C GLU A 35 -0.910 9.200 5.084 1.00 0.00 C ATOM 493 O GLU A 35 -2.127 9.042 5.160 1.00 0.00 O ATOM 494 CB GLU A 35 -0.346 11.275 3.766 1.00 0.00 C ATOM 495 CG GLU A 35 1.051 11.885 3.637 1.00 0.00 C ATOM 496 CD GLU A 35 1.105 13.272 4.281 1.00 0.00 C ATOM 497 OE1 GLU A 35 0.296 13.500 5.206 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.954 14.073 3.833 1.00 0.00 O ATOM 0 H GLU A 35 -1.773 9.642 2.340 1.00 0.00 H new ATOM 0 HA GLU A 35 0.775 9.464 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.965 11.594 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.825 11.643 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.783 11.231 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.324 11.958 2.584 1.00 0.00 H new ATOM 505 N SER A 36 -0.055 8.927 6.059 1.00 0.00 N ATOM 506 CA SER A 36 -0.516 8.402 7.333 1.00 0.00 C ATOM 507 C SER A 36 -1.156 9.519 8.159 1.00 0.00 C ATOM 508 O SER A 36 -0.465 10.419 8.633 1.00 0.00 O ATOM 509 CB SER A 36 0.634 7.759 8.111 1.00 0.00 C ATOM 510 OG SER A 36 0.337 6.418 8.491 1.00 0.00 O ATOM 0 H SER A 36 0.954 9.060 5.992 1.00 0.00 H new ATOM 0 HA SER A 36 -1.262 7.632 7.136 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.537 7.771 7.500 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.844 8.350 9.002 1.00 0.00 H new ATOM 0 HG SER A 36 1.096 6.042 8.984 1.00 0.00 H new ATOM 516 N LEU A 37 -2.470 9.424 8.305 1.00 0.00 N ATOM 517 CA LEU A 37 -3.211 10.416 9.066 1.00 0.00 C ATOM 518 C LEU A 37 -2.762 10.371 10.528 1.00 0.00 C ATOM 519 O LEU A 37 -2.560 11.412 11.151 1.00 0.00 O ATOM 520 CB LEU A 37 -4.717 10.219 8.878 1.00 0.00 C ATOM 521 CG LEU A 37 -5.341 10.929 7.675 1.00 0.00 C ATOM 522 CD1 LEU A 37 -6.803 10.517 7.494 1.00 0.00 C ATOM 523 CD2 LEU A 37 -5.184 12.446 7.792 1.00 0.00 C ATOM 0 H LEU A 37 -3.040 8.676 7.910 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.995 11.419 8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.915 9.151 8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.224 10.562 9.780 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.805 10.618 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.223 11.036 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.860 9.440 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.369 10.781 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.636 12.927 6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.679 12.794 8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.125 12.700 7.837 1.00 0.00 H new ATOM 535 N SER A 38 -2.621 9.154 11.033 1.00 0.00 N ATOM 536 CA SER A 38 -2.200 8.960 12.410 1.00 0.00 C ATOM 537 C SER A 38 -0.745 9.404 12.581 1.00 0.00 C ATOM 538 O SER A 38 -0.360 9.885 13.645 1.00 0.00 O ATOM 539 CB SER A 38 -2.362 7.499 12.835 1.00 0.00 C ATOM 540 OG SER A 38 -2.944 7.382 14.130 1.00 0.00 O ATOM 0 H SER A 38 -2.791 8.293 10.513 1.00 0.00 H new ATOM 0 HA SER A 38 -2.837 9.570 13.051 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.985 6.977 12.109 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.388 7.010 12.830 1.00 0.00 H new ATOM 0 HG SER A 38 -3.032 6.435 14.365 1.00 0.00 H new ATOM 546 N GLN A 39 0.023 9.226 11.516 1.00 0.00 N ATOM 547 CA GLN A 39 1.426 9.602 11.534 1.00 0.00 C ATOM 548 C GLN A 39 1.715 10.628 10.436 1.00 0.00 C ATOM 549 O GLN A 39 1.947 10.262 9.285 1.00 0.00 O ATOM 550 CB GLN A 39 2.325 8.373 11.386 1.00 0.00 C ATOM 551 CG GLN A 39 3.072 8.081 12.688 1.00 0.00 C ATOM 552 CD GLN A 39 2.100 7.690 13.803 1.00 0.00 C ATOM 553 OE1 GLN A 39 1.227 6.854 13.636 1.00 0.00 O ATOM 554 NE2 GLN A 39 2.298 8.340 14.946 1.00 0.00 N ATOM 0 H GLN A 39 -0.300 8.826 10.635 1.00 0.00 H new ATOM 0 HA GLN A 39 1.647 10.059 12.499 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.722 7.509 11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.041 8.536 10.580 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.789 7.276 12.527 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.642 8.960 12.989 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.048 9.028 15.018 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.700 8.151 15.751 1.00 0.00 H new ATOM 563 N PRO A 40 1.690 11.926 10.841 1.00 0.00 N ATOM 564 CA PRO A 40 1.947 13.008 9.906 1.00 0.00 C ATOM 565 C PRO A 40 3.437 13.103 9.574 1.00 0.00 C ATOM 566 O PRO A 40 4.238 13.514 10.412 1.00 0.00 O ATOM 567 CB PRO A 40 1.409 14.255 10.588 1.00 0.00 C ATOM 568 CG PRO A 40 1.295 13.906 12.063 1.00 0.00 C ATOM 569 CD PRO A 40 1.419 12.397 12.197 1.00 0.00 C ATOM 0 HA PRO A 40 1.459 12.856 8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.078 15.102 10.438 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.440 14.538 10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.077 14.405 12.635 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.340 14.247 12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.224 12.125 12.879 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.503 11.958 12.593 1.00 0.00 H new ATOM 577 N GLY A 41 3.764 12.718 8.349 1.00 0.00 N ATOM 578 CA GLY A 41 5.144 12.755 7.896 1.00 0.00 C ATOM 579 C GLY A 41 5.532 11.443 7.212 1.00 0.00 C ATOM 580 O GLY A 41 6.499 11.396 6.453 1.00 0.00 O ATOM 0 H GLY A 41 3.097 12.379 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.281 13.585 7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.804 12.936 8.744 1.00 0.00 H new ATOM 584 N ASP A 42 4.758 10.408 7.506 1.00 0.00 N ATOM 585 CA ASP A 42 5.009 9.098 6.929 1.00 0.00 C ATOM 586 C ASP A 42 4.015 8.847 5.794 1.00 0.00 C ATOM 587 O ASP A 42 3.283 9.750 5.394 1.00 0.00 O ATOM 588 CB ASP A 42 4.826 7.993 7.972 1.00 0.00 C ATOM 589 CG ASP A 42 6.027 7.061 8.144 1.00 0.00 C ATOM 590 OD1 ASP A 42 7.131 7.475 7.728 1.00 0.00 O ATOM 591 OD2 ASP A 42 5.815 5.956 8.688 1.00 0.00 O ATOM 0 H ASP A 42 3.957 10.450 8.136 1.00 0.00 H new ATOM 0 HA ASP A 42 6.035 9.081 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.603 8.455 8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.957 7.395 7.697 1.00 0.00 H new ATOM 596 N PHE A 43 4.021 7.614 5.307 1.00 0.00 N ATOM 597 CA PHE A 43 3.129 7.233 4.226 1.00 0.00 C ATOM 598 C PHE A 43 2.701 5.770 4.359 1.00 0.00 C ATOM 599 O PHE A 43 3.412 4.963 4.956 1.00 0.00 O ATOM 600 CB PHE A 43 3.908 7.407 2.920 1.00 0.00 C ATOM 601 CG PHE A 43 4.452 8.821 2.705 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.619 9.814 2.295 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.768 9.083 2.923 1.00 0.00 C ATOM 604 CE1 PHE A 43 4.124 11.127 2.094 1.00 0.00 C ATOM 605 CE2 PHE A 43 6.273 10.395 2.723 1.00 0.00 C ATOM 606 CZ PHE A 43 5.441 11.389 2.312 1.00 0.00 C ATOM 0 H PHE A 43 4.629 6.867 5.642 1.00 0.00 H new ATOM 0 HA PHE A 43 2.231 7.851 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.740 6.703 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.259 7.147 2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.574 9.605 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.429 8.293 3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.463 11.916 1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.318 10.603 2.897 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.826 12.386 2.159 1.00 0.00 H new ATOM 616 N VAL A 44 1.541 5.472 3.792 1.00 0.00 N ATOM 617 CA VAL A 44 1.009 4.121 3.840 1.00 0.00 C ATOM 618 C VAL A 44 0.861 3.585 2.414 1.00 0.00 C ATOM 619 O VAL A 44 0.563 4.341 1.491 1.00 0.00 O ATOM 620 CB VAL A 44 -0.303 4.102 4.626 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.838 2.675 4.766 1.00 0.00 C ATOM 622 CG2 VAL A 44 -0.132 4.761 5.996 1.00 0.00 C ATOM 0 H VAL A 44 0.955 6.144 3.297 1.00 0.00 H new ATOM 0 HA VAL A 44 1.696 3.458 4.366 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.037 4.681 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.771 2.690 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.018 2.255 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.106 2.062 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.080 4.734 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.625 4.223 6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.181 5.797 5.865 1.00 0.00 H new ATOM 632 N LEU A 45 1.075 2.285 2.280 1.00 0.00 N ATOM 633 CA LEU A 45 0.969 1.639 0.982 1.00 0.00 C ATOM 634 C LEU A 45 -0.058 0.508 1.063 1.00 0.00 C ATOM 635 O LEU A 45 0.282 -0.620 1.417 1.00 0.00 O ATOM 636 CB LEU A 45 2.347 1.185 0.495 1.00 0.00 C ATOM 637 CG LEU A 45 2.375 0.455 -0.849 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.838 1.347 -1.969 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.779 -0.070 -1.158 1.00 0.00 C ATOM 0 H LEU A 45 1.321 1.661 3.048 1.00 0.00 H new ATOM 0 HA LEU A 45 0.609 2.345 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.992 2.061 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.780 0.530 1.251 1.00 0.00 H new ATOM 0 HG LEU A 45 1.715 -0.410 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.869 0.804 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.809 1.630 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.453 2.244 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.772 -0.585 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.479 0.765 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.088 -0.764 -0.377 1.00 0.00 H new ATOM 651 N SER A 46 -1.294 0.849 0.729 1.00 0.00 N ATOM 652 CA SER A 46 -2.373 -0.124 0.760 1.00 0.00 C ATOM 653 C SER A 46 -2.417 -0.897 -0.560 1.00 0.00 C ATOM 654 O SER A 46 -2.603 -0.307 -1.623 1.00 0.00 O ATOM 655 CB SER A 46 -3.719 0.554 1.023 1.00 0.00 C ATOM 656 OG SER A 46 -3.638 1.510 2.077 1.00 0.00 O ATOM 0 H SER A 46 -1.572 1.785 0.436 1.00 0.00 H new ATOM 0 HA SER A 46 -2.183 -0.821 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.061 1.046 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.463 -0.202 1.275 1.00 0.00 H new ATOM 0 HG SER A 46 -3.687 1.050 2.941 1.00 0.00 H new ATOM 662 N VAL A 47 -2.244 -2.206 -0.448 1.00 0.00 N ATOM 663 CA VAL A 47 -2.262 -3.066 -1.619 1.00 0.00 C ATOM 664 C VAL A 47 -3.383 -4.097 -1.472 1.00 0.00 C ATOM 665 O VAL A 47 -3.461 -4.795 -0.462 1.00 0.00 O ATOM 666 CB VAL A 47 -0.886 -3.704 -1.821 1.00 0.00 C ATOM 667 CG1 VAL A 47 -0.946 -4.814 -2.872 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.158 -2.650 -2.195 1.00 0.00 C ATOM 0 H VAL A 47 -2.091 -2.692 0.436 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.471 -2.484 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.583 -4.154 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.045 -5.251 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.645 -5.585 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.281 -4.398 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.127 -3.130 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.138 -2.158 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.230 -1.910 -1.398 1.00 0.00 H new ATOM 678 N LEU A 48 -4.224 -4.159 -2.494 1.00 0.00 N ATOM 679 CA LEU A 48 -5.337 -5.093 -2.492 1.00 0.00 C ATOM 680 C LEU A 48 -4.832 -6.483 -2.883 1.00 0.00 C ATOM 681 O LEU A 48 -4.276 -6.663 -3.965 1.00 0.00 O ATOM 682 CB LEU A 48 -6.470 -4.578 -3.381 1.00 0.00 C ATOM 683 CG LEU A 48 -7.854 -5.174 -3.116 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.322 -4.863 -1.693 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.863 -4.705 -4.167 1.00 0.00 C ATOM 0 H LEU A 48 -4.157 -3.577 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.761 -5.178 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.534 -3.496 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.206 -4.771 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.781 -6.258 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.308 -5.298 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.617 -5.286 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.375 -3.783 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.839 -5.143 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.939 -3.618 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.531 -5.020 -5.156 1.00 0.00 H new ATOM 697 N SER A 49 -5.044 -7.430 -1.981 1.00 0.00 N ATOM 698 CA SER A 49 -4.617 -8.799 -2.219 1.00 0.00 C ATOM 699 C SER A 49 -5.715 -9.569 -2.955 1.00 0.00 C ATOM 700 O SER A 49 -6.876 -9.161 -2.948 1.00 0.00 O ATOM 701 CB SER A 49 -4.265 -9.502 -0.906 1.00 0.00 C ATOM 702 OG SER A 49 -5.218 -10.504 -0.564 1.00 0.00 O ATOM 0 H SER A 49 -5.506 -7.277 -1.084 1.00 0.00 H new ATOM 0 HA SER A 49 -3.721 -8.775 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.277 -9.955 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.210 -8.766 -0.104 1.00 0.00 H new ATOM 0 HG SER A 49 -5.384 -10.481 0.402 1.00 0.00 H new ATOM 708 N ASP A 50 -5.310 -10.669 -3.572 1.00 0.00 N ATOM 709 CA ASP A 50 -6.245 -11.500 -4.312 1.00 0.00 C ATOM 710 C ASP A 50 -6.789 -12.592 -3.389 1.00 0.00 C ATOM 711 O ASP A 50 -7.185 -13.661 -3.852 1.00 0.00 O ATOM 712 CB ASP A 50 -5.558 -12.181 -5.497 1.00 0.00 C ATOM 713 CG ASP A 50 -4.833 -13.486 -5.161 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.290 -13.561 -4.038 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.838 -14.379 -6.036 1.00 0.00 O ATOM 0 H ASP A 50 -4.347 -11.004 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.047 -10.861 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.306 -12.385 -6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.840 -11.485 -5.930 1.00 0.00 H new ATOM 720 N GLN A 51 -6.792 -12.286 -2.100 1.00 0.00 N ATOM 721 CA GLN A 51 -7.282 -13.229 -1.108 1.00 0.00 C ATOM 722 C GLN A 51 -8.518 -12.665 -0.404 1.00 0.00 C ATOM 723 O GLN A 51 -8.422 -11.691 0.341 1.00 0.00 O ATOM 724 CB GLN A 51 -6.188 -13.579 -0.098 1.00 0.00 C ATOM 725 CG GLN A 51 -5.137 -14.499 -0.724 1.00 0.00 C ATOM 726 CD GLN A 51 -4.611 -15.507 0.300 1.00 0.00 C ATOM 727 OE1 GLN A 51 -5.358 -16.138 1.029 1.00 0.00 O ATOM 728 NE2 GLN A 51 -3.286 -15.622 0.313 1.00 0.00 N ATOM 0 H GLN A 51 -6.463 -11.399 -1.719 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.567 -14.149 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.711 -12.666 0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.632 -14.066 0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.571 -15.029 -1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.310 -13.903 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.719 -15.063 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.837 -16.269 0.961 1.00 0.00 H new ATOM 737 N PRO A 52 -9.680 -13.317 -0.673 1.00 0.00 N ATOM 738 CA PRO A 52 -10.933 -12.891 -0.074 1.00 0.00 C ATOM 739 C PRO A 52 -11.004 -13.300 1.398 1.00 0.00 C ATOM 740 O PRO A 52 -10.158 -14.052 1.879 1.00 0.00 O ATOM 741 CB PRO A 52 -12.015 -13.539 -0.923 1.00 0.00 C ATOM 742 CG PRO A 52 -11.334 -14.670 -1.675 1.00 0.00 C ATOM 743 CD PRO A 52 -9.832 -14.474 -1.551 1.00 0.00 C ATOM 0 HA PRO A 52 -11.048 -11.807 -0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.826 -13.917 -0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.453 -12.819 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.628 -15.635 -1.262 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.634 -14.667 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.351 -15.357 -1.130 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.374 -14.295 -2.524 1.00 0.00 H new ATOM 751 N LYS A 53 -12.022 -12.786 2.074 1.00 0.00 N ATOM 752 CA LYS A 53 -12.215 -13.088 3.482 1.00 0.00 C ATOM 753 C LYS A 53 -13.098 -14.330 3.617 1.00 0.00 C ATOM 754 O LYS A 53 -12.809 -15.219 4.417 1.00 0.00 O ATOM 755 CB LYS A 53 -12.757 -11.865 4.223 1.00 0.00 C ATOM 756 CG LYS A 53 -11.785 -10.687 4.121 1.00 0.00 C ATOM 757 CD LYS A 53 -12.529 -9.353 4.218 1.00 0.00 C ATOM 758 CE LYS A 53 -12.692 -8.922 5.677 1.00 0.00 C ATOM 759 NZ LYS A 53 -12.077 -7.594 5.897 1.00 0.00 N ATOM 0 H LYS A 53 -12.722 -12.162 1.672 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.261 -13.322 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.723 -11.581 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.923 -12.114 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.043 -10.753 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.244 -10.738 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.983 -8.587 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.509 -9.444 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.750 -8.887 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.228 -9.658 6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.197 -7.317 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.063 -7.639 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.538 -6.892 5.284 1.00 0.00 H new ATOM 773 N ALA A 54 -14.158 -14.352 2.822 1.00 0.00 N ATOM 774 CA ALA A 54 -15.086 -15.470 2.842 1.00 0.00 C ATOM 775 C ALA A 54 -15.050 -16.182 1.488 1.00 0.00 C ATOM 776 O ALA A 54 -15.327 -17.377 1.403 1.00 0.00 O ATOM 777 CB ALA A 54 -16.485 -14.966 3.200 1.00 0.00 C ATOM 0 H ALA A 54 -14.395 -13.613 2.160 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.797 -16.195 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.181 -15.805 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.462 -14.496 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.810 -14.238 2.457 1.00 0.00 H new ATOM 783 N GLY A 55 -14.707 -15.416 0.462 1.00 0.00 N ATOM 784 CA GLY A 55 -14.632 -15.958 -0.884 1.00 0.00 C ATOM 785 C GLY A 55 -15.473 -15.129 -1.857 1.00 0.00 C ATOM 786 O GLY A 55 -15.319 -13.911 -1.932 1.00 0.00 O ATOM 0 H GLY A 55 -14.478 -14.425 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.594 -15.973 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.982 -16.990 -0.884 1.00 0.00 H new ATOM 790 N PRO A 56 -16.365 -15.840 -2.596 1.00 0.00 N ATOM 791 CA PRO A 56 -17.230 -15.183 -3.561 1.00 0.00 C ATOM 792 C PRO A 56 -18.361 -14.428 -2.859 1.00 0.00 C ATOM 793 O PRO A 56 -19.292 -15.040 -2.338 1.00 0.00 O ATOM 794 CB PRO A 56 -17.732 -16.298 -4.463 1.00 0.00 C ATOM 795 CG PRO A 56 -17.505 -17.590 -3.695 1.00 0.00 C ATOM 796 CD PRO A 56 -16.574 -17.284 -2.533 1.00 0.00 C ATOM 0 HA PRO A 56 -16.709 -14.422 -4.142 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.788 -16.164 -4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.193 -16.307 -5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.452 -17.989 -3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.068 -18.349 -4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.018 -17.579 -1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.632 -17.825 -2.627 1.00 0.00 H new ATOM 804 N GLY A 57 -18.242 -13.108 -2.866 1.00 0.00 N ATOM 805 CA GLY A 57 -19.242 -12.263 -2.237 1.00 0.00 C ATOM 806 C GLY A 57 -18.635 -11.458 -1.086 1.00 0.00 C ATOM 807 O GLY A 57 -19.314 -10.637 -0.472 1.00 0.00 O ATOM 0 H GLY A 57 -17.468 -12.603 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.666 -11.584 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.060 -12.879 -1.863 1.00 0.00 H new ATOM 811 N SER A 58 -17.362 -11.722 -0.829 1.00 0.00 N ATOM 812 CA SER A 58 -16.655 -11.033 0.237 1.00 0.00 C ATOM 813 C SER A 58 -15.569 -10.131 -0.353 1.00 0.00 C ATOM 814 O SER A 58 -15.064 -10.394 -1.443 1.00 0.00 O ATOM 815 CB SER A 58 -16.040 -12.027 1.224 1.00 0.00 C ATOM 816 OG SER A 58 -14.864 -12.640 0.701 1.00 0.00 O ATOM 0 H SER A 58 -16.802 -12.404 -1.341 1.00 0.00 H new ATOM 0 HA SER A 58 -17.373 -10.419 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.798 -11.512 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.772 -12.797 1.467 1.00 0.00 H new ATOM 0 HG SER A 58 -15.030 -12.934 -0.219 1.00 0.00 H new ATOM 822 N PRO A 59 -15.234 -9.058 0.413 1.00 0.00 N ATOM 823 CA PRO A 59 -14.217 -8.116 -0.023 1.00 0.00 C ATOM 824 C PRO A 59 -12.816 -8.710 0.134 1.00 0.00 C ATOM 825 O PRO A 59 -12.552 -9.445 1.084 1.00 0.00 O ATOM 826 CB PRO A 59 -14.437 -6.878 0.831 1.00 0.00 C ATOM 827 CG PRO A 59 -15.259 -7.335 2.025 1.00 0.00 C ATOM 828 CD PRO A 59 -15.812 -8.715 1.709 1.00 0.00 C ATOM 0 HA PRO A 59 -14.295 -7.872 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.487 -6.451 1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.961 -6.104 0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.642 -7.367 2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.071 -6.634 2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.529 -9.439 2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.901 -8.705 1.667 1.00 0.00 H new ATOM 836 N LEU A 60 -11.954 -8.368 -0.813 1.00 0.00 N ATOM 837 CA LEU A 60 -10.586 -8.859 -0.791 1.00 0.00 C ATOM 838 C LEU A 60 -9.796 -8.107 0.282 1.00 0.00 C ATOM 839 O LEU A 60 -9.719 -6.880 0.255 1.00 0.00 O ATOM 840 CB LEU A 60 -9.965 -8.772 -2.187 1.00 0.00 C ATOM 841 CG LEU A 60 -10.506 -9.757 -3.225 1.00 0.00 C ATOM 842 CD1 LEU A 60 -9.920 -9.472 -4.609 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.266 -11.203 -2.787 1.00 0.00 C ATOM 0 H LEU A 60 -12.176 -7.758 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.563 -9.915 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.111 -7.760 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.890 -8.926 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.585 -9.618 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.321 -10.186 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.186 -8.460 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.835 -9.566 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.660 -11.882 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.196 -11.374 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.770 -11.384 -1.838 1.00 0.00 H new ATOM 855 N ARG A 61 -9.230 -8.875 1.201 1.00 0.00 N ATOM 856 CA ARG A 61 -8.449 -8.296 2.281 1.00 0.00 C ATOM 857 C ARG A 61 -7.568 -7.163 1.752 1.00 0.00 C ATOM 858 O ARG A 61 -7.329 -7.068 0.549 1.00 0.00 O ATOM 859 CB ARG A 61 -7.564 -9.352 2.947 1.00 0.00 C ATOM 860 CG ARG A 61 -8.402 -10.323 3.781 1.00 0.00 C ATOM 861 CD ARG A 61 -7.564 -11.521 4.234 1.00 0.00 C ATOM 862 NE ARG A 61 -7.996 -12.741 3.516 1.00 0.00 N ATOM 863 CZ ARG A 61 -7.586 -13.979 3.824 1.00 0.00 C ATOM 864 NH1 ARG A 61 -6.732 -14.168 4.839 1.00 0.00 N ATOM 865 NH2 ARG A 61 -8.030 -15.027 3.118 1.00 0.00 N ATOM 0 H ARG A 61 -9.296 -9.893 1.220 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.147 -7.903 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.013 -9.903 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.826 -8.864 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.805 -9.806 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.253 -10.671 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.508 -11.330 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.671 -11.665 5.309 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.647 -12.633 2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.394 -13.370 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.420 -15.110 5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.680 -14.883 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.718 -15.969 3.353 1.00 0.00 H new ATOM 879 N VAL A 62 -7.110 -6.332 2.676 1.00 0.00 N ATOM 880 CA VAL A 62 -6.261 -5.208 2.317 1.00 0.00 C ATOM 881 C VAL A 62 -4.948 -5.296 3.099 1.00 0.00 C ATOM 882 O VAL A 62 -4.933 -5.742 4.245 1.00 0.00 O ATOM 883 CB VAL A 62 -7.007 -3.893 2.549 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.123 -2.693 2.205 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.314 -3.857 1.754 1.00 0.00 C ATOM 0 H VAL A 62 -7.310 -6.414 3.673 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.011 -5.242 1.256 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.257 -3.832 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.678 -1.771 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.233 -2.705 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.828 -2.747 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.825 -2.912 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.096 -3.952 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.954 -4.682 2.068 1.00 0.00 H new ATOM 895 N THR A 63 -3.878 -4.865 2.447 1.00 0.00 N ATOM 896 CA THR A 63 -2.564 -4.890 3.067 1.00 0.00 C ATOM 897 C THR A 63 -1.950 -3.489 3.069 1.00 0.00 C ATOM 898 O THR A 63 -1.716 -2.908 2.010 1.00 0.00 O ATOM 899 CB THR A 63 -1.713 -5.926 2.329 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.092 -7.168 2.917 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.224 -5.798 2.654 1.00 0.00 C ATOM 0 H THR A 63 -3.894 -4.497 1.496 1.00 0.00 H new ATOM 0 HA THR A 63 -2.625 -5.186 4.114 1.00 0.00 H new ATOM 0 HB THR A 63 -1.860 -5.819 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.866 -7.901 2.307 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.335 -6.556 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.128 -4.808 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.072 -5.939 3.724 1.00 0.00 H new ATOM 909 N HIS A 64 -1.706 -2.987 4.271 1.00 0.00 N ATOM 910 CA HIS A 64 -1.123 -1.665 4.425 1.00 0.00 C ATOM 911 C HIS A 64 0.379 -1.794 4.689 1.00 0.00 C ATOM 912 O HIS A 64 0.788 -2.232 5.764 1.00 0.00 O ATOM 913 CB HIS A 64 -1.851 -0.873 5.513 1.00 0.00 C ATOM 914 CG HIS A 64 -3.340 -0.754 5.294 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.945 0.422 4.886 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.337 -1.674 5.428 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.249 0.208 4.784 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.490 -1.092 5.121 1.00 0.00 N ATOM 0 H HIS A 64 -1.901 -3.472 5.147 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.247 -1.099 3.502 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.673 -1.351 6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.421 0.127 5.569 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.468 1.304 4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.210 -2.702 5.732 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.990 0.935 4.486 1.00 0.00 H new ATOM 926 N ILE A 65 1.159 -1.405 3.691 1.00 0.00 N ATOM 927 CA ILE A 65 2.606 -1.471 3.803 1.00 0.00 C ATOM 928 C ILE A 65 3.144 -0.101 4.220 1.00 0.00 C ATOM 929 O ILE A 65 3.412 0.749 3.372 1.00 0.00 O ATOM 930 CB ILE A 65 3.219 -2.004 2.506 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.789 -3.450 2.251 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.741 -1.852 2.517 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.783 -3.528 1.101 1.00 0.00 C ATOM 0 H ILE A 65 0.816 -1.043 2.801 1.00 0.00 H new ATOM 0 HA ILE A 65 2.897 -2.178 4.580 1.00 0.00 H new ATOM 0 HB ILE A 65 2.842 -1.405 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.663 -4.057 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.346 -3.866 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.152 -2.238 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.001 -0.798 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.156 -2.411 3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.494 -4.567 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.900 -2.940 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.238 -3.133 0.192 1.00 0.00 H new ATOM 945 N LYS A 66 3.287 0.070 5.526 1.00 0.00 N ATOM 946 CA LYS A 66 3.789 1.323 6.066 1.00 0.00 C ATOM 947 C LYS A 66 5.162 1.621 5.459 1.00 0.00 C ATOM 948 O LYS A 66 5.959 0.710 5.240 1.00 0.00 O ATOM 949 CB LYS A 66 3.788 1.285 7.595 1.00 0.00 C ATOM 950 CG LYS A 66 2.360 1.300 8.143 1.00 0.00 C ATOM 951 CD LYS A 66 2.086 2.586 8.926 1.00 0.00 C ATOM 952 CE LYS A 66 2.728 2.531 10.313 1.00 0.00 C ATOM 953 NZ LYS A 66 1.756 2.945 11.350 1.00 0.00 N ATOM 0 H LYS A 66 3.064 -0.638 6.226 1.00 0.00 H new ATOM 0 HA LYS A 66 3.132 2.148 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.304 0.389 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.340 2.141 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.650 1.213 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.206 0.436 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.476 3.442 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.011 2.734 9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.079 1.520 10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.601 3.183 10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.208 2.902 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.441 3.918 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.936 2.306 11.332 1.00 0.00 H new ATOM 967 N VAL A 67 5.395 2.900 5.204 1.00 0.00 N ATOM 968 CA VAL A 67 6.657 3.330 4.627 1.00 0.00 C ATOM 969 C VAL A 67 7.386 4.235 5.622 1.00 0.00 C ATOM 970 O VAL A 67 6.818 5.211 6.110 1.00 0.00 O ATOM 971 CB VAL A 67 6.412 4.002 3.275 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.692 4.651 2.745 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.843 3.007 2.262 1.00 0.00 C ATOM 0 H VAL A 67 4.731 3.652 5.386 1.00 0.00 H new ATOM 0 HA VAL A 67 7.302 2.472 4.436 1.00 0.00 H new ATOM 0 HB VAL A 67 5.673 4.789 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.490 5.121 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.037 5.405 3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.462 3.889 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.678 3.511 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.548 2.188 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.897 2.612 2.632 1.00 0.00 H new ATOM 983 N MET A 68 8.634 3.881 5.892 1.00 0.00 N ATOM 984 CA MET A 68 9.446 4.649 6.819 1.00 0.00 C ATOM 985 C MET A 68 10.414 5.568 6.070 1.00 0.00 C ATOM 986 O MET A 68 11.357 5.097 5.436 1.00 0.00 O ATOM 987 CB MET A 68 10.238 3.696 7.716 1.00 0.00 C ATOM 988 CG MET A 68 9.317 2.984 8.708 1.00 0.00 C ATOM 989 SD MET A 68 9.872 1.307 8.963 1.00 0.00 S ATOM 990 CE MET A 68 8.724 0.436 7.909 1.00 0.00 C ATOM 0 H MET A 68 9.102 3.072 5.484 1.00 0.00 H new ATOM 0 HA MET A 68 8.784 5.267 7.426 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.756 2.959 7.102 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.002 4.252 8.259 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.307 3.520 9.657 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.294 2.984 8.331 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.748 -0.628 8.146 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.717 0.822 8.071 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.005 0.582 6.866 1.00 0.00 H new ATOM 1000 N CYS A 69 10.147 6.862 6.168 1.00 0.00 N ATOM 1001 CA CYS A 69 10.982 7.850 5.507 1.00 0.00 C ATOM 1002 C CYS A 69 11.997 8.377 6.523 1.00 0.00 C ATOM 1003 O CYS A 69 11.704 9.305 7.275 1.00 0.00 O ATOM 1004 CB CYS A 69 10.148 8.978 4.896 1.00 0.00 C ATOM 1005 SG CYS A 69 11.248 10.240 4.157 1.00 0.00 S ATOM 0 H CYS A 69 9.364 7.249 6.695 1.00 0.00 H new ATOM 0 HA CYS A 69 11.510 7.385 4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.479 8.576 4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.521 9.434 5.662 1.00 0.00 H new ATOM 0 HG CYS A 69 11.115 10.228 2.864 1.00 0.00 H new ATOM 1011 N GLU A 70 13.171 7.762 6.511 1.00 0.00 N ATOM 1012 CA GLU A 70 14.232 8.158 7.422 1.00 0.00 C ATOM 1013 C GLU A 70 15.531 8.399 6.651 1.00 0.00 C ATOM 1014 O GLU A 70 15.859 7.652 5.730 1.00 0.00 O ATOM 1015 CB GLU A 70 14.432 7.110 8.519 1.00 0.00 C ATOM 1016 CG GLU A 70 13.093 6.701 9.137 1.00 0.00 C ATOM 1017 CD GLU A 70 13.177 6.683 10.665 1.00 0.00 C ATOM 1018 OE1 GLU A 70 14.058 5.959 11.176 1.00 0.00 O ATOM 1019 OE2 GLU A 70 12.359 7.395 11.286 1.00 0.00 O ATOM 0 H GLU A 70 13.411 6.993 5.885 1.00 0.00 H new ATOM 0 HA GLU A 70 13.941 9.091 7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.928 6.233 8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.087 7.509 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.315 7.395 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.807 5.714 8.773 1.00 0.00 H new ATOM 1026 N GLY A 71 16.236 9.445 7.056 1.00 0.00 N ATOM 1027 CA GLY A 71 17.492 9.795 6.414 1.00 0.00 C ATOM 1028 C GLY A 71 17.321 9.907 4.898 1.00 0.00 C ATOM 1029 O GLY A 71 18.237 9.588 4.141 1.00 0.00 O ATOM 0 H GLY A 71 15.962 10.062 7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.857 10.741 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.244 9.041 6.644 1.00 0.00 H new ATOM 1033 N GLY A 72 16.142 10.361 4.500 1.00 0.00 N ATOM 1034 CA GLY A 72 15.839 10.520 3.087 1.00 0.00 C ATOM 1035 C GLY A 72 15.733 9.160 2.394 1.00 0.00 C ATOM 1036 O GLY A 72 15.770 9.081 1.167 1.00 0.00 O ATOM 0 H GLY A 72 15.385 10.624 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.902 11.065 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.616 11.116 2.609 1.00 0.00 H new ATOM 1040 N ARG A 73 15.603 8.124 3.209 1.00 0.00 N ATOM 1041 CA ARG A 73 15.492 6.772 2.689 1.00 0.00 C ATOM 1042 C ARG A 73 14.151 6.156 3.094 1.00 0.00 C ATOM 1043 O ARG A 73 13.747 6.245 4.252 1.00 0.00 O ATOM 1044 CB ARG A 73 16.628 5.887 3.206 1.00 0.00 C ATOM 1045 CG ARG A 73 17.974 6.334 2.633 1.00 0.00 C ATOM 1046 CD ARG A 73 19.063 5.297 2.919 1.00 0.00 C ATOM 1047 NE ARG A 73 19.768 4.945 1.667 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.544 5.793 0.977 1.00 0.00 C ATOM 1049 NH1 ARG A 73 20.718 7.047 1.414 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.145 5.386 -0.149 1.00 0.00 N ATOM 0 H ARG A 73 15.572 8.194 4.226 1.00 0.00 H new ATOM 0 HA ARG A 73 15.557 6.829 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.660 5.929 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.439 4.849 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.883 6.484 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.257 7.293 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.772 5.693 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.620 4.404 3.360 1.00 0.00 H new ATOM 0 HE ARG A 73 19.657 3.998 1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.260 7.356 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.308 7.693 0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.012 4.431 -0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 73 21.735 6.031 -0.674 1.00 0.00 H new ATOM 1064 N TYR A 74 13.497 5.545 2.117 1.00 0.00 N ATOM 1065 CA TYR A 74 12.210 4.915 2.357 1.00 0.00 C ATOM 1066 C TYR A 74 12.355 3.396 2.467 1.00 0.00 C ATOM 1067 O TYR A 74 13.120 2.786 1.721 1.00 0.00 O ATOM 1068 CB TYR A 74 11.345 5.246 1.139 1.00 0.00 C ATOM 1069 CG TYR A 74 10.931 6.716 1.051 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.829 7.165 1.750 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.658 7.592 0.272 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.439 8.549 1.667 1.00 0.00 C ATOM 1073 CE2 TYR A 74 11.268 8.976 0.189 1.00 0.00 C ATOM 1074 CZ TYR A 74 10.178 9.386 0.890 1.00 0.00 C ATOM 1075 OH TYR A 74 9.810 10.693 0.812 1.00 0.00 O ATOM 0 H TYR A 74 13.835 5.473 1.157 1.00 0.00 H new ATOM 0 HA TYR A 74 11.775 5.275 3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.891 4.978 0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.448 4.627 1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.259 6.479 2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.520 7.240 -0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.579 8.914 2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.829 9.672 -0.417 1.00 0.00 H new ATOM 0 HH TYR A 74 10.429 11.172 0.223 1.00 0.00 H new ATOM 1085 N THR A 75 11.610 2.828 3.404 1.00 0.00 N ATOM 1086 CA THR A 75 11.646 1.392 3.621 1.00 0.00 C ATOM 1087 C THR A 75 10.343 0.917 4.266 1.00 0.00 C ATOM 1088 O THR A 75 9.711 1.659 5.017 1.00 0.00 O ATOM 1089 CB THR A 75 12.888 1.071 4.454 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.680 -0.271 4.885 1.00 0.00 O ATOM 1091 CG2 THR A 75 12.945 1.876 5.754 1.00 0.00 C ATOM 0 H THR A 75 10.978 3.337 4.022 1.00 0.00 H new ATOM 0 HA THR A 75 11.721 0.851 2.677 1.00 0.00 H new ATOM 0 HB THR A 75 13.782 1.271 3.864 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.545 -0.719 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.846 1.610 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.963 2.941 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.067 1.651 6.360 1.00 0.00 H new ATOM 1099 N VAL A 76 9.978 -0.316 3.949 1.00 0.00 N ATOM 1100 CA VAL A 76 8.761 -0.899 4.489 1.00 0.00 C ATOM 1101 C VAL A 76 9.101 -1.713 5.738 1.00 0.00 C ATOM 1102 O VAL A 76 8.244 -2.407 6.284 1.00 0.00 O ATOM 1103 CB VAL A 76 8.054 -1.724 3.412 1.00 0.00 C ATOM 1104 CG1 VAL A 76 7.906 -0.923 2.116 1.00 0.00 C ATOM 1105 CG2 VAL A 76 8.788 -3.042 3.161 1.00 0.00 C ATOM 0 H VAL A 76 10.504 -0.928 3.325 1.00 0.00 H new ATOM 0 HA VAL A 76 8.064 -0.117 4.791 1.00 0.00 H new ATOM 0 HB VAL A 76 7.054 -1.961 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.400 -1.533 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.320 -0.024 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.892 -0.641 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.265 -3.609 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.806 -2.834 2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.818 -3.623 4.083 1.00 0.00 H new ATOM 1115 N GLY A 77 10.353 -1.602 6.156 1.00 0.00 N ATOM 1116 CA GLY A 77 10.817 -2.319 7.331 1.00 0.00 C ATOM 1117 C GLY A 77 11.901 -3.334 6.962 1.00 0.00 C ATOM 1118 O GLY A 77 12.227 -4.216 7.755 1.00 0.00 O ATOM 0 H GLY A 77 11.061 -1.026 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.210 -1.612 8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.979 -2.832 7.803 1.00 0.00 H new ATOM 1122 N GLY A 78 12.430 -3.174 5.758 1.00 0.00 N ATOM 1123 CA GLY A 78 13.471 -4.065 5.274 1.00 0.00 C ATOM 1124 C GLY A 78 14.813 -3.337 5.173 1.00 0.00 C ATOM 1125 O GLY A 78 14.893 -2.137 5.427 1.00 0.00 O ATOM 0 H GLY A 78 12.157 -2.441 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.566 -4.918 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.192 -4.459 4.296 1.00 0.00 H new ATOM 1129 N LEU A 79 15.834 -4.095 4.801 1.00 0.00 N ATOM 1130 CA LEU A 79 17.169 -3.537 4.663 1.00 0.00 C ATOM 1131 C LEU A 79 17.199 -2.589 3.463 1.00 0.00 C ATOM 1132 O LEU A 79 17.751 -1.493 3.547 1.00 0.00 O ATOM 1133 CB LEU A 79 18.212 -4.654 4.590 1.00 0.00 C ATOM 1134 CG LEU A 79 19.188 -4.738 5.766 1.00 0.00 C ATOM 1135 CD1 LEU A 79 19.506 -6.194 6.112 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.454 -3.926 5.486 1.00 0.00 C ATOM 0 H LEU A 79 15.764 -5.091 4.591 1.00 0.00 H new ATOM 0 HA LEU A 79 17.428 -2.948 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.690 -5.607 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.788 -4.527 3.674 1.00 0.00 H new ATOM 0 HG LEU A 79 18.709 -4.297 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.201 -6.225 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.587 -6.713 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.957 -6.683 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.131 -4.002 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.946 -4.315 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.188 -2.881 5.326 1.00 0.00 H new ATOM 1148 N GLU A 80 16.598 -3.045 2.373 1.00 0.00 N ATOM 1149 CA GLU A 80 16.549 -2.251 1.158 1.00 0.00 C ATOM 1150 C GLU A 80 15.847 -0.917 1.422 1.00 0.00 C ATOM 1151 O GLU A 80 14.927 -0.847 2.236 1.00 0.00 O ATOM 1152 CB GLU A 80 15.860 -3.019 0.028 1.00 0.00 C ATOM 1153 CG GLU A 80 16.680 -4.244 -0.381 1.00 0.00 C ATOM 1154 CD GLU A 80 15.768 -5.424 -0.725 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.955 -5.260 -1.660 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.904 -6.463 -0.044 1.00 0.00 O ATOM 0 H GLU A 80 16.141 -3.955 2.307 1.00 0.00 H new ATOM 0 HA GLU A 80 17.571 -2.044 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.867 -3.332 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.725 -2.364 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.303 -3.998 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.352 -4.524 0.430 1.00 0.00 H new ATOM 1163 N THR A 81 16.307 0.107 0.720 1.00 0.00 N ATOM 1164 CA THR A 81 15.735 1.434 0.869 1.00 0.00 C ATOM 1165 C THR A 81 15.497 2.070 -0.502 1.00 0.00 C ATOM 1166 O THR A 81 15.733 1.439 -1.532 1.00 0.00 O ATOM 1167 CB THR A 81 16.666 2.254 1.765 1.00 0.00 C ATOM 1168 OG1 THR A 81 17.973 1.834 1.382 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.563 1.854 3.238 1.00 0.00 C ATOM 0 H THR A 81 17.070 0.045 0.046 1.00 0.00 H new ATOM 0 HA THR A 81 14.756 1.390 1.347 1.00 0.00 H new ATOM 0 HB THR A 81 16.432 3.313 1.660 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.640 2.317 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.244 2.466 3.830 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.542 2.007 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.830 0.803 3.349 1.00 0.00 H new ATOM 1177 N PHE A 82 15.033 3.310 -0.472 1.00 0.00 N ATOM 1178 CA PHE A 82 14.761 4.038 -1.700 1.00 0.00 C ATOM 1179 C PHE A 82 14.804 5.549 -1.463 1.00 0.00 C ATOM 1180 O PHE A 82 14.598 6.011 -0.342 1.00 0.00 O ATOM 1181 CB PHE A 82 13.352 3.645 -2.149 1.00 0.00 C ATOM 1182 CG PHE A 82 13.077 2.141 -2.090 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.450 1.340 -3.124 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.459 1.605 -1.003 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.194 -0.056 -3.069 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.204 0.209 -0.948 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.577 -0.592 -1.982 1.00 0.00 C ATOM 0 H PHE A 82 14.838 3.830 0.384 1.00 0.00 H new ATOM 0 HA PHE A 82 15.512 3.794 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.625 4.162 -1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.197 3.993 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.941 1.765 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.162 2.241 -0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.489 -0.692 -3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.714 -0.217 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.383 -1.654 -1.940 1.00 0.00 H new ATOM 1197 N ASP A 83 15.074 6.276 -2.537 1.00 0.00 N ATOM 1198 CA ASP A 83 15.147 7.725 -2.460 1.00 0.00 C ATOM 1199 C ASP A 83 13.785 8.321 -2.822 1.00 0.00 C ATOM 1200 O ASP A 83 13.412 9.379 -2.318 1.00 0.00 O ATOM 1201 CB ASP A 83 16.181 8.277 -3.444 1.00 0.00 C ATOM 1202 CG ASP A 83 17.371 8.990 -2.799 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.192 9.479 -1.662 1.00 0.00 O ATOM 1204 OD2 ASP A 83 18.433 9.030 -3.457 1.00 0.00 O ATOM 0 H ASP A 83 15.245 5.889 -3.465 1.00 0.00 H new ATOM 0 HA ASP A 83 15.435 7.994 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.556 7.455 -4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.683 8.972 -4.119 1.00 0.00 H new ATOM 1209 N SER A 84 13.079 7.615 -3.693 1.00 0.00 N ATOM 1210 CA SER A 84 11.767 8.060 -4.129 1.00 0.00 C ATOM 1211 C SER A 84 10.750 6.927 -3.970 1.00 0.00 C ATOM 1212 O SER A 84 11.088 5.757 -4.142 1.00 0.00 O ATOM 1213 CB SER A 84 11.802 8.542 -5.580 1.00 0.00 C ATOM 1214 OG SER A 84 12.904 9.410 -5.828 1.00 0.00 O ATOM 0 H SER A 84 13.391 6.737 -4.109 1.00 0.00 H new ATOM 0 HA SER A 84 11.466 8.900 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.861 7.681 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.872 9.061 -5.812 1.00 0.00 H new ATOM 0 HG SER A 84 12.892 9.694 -6.766 1.00 0.00 H new ATOM 1220 N LEU A 85 9.526 7.315 -3.643 1.00 0.00 N ATOM 1221 CA LEU A 85 8.459 6.346 -3.460 1.00 0.00 C ATOM 1222 C LEU A 85 8.327 5.494 -4.723 1.00 0.00 C ATOM 1223 O LEU A 85 7.907 4.339 -4.656 1.00 0.00 O ATOM 1224 CB LEU A 85 7.162 7.049 -3.054 1.00 0.00 C ATOM 1225 CG LEU A 85 6.810 7.001 -1.566 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.247 5.632 -1.180 1.00 0.00 C ATOM 1227 CD2 LEU A 85 8.014 7.389 -0.705 1.00 0.00 C ATOM 0 H LEU A 85 9.250 8.286 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 85 8.697 5.667 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.228 8.094 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.340 6.605 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 85 6.028 7.736 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.005 5.625 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.345 5.433 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.989 4.861 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.737 7.347 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.834 6.696 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.330 8.401 -0.957 1.00 0.00 H new ATOM 1239 N THR A 86 8.692 6.095 -5.845 1.00 0.00 N ATOM 1240 CA THR A 86 8.620 5.405 -7.122 1.00 0.00 C ATOM 1241 C THR A 86 9.614 4.242 -7.157 1.00 0.00 C ATOM 1242 O THR A 86 9.248 3.118 -7.495 1.00 0.00 O ATOM 1243 CB THR A 86 8.850 6.435 -8.230 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.563 7.007 -8.444 1.00 0.00 O ATOM 1245 CG2 THR A 86 9.197 5.785 -9.571 1.00 0.00 C ATOM 0 H THR A 86 9.039 7.053 -5.897 1.00 0.00 H new ATOM 0 HA THR A 86 7.638 4.957 -7.274 1.00 0.00 H new ATOM 0 HB THR A 86 9.653 7.111 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.991 6.823 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.350 6.560 -10.322 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.109 5.197 -9.465 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.380 5.134 -9.882 1.00 0.00 H new ATOM 1253 N ASP A 87 10.853 4.554 -6.803 1.00 0.00 N ATOM 1254 CA ASP A 87 11.902 3.549 -6.790 1.00 0.00 C ATOM 1255 C ASP A 87 11.590 2.506 -5.715 1.00 0.00 C ATOM 1256 O ASP A 87 12.180 1.427 -5.702 1.00 0.00 O ATOM 1257 CB ASP A 87 13.259 4.175 -6.462 1.00 0.00 C ATOM 1258 CG ASP A 87 14.205 4.330 -7.655 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.342 3.338 -8.403 1.00 0.00 O ATOM 1260 OD2 ASP A 87 14.770 5.437 -7.792 1.00 0.00 O ATOM 0 H ASP A 87 11.153 5.488 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 87 11.945 3.092 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.092 5.157 -6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.750 3.564 -5.705 1.00 0.00 H new ATOM 1265 N LEU A 88 10.664 2.865 -4.838 1.00 0.00 N ATOM 1266 CA LEU A 88 10.267 1.974 -3.762 1.00 0.00 C ATOM 1267 C LEU A 88 9.141 1.061 -4.251 1.00 0.00 C ATOM 1268 O LEU A 88 9.179 -0.149 -4.033 1.00 0.00 O ATOM 1269 CB LEU A 88 9.909 2.775 -2.508 1.00 0.00 C ATOM 1270 CG LEU A 88 9.175 2.005 -1.408 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.287 2.728 -0.064 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.718 1.745 -1.799 1.00 0.00 C ATOM 0 H LEU A 88 10.177 3.761 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 88 11.098 1.330 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.828 3.183 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.291 3.622 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 88 9.656 1.034 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.757 2.160 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.337 2.818 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.847 3.722 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.219 1.196 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.209 2.696 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.687 1.158 -2.717 1.00 0.00 H new ATOM 1284 N VAL A 89 8.164 1.676 -4.902 1.00 0.00 N ATOM 1285 CA VAL A 89 7.029 0.933 -5.424 1.00 0.00 C ATOM 1286 C VAL A 89 7.483 0.087 -6.615 1.00 0.00 C ATOM 1287 O VAL A 89 7.061 -1.059 -6.763 1.00 0.00 O ATOM 1288 CB VAL A 89 5.891 1.894 -5.772 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.995 1.309 -6.867 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.075 2.251 -4.528 1.00 0.00 C ATOM 0 H VAL A 89 8.135 2.680 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 89 6.640 0.249 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 89 6.334 2.813 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.194 2.012 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.587 1.129 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.565 0.369 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.273 2.935 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.648 1.344 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.723 2.728 -3.793 1.00 0.00 H new ATOM 1300 N GLU A 90 8.337 0.684 -7.433 1.00 0.00 N ATOM 1301 CA GLU A 90 8.852 0.000 -8.607 1.00 0.00 C ATOM 1302 C GLU A 90 9.700 -1.204 -8.190 1.00 0.00 C ATOM 1303 O GLU A 90 10.044 -2.043 -9.020 1.00 0.00 O ATOM 1304 CB GLU A 90 9.656 0.956 -9.491 1.00 0.00 C ATOM 1305 CG GLU A 90 8.763 2.066 -10.050 1.00 0.00 C ATOM 1306 CD GLU A 90 8.040 1.602 -11.316 1.00 0.00 C ATOM 1307 OE1 GLU A 90 7.654 0.414 -11.346 1.00 0.00 O ATOM 1308 OE2 GLU A 90 7.890 2.447 -12.225 1.00 0.00 O ATOM 0 H GLU A 90 8.685 1.634 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 90 8.007 -0.360 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.469 1.395 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.111 0.402 -10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.032 2.363 -9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.367 2.946 -10.273 1.00 0.00 H new ATOM 1315 N HIS A 91 10.012 -1.250 -6.903 1.00 0.00 N ATOM 1316 CA HIS A 91 10.813 -2.337 -6.365 1.00 0.00 C ATOM 1317 C HIS A 91 9.911 -3.533 -6.055 1.00 0.00 C ATOM 1318 O HIS A 91 10.107 -4.620 -6.597 1.00 0.00 O ATOM 1319 CB HIS A 91 11.617 -1.870 -5.151 1.00 0.00 C ATOM 1320 CG HIS A 91 12.323 -2.984 -4.416 1.00 0.00 C ATOM 1321 ND1 HIS A 91 13.477 -3.582 -4.892 1.00 0.00 N ATOM 1322 CD2 HIS A 91 12.027 -3.602 -3.237 1.00 0.00 C ATOM 1323 CE1 HIS A 91 13.850 -4.517 -4.029 1.00 0.00 C ATOM 1324 NE2 HIS A 91 12.950 -4.528 -3.005 1.00 0.00 N ATOM 0 H HIS A 91 9.725 -0.552 -6.217 1.00 0.00 H new ATOM 0 HA HIS A 91 11.543 -2.659 -7.108 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.356 -1.138 -5.477 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.947 -1.360 -4.459 1.00 0.00 H new ATOM 0 HD2 HIS A 91 11.185 -3.377 -2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.715 -5.157 -4.121 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.981 -5.146 -2.194 1.00 0.00 H new ATOM 1332 N PHE A 92 8.943 -3.293 -5.183 1.00 0.00 N ATOM 1333 CA PHE A 92 8.010 -4.337 -4.793 1.00 0.00 C ATOM 1334 C PHE A 92 6.980 -4.592 -5.895 1.00 0.00 C ATOM 1335 O PHE A 92 6.185 -5.526 -5.804 1.00 0.00 O ATOM 1336 CB PHE A 92 7.287 -3.845 -3.538 1.00 0.00 C ATOM 1337 CG PHE A 92 8.209 -3.606 -2.341 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.656 -4.659 -1.606 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.582 -2.340 -2.013 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.512 -4.437 -0.495 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.438 -2.118 -0.902 1.00 0.00 C ATOM 1342 CZ PHE A 92 9.885 -3.171 -0.167 1.00 0.00 C ATOM 0 H PHE A 92 8.784 -2.390 -4.735 1.00 0.00 H new ATOM 0 HA PHE A 92 8.547 -5.268 -4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.765 -2.917 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.528 -4.576 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.360 -5.664 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.227 -1.504 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.867 -5.273 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.734 -1.113 -0.641 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.537 -3.002 0.678 1.00 0.00 H new ATOM 1352 N LYS A 93 7.027 -3.743 -6.912 1.00 0.00 N ATOM 1353 CA LYS A 93 6.108 -3.864 -8.031 1.00 0.00 C ATOM 1354 C LYS A 93 6.370 -5.183 -8.760 1.00 0.00 C ATOM 1355 O LYS A 93 5.531 -5.648 -9.531 1.00 0.00 O ATOM 1356 CB LYS A 93 6.198 -2.633 -8.934 1.00 0.00 C ATOM 1357 CG LYS A 93 4.983 -1.723 -8.745 1.00 0.00 C ATOM 1358 CD LYS A 93 4.995 -0.575 -9.756 1.00 0.00 C ATOM 1359 CE LYS A 93 4.781 -1.095 -11.179 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.590 -0.462 -11.788 1.00 0.00 N ATOM 0 H LYS A 93 7.687 -2.969 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 93 5.078 -3.895 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.110 -2.079 -8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.263 -2.946 -9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.068 -2.304 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.980 -1.320 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.214 0.143 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.945 -0.045 -9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.662 -0.885 -11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.656 -2.178 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.459 -0.826 -12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.749 -0.683 -11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.724 0.569 -11.822 1.00 0.00 H new ATOM 1374 N LYS A 94 7.537 -5.750 -8.491 1.00 0.00 N ATOM 1375 CA LYS A 94 7.920 -7.006 -9.113 1.00 0.00 C ATOM 1376 C LYS A 94 8.051 -8.084 -8.035 1.00 0.00 C ATOM 1377 O LYS A 94 7.306 -9.063 -8.036 1.00 0.00 O ATOM 1378 CB LYS A 94 9.182 -6.824 -9.957 1.00 0.00 C ATOM 1379 CG LYS A 94 9.913 -5.534 -9.578 1.00 0.00 C ATOM 1380 CD LYS A 94 11.109 -5.290 -10.501 1.00 0.00 C ATOM 1381 CE LYS A 94 12.422 -5.319 -9.716 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.470 -4.556 -10.432 1.00 0.00 N ATOM 0 H LYS A 94 8.230 -5.363 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 94 7.147 -7.339 -9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.845 -7.677 -9.815 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.917 -6.799 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.225 -4.691 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.253 -5.595 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.131 -6.050 -11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.999 -4.326 -10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.269 -4.895 -8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.746 -6.350 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.355 -4.585 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.627 -4.978 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.165 -3.568 -10.544 1.00 0.00 H new ATOM 1396 N THR A 95 9.004 -7.868 -7.140 1.00 0.00 N ATOM 1397 CA THR A 95 9.242 -8.809 -6.058 1.00 0.00 C ATOM 1398 C THR A 95 7.947 -9.077 -5.290 1.00 0.00 C ATOM 1399 O THR A 95 7.524 -10.225 -5.161 1.00 0.00 O ATOM 1400 CB THR A 95 10.364 -8.247 -5.182 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.852 -7.000 -4.720 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.604 -7.864 -5.992 1.00 0.00 C ATOM 0 H THR A 95 9.620 -7.055 -7.142 1.00 0.00 H new ATOM 0 HA THR A 95 9.562 -9.779 -6.439 1.00 0.00 H new ATOM 0 HB THR A 95 10.638 -8.984 -4.427 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.090 -6.293 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.369 -7.471 -5.322 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.989 -8.745 -6.506 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.339 -7.103 -6.726 1.00 0.00 H new ATOM 1410 N GLY A 96 7.354 -7.999 -4.799 1.00 0.00 N ATOM 1411 CA GLY A 96 6.115 -8.104 -4.046 1.00 0.00 C ATOM 1412 C GLY A 96 6.370 -7.945 -2.546 1.00 0.00 C ATOM 1413 O GLY A 96 7.506 -7.731 -2.125 1.00 0.00 O ATOM 0 H GLY A 96 7.708 -7.049 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.415 -7.339 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.649 -9.070 -4.239 1.00 0.00 H new ATOM 1417 N ILE A 97 5.294 -8.056 -1.780 1.00 0.00 N ATOM 1418 CA ILE A 97 5.387 -7.927 -0.336 1.00 0.00 C ATOM 1419 C ILE A 97 4.912 -9.226 0.319 1.00 0.00 C ATOM 1420 O ILE A 97 3.979 -9.864 -0.165 1.00 0.00 O ATOM 1421 CB ILE A 97 4.631 -6.685 0.141 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.262 -5.410 -0.421 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.537 -6.654 1.668 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.189 -4.440 -0.917 1.00 0.00 C ATOM 0 H ILE A 97 4.354 -8.234 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 97 6.423 -7.777 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 97 3.612 -6.736 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.865 -4.928 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.935 -5.664 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.995 -5.762 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.009 -7.541 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.540 -6.638 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.665 -3.542 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.604 -4.916 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.533 -4.169 -0.090 1.00 0.00 H new ATOM 1436 N GLU A 98 5.576 -9.578 1.410 1.00 0.00 N ATOM 1437 CA GLU A 98 5.234 -10.789 2.137 1.00 0.00 C ATOM 1438 C GLU A 98 4.312 -10.460 3.313 1.00 0.00 C ATOM 1439 O GLU A 98 4.606 -9.567 4.106 1.00 0.00 O ATOM 1440 CB GLU A 98 6.492 -11.517 2.613 1.00 0.00 C ATOM 1441 CG GLU A 98 6.131 -12.756 3.435 1.00 0.00 C ATOM 1442 CD GLU A 98 7.298 -13.181 4.329 1.00 0.00 C ATOM 1443 OE1 GLU A 98 7.851 -12.286 5.003 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.610 -14.391 4.317 1.00 0.00 O ATOM 0 H GLU A 98 6.349 -9.046 1.808 1.00 0.00 H new ATOM 0 HA GLU A 98 4.702 -11.458 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.094 -11.810 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.101 -10.842 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.255 -12.547 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.863 -13.575 2.767 1.00 0.00 H new ATOM 1451 N GLU A 99 3.215 -11.199 3.388 1.00 0.00 N ATOM 1452 CA GLU A 99 2.248 -10.996 4.454 1.00 0.00 C ATOM 1453 C GLU A 99 2.658 -11.785 5.699 1.00 0.00 C ATOM 1454 O GLU A 99 3.501 -12.678 5.623 1.00 0.00 O ATOM 1455 CB GLU A 99 0.840 -11.384 3.998 1.00 0.00 C ATOM 1456 CG GLU A 99 0.183 -10.245 3.217 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.342 -10.343 3.283 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.850 -10.545 4.407 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.966 -10.214 2.208 1.00 0.00 O ATOM 0 H GLU A 99 2.974 -11.939 2.728 1.00 0.00 H new ATOM 0 HA GLU A 99 2.233 -9.936 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.889 -12.276 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.229 -11.635 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.507 -9.287 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.508 -10.277 2.177 1.00 0.00 H new ATOM 1466 N ALA A 100 2.044 -11.426 6.817 1.00 0.00 N ATOM 1467 CA ALA A 100 2.334 -12.090 8.077 1.00 0.00 C ATOM 1468 C ALA A 100 1.751 -13.504 8.050 1.00 0.00 C ATOM 1469 O ALA A 100 2.100 -14.339 8.883 1.00 0.00 O ATOM 1470 CB ALA A 100 1.783 -11.253 9.233 1.00 0.00 C ATOM 0 H ALA A 100 1.347 -10.684 6.877 1.00 0.00 H new ATOM 0 HA ALA A 100 3.410 -12.181 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.000 -11.750 10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.251 -10.269 9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.704 -11.143 9.121 1.00 0.00 H new ATOM 1476 N SER A 101 0.872 -13.729 7.084 1.00 0.00 N ATOM 1477 CA SER A 101 0.237 -15.028 6.938 1.00 0.00 C ATOM 1478 C SER A 101 1.150 -15.971 6.152 1.00 0.00 C ATOM 1479 O SER A 101 0.991 -17.189 6.215 1.00 0.00 O ATOM 1480 CB SER A 101 -1.121 -14.902 6.245 1.00 0.00 C ATOM 1481 OG SER A 101 -1.016 -14.255 4.979 1.00 0.00 O ATOM 0 H SER A 101 0.585 -13.034 6.395 1.00 0.00 H new ATOM 0 HA SER A 101 0.069 -15.441 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.553 -15.894 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.803 -14.341 6.884 1.00 0.00 H new ATOM 0 HG SER A 101 -1.903 -14.195 4.568 1.00 0.00 H new ATOM 1487 N GLY A 102 2.085 -15.372 5.429 1.00 0.00 N ATOM 1488 CA GLY A 102 3.023 -16.144 4.632 1.00 0.00 C ATOM 1489 C GLY A 102 2.789 -15.915 3.137 1.00 0.00 C ATOM 1490 O GLY A 102 3.689 -16.122 2.325 1.00 0.00 O ATOM 0 H GLY A 102 2.213 -14.361 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.044 -15.863 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.916 -17.204 4.863 1.00 0.00 H new ATOM 1494 N ALA A 103 1.574 -15.491 2.819 1.00 0.00 N ATOM 1495 CA ALA A 103 1.211 -15.232 1.436 1.00 0.00 C ATOM 1496 C ALA A 103 1.928 -13.971 0.952 1.00 0.00 C ATOM 1497 O ALA A 103 2.205 -13.068 1.740 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.311 -15.118 1.321 1.00 0.00 C ATOM 0 H ALA A 103 0.829 -15.321 3.495 1.00 0.00 H new ATOM 0 HA ALA A 103 1.526 -16.056 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.584 -14.924 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.771 -16.050 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.663 -14.299 1.948 1.00 0.00 H new ATOM 1504 N PHE A 104 2.210 -13.948 -0.343 1.00 0.00 N ATOM 1505 CA PHE A 104 2.890 -12.812 -0.941 1.00 0.00 C ATOM 1506 C PHE A 104 1.899 -11.899 -1.666 1.00 0.00 C ATOM 1507 O PHE A 104 0.803 -12.327 -2.026 1.00 0.00 O ATOM 1508 CB PHE A 104 3.886 -13.373 -1.958 1.00 0.00 C ATOM 1509 CG PHE A 104 5.308 -13.530 -1.415 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.611 -14.572 -0.595 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.268 -12.628 -1.752 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.930 -14.718 -0.091 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.588 -12.774 -1.248 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.891 -13.816 -0.428 1.00 0.00 C ATOM 0 H PHE A 104 1.980 -14.698 -0.994 1.00 0.00 H new ATOM 0 HA PHE A 104 3.385 -12.225 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.530 -14.344 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.911 -12.716 -2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.848 -15.288 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.027 -11.801 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.171 -15.545 0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.351 -12.058 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.894 -13.927 -0.044 1.00 0.00 H new ATOM 1524 N VAL A 105 2.319 -10.657 -1.858 1.00 0.00 N ATOM 1525 CA VAL A 105 1.482 -9.680 -2.533 1.00 0.00 C ATOM 1526 C VAL A 105 2.311 -8.951 -3.593 1.00 0.00 C ATOM 1527 O VAL A 105 3.516 -8.768 -3.426 1.00 0.00 O ATOM 1528 CB VAL A 105 0.854 -8.733 -1.509 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.026 -7.648 -2.201 1.00 0.00 C ATOM 1530 CG2 VAL A 105 0.008 -9.505 -0.495 1.00 0.00 C ATOM 0 H VAL A 105 3.228 -10.305 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 105 0.657 -10.173 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 105 1.662 -8.243 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.409 -6.988 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.668 -7.069 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.771 -8.113 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.427 -8.808 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.790 -10.035 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.637 -10.222 0.032 1.00 0.00 H new ATOM 1540 N TYR A 106 1.631 -8.554 -4.659 1.00 0.00 N ATOM 1541 CA TYR A 106 2.290 -7.849 -5.746 1.00 0.00 C ATOM 1542 C TYR A 106 1.459 -6.647 -6.202 1.00 0.00 C ATOM 1543 O TYR A 106 0.236 -6.651 -6.078 1.00 0.00 O ATOM 1544 CB TYR A 106 2.391 -8.850 -6.898 1.00 0.00 C ATOM 1545 CG TYR A 106 2.961 -10.211 -6.492 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.322 -10.434 -6.551 1.00 0.00 C ATOM 1547 CD2 TYR A 106 2.114 -11.214 -6.066 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.858 -11.715 -6.168 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.651 -12.495 -5.684 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.996 -12.682 -5.754 1.00 0.00 C ATOM 1551 OH TYR A 106 4.503 -13.891 -5.393 1.00 0.00 O ATOM 0 H TYR A 106 0.631 -8.707 -4.793 1.00 0.00 H new ATOM 0 HA TYR A 106 3.264 -7.478 -5.428 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.400 -8.996 -7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.018 -8.424 -7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.984 -9.649 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.049 -11.039 -6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.921 -11.903 -6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.000 -13.289 -5.350 1.00 0.00 H new ATOM 0 HH TYR A 106 3.772 -14.483 -5.118 1.00 0.00 H new ATOM 1561 N LEU A 107 2.159 -5.648 -6.719 1.00 0.00 N ATOM 1562 CA LEU A 107 1.502 -4.442 -7.194 1.00 0.00 C ATOM 1563 C LEU A 107 1.371 -4.504 -8.717 1.00 0.00 C ATOM 1564 O LEU A 107 2.334 -4.246 -9.437 1.00 0.00 O ATOM 1565 CB LEU A 107 2.236 -3.198 -6.690 1.00 0.00 C ATOM 1566 CG LEU A 107 2.592 -3.186 -5.202 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.677 -4.218 -4.889 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.989 -1.781 -4.744 1.00 0.00 C ATOM 0 H LEU A 107 3.174 -5.649 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 107 0.492 -4.374 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.156 -3.086 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.619 -2.325 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 107 1.704 -3.470 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.911 -4.188 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.320 -5.213 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.574 -3.989 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.237 -1.801 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.856 -1.444 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.158 -1.096 -4.910 1.00 0.00 H new ATOM 1580 N ARG A 108 0.171 -4.848 -9.163 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.098 -4.947 -10.587 1.00 0.00 C ATOM 1582 C ARG A 108 -0.453 -3.572 -11.157 1.00 0.00 C ATOM 1583 O ARG A 108 0.226 -3.074 -12.054 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.247 -5.918 -10.864 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.783 -7.370 -10.726 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.641 -8.303 -11.583 1.00 0.00 C ATOM 1587 NE ARG A 108 -0.779 -9.084 -12.499 1.00 0.00 N ATOM 1588 CZ ARG A 108 -1.202 -10.132 -13.218 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -2.478 -10.532 -13.131 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -0.349 -10.781 -14.023 1.00 0.00 N ATOM 0 H ARG A 108 -0.626 -5.062 -8.563 1.00 0.00 H new ATOM 0 HA ARG A 108 0.804 -5.322 -11.070 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.065 -5.726 -10.170 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.635 -5.750 -11.869 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.261 -7.452 -11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.839 -7.676 -9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.211 -8.977 -10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.363 -7.722 -12.157 1.00 0.00 H new ATOM 0 HE ARG A 108 0.198 -8.807 -12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.126 -10.038 -12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.801 -11.330 -13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.622 -10.477 -14.088 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.671 -11.579 -14.570 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.515 -2.998 -10.613 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.968 -1.690 -11.056 1.00 0.00 C ATOM 1606 C GLN A 109 -2.303 -0.808 -9.852 1.00 0.00 C ATOM 1607 O GLN A 109 -2.904 -1.273 -8.885 1.00 0.00 O ATOM 1608 CB GLN A 109 -3.170 -1.815 -11.995 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.412 -2.288 -11.235 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.923 -3.617 -11.794 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.648 -3.671 -12.774 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.506 -4.684 -11.118 1.00 0.00 N ATOM 0 H GLN A 109 -2.075 -3.414 -9.869 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.160 -1.217 -11.614 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.371 -0.852 -12.464 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.939 -2.518 -12.796 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.174 -2.402 -10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.196 -1.534 -11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.900 -4.568 -10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.792 -5.618 -11.412 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.888 0.484 -9.952 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.137 1.435 -8.883 1.00 0.00 C ATOM 1623 C PRO A 110 -3.604 1.871 -8.868 1.00 0.00 C ATOM 1624 O PRO A 110 -4.290 1.788 -9.885 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.179 2.584 -9.148 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.761 2.452 -10.603 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.173 1.070 -11.082 1.00 0.00 C ATOM 0 HA PRO A 110 -1.965 1.011 -7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.661 3.544 -8.966 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.314 2.531 -8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.237 3.224 -11.208 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.316 2.586 -10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.809 1.130 -11.965 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.305 0.470 -11.355 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.040 2.327 -7.703 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.413 2.776 -7.542 1.00 0.00 C ATOM 1637 C TYR A 111 -5.592 4.195 -8.085 1.00 0.00 C ATOM 1638 O TYR A 111 -4.666 5.003 -8.038 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.681 2.782 -6.035 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.135 3.077 -5.663 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.159 2.384 -6.276 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.422 4.038 -4.714 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.527 2.663 -5.925 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.791 4.316 -4.364 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.776 3.615 -4.986 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.069 3.878 -4.655 1.00 0.00 O ATOM 0 H TYR A 111 -3.467 2.395 -6.862 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.097 2.124 -8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.401 1.813 -5.623 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.038 3.526 -5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.934 1.633 -7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.621 4.581 -4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.338 2.128 -6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.030 5.065 -3.624 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.573 3.039 -4.613 1.00 0.00 H new