USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 866 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 36 THR OG1 : rot 84:sc= -1.52! USER MOD Set 1.2: A 64 LYS NZ :NH3+ 151:sc= 0.917 (180deg=-1.21!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.273 USER MOD Set 2.2: A 16 THR OG1 : rot 87:sc= 0.289 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 11 CYS SG : rot -150:sc= -3.01! USER MOD Single : A 12 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.7!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 20 GLN : amide:sc= -3.66! C(o=-3.7!,f=-6.2!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 27 SER OG : rot 87:sc= 0.392 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 38 SER OG : rot 91:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -1.6! (180deg=-2.58!) USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= -0.0698 (180deg=-0.493) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.135 F(o=-0.93,f=-0.14) USER MOD Single : A 67 THR OG1 : rot 167:sc= 0.732 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 82 MET CE :methyl -139:sc= -0.204 (180deg=-3.08!) USER MOD Single : A 84 THR OG1 : rot 2:sc= -0.705 USER MOD Single : A 86 MET CE :methyl 136:sc= -0.227 (180deg=-1.04) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.2) USER MOD Single : A 96 LYS NZ :NH3+ 145:sc= -1.34! (180deg=-3.82!) USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.699) USER MOD Single : A 102 LYS NZ :NH3+ -143:sc= -0.889 (180deg=-2.92!) USER MOD Single : A 106 GLN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 107 SER OG : rot 76:sc= 0.694 USER MOD Single : A 108 THR OG1 : rot 83:sc= 1.29 USER MOD Single : A 111 LYS NZ :NH3+ 171:sc= -0.0148 (180deg=-0.143) USER MOD Single : A 112 HIS : no HD1:sc= -3.18 K(o=-3.2,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.643 1.454 -12.518 1.00 0.00 N ATOM 70 CA GLY A 6 -4.528 0.079 -12.911 1.00 0.00 C ATOM 71 C GLY A 6 -3.185 -0.478 -12.536 1.00 0.00 C ATOM 72 O GLY A 6 -2.805 -1.558 -12.985 1.00 0.00 O ATOM 0 HA2 GLY A 6 -5.314 -0.506 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.674 -0.009 -13.988 1.00 0.00 H new ATOM 76 N GLN A 7 -2.473 0.260 -11.710 1.00 0.00 N ATOM 77 CA GLN A 7 -1.155 -0.115 -11.292 1.00 0.00 C ATOM 78 C GLN A 7 -0.893 0.356 -9.888 1.00 0.00 C ATOM 79 O GLN A 7 -1.654 1.143 -9.324 1.00 0.00 O ATOM 80 CB GLN A 7 -0.102 0.498 -12.209 1.00 0.00 C ATOM 81 CG GLN A 7 -0.132 2.019 -12.251 1.00 0.00 C ATOM 82 CD GLN A 7 0.936 2.600 -13.134 1.00 0.00 C ATOM 83 OE1 GLN A 7 2.006 2.012 -13.311 1.00 0.00 O ATOM 84 NE2 GLN A 7 0.678 3.757 -13.669 1.00 0.00 N ATOM 0 H GLN A 7 -2.802 1.140 -11.312 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.094 -1.202 -11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.885 0.173 -11.881 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.245 0.113 -13.219 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.109 2.349 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.012 2.408 -11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.220 4.209 -13.497 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.373 4.212 -14.260 1.00 0.00 H new ATOM 93 N VAL A 8 0.176 -0.118 -9.357 1.00 0.00 N ATOM 94 CA VAL A 8 0.639 0.232 -8.053 1.00 0.00 C ATOM 95 C VAL A 8 2.000 0.947 -8.188 1.00 0.00 C ATOM 96 O VAL A 8 2.796 0.591 -9.060 1.00 0.00 O ATOM 97 CB VAL A 8 0.754 -1.051 -7.201 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.809 -2.027 -7.731 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.928 -0.752 -5.738 1.00 0.00 C ATOM 0 H VAL A 8 0.780 -0.787 -9.834 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.058 0.908 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.202 -1.565 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.843 -2.909 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.550 -2.326 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.785 -1.542 -7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.004 -1.687 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.837 -0.168 -5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.070 -0.184 -5.378 1.00 0.00 H new ATOM 109 N ILE A 9 2.259 1.969 -7.381 1.00 0.00 N ATOM 110 CA ILE A 9 3.506 2.688 -7.524 1.00 0.00 C ATOM 111 C ILE A 9 4.569 2.131 -6.588 1.00 0.00 C ATOM 112 O ILE A 9 4.454 2.230 -5.368 1.00 0.00 O ATOM 113 CB ILE A 9 3.361 4.238 -7.325 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.463 4.878 -8.418 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.735 4.916 -7.327 1.00 0.00 C ATOM 116 CD1 ILE A 9 0.982 4.528 -8.356 1.00 0.00 C ATOM 0 H ILE A 9 1.640 2.306 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 9 3.820 2.535 -8.556 1.00 0.00 H new ATOM 0 HB ILE A 9 2.883 4.393 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.563 5.961 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.846 4.580 -9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.611 5.990 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.341 4.512 -6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.232 4.729 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.455 5.031 -9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.858 3.450 -8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.571 4.852 -7.400 1.00 0.00 H new ATOM 128 N ALA A 10 5.588 1.550 -7.157 1.00 0.00 N ATOM 129 CA ALA A 10 6.670 0.986 -6.388 1.00 0.00 C ATOM 130 C ALA A 10 7.728 2.040 -6.155 1.00 0.00 C ATOM 131 O ALA A 10 8.394 2.482 -7.094 1.00 0.00 O ATOM 132 CB ALA A 10 7.257 -0.224 -7.095 1.00 0.00 C ATOM 0 H ALA A 10 5.695 1.452 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 10 6.286 0.653 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.072 -0.634 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.484 -0.981 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.637 0.074 -8.072 1.00 0.00 H new ATOM 138 N CYS A 11 7.874 2.456 -4.925 1.00 0.00 N ATOM 139 CA CYS A 11 8.792 3.483 -4.592 1.00 0.00 C ATOM 140 C CYS A 11 10.111 2.886 -4.157 1.00 0.00 C ATOM 141 O CYS A 11 10.166 2.082 -3.228 1.00 0.00 O ATOM 142 CB CYS A 11 8.229 4.316 -3.475 1.00 0.00 C ATOM 143 SG CYS A 11 6.553 4.918 -3.789 1.00 0.00 S ATOM 0 H CYS A 11 7.352 2.083 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 11 8.957 4.107 -5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.228 3.726 -2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.886 5.169 -3.303 1.00 0.00 H new ATOM 0 HG CYS A 11 6.378 6.053 -3.180 1.00 0.00 H new ATOM 149 N HIS A 12 11.155 3.254 -4.834 1.00 0.00 N ATOM 150 CA HIS A 12 12.487 2.812 -4.476 1.00 0.00 C ATOM 151 C HIS A 12 13.242 3.956 -3.846 1.00 0.00 C ATOM 152 O HIS A 12 14.391 3.803 -3.426 1.00 0.00 O ATOM 153 CB HIS A 12 13.260 2.301 -5.707 1.00 0.00 C ATOM 154 CG HIS A 12 12.679 1.079 -6.359 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.225 -0.172 -6.223 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.609 0.928 -7.180 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.528 -1.035 -6.923 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.542 -0.397 -7.513 1.00 0.00 N ATOM 0 H HIS A 12 11.119 3.867 -5.649 1.00 0.00 H new ATOM 0 HA HIS A 12 12.394 1.988 -3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.307 3.101 -6.446 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.285 2.082 -5.408 1.00 0.00 H new ATOM 0 HD1 HIS A 12 14.047 -0.397 -5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.937 1.707 -7.508 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.731 -2.093 -7.001 1.00 0.00 H new ATOM 167 N THR A 13 12.583 5.101 -3.750 1.00 0.00 N ATOM 168 CA THR A 13 13.217 6.304 -3.272 1.00 0.00 C ATOM 169 C THR A 13 12.311 7.019 -2.300 1.00 0.00 C ATOM 170 O THR A 13 11.074 6.862 -2.357 1.00 0.00 O ATOM 171 CB THR A 13 13.543 7.261 -4.448 1.00 0.00 C ATOM 172 OG1 THR A 13 12.349 7.526 -5.209 1.00 0.00 O ATOM 173 CG2 THR A 13 14.611 6.678 -5.355 1.00 0.00 C ATOM 0 H THR A 13 11.601 5.215 -4.001 1.00 0.00 H new ATOM 0 HA THR A 13 14.144 6.018 -2.774 1.00 0.00 H new ATOM 0 HB THR A 13 13.925 8.192 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.561 8.132 -5.949 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.816 7.373 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.523 6.510 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.262 5.731 -5.766 1.00 0.00 H new ATOM 181 N VAL A 14 12.896 7.798 -1.409 1.00 0.00 N ATOM 182 CA VAL A 14 12.116 8.566 -0.475 1.00 0.00 C ATOM 183 C VAL A 14 11.476 9.763 -1.204 1.00 0.00 C ATOM 184 O VAL A 14 10.450 10.290 -0.773 1.00 0.00 O ATOM 185 CB VAL A 14 12.932 9.009 0.799 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.069 9.952 0.465 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.020 9.606 1.870 1.00 0.00 C ATOM 0 H VAL A 14 13.906 7.911 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 14 11.325 7.923 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 14 13.382 8.103 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.596 10.224 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.760 9.461 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.670 10.851 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.617 9.900 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.509 10.481 1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.282 8.864 2.175 1.00 0.00 H new ATOM 197 N GLU A 15 12.082 10.165 -2.351 1.00 0.00 N ATOM 198 CA GLU A 15 11.565 11.208 -3.169 1.00 0.00 C ATOM 199 C GLU A 15 10.136 10.888 -3.611 1.00 0.00 C ATOM 200 O GLU A 15 9.222 11.698 -3.421 1.00 0.00 O ATOM 201 CB GLU A 15 12.429 11.395 -4.420 1.00 0.00 C ATOM 202 CG GLU A 15 13.862 11.899 -4.231 1.00 0.00 C ATOM 203 CD GLU A 15 14.808 10.885 -3.654 1.00 0.00 C ATOM 204 OE1 GLU A 15 14.895 10.767 -2.427 1.00 0.00 O ATOM 205 OE2 GLU A 15 15.497 10.201 -4.433 1.00 0.00 O ATOM 0 H GLU A 15 12.944 9.751 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 15 11.573 12.123 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.477 10.438 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.914 12.092 -5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.248 12.229 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.844 12.772 -3.579 1.00 0.00 H new ATOM 212 N THR A 16 9.949 9.693 -4.171 1.00 0.00 N ATOM 213 CA THR A 16 8.645 9.271 -4.645 1.00 0.00 C ATOM 214 C THR A 16 7.707 9.020 -3.464 1.00 0.00 C ATOM 215 O THR A 16 6.531 9.384 -3.511 1.00 0.00 O ATOM 216 CB THR A 16 8.766 8.003 -5.509 1.00 0.00 C ATOM 217 OG1 THR A 16 9.696 8.260 -6.569 1.00 0.00 O ATOM 218 CG2 THR A 16 7.418 7.625 -6.117 1.00 0.00 C ATOM 0 H THR A 16 10.689 9.004 -4.305 1.00 0.00 H new ATOM 0 HA THR A 16 8.228 10.068 -5.260 1.00 0.00 H new ATOM 0 HB THR A 16 9.107 7.180 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.605 8.063 -6.261 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.531 6.726 -6.723 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.699 7.437 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.060 8.442 -6.744 1.00 0.00 H new ATOM 226 N TRP A 17 8.248 8.420 -2.411 1.00 0.00 N ATOM 227 CA TRP A 17 7.505 8.156 -1.186 1.00 0.00 C ATOM 228 C TRP A 17 6.862 9.438 -0.638 1.00 0.00 C ATOM 229 O TRP A 17 5.645 9.492 -0.424 1.00 0.00 O ATOM 230 CB TRP A 17 8.445 7.518 -0.150 1.00 0.00 C ATOM 231 CG TRP A 17 7.869 7.377 1.225 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.298 8.016 2.349 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.753 6.577 1.621 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.536 7.647 3.419 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.578 6.768 3.003 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.890 5.714 0.949 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.575 6.130 3.723 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.895 5.087 1.667 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.747 5.298 3.041 1.00 0.00 C ATOM 0 H TRP A 17 9.217 8.102 -2.383 1.00 0.00 H new ATOM 0 HA TRP A 17 6.694 7.462 -1.405 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.739 6.531 -0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.353 8.118 -0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.122 8.713 2.388 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.662 7.975 4.376 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.999 5.540 -0.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.459 6.290 4.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.216 4.419 1.158 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.957 4.788 3.572 1.00 0.00 H new ATOM 250 N ASN A 18 7.672 10.466 -0.455 1.00 0.00 N ATOM 251 CA ASN A 18 7.189 11.735 0.077 1.00 0.00 C ATOM 252 C ASN A 18 6.222 12.387 -0.902 1.00 0.00 C ATOM 253 O ASN A 18 5.172 12.898 -0.506 1.00 0.00 O ATOM 254 CB ASN A 18 8.359 12.682 0.357 1.00 0.00 C ATOM 255 CG ASN A 18 7.928 13.978 1.038 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.962 14.006 1.809 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.633 15.046 0.775 1.00 0.00 N ATOM 0 H ASN A 18 8.670 10.450 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 18 6.667 11.535 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.089 12.173 0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.859 12.920 -0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.392 15.936 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.424 14.990 0.134 1.00 0.00 H new ATOM 264 N GLU A 19 6.573 12.328 -2.182 1.00 0.00 N ATOM 265 CA GLU A 19 5.773 12.927 -3.255 1.00 0.00 C ATOM 266 C GLU A 19 4.343 12.387 -3.265 1.00 0.00 C ATOM 267 O GLU A 19 3.379 13.162 -3.312 1.00 0.00 O ATOM 268 CB GLU A 19 6.429 12.666 -4.618 1.00 0.00 C ATOM 269 CG GLU A 19 5.664 13.247 -5.793 1.00 0.00 C ATOM 270 CD GLU A 19 6.316 12.966 -7.121 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.180 13.749 -7.539 1.00 0.00 O ATOM 272 OE2 GLU A 19 5.950 11.965 -7.781 1.00 0.00 O ATOM 0 H GLU A 19 7.420 11.864 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 19 5.730 14.000 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.436 13.084 -4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.531 11.590 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.653 12.839 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.572 14.325 -5.661 1.00 0.00 H new ATOM 279 N GLN A 20 4.212 11.069 -3.192 1.00 0.00 N ATOM 280 CA GLN A 20 2.948 10.427 -3.225 1.00 0.00 C ATOM 281 C GLN A 20 2.096 10.741 -2.016 1.00 0.00 C ATOM 282 O GLN A 20 0.906 11.000 -2.152 1.00 0.00 O ATOM 283 CB GLN A 20 3.133 8.952 -3.373 1.00 0.00 C ATOM 284 CG GLN A 20 3.660 8.493 -4.733 1.00 0.00 C ATOM 285 CD GLN A 20 2.698 8.764 -5.890 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.925 9.723 -5.887 1.00 0.00 O ATOM 287 NE2 GLN A 20 2.738 7.918 -6.883 1.00 0.00 N ATOM 0 H GLN A 20 5.001 10.428 -3.108 1.00 0.00 H new ATOM 0 HA GLN A 20 2.409 10.817 -4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.821 8.609 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.177 8.462 -3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.606 8.995 -4.934 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.869 7.424 -4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.389 7.133 -6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.119 8.042 -7.684 1.00 0.00 H new ATOM 296 N LEU A 21 2.696 10.740 -0.835 1.00 0.00 N ATOM 297 CA LEU A 21 1.988 11.024 0.359 1.00 0.00 C ATOM 298 C LEU A 21 1.516 12.447 0.384 1.00 0.00 C ATOM 299 O LEU A 21 0.376 12.721 0.763 1.00 0.00 O ATOM 300 CB LEU A 21 2.858 10.759 1.533 1.00 0.00 C ATOM 301 CG LEU A 21 3.285 9.320 1.797 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.132 9.267 3.049 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.076 8.398 1.926 1.00 0.00 C ATOM 0 H LEU A 21 3.687 10.540 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 21 1.112 10.376 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.761 11.360 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.340 11.122 2.421 1.00 0.00 H new ATOM 0 HG LEU A 21 3.873 8.970 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.438 8.238 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.017 9.890 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.553 9.635 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.414 7.379 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.451 8.731 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.498 8.424 1.002 1.00 0.00 H new ATOM 315 N GLN A 22 2.384 13.344 -0.013 1.00 0.00 N ATOM 316 CA GLN A 22 2.047 14.738 -0.101 1.00 0.00 C ATOM 317 C GLN A 22 0.910 14.935 -1.093 1.00 0.00 C ATOM 318 O GLN A 22 -0.031 15.680 -0.830 1.00 0.00 O ATOM 319 CB GLN A 22 3.270 15.557 -0.495 1.00 0.00 C ATOM 320 CG GLN A 22 3.011 17.042 -0.631 1.00 0.00 C ATOM 321 CD GLN A 22 4.267 17.807 -0.941 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.968 18.261 -0.036 1.00 0.00 O ATOM 323 NE2 GLN A 22 4.571 17.948 -2.201 1.00 0.00 N ATOM 0 H GLN A 22 3.343 13.126 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 22 1.713 15.087 0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.050 15.403 0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.655 15.180 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.279 17.211 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.575 17.420 0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.962 17.556 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.418 18.450 -2.468 1.00 0.00 H new ATOM 332 N LYS A 23 0.987 14.230 -2.210 1.00 0.00 N ATOM 333 CA LYS A 23 -0.043 14.289 -3.226 1.00 0.00 C ATOM 334 C LYS A 23 -1.362 13.742 -2.697 1.00 0.00 C ATOM 335 O LYS A 23 -2.421 14.344 -2.922 1.00 0.00 O ATOM 336 CB LYS A 23 0.397 13.546 -4.497 1.00 0.00 C ATOM 337 CG LYS A 23 -0.656 13.501 -5.596 1.00 0.00 C ATOM 338 CD LYS A 23 -0.117 12.840 -6.847 1.00 0.00 C ATOM 339 CE LYS A 23 -1.189 12.719 -7.914 1.00 0.00 C ATOM 340 NZ LYS A 23 -0.654 12.184 -9.185 1.00 0.00 N ATOM 0 H LYS A 23 1.762 13.605 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.199 15.335 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.295 14.024 -4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.670 12.525 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.531 12.956 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.984 14.514 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.721 13.420 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.267 11.850 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.986 12.068 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.634 13.698 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.421 12.119 -9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.088 12.818 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.253 11.239 -9.022 1.00 0.00 H new ATOM 354 N ALA A 24 -1.302 12.627 -1.966 1.00 0.00 N ATOM 355 CA ALA A 24 -2.500 12.018 -1.421 1.00 0.00 C ATOM 356 C ALA A 24 -3.130 12.918 -0.369 1.00 0.00 C ATOM 357 O ALA A 24 -4.341 13.049 -0.298 1.00 0.00 O ATOM 358 CB ALA A 24 -2.189 10.646 -0.842 1.00 0.00 C ATOM 0 H ALA A 24 -0.437 12.135 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.217 11.890 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.101 10.206 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.792 10.002 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.451 10.746 -0.046 1.00 0.00 H new ATOM 364 N ASN A 25 -2.293 13.553 0.420 1.00 0.00 N ATOM 365 CA ASN A 25 -2.743 14.453 1.485 1.00 0.00 C ATOM 366 C ASN A 25 -3.413 15.673 0.882 1.00 0.00 C ATOM 367 O ASN A 25 -4.568 15.993 1.181 1.00 0.00 O ATOM 368 CB ASN A 25 -1.527 14.936 2.261 1.00 0.00 C ATOM 369 CG ASN A 25 -1.879 15.760 3.489 1.00 0.00 C ATOM 370 OD1 ASN A 25 -2.918 15.558 4.121 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.033 16.702 3.823 1.00 0.00 N ATOM 0 H ASN A 25 -1.279 13.467 0.350 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.441 13.920 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.936 14.073 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.898 15.533 1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.224 17.297 4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.183 16.841 3.277 1.00 0.00 H new ATOM 378 N GLU A 26 -2.678 16.311 0.006 1.00 0.00 N ATOM 379 CA GLU A 26 -3.094 17.541 -0.666 1.00 0.00 C ATOM 380 C GLU A 26 -4.364 17.352 -1.505 1.00 0.00 C ATOM 381 O GLU A 26 -5.221 18.239 -1.561 1.00 0.00 O ATOM 382 CB GLU A 26 -1.941 18.067 -1.531 1.00 0.00 C ATOM 383 CG GLU A 26 -2.238 19.341 -2.300 1.00 0.00 C ATOM 384 CD GLU A 26 -1.043 19.827 -3.073 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.789 19.316 -4.177 1.00 0.00 O ATOM 386 OE2 GLU A 26 -0.335 20.733 -2.581 1.00 0.00 O ATOM 0 H GLU A 26 -1.751 15.992 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.339 18.274 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.077 18.242 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.658 17.291 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.066 19.165 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.560 20.117 -1.605 1.00 0.00 H new ATOM 393 N SER A 27 -4.491 16.216 -2.138 1.00 0.00 N ATOM 394 CA SER A 27 -5.626 15.964 -2.982 1.00 0.00 C ATOM 395 C SER A 27 -6.746 15.235 -2.222 1.00 0.00 C ATOM 396 O SER A 27 -7.810 14.958 -2.788 1.00 0.00 O ATOM 397 CB SER A 27 -5.175 15.153 -4.174 1.00 0.00 C ATOM 398 OG SER A 27 -4.077 15.790 -4.823 1.00 0.00 O ATOM 0 H SER A 27 -3.820 15.450 -2.084 1.00 0.00 H new ATOM 0 HA SER A 27 -6.037 16.917 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.885 14.153 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.001 15.035 -4.875 1.00 0.00 H new ATOM 0 HG SER A 27 -3.239 15.510 -4.399 1.00 0.00 H new ATOM 404 N LYS A 28 -6.490 14.940 -0.930 1.00 0.00 N ATOM 405 CA LYS A 28 -7.430 14.212 -0.061 1.00 0.00 C ATOM 406 C LYS A 28 -7.778 12.854 -0.665 1.00 0.00 C ATOM 407 O LYS A 28 -8.892 12.347 -0.524 1.00 0.00 O ATOM 408 CB LYS A 28 -8.673 15.045 0.227 1.00 0.00 C ATOM 409 CG LYS A 28 -8.373 16.352 0.957 1.00 0.00 C ATOM 410 CD LYS A 28 -9.638 17.099 1.341 1.00 0.00 C ATOM 411 CE LYS A 28 -9.308 18.408 2.043 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.517 19.133 2.493 1.00 0.00 N ATOM 0 H LYS A 28 -5.622 15.202 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.943 14.030 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.176 15.270 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.366 14.454 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.792 16.140 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.757 16.988 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.230 17.300 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.248 16.476 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.670 18.204 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.738 19.045 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.237 20.017 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.115 19.354 1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.050 18.539 3.160 1.00 0.00 H new ATOM 426 N THR A 29 -6.784 12.260 -1.274 1.00 0.00 N ATOM 427 CA THR A 29 -6.905 11.002 -1.943 1.00 0.00 C ATOM 428 C THR A 29 -6.746 9.862 -0.937 1.00 0.00 C ATOM 429 O THR A 29 -5.977 9.952 0.031 1.00 0.00 O ATOM 430 CB THR A 29 -5.810 10.863 -3.005 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.750 12.067 -3.789 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.092 9.691 -3.944 1.00 0.00 C ATOM 0 H THR A 29 -5.844 12.654 -1.316 1.00 0.00 H new ATOM 0 HA THR A 29 -7.887 10.955 -2.413 1.00 0.00 H new ATOM 0 HB THR A 29 -4.865 10.686 -2.491 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.049 11.981 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.297 9.620 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.136 8.766 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.045 9.850 -4.448 1.00 0.00 H new ATOM 440 N LEU A 30 -7.473 8.837 -1.164 1.00 0.00 N ATOM 441 CA LEU A 30 -7.441 7.647 -0.356 1.00 0.00 C ATOM 442 C LEU A 30 -6.218 6.824 -0.804 1.00 0.00 C ATOM 443 O LEU A 30 -6.070 6.516 -1.996 1.00 0.00 O ATOM 444 CB LEU A 30 -8.765 6.877 -0.565 1.00 0.00 C ATOM 445 CG LEU A 30 -8.946 5.508 0.118 1.00 0.00 C ATOM 446 CD1 LEU A 30 -8.803 5.617 1.601 1.00 0.00 C ATOM 447 CD2 LEU A 30 -10.308 4.940 -0.209 1.00 0.00 C ATOM 0 H LEU A 30 -8.134 8.785 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.350 7.868 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.578 7.522 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.895 6.730 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.167 4.845 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.936 4.634 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.810 5.996 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.558 6.300 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.425 3.972 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.081 5.621 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.401 4.816 -1.288 1.00 0.00 H new ATOM 459 N VAL A 31 -5.347 6.495 0.122 1.00 0.00 N ATOM 460 CA VAL A 31 -4.101 5.865 -0.222 1.00 0.00 C ATOM 461 C VAL A 31 -3.876 4.576 0.581 1.00 0.00 C ATOM 462 O VAL A 31 -4.251 4.489 1.751 1.00 0.00 O ATOM 463 CB VAL A 31 -2.921 6.881 -0.042 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.824 7.388 1.384 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.594 6.306 -0.502 1.00 0.00 C ATOM 0 H VAL A 31 -5.482 6.655 1.120 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.140 5.570 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.149 7.732 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.994 8.089 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.752 7.891 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.657 6.548 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.807 7.046 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.363 5.413 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.657 6.045 -1.558 1.00 0.00 H new ATOM 475 N VAL A 32 -3.304 3.581 -0.054 1.00 0.00 N ATOM 476 CA VAL A 32 -2.979 2.337 0.603 1.00 0.00 C ATOM 477 C VAL A 32 -1.514 2.028 0.390 1.00 0.00 C ATOM 478 O VAL A 32 -1.033 1.990 -0.752 1.00 0.00 O ATOM 479 CB VAL A 32 -3.837 1.163 0.098 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.448 -0.136 0.796 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.321 1.444 0.288 1.00 0.00 C ATOM 0 H VAL A 32 -3.050 3.611 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.193 2.458 1.665 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.647 1.051 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.069 -0.950 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.400 -0.357 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.597 -0.030 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.901 0.597 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.530 1.597 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.596 2.340 -0.269 1.00 0.00 H new ATOM 491 N VAL A 33 -0.804 1.821 1.467 1.00 0.00 N ATOM 492 CA VAL A 33 0.612 1.582 1.394 1.00 0.00 C ATOM 493 C VAL A 33 0.952 0.145 1.768 1.00 0.00 C ATOM 494 O VAL A 33 0.512 -0.365 2.806 1.00 0.00 O ATOM 495 CB VAL A 33 1.411 2.556 2.297 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.902 2.288 2.174 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.099 4.009 1.942 1.00 0.00 C ATOM 0 H VAL A 33 -1.187 1.813 2.412 1.00 0.00 H new ATOM 0 HA VAL A 33 0.902 1.757 0.358 1.00 0.00 H new ATOM 0 HB VAL A 33 1.109 2.387 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.450 2.980 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.114 1.264 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.213 2.428 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.672 4.673 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.368 4.195 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.034 4.197 2.081 1.00 0.00 H new ATOM 507 N ASP A 34 1.709 -0.478 0.917 1.00 0.00 N ATOM 508 CA ASP A 34 2.199 -1.832 1.087 1.00 0.00 C ATOM 509 C ASP A 34 3.672 -1.797 1.460 1.00 0.00 C ATOM 510 O ASP A 34 4.482 -1.281 0.700 1.00 0.00 O ATOM 511 CB ASP A 34 2.038 -2.561 -0.256 1.00 0.00 C ATOM 512 CG ASP A 34 2.723 -3.906 -0.350 1.00 0.00 C ATOM 513 OD1 ASP A 34 3.959 -3.949 -0.559 1.00 0.00 O ATOM 514 OD2 ASP A 34 2.064 -4.927 -0.285 1.00 0.00 O ATOM 0 H ASP A 34 2.021 -0.048 0.046 1.00 0.00 H new ATOM 0 HA ASP A 34 1.643 -2.341 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.974 -2.700 -0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.425 -1.919 -1.047 1.00 0.00 H new ATOM 519 N PHE A 35 4.014 -2.281 2.636 1.00 0.00 N ATOM 520 CA PHE A 35 5.389 -2.419 3.005 1.00 0.00 C ATOM 521 C PHE A 35 5.738 -3.892 2.911 1.00 0.00 C ATOM 522 O PHE A 35 5.228 -4.698 3.692 1.00 0.00 O ATOM 523 CB PHE A 35 5.595 -1.962 4.446 1.00 0.00 C ATOM 524 CG PHE A 35 5.283 -0.518 4.730 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.229 0.469 4.501 1.00 0.00 C ATOM 526 CD2 PHE A 35 4.050 -0.150 5.248 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.950 1.794 4.778 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.767 1.172 5.531 1.00 0.00 C ATOM 529 CZ PHE A 35 4.719 2.146 5.296 1.00 0.00 C ATOM 0 H PHE A 35 3.349 -2.584 3.348 1.00 0.00 H new ATOM 0 HA PHE A 35 6.015 -1.815 2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.976 -2.581 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.633 -2.150 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.195 0.199 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.302 -0.907 5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.694 2.554 4.590 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.803 1.444 5.935 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.501 3.180 5.517 1.00 0.00 H new ATOM 539 N THR A 36 6.630 -4.234 2.026 1.00 0.00 N ATOM 540 CA THR A 36 6.933 -5.619 1.759 1.00 0.00 C ATOM 541 C THR A 36 8.413 -5.805 1.405 1.00 0.00 C ATOM 542 O THR A 36 9.056 -4.883 0.939 1.00 0.00 O ATOM 543 CB THR A 36 6.053 -6.093 0.579 1.00 0.00 C ATOM 544 OG1 THR A 36 4.682 -5.965 0.915 1.00 0.00 O ATOM 545 CG2 THR A 36 6.308 -7.517 0.195 1.00 0.00 C ATOM 0 H THR A 36 7.167 -3.569 1.470 1.00 0.00 H new ATOM 0 HA THR A 36 6.727 -6.207 2.653 1.00 0.00 H new ATOM 0 HB THR A 36 6.313 -5.460 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.387 -5.047 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.661 -7.791 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.350 -7.633 -0.102 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.099 -8.166 1.045 1.00 0.00 H new ATOM 553 N ALA A 37 8.937 -6.986 1.653 1.00 0.00 N ATOM 554 CA ALA A 37 10.295 -7.316 1.286 1.00 0.00 C ATOM 555 C ALA A 37 10.263 -8.339 0.164 1.00 0.00 C ATOM 556 O ALA A 37 9.595 -9.369 0.271 1.00 0.00 O ATOM 557 CB ALA A 37 11.057 -7.865 2.478 1.00 0.00 C ATOM 0 H ALA A 37 8.433 -7.743 2.114 1.00 0.00 H new ATOM 0 HA ALA A 37 10.808 -6.415 0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.077 -8.107 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.079 -7.118 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.563 -8.766 2.842 1.00 0.00 H new ATOM 563 N SER A 38 10.967 -8.063 -0.900 1.00 0.00 N ATOM 564 CA SER A 38 10.997 -8.940 -2.066 1.00 0.00 C ATOM 565 C SER A 38 11.630 -10.328 -1.779 1.00 0.00 C ATOM 566 O SER A 38 11.434 -11.269 -2.545 1.00 0.00 O ATOM 567 CB SER A 38 11.715 -8.246 -3.222 1.00 0.00 C ATOM 568 OG SER A 38 11.065 -7.017 -3.558 1.00 0.00 O ATOM 0 H SER A 38 11.541 -7.225 -0.995 1.00 0.00 H new ATOM 0 HA SER A 38 9.960 -9.135 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.752 -8.051 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.733 -8.903 -4.092 1.00 0.00 H new ATOM 0 HG SER A 38 11.460 -6.286 -3.039 1.00 0.00 H new ATOM 574 N TRP A 39 12.369 -10.451 -0.686 1.00 0.00 N ATOM 575 CA TRP A 39 13.044 -11.704 -0.365 1.00 0.00 C ATOM 576 C TRP A 39 12.194 -12.693 0.446 1.00 0.00 C ATOM 577 O TRP A 39 12.606 -13.836 0.647 1.00 0.00 O ATOM 578 CB TRP A 39 14.414 -11.460 0.293 1.00 0.00 C ATOM 579 CG TRP A 39 14.398 -10.560 1.493 1.00 0.00 C ATOM 580 CD1 TRP A 39 14.751 -9.260 1.504 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.024 -10.886 2.850 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.632 -8.741 2.760 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.187 -9.713 3.609 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.571 -12.044 3.492 1.00 0.00 C ATOM 585 CZ2 TRP A 39 13.918 -9.659 4.969 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.301 -11.989 4.847 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.474 -10.802 5.571 1.00 0.00 C ATOM 0 H TRP A 39 12.517 -9.703 -0.008 1.00 0.00 H new ATOM 0 HA TRP A 39 13.209 -12.192 -1.326 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.834 -12.422 0.587 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.085 -11.033 -0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.082 -8.706 0.638 1.00 0.00 H new ATOM 0 HE1 TRP A 39 14.842 -7.778 3.023 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.435 -12.962 2.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.055 -8.747 5.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.951 -12.875 5.355 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.252 -10.790 6.628 1.00 0.00 H new ATOM 598 N CYS A 40 11.033 -12.280 0.909 1.00 0.00 N ATOM 599 CA CYS A 40 10.185 -13.189 1.675 1.00 0.00 C ATOM 600 C CYS A 40 9.070 -13.828 0.831 1.00 0.00 C ATOM 601 O CYS A 40 8.420 -13.156 0.022 1.00 0.00 O ATOM 602 CB CYS A 40 9.698 -12.569 3.012 1.00 0.00 C ATOM 603 SG CYS A 40 9.106 -10.830 2.930 1.00 0.00 S ATOM 0 H CYS A 40 10.654 -11.342 0.776 1.00 0.00 H new ATOM 0 HA CYS A 40 10.818 -14.027 1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.891 -13.188 3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.515 -12.619 3.731 1.00 0.00 H new ATOM 608 N GLY A 41 8.875 -15.138 1.026 1.00 0.00 N ATOM 609 CA GLY A 41 7.925 -15.940 0.234 1.00 0.00 C ATOM 610 C GLY A 41 6.484 -15.426 0.220 1.00 0.00 C ATOM 611 O GLY A 41 5.957 -15.120 -0.862 1.00 0.00 O ATOM 0 H GLY A 41 9.370 -15.675 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.285 -15.989 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.926 -16.959 0.621 1.00 0.00 H new ATOM 615 N PRO A 42 5.796 -15.319 1.401 1.00 0.00 N ATOM 616 CA PRO A 42 4.404 -14.824 1.469 1.00 0.00 C ATOM 617 C PRO A 42 4.293 -13.418 0.892 1.00 0.00 C ATOM 618 O PRO A 42 3.285 -13.042 0.318 1.00 0.00 O ATOM 619 CB PRO A 42 4.087 -14.813 2.979 1.00 0.00 C ATOM 620 CG PRO A 42 5.414 -14.896 3.656 1.00 0.00 C ATOM 621 CD PRO A 42 6.298 -15.686 2.739 1.00 0.00 C ATOM 0 HA PRO A 42 3.715 -15.442 0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.556 -13.905 3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.451 -15.654 3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.825 -13.902 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.326 -15.382 4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.348 -15.422 2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.215 -16.757 2.922 1.00 0.00 H new ATOM 629 N CYS A 43 5.362 -12.682 1.028 1.00 0.00 N ATOM 630 CA CYS A 43 5.464 -11.325 0.554 1.00 0.00 C ATOM 631 C CYS A 43 5.441 -11.310 -0.971 1.00 0.00 C ATOM 632 O CYS A 43 4.680 -10.577 -1.595 1.00 0.00 O ATOM 633 CB CYS A 43 6.785 -10.769 1.026 1.00 0.00 C ATOM 634 SG CYS A 43 7.086 -10.941 2.806 1.00 0.00 S ATOM 0 H CYS A 43 6.211 -13.017 1.484 1.00 0.00 H new ATOM 0 HA CYS A 43 4.632 -10.731 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.588 -11.269 0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.834 -9.712 0.763 1.00 0.00 H new ATOM 639 N ARG A 44 6.273 -12.143 -1.556 1.00 0.00 N ATOM 640 CA ARG A 44 6.377 -12.265 -2.991 1.00 0.00 C ATOM 641 C ARG A 44 5.070 -12.812 -3.573 1.00 0.00 C ATOM 642 O ARG A 44 4.680 -12.464 -4.672 1.00 0.00 O ATOM 643 CB ARG A 44 7.569 -13.165 -3.332 1.00 0.00 C ATOM 644 CG ARG A 44 7.804 -13.387 -4.811 1.00 0.00 C ATOM 645 CD ARG A 44 9.050 -14.223 -5.042 1.00 0.00 C ATOM 646 NE ARG A 44 10.261 -13.564 -4.534 1.00 0.00 N ATOM 647 CZ ARG A 44 11.425 -14.181 -4.276 1.00 0.00 C ATOM 648 NH1 ARG A 44 11.550 -15.505 -4.450 1.00 0.00 N ATOM 649 NH2 ARG A 44 12.459 -13.476 -3.840 1.00 0.00 N ATOM 0 H ARG A 44 6.902 -12.760 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 44 6.545 -11.285 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.469 -12.729 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.422 -14.133 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.940 -13.886 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.907 -12.426 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.932 -15.190 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.164 -14.416 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 44 10.214 -12.559 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.756 -16.053 -4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.439 -15.964 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.368 -12.469 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.346 -13.940 -3.642 1.00 0.00 H new ATOM 663 N PHE A 45 4.396 -13.636 -2.798 1.00 0.00 N ATOM 664 CA PHE A 45 3.129 -14.226 -3.205 1.00 0.00 C ATOM 665 C PHE A 45 1.984 -13.211 -3.131 1.00 0.00 C ATOM 666 O PHE A 45 1.061 -13.238 -3.948 1.00 0.00 O ATOM 667 CB PHE A 45 2.815 -15.459 -2.334 1.00 0.00 C ATOM 668 CG PHE A 45 1.493 -16.118 -2.642 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.356 -16.954 -3.736 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.384 -15.886 -1.836 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.143 -17.548 -4.022 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.829 -16.475 -2.120 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.950 -17.307 -3.212 1.00 0.00 C ATOM 0 H PHE A 45 4.707 -13.918 -1.868 1.00 0.00 H new ATOM 0 HA PHE A 45 3.223 -14.538 -4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.611 -16.192 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.823 -15.160 -1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.207 -17.144 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.474 -15.237 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.049 -18.200 -4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.684 -16.285 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.900 -17.771 -3.435 1.00 0.00 H new ATOM 683 N ILE A 46 2.057 -12.300 -2.187 1.00 0.00 N ATOM 684 CA ILE A 46 0.962 -11.374 -1.978 1.00 0.00 C ATOM 685 C ILE A 46 1.116 -10.139 -2.892 1.00 0.00 C ATOM 686 O ILE A 46 0.145 -9.429 -3.169 1.00 0.00 O ATOM 687 CB ILE A 46 0.867 -10.939 -0.471 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.484 -10.308 -0.157 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.984 -9.981 -0.088 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.627 -11.279 -0.287 1.00 0.00 C ATOM 0 H ILE A 46 2.851 -12.179 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 46 0.035 -11.885 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 46 0.975 -11.847 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.466 -9.909 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.651 -9.466 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.882 -9.704 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.948 -10.465 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.923 -9.086 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.563 -10.773 -0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.667 -11.659 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.480 -12.109 0.404 1.00 0.00 H new ATOM 702 N ALA A 47 2.336 -9.921 -3.383 1.00 0.00 N ATOM 703 CA ALA A 47 2.644 -8.786 -4.250 1.00 0.00 C ATOM 704 C ALA A 47 1.741 -8.708 -5.512 1.00 0.00 C ATOM 705 O ALA A 47 1.124 -7.663 -5.749 1.00 0.00 O ATOM 706 CB ALA A 47 4.133 -8.728 -4.600 1.00 0.00 C ATOM 0 H ALA A 47 3.136 -10.525 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 47 2.410 -7.893 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.322 -7.871 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.718 -8.629 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.421 -9.643 -5.118 1.00 0.00 H new ATOM 712 N PRO A 48 1.615 -9.805 -6.339 1.00 0.00 N ATOM 713 CA PRO A 48 0.753 -9.785 -7.536 1.00 0.00 C ATOM 714 C PRO A 48 -0.715 -9.571 -7.171 1.00 0.00 C ATOM 715 O PRO A 48 -1.494 -9.000 -7.947 1.00 0.00 O ATOM 716 CB PRO A 48 0.940 -11.182 -8.145 1.00 0.00 C ATOM 717 CG PRO A 48 2.229 -11.664 -7.592 1.00 0.00 C ATOM 718 CD PRO A 48 2.290 -11.119 -6.205 1.00 0.00 C ATOM 0 HA PRO A 48 1.017 -8.973 -8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.119 -11.846 -7.873 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.967 -11.139 -9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.273 -12.753 -7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.070 -11.313 -8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.778 -11.766 -5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.317 -11.012 -5.857 1.00 0.00 H new ATOM 726 N PHE A 49 -1.087 -10.003 -5.975 1.00 0.00 N ATOM 727 CA PHE A 49 -2.450 -9.863 -5.518 1.00 0.00 C ATOM 728 C PHE A 49 -2.732 -8.408 -5.150 1.00 0.00 C ATOM 729 O PHE A 49 -3.782 -7.870 -5.489 1.00 0.00 O ATOM 730 CB PHE A 49 -2.742 -10.807 -4.338 1.00 0.00 C ATOM 731 CG PHE A 49 -4.177 -10.777 -3.885 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.153 -11.414 -4.627 1.00 0.00 C ATOM 733 CD2 PHE A 49 -4.549 -10.100 -2.734 1.00 0.00 C ATOM 734 CE1 PHE A 49 -6.472 -11.385 -4.234 1.00 0.00 C ATOM 735 CE2 PHE A 49 -5.873 -10.064 -2.334 1.00 0.00 C ATOM 736 CZ PHE A 49 -6.834 -10.711 -3.089 1.00 0.00 C ATOM 0 H PHE A 49 -0.460 -10.453 -5.308 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.119 -10.148 -6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.481 -11.826 -4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.099 -10.538 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.877 -11.942 -5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.798 -9.596 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.223 -11.891 -4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.155 -9.533 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.869 -10.688 -2.781 1.00 0.00 H new ATOM 746 N PHE A 50 -1.780 -7.770 -4.486 1.00 0.00 N ATOM 747 CA PHE A 50 -1.916 -6.365 -4.115 1.00 0.00 C ATOM 748 C PHE A 50 -1.945 -5.505 -5.382 1.00 0.00 C ATOM 749 O PHE A 50 -2.635 -4.489 -5.444 1.00 0.00 O ATOM 750 CB PHE A 50 -0.785 -5.936 -3.166 1.00 0.00 C ATOM 751 CG PHE A 50 -0.928 -4.537 -2.621 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.686 -4.301 -1.487 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.306 -3.465 -3.240 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.822 -3.024 -0.979 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.439 -2.187 -2.736 1.00 0.00 C ATOM 756 CZ PHE A 50 -1.198 -1.966 -1.605 1.00 0.00 C ATOM 0 H PHE A 50 -0.904 -8.201 -4.192 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.854 -6.224 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.742 -6.636 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.165 -6.012 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.177 -5.126 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.289 -3.631 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.416 -2.855 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.051 -1.359 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.303 -0.966 -1.211 1.00 0.00 H new ATOM 766 N ALA A 51 -1.205 -5.937 -6.394 1.00 0.00 N ATOM 767 CA ALA A 51 -1.204 -5.262 -7.686 1.00 0.00 C ATOM 768 C ALA A 51 -2.593 -5.340 -8.333 1.00 0.00 C ATOM 769 O ALA A 51 -3.026 -4.413 -9.027 1.00 0.00 O ATOM 770 CB ALA A 51 -0.148 -5.859 -8.597 1.00 0.00 C ATOM 0 H ALA A 51 -0.596 -6.754 -6.345 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.961 -4.211 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.162 -5.343 -9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.834 -5.746 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.357 -6.918 -8.751 1.00 0.00 H new ATOM 776 N ASP A 52 -3.304 -6.437 -8.074 1.00 0.00 N ATOM 777 CA ASP A 52 -4.664 -6.608 -8.597 1.00 0.00 C ATOM 778 C ASP A 52 -5.574 -5.669 -7.889 1.00 0.00 C ATOM 779 O ASP A 52 -6.393 -4.999 -8.509 1.00 0.00 O ATOM 780 CB ASP A 52 -5.172 -8.018 -8.397 1.00 0.00 C ATOM 781 CG ASP A 52 -6.547 -8.218 -9.023 1.00 0.00 C ATOM 782 OD1 ASP A 52 -6.640 -8.281 -10.277 1.00 0.00 O ATOM 783 OD2 ASP A 52 -7.553 -8.281 -8.286 1.00 0.00 O ATOM 0 H ASP A 52 -2.966 -7.217 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.641 -6.403 -9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.467 -8.724 -8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.222 -8.238 -7.331 1.00 0.00 H new ATOM 788 N LEU A 53 -5.413 -5.631 -6.585 1.00 0.00 N ATOM 789 CA LEU A 53 -6.130 -4.747 -5.706 1.00 0.00 C ATOM 790 C LEU A 53 -5.964 -3.284 -6.142 1.00 0.00 C ATOM 791 O LEU A 53 -6.918 -2.504 -6.110 1.00 0.00 O ATOM 792 CB LEU A 53 -5.603 -4.935 -4.291 1.00 0.00 C ATOM 793 CG LEU A 53 -5.819 -6.297 -3.644 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.243 -6.311 -2.239 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.294 -6.659 -3.608 1.00 0.00 C ATOM 0 H LEU A 53 -4.755 -6.237 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.193 -4.986 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.532 -4.731 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.067 -4.181 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.301 -7.042 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.405 -7.291 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.174 -6.104 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.736 -5.549 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.418 -7.636 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.838 -5.910 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.686 -6.691 -4.625 1.00 0.00 H new ATOM 807 N ALA A 54 -4.757 -2.939 -6.567 1.00 0.00 N ATOM 808 CA ALA A 54 -4.443 -1.601 -7.054 1.00 0.00 C ATOM 809 C ALA A 54 -5.241 -1.267 -8.312 1.00 0.00 C ATOM 810 O ALA A 54 -5.663 -0.134 -8.517 1.00 0.00 O ATOM 811 CB ALA A 54 -2.952 -1.474 -7.321 1.00 0.00 C ATOM 0 H ALA A 54 -3.964 -3.581 -6.584 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.725 -0.886 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.732 -0.470 -7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.400 -1.655 -6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.653 -2.205 -8.072 1.00 0.00 H new ATOM 817 N LYS A 55 -5.435 -2.262 -9.143 1.00 0.00 N ATOM 818 CA LYS A 55 -6.208 -2.111 -10.353 1.00 0.00 C ATOM 819 C LYS A 55 -7.702 -2.160 -10.025 1.00 0.00 C ATOM 820 O LYS A 55 -8.523 -1.553 -10.706 1.00 0.00 O ATOM 821 CB LYS A 55 -5.767 -3.203 -11.370 1.00 0.00 C ATOM 822 CG LYS A 55 -6.490 -3.234 -12.738 1.00 0.00 C ATOM 823 CD LYS A 55 -7.906 -3.868 -12.713 1.00 0.00 C ATOM 824 CE LYS A 55 -7.910 -5.413 -12.528 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.320 -5.876 -11.249 1.00 0.00 N ATOM 0 H LYS A 55 -5.061 -3.200 -9.000 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.026 -1.141 -10.815 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.700 -3.080 -11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.898 -4.176 -10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.571 -2.214 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.873 -3.786 -13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.480 -3.415 -11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.418 -3.623 -13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.937 -5.772 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.362 -5.867 -13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.583 -6.869 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.284 -5.795 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.679 -5.289 -10.469 1.00 0.00 H new ATOM 839 N LYS A 56 -8.027 -2.870 -8.963 1.00 0.00 N ATOM 840 CA LYS A 56 -9.396 -3.065 -8.525 1.00 0.00 C ATOM 841 C LYS A 56 -9.990 -1.731 -8.065 1.00 0.00 C ATOM 842 O LYS A 56 -11.144 -1.423 -8.367 1.00 0.00 O ATOM 843 CB LYS A 56 -9.418 -4.155 -7.394 1.00 0.00 C ATOM 844 CG LYS A 56 -10.796 -4.644 -6.902 1.00 0.00 C ATOM 845 CD LYS A 56 -11.565 -3.595 -6.116 1.00 0.00 C ATOM 846 CE LYS A 56 -12.948 -4.076 -5.746 1.00 0.00 C ATOM 847 NZ LYS A 56 -13.740 -4.427 -6.948 1.00 0.00 N ATOM 0 H LYS A 56 -7.338 -3.335 -8.371 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.016 -3.422 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.862 -5.022 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.875 -3.760 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.392 -4.952 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.658 -5.526 -6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.013 -3.342 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.643 -2.682 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.870 -4.946 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.465 -3.300 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.747 -4.490 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.611 -3.694 -7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.419 -5.344 -7.320 1.00 0.00 H new ATOM 861 N LEU A 57 -9.199 -0.942 -7.361 1.00 0.00 N ATOM 862 CA LEU A 57 -9.644 0.338 -6.886 1.00 0.00 C ATOM 863 C LEU A 57 -8.944 1.483 -7.605 1.00 0.00 C ATOM 864 O LEU A 57 -7.817 1.845 -7.281 1.00 0.00 O ATOM 865 CB LEU A 57 -9.495 0.433 -5.384 1.00 0.00 C ATOM 866 CG LEU A 57 -10.448 -0.444 -4.582 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.097 -0.427 -3.106 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.884 0.022 -4.776 1.00 0.00 C ATOM 0 H LEU A 57 -8.239 -1.176 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.705 0.431 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.472 0.167 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.643 1.471 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.349 -1.466 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.794 -1.062 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.082 -0.800 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.162 0.593 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.554 -0.614 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.981 1.054 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.147 -0.040 -5.832 1.00 0.00 H new ATOM 880 N PRO A 58 -9.614 2.053 -8.613 1.00 0.00 N ATOM 881 CA PRO A 58 -9.053 3.118 -9.443 1.00 0.00 C ATOM 882 C PRO A 58 -8.972 4.480 -8.739 1.00 0.00 C ATOM 883 O PRO A 58 -8.147 5.314 -9.092 1.00 0.00 O ATOM 884 CB PRO A 58 -10.033 3.191 -10.622 1.00 0.00 C ATOM 885 CG PRO A 58 -11.330 2.733 -10.048 1.00 0.00 C ATOM 886 CD PRO A 58 -10.976 1.675 -9.044 1.00 0.00 C ATOM 0 HA PRO A 58 -8.021 2.898 -9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.108 4.205 -11.016 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.714 2.552 -11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.863 3.558 -9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.983 2.334 -10.824 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.674 1.666 -8.207 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.995 0.679 -9.486 1.00 0.00 H new ATOM 894 N ASN A 59 -9.810 4.716 -7.752 1.00 0.00 N ATOM 895 CA ASN A 59 -9.805 6.029 -7.098 1.00 0.00 C ATOM 896 C ASN A 59 -8.917 5.992 -5.849 1.00 0.00 C ATOM 897 O ASN A 59 -8.823 6.956 -5.091 1.00 0.00 O ATOM 898 CB ASN A 59 -11.234 6.462 -6.750 1.00 0.00 C ATOM 899 CG ASN A 59 -11.348 7.908 -6.247 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.524 8.806 -6.760 1.00 0.00 O flip ATOM 901 ND2 ASN A 59 -12.202 8.218 -5.427 1.00 0.00 N flip ATOM 0 H ASN A 59 -10.487 4.047 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.393 6.766 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.862 6.346 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.629 5.791 -5.987 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.826 7.506 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.290 9.188 -5.124 1.00 0.00 H new ATOM 908 N VAL A 60 -8.260 4.878 -5.660 1.00 0.00 N ATOM 909 CA VAL A 60 -7.378 4.689 -4.540 1.00 0.00 C ATOM 910 C VAL A 60 -5.960 4.593 -5.066 1.00 0.00 C ATOM 911 O VAL A 60 -5.721 3.945 -6.088 1.00 0.00 O ATOM 912 CB VAL A 60 -7.742 3.415 -3.739 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.863 3.270 -2.506 1.00 0.00 C ATOM 914 CG2 VAL A 60 -9.208 3.440 -3.353 1.00 0.00 C ATOM 0 H VAL A 60 -8.322 4.072 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.476 5.534 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.563 2.549 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.142 2.366 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.818 3.203 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.998 4.137 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.451 2.539 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.407 4.317 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.821 3.482 -4.254 1.00 0.00 H new ATOM 924 N LEU A 61 -5.044 5.271 -4.426 1.00 0.00 N ATOM 925 CA LEU A 61 -3.667 5.273 -4.865 1.00 0.00 C ATOM 926 C LEU A 61 -2.902 4.246 -4.001 1.00 0.00 C ATOM 927 O LEU A 61 -2.897 4.341 -2.769 1.00 0.00 O ATOM 928 CB LEU A 61 -3.096 6.714 -4.712 1.00 0.00 C ATOM 929 CG LEU A 61 -1.838 7.110 -5.537 1.00 0.00 C ATOM 930 CD1 LEU A 61 -1.476 8.563 -5.280 1.00 0.00 C ATOM 931 CD2 LEU A 61 -0.646 6.222 -5.250 1.00 0.00 C ATOM 0 H LEU A 61 -5.225 5.833 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.568 4.991 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.892 7.414 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.862 6.867 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.094 6.974 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.594 8.827 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.309 9.203 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.265 8.703 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.202 6.545 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.387 6.291 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.894 5.189 -5.496 1.00 0.00 H new ATOM 943 N PHE A 62 -2.302 3.264 -4.638 1.00 0.00 N ATOM 944 CA PHE A 62 -1.586 2.198 -3.938 1.00 0.00 C ATOM 945 C PHE A 62 -0.097 2.285 -4.204 1.00 0.00 C ATOM 946 O PHE A 62 0.334 2.634 -5.314 1.00 0.00 O ATOM 947 CB PHE A 62 -2.059 0.821 -4.382 1.00 0.00 C ATOM 948 CG PHE A 62 -3.511 0.510 -4.147 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.490 0.986 -4.998 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.890 -0.290 -3.086 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.812 0.673 -4.795 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.215 -0.602 -2.873 1.00 0.00 C ATOM 953 CZ PHE A 62 -6.176 -0.121 -3.728 1.00 0.00 C ATOM 0 H PHE A 62 -2.292 3.174 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.791 2.331 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.854 0.716 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.460 0.070 -3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.212 1.612 -5.833 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.137 -0.676 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.566 1.049 -5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.497 -1.223 -2.036 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.216 -0.364 -3.565 1.00 0.00 H new ATOM 963 N LEU A 63 0.689 1.965 -3.205 1.00 0.00 N ATOM 964 CA LEU A 63 2.128 1.996 -3.323 1.00 0.00 C ATOM 965 C LEU A 63 2.757 0.710 -2.835 1.00 0.00 C ATOM 966 O LEU A 63 2.301 0.125 -1.865 1.00 0.00 O ATOM 967 CB LEU A 63 2.763 3.146 -2.529 1.00 0.00 C ATOM 968 CG LEU A 63 2.413 4.583 -2.913 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.024 4.966 -2.443 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.444 5.542 -2.366 1.00 0.00 C ATOM 0 H LEU A 63 0.350 1.676 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 63 2.321 2.137 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.498 3.010 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.845 3.039 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 63 2.419 4.645 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.812 5.995 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.290 4.301 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.970 4.878 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.179 6.561 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.474 5.463 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.424 5.295 -2.775 1.00 0.00 H new ATOM 982 N LYS A 64 3.803 0.286 -3.518 1.00 0.00 N ATOM 983 CA LYS A 64 4.605 -0.819 -3.123 1.00 0.00 C ATOM 984 C LYS A 64 5.901 -0.282 -2.564 1.00 0.00 C ATOM 985 O LYS A 64 6.681 0.360 -3.278 1.00 0.00 O ATOM 986 CB LYS A 64 4.913 -1.707 -4.328 1.00 0.00 C ATOM 987 CG LYS A 64 3.764 -2.563 -4.837 1.00 0.00 C ATOM 988 CD LYS A 64 3.334 -3.631 -3.829 1.00 0.00 C ATOM 989 CE LYS A 64 4.430 -4.670 -3.593 1.00 0.00 C ATOM 990 NZ LYS A 64 4.052 -5.657 -2.550 1.00 0.00 N ATOM 0 H LYS A 64 4.114 0.724 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 64 4.074 -1.410 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.256 -1.071 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.742 -2.365 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.913 -1.922 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.060 -3.046 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.077 -3.154 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.434 -4.129 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.640 -5.193 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.349 -4.165 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.524 -6.563 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.345 -5.305 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.021 -5.795 -2.560 1.00 0.00 H new ATOM 1004 N VAL A 65 6.119 -0.510 -1.317 1.00 0.00 N ATOM 1005 CA VAL A 65 7.315 -0.082 -0.658 1.00 0.00 C ATOM 1006 C VAL A 65 8.107 -1.293 -0.252 1.00 0.00 C ATOM 1007 O VAL A 65 7.635 -2.120 0.529 1.00 0.00 O ATOM 1008 CB VAL A 65 6.991 0.781 0.599 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.264 1.180 1.342 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.201 2.020 0.205 1.00 0.00 C ATOM 0 H VAL A 65 5.465 -1.006 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 65 7.893 0.534 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 65 6.384 0.174 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.004 1.781 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.793 0.283 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.905 1.761 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.983 2.611 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.786 2.618 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.266 1.720 -0.269 1.00 0.00 H new ATOM 1020 N ASP A 66 9.285 -1.426 -0.792 1.00 0.00 N ATOM 1021 CA ASP A 66 10.119 -2.532 -0.421 1.00 0.00 C ATOM 1022 C ASP A 66 10.951 -2.128 0.761 1.00 0.00 C ATOM 1023 O ASP A 66 11.582 -1.072 0.752 1.00 0.00 O ATOM 1024 CB ASP A 66 10.987 -2.996 -1.559 1.00 0.00 C ATOM 1025 CG ASP A 66 11.772 -4.244 -1.211 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.856 -4.133 -0.611 1.00 0.00 O ATOM 1027 OD2 ASP A 66 11.308 -5.363 -1.548 1.00 0.00 O ATOM 0 H ASP A 66 9.686 -0.791 -1.482 1.00 0.00 H new ATOM 0 HA ASP A 66 9.484 -3.378 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.364 -3.193 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.678 -2.199 -1.834 1.00 0.00 H new ATOM 1032 N THR A 67 10.938 -2.935 1.769 1.00 0.00 N ATOM 1033 CA THR A 67 11.576 -2.624 3.020 1.00 0.00 C ATOM 1034 C THR A 67 13.114 -2.687 2.982 1.00 0.00 C ATOM 1035 O THR A 67 13.777 -2.189 3.902 1.00 0.00 O ATOM 1036 CB THR A 67 10.997 -3.489 4.151 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.118 -4.867 3.788 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.523 -3.166 4.379 1.00 0.00 C ATOM 0 H THR A 67 10.478 -3.845 1.754 1.00 0.00 H new ATOM 0 HA THR A 67 11.348 -1.578 3.222 1.00 0.00 H new ATOM 0 HB THR A 67 11.548 -3.282 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.953 -5.428 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.134 -3.790 5.184 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.419 -2.116 4.651 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.962 -3.361 3.465 1.00 0.00 H new ATOM 1046 N ASP A 68 13.679 -3.331 1.982 1.00 0.00 N ATOM 1047 CA ASP A 68 15.126 -3.318 1.828 1.00 0.00 C ATOM 1048 C ASP A 68 15.519 -2.048 1.120 1.00 0.00 C ATOM 1049 O ASP A 68 16.453 -1.337 1.523 1.00 0.00 O ATOM 1050 CB ASP A 68 15.627 -4.526 1.066 1.00 0.00 C ATOM 1051 CG ASP A 68 17.135 -4.548 0.965 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.808 -4.867 1.975 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.672 -4.252 -0.110 1.00 0.00 O ATOM 0 H ASP A 68 13.173 -3.862 1.273 1.00 0.00 H new ATOM 0 HA ASP A 68 15.584 -3.359 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.284 -5.434 1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.197 -4.527 0.065 1.00 0.00 H new ATOM 1058 N GLU A 69 14.774 -1.773 0.058 1.00 0.00 N ATOM 1059 CA GLU A 69 14.912 -0.594 -0.739 1.00 0.00 C ATOM 1060 C GLU A 69 14.753 0.641 0.127 1.00 0.00 C ATOM 1061 O GLU A 69 15.654 1.485 0.205 1.00 0.00 O ATOM 1062 CB GLU A 69 13.840 -0.595 -1.805 1.00 0.00 C ATOM 1063 CG GLU A 69 13.963 -1.693 -2.857 1.00 0.00 C ATOM 1064 CD GLU A 69 15.221 -1.588 -3.682 1.00 0.00 C ATOM 1065 OE1 GLU A 69 15.230 -0.829 -4.664 1.00 0.00 O ATOM 1066 OE2 GLU A 69 16.215 -2.260 -3.361 1.00 0.00 O ATOM 0 H GLU A 69 14.036 -2.395 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 69 15.900 -0.582 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.869 -0.688 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.853 0.371 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.940 -2.664 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.098 -1.652 -3.519 1.00 0.00 H new ATOM 1073 N LEU A 70 13.620 0.746 0.778 1.00 0.00 N ATOM 1074 CA LEU A 70 13.361 1.798 1.646 1.00 0.00 C ATOM 1075 C LEU A 70 13.429 1.309 3.071 1.00 0.00 C ATOM 1076 O LEU A 70 12.416 1.181 3.769 1.00 0.00 O ATOM 1077 CB LEU A 70 12.037 2.450 1.313 1.00 0.00 C ATOM 1078 CG LEU A 70 11.982 3.225 -0.017 1.00 0.00 C ATOM 1079 CD1 LEU A 70 10.607 3.830 -0.243 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.048 4.313 -0.049 1.00 0.00 C ATOM 0 H LEU A 70 12.857 0.074 0.697 1.00 0.00 H new ATOM 0 HA LEU A 70 14.123 2.569 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.269 1.677 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.778 3.135 2.121 1.00 0.00 H new ATOM 0 HG LEU A 70 12.179 2.518 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.599 4.371 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.861 3.036 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.374 4.518 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.993 4.849 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.881 5.010 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.034 3.860 0.054 1.00 0.00 H new ATOM 1092 N LYS A 71 14.639 0.983 3.474 1.00 0.00 N ATOM 1093 CA LYS A 71 14.918 0.454 4.792 1.00 0.00 C ATOM 1094 C LYS A 71 14.695 1.507 5.862 1.00 0.00 C ATOM 1095 O LYS A 71 14.277 1.197 6.981 1.00 0.00 O ATOM 1096 CB LYS A 71 16.350 -0.108 4.857 1.00 0.00 C ATOM 1097 CG LYS A 71 17.433 0.906 4.511 1.00 0.00 C ATOM 1098 CD LYS A 71 18.838 0.350 4.687 1.00 0.00 C ATOM 1099 CE LYS A 71 19.116 -0.829 3.771 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.500 -1.319 3.921 1.00 0.00 N ATOM 0 H LYS A 71 15.468 1.079 2.887 1.00 0.00 H new ATOM 0 HA LYS A 71 14.223 -0.363 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.533 -0.491 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.428 -0.954 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.303 1.232 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.314 1.787 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.565 1.138 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.976 0.041 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.418 -1.636 3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.944 -0.535 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.655 -2.124 3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.166 -0.556 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.656 -1.623 4.903 1.00 0.00 H new ATOM 1114 N SER A 72 14.947 2.745 5.510 1.00 0.00 N ATOM 1115 CA SER A 72 14.782 3.838 6.421 1.00 0.00 C ATOM 1116 C SER A 72 13.304 4.078 6.696 1.00 0.00 C ATOM 1117 O SER A 72 12.895 4.218 7.843 1.00 0.00 O ATOM 1118 CB SER A 72 15.448 5.062 5.827 1.00 0.00 C ATOM 1119 OG SER A 72 14.986 5.268 4.501 1.00 0.00 O ATOM 0 H SER A 72 15.272 3.017 4.582 1.00 0.00 H new ATOM 0 HA SER A 72 15.252 3.609 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.229 5.938 6.438 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.531 4.934 5.828 1.00 0.00 H new ATOM 0 HG SER A 72 15.419 6.062 4.123 1.00 0.00 H new ATOM 1125 N VAL A 73 12.512 4.059 5.637 1.00 0.00 N ATOM 1126 CA VAL A 73 11.073 4.240 5.729 1.00 0.00 C ATOM 1127 C VAL A 73 10.458 3.104 6.536 1.00 0.00 C ATOM 1128 O VAL A 73 9.637 3.323 7.426 1.00 0.00 O ATOM 1129 CB VAL A 73 10.429 4.292 4.319 1.00 0.00 C ATOM 1130 CG1 VAL A 73 8.922 4.458 4.409 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.039 5.422 3.497 1.00 0.00 C ATOM 0 H VAL A 73 12.851 3.917 4.685 1.00 0.00 H new ATOM 0 HA VAL A 73 10.879 5.188 6.230 1.00 0.00 H new ATOM 0 HB VAL A 73 10.634 3.344 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.499 4.491 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.495 3.617 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.689 5.386 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.576 5.445 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.866 6.373 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.111 5.257 3.391 1.00 0.00 H new ATOM 1141 N ALA A 74 10.896 1.897 6.243 1.00 0.00 N ATOM 1142 CA ALA A 74 10.417 0.719 6.930 1.00 0.00 C ATOM 1143 C ALA A 74 10.742 0.774 8.420 1.00 0.00 C ATOM 1144 O ALA A 74 9.941 0.355 9.255 1.00 0.00 O ATOM 1145 CB ALA A 74 11.017 -0.517 6.308 1.00 0.00 C ATOM 0 H ALA A 74 11.593 1.707 5.523 1.00 0.00 H new ATOM 0 HA ALA A 74 9.332 0.683 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.652 -1.401 6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.730 -0.572 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.103 -0.473 6.385 1.00 0.00 H new ATOM 1151 N SER A 75 11.904 1.293 8.749 1.00 0.00 N ATOM 1152 CA SER A 75 12.300 1.401 10.127 1.00 0.00 C ATOM 1153 C SER A 75 11.546 2.566 10.803 1.00 0.00 C ATOM 1154 O SER A 75 11.138 2.469 11.958 1.00 0.00 O ATOM 1155 CB SER A 75 13.826 1.585 10.225 1.00 0.00 C ATOM 1156 OG SER A 75 14.276 1.545 11.566 1.00 0.00 O ATOM 0 H SER A 75 12.588 1.645 8.079 1.00 0.00 H new ATOM 0 HA SER A 75 12.039 0.482 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.324 0.803 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.107 2.538 9.776 1.00 0.00 H new ATOM 0 HG SER A 75 15.249 1.664 11.588 1.00 0.00 H new ATOM 1162 N ASP A 76 11.329 3.639 10.052 1.00 0.00 N ATOM 1163 CA ASP A 76 10.669 4.853 10.566 1.00 0.00 C ATOM 1164 C ASP A 76 9.201 4.586 10.917 1.00 0.00 C ATOM 1165 O ASP A 76 8.686 5.089 11.917 1.00 0.00 O ATOM 1166 CB ASP A 76 10.764 5.972 9.517 1.00 0.00 C ATOM 1167 CG ASP A 76 10.175 7.284 9.973 1.00 0.00 C ATOM 1168 OD1 ASP A 76 10.919 8.109 10.552 1.00 0.00 O ATOM 1169 OD2 ASP A 76 8.979 7.523 9.745 1.00 0.00 O ATOM 0 H ASP A 76 11.601 3.701 9.071 1.00 0.00 H new ATOM 0 HA ASP A 76 11.179 5.160 11.479 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.811 6.125 9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.253 5.651 8.609 1.00 0.00 H new ATOM 1174 N TRP A 77 8.546 3.769 10.120 1.00 0.00 N ATOM 1175 CA TRP A 77 7.157 3.418 10.358 1.00 0.00 C ATOM 1176 C TRP A 77 7.026 2.189 11.243 1.00 0.00 C ATOM 1177 O TRP A 77 5.914 1.753 11.569 1.00 0.00 O ATOM 1178 CB TRP A 77 6.400 3.250 9.046 1.00 0.00 C ATOM 1179 CG TRP A 77 6.217 4.541 8.294 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.137 5.184 7.517 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.029 5.341 8.248 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.597 6.334 7.003 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.306 6.451 7.432 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.760 5.225 8.819 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.362 7.440 7.173 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.824 6.206 8.560 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.130 7.300 7.744 1.00 0.00 C ATOM 0 H TRP A 77 8.955 3.331 9.294 1.00 0.00 H new ATOM 0 HA TRP A 77 6.700 4.246 10.899 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.936 2.542 8.414 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.422 2.816 9.252 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.143 4.837 7.334 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.082 6.996 6.397 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.516 4.384 9.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.595 8.286 6.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.839 6.127 8.995 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.375 8.050 7.562 1.00 0.00 H new ATOM 1198 N ALA A 78 8.177 1.664 11.649 1.00 0.00 N ATOM 1199 CA ALA A 78 8.295 0.495 12.512 1.00 0.00 C ATOM 1200 C ALA A 78 7.629 -0.746 11.925 1.00 0.00 C ATOM 1201 O ALA A 78 6.588 -1.212 12.408 1.00 0.00 O ATOM 1202 CB ALA A 78 7.827 0.777 13.942 1.00 0.00 C ATOM 0 H ALA A 78 9.081 2.052 11.378 1.00 0.00 H new ATOM 0 HA ALA A 78 9.360 0.271 12.567 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.935 -0.125 14.545 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.432 1.575 14.372 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.780 1.082 13.929 1.00 0.00 H new ATOM 1208 N ILE A 79 8.200 -1.239 10.850 1.00 0.00 N ATOM 1209 CA ILE A 79 7.703 -2.433 10.211 1.00 0.00 C ATOM 1210 C ILE A 79 8.470 -3.623 10.754 1.00 0.00 C ATOM 1211 O ILE A 79 9.584 -3.931 10.306 1.00 0.00 O ATOM 1212 CB ILE A 79 7.832 -2.358 8.659 1.00 0.00 C ATOM 1213 CG1 ILE A 79 7.118 -1.099 8.110 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.284 -3.620 7.994 1.00 0.00 C ATOM 1215 CD1 ILE A 79 5.639 -1.001 8.462 1.00 0.00 C ATOM 0 H ILE A 79 9.016 -0.827 10.398 1.00 0.00 H new ATOM 0 HA ILE A 79 6.641 -2.537 10.432 1.00 0.00 H new ATOM 0 HB ILE A 79 8.893 -2.287 8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.628 -0.214 8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.221 -1.084 7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.389 -3.536 6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.841 -4.488 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.231 -3.737 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.223 -0.088 8.036 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.111 -1.864 8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.523 -0.981 9.546 1.00 0.00 H new ATOM 1227 N GLN A 80 7.900 -4.245 11.749 1.00 0.00 N ATOM 1228 CA GLN A 80 8.531 -5.345 12.448 1.00 0.00 C ATOM 1229 C GLN A 80 8.246 -6.662 11.741 1.00 0.00 C ATOM 1230 O GLN A 80 9.123 -7.510 11.606 1.00 0.00 O ATOM 1231 CB GLN A 80 8.022 -5.380 13.896 1.00 0.00 C ATOM 1232 CG GLN A 80 8.658 -6.443 14.783 1.00 0.00 C ATOM 1233 CD GLN A 80 8.147 -6.378 16.215 1.00 0.00 C ATOM 1234 OE1 GLN A 80 7.784 -5.315 16.713 1.00 0.00 O ATOM 1235 NE2 GLN A 80 8.114 -7.501 16.885 1.00 0.00 N ATOM 0 H GLN A 80 6.975 -4.005 12.106 1.00 0.00 H new ATOM 0 HA GLN A 80 9.611 -5.199 12.453 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.193 -4.403 14.348 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.944 -5.540 13.881 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.451 -7.430 14.370 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.741 -6.317 14.779 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.422 -8.367 16.444 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.780 -7.510 17.849 1.00 0.00 H new ATOM 1244 N ALA A 81 7.036 -6.809 11.263 1.00 0.00 N ATOM 1245 CA ALA A 81 6.630 -8.035 10.608 1.00 0.00 C ATOM 1246 C ALA A 81 6.152 -7.721 9.210 1.00 0.00 C ATOM 1247 O ALA A 81 5.289 -6.873 9.019 1.00 0.00 O ATOM 1248 CB ALA A 81 5.557 -8.750 11.416 1.00 0.00 C ATOM 0 H ALA A 81 6.310 -6.094 11.314 1.00 0.00 H new ATOM 0 HA ALA A 81 7.484 -8.709 10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.268 -9.668 10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.947 -8.993 12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.687 -8.102 11.519 1.00 0.00 H new ATOM 1254 N MET A 82 6.714 -8.383 8.247 1.00 0.00 N ATOM 1255 CA MET A 82 6.440 -8.090 6.861 1.00 0.00 C ATOM 1256 C MET A 82 5.589 -9.178 6.238 1.00 0.00 C ATOM 1257 O MET A 82 5.708 -10.350 6.609 1.00 0.00 O ATOM 1258 CB MET A 82 7.763 -7.973 6.114 1.00 0.00 C ATOM 1259 CG MET A 82 8.667 -6.893 6.675 1.00 0.00 C ATOM 1260 SD MET A 82 10.291 -6.859 5.907 1.00 0.00 S ATOM 1261 CE MET A 82 10.905 -8.476 6.380 1.00 0.00 C ATOM 0 H MET A 82 7.377 -9.144 8.392 1.00 0.00 H new ATOM 0 HA MET A 82 5.888 -7.152 6.795 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.282 -8.931 6.154 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.563 -7.762 5.063 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.189 -5.923 6.542 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.783 -7.046 7.748 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.954 -8.398 6.665 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.327 -8.852 7.224 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.808 -9.163 5.539 1.00 0.00 H new ATOM 1271 N PRO A 83 4.712 -8.834 5.289 1.00 0.00 N ATOM 1272 CA PRO A 83 4.471 -7.461 4.836 1.00 0.00 C ATOM 1273 C PRO A 83 3.473 -6.735 5.731 1.00 0.00 C ATOM 1274 O PRO A 83 2.677 -7.357 6.419 1.00 0.00 O ATOM 1275 CB PRO A 83 3.851 -7.647 3.438 1.00 0.00 C ATOM 1276 CG PRO A 83 3.823 -9.119 3.199 1.00 0.00 C ATOM 1277 CD PRO A 83 3.890 -9.761 4.542 1.00 0.00 C ATOM 0 HA PRO A 83 5.384 -6.866 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.847 -7.225 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.443 -7.138 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.914 -9.411 2.673 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.663 -9.428 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.902 -9.877 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.337 -10.754 4.496 1.00 0.00 H new ATOM 1285 N THR A 84 3.543 -5.446 5.752 1.00 0.00 N ATOM 1286 CA THR A 84 2.612 -4.668 6.494 1.00 0.00 C ATOM 1287 C THR A 84 1.792 -3.822 5.529 1.00 0.00 C ATOM 1288 O THR A 84 2.348 -3.078 4.724 1.00 0.00 O ATOM 1289 CB THR A 84 3.326 -3.758 7.478 1.00 0.00 C ATOM 1290 OG1 THR A 84 4.155 -4.531 8.367 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.347 -2.945 8.288 1.00 0.00 C ATOM 0 H THR A 84 4.248 -4.903 5.254 1.00 0.00 H new ATOM 0 HA THR A 84 1.963 -5.340 7.055 1.00 0.00 H new ATOM 0 HB THR A 84 3.948 -3.075 6.899 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.107 -5.478 8.119 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.892 -2.305 8.982 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.747 -2.327 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.694 -3.614 8.848 1.00 0.00 H new ATOM 1299 N PHE A 85 0.498 -3.938 5.608 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.376 -3.209 4.770 1.00 0.00 C ATOM 1301 C PHE A 85 -1.024 -2.121 5.586 1.00 0.00 C ATOM 1302 O PHE A 85 -1.668 -2.401 6.599 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.444 -4.146 4.213 1.00 0.00 C ATOM 1304 CG PHE A 85 -0.906 -5.301 3.426 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.585 -6.495 4.055 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.717 -5.195 2.064 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.088 -7.557 3.334 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.221 -6.256 1.339 1.00 0.00 C ATOM 1309 CZ PHE A 85 0.095 -7.436 1.975 1.00 0.00 C ATOM 0 H PHE A 85 0.025 -4.554 6.270 1.00 0.00 H new ATOM 0 HA PHE A 85 0.176 -2.769 3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.039 -4.532 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.118 -3.572 3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.726 -6.592 5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.960 -4.271 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.158 -8.483 3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.080 -6.163 0.272 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.487 -8.267 1.407 1.00 0.00 H new ATOM 1319 N MET A 86 -0.851 -0.904 5.181 1.00 0.00 N ATOM 1320 CA MET A 86 -1.431 0.194 5.896 1.00 0.00 C ATOM 1321 C MET A 86 -2.462 0.881 5.046 1.00 0.00 C ATOM 1322 O MET A 86 -2.170 1.353 3.939 1.00 0.00 O ATOM 1323 CB MET A 86 -0.365 1.178 6.370 1.00 0.00 C ATOM 1324 CG MET A 86 -0.921 2.364 7.152 1.00 0.00 C ATOM 1325 SD MET A 86 0.362 3.505 7.714 1.00 0.00 S ATOM 1326 CE MET A 86 1.074 4.037 6.154 1.00 0.00 C ATOM 0 H MET A 86 -0.311 -0.642 4.356 1.00 0.00 H new ATOM 0 HA MET A 86 -1.923 -0.202 6.785 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.353 0.647 6.996 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.182 1.551 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.631 2.904 6.525 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.475 1.995 8.015 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.228 5.116 6.173 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.030 3.537 6.001 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.397 3.782 5.339 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.644 0.928 5.558 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.752 1.499 4.915 1.00 0.00 C ATOM 1338 C PHE A 87 -5.101 2.799 5.579 1.00 0.00 C ATOM 1339 O PHE A 87 -5.446 2.844 6.773 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.908 0.532 5.003 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.721 -0.731 4.204 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -4.957 -1.783 4.694 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.300 -0.859 2.958 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -4.782 -2.932 3.953 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.129 -2.004 2.212 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.368 -3.043 2.709 1.00 0.00 C ATOM 0 H PHE A 87 -3.862 0.549 6.479 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.525 1.697 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.066 0.267 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.813 1.034 4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.495 -1.699 5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.896 -0.050 2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.187 -3.744 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.590 -2.089 1.239 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.232 -3.941 2.125 1.00 0.00 H new ATOM 1356 N LEU A 88 -5.015 3.848 4.848 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.276 5.119 5.390 1.00 0.00 C ATOM 1358 C LEU A 88 -6.173 5.894 4.452 1.00 0.00 C ATOM 1359 O LEU A 88 -6.311 5.532 3.301 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.967 5.895 5.765 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.923 6.214 4.674 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.861 7.141 5.243 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -2.238 4.950 4.161 1.00 0.00 C ATOM 0 H LEU A 88 -4.762 3.845 3.860 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.803 4.991 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.268 6.842 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.461 5.321 6.541 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.448 6.687 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.124 7.366 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.328 8.066 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.368 6.656 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.510 5.216 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.730 4.451 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.984 4.279 3.736 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.751 6.947 4.924 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.707 7.699 4.160 1.00 0.00 C ATOM 1377 C LYS A 89 -7.362 9.135 4.208 1.00 0.00 C ATOM 1378 O LYS A 89 -7.323 9.730 5.268 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.107 7.493 4.733 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.198 8.314 4.068 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.541 8.085 4.734 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.618 8.949 4.107 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.925 8.764 4.763 1.00 0.00 N ATOM 0 H LYS A 89 -6.576 7.319 5.858 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.687 7.354 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.366 6.437 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.088 7.734 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.941 9.372 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.263 8.050 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.818 7.034 4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.465 8.309 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.325 9.997 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.706 8.707 3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.633 9.372 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.217 7.769 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.848 9.019 5.768 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.069 9.672 3.037 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.689 11.065 2.830 1.00 0.00 C ATOM 1399 C GLU A 90 -5.391 11.390 3.591 1.00 0.00 C ATOM 1400 O GLU A 90 -5.080 12.557 3.835 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.763 12.027 3.310 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.148 11.859 2.736 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.089 12.886 3.320 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.010 13.147 4.546 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -10.923 13.444 2.581 1.00 0.00 O ATOM 0 H GLU A 90 -7.089 9.134 2.171 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.549 11.190 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.834 11.940 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.429 13.042 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.114 11.963 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.517 10.856 2.949 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.631 10.367 3.913 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.441 10.538 4.719 1.00 0.00 C ATOM 1414 C GLY A 91 -3.691 10.325 6.221 1.00 0.00 C ATOM 1415 O GLY A 91 -2.768 10.413 7.020 1.00 0.00 O ATOM 0 H GLY A 91 -4.816 9.405 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.678 9.837 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.045 11.541 4.562 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.930 10.029 6.608 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.227 9.711 8.012 1.00 0.00 C ATOM 1421 C LYS A 92 -5.250 8.205 8.154 1.00 0.00 C ATOM 1422 O LYS A 92 -5.919 7.536 7.381 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.602 10.242 8.489 1.00 0.00 C ATOM 1424 CG LYS A 92 -6.849 11.751 8.440 1.00 0.00 C ATOM 1425 CD LYS A 92 -7.059 12.279 7.034 1.00 0.00 C ATOM 1426 CE LYS A 92 -7.467 13.734 7.066 1.00 0.00 C ATOM 1427 NZ LYS A 92 -7.748 14.270 5.719 1.00 0.00 N ATOM 0 H LYS A 92 -5.736 10.001 5.984 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.458 10.190 8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.373 9.759 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.747 9.914 9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.724 11.989 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.001 12.266 8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.141 12.166 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.827 11.692 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.353 13.846 7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.674 14.321 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.823 15.306 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.976 14.008 5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.643 13.874 5.367 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.568 7.676 9.140 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.453 6.226 9.308 1.00 0.00 C ATOM 1443 C ILE A 93 -5.772 5.619 9.794 1.00 0.00 C ATOM 1444 O ILE A 93 -6.328 6.052 10.799 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.302 5.859 10.287 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.972 6.448 9.776 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.188 4.337 10.445 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.782 6.188 10.683 1.00 0.00 C ATOM 0 H ILE A 93 -4.077 8.221 9.848 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.218 5.806 8.330 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.526 6.285 11.265 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.760 6.033 8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.090 7.524 9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.377 4.102 11.134 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.124 3.941 10.838 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.982 3.885 9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.111 6.636 10.248 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.969 6.627 11.663 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.634 5.113 10.790 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.275 4.630 9.068 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.506 3.970 9.434 1.00 0.00 C ATOM 1462 C LEU A 94 -7.258 2.603 10.030 1.00 0.00 C ATOM 1463 O LEU A 94 -7.583 2.346 11.194 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.450 3.843 8.238 1.00 0.00 C ATOM 1465 CG LEU A 94 -9.079 5.128 7.702 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -10.067 4.796 6.597 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.770 5.912 8.813 1.00 0.00 C ATOM 0 H LEU A 94 -5.841 4.270 8.218 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.977 4.596 10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.901 3.371 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.256 3.163 8.515 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.284 5.755 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.512 5.716 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.548 4.284 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.851 4.149 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.207 6.821 8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.556 5.300 9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.041 6.176 9.579 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.668 1.737 9.257 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.465 0.388 9.662 1.00 0.00 C ATOM 1481 C ASP A 95 -5.223 -0.130 9.070 1.00 0.00 C ATOM 1482 O ASP A 95 -4.724 0.399 8.076 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.661 -0.517 9.363 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.075 -0.558 7.925 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -8.872 0.311 7.498 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -7.644 -1.453 7.213 1.00 0.00 O ATOM 0 H ASP A 95 -6.315 1.954 8.325 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.367 0.383 10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.422 -1.530 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.509 -0.184 9.961 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.693 -1.119 9.671 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.424 -1.598 9.289 1.00 0.00 C ATOM 1493 C LYS A 96 -3.324 -3.082 9.593 1.00 0.00 C ATOM 1494 O LYS A 96 -3.556 -3.507 10.723 1.00 0.00 O ATOM 1495 CB LYS A 96 -2.370 -0.736 10.034 1.00 0.00 C ATOM 1496 CG LYS A 96 -0.909 -1.031 9.777 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.397 -2.349 10.408 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.349 -2.353 11.962 1.00 0.00 C ATOM 1499 NZ LYS A 96 -1.678 -2.213 12.641 1.00 0.00 N ATOM 0 H LYS A 96 -5.126 -1.623 10.445 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.249 -1.505 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.551 0.308 9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.549 -0.839 11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.744 -1.071 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.312 -0.204 10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.037 -3.167 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.604 -2.553 10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.114 -3.282 12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.297 -1.540 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.683 -2.777 13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.845 -1.213 12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.429 -2.551 12.006 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.920 -3.835 8.601 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.847 -5.275 8.681 1.00 0.00 C ATOM 1515 C VAL A 97 -1.397 -5.708 8.592 1.00 0.00 C ATOM 1516 O VAL A 97 -0.705 -5.399 7.620 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.637 -5.928 7.499 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.555 -7.451 7.534 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -5.088 -5.477 7.505 1.00 0.00 C ATOM 0 H VAL A 97 -2.627 -3.460 7.699 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.283 -5.595 9.627 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.169 -5.592 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.117 -7.865 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.513 -7.761 7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.977 -7.817 8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.618 -5.944 6.674 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.556 -5.770 8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.133 -4.393 7.400 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.932 -6.386 9.606 1.00 0.00 N ATOM 1530 CA VAL A 98 0.417 -6.879 9.616 1.00 0.00 C ATOM 1531 C VAL A 98 0.433 -8.364 9.222 1.00 0.00 C ATOM 1532 O VAL A 98 -0.406 -9.159 9.688 1.00 0.00 O ATOM 1533 CB VAL A 98 1.114 -6.657 10.997 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.464 -7.462 12.120 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.590 -6.951 10.908 1.00 0.00 C ATOM 0 H VAL A 98 -1.473 -6.610 10.441 1.00 0.00 H new ATOM 0 HA VAL A 98 0.988 -6.310 8.882 1.00 0.00 H new ATOM 0 HB VAL A 98 0.983 -5.605 11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.988 -7.270 13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.580 -7.167 12.222 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.520 -8.525 11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.053 -6.789 11.882 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.737 -7.987 10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.049 -6.289 10.174 1.00 0.00 H new ATOM 1545 N GLY A 99 1.338 -8.717 8.343 1.00 0.00 N ATOM 1546 CA GLY A 99 1.459 -10.072 7.890 1.00 0.00 C ATOM 1547 C GLY A 99 0.620 -10.295 6.663 1.00 0.00 C ATOM 1548 O GLY A 99 -0.456 -9.695 6.527 1.00 0.00 O ATOM 0 H GLY A 99 2.008 -8.071 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.503 -10.296 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.147 -10.755 8.680 1.00 0.00 H new ATOM 1552 N ALA A 100 1.084 -11.131 5.757 1.00 0.00 N ATOM 1553 CA ALA A 100 0.313 -11.388 4.572 1.00 0.00 C ATOM 1554 C ALA A 100 -0.800 -12.328 4.927 1.00 0.00 C ATOM 1555 O ALA A 100 -0.570 -13.508 5.202 1.00 0.00 O ATOM 1556 CB ALA A 100 1.182 -11.976 3.470 1.00 0.00 C ATOM 0 H ALA A 100 1.971 -11.631 5.820 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.097 -10.452 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.572 -12.160 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.979 -11.275 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.618 -12.915 3.812 1.00 0.00 H new ATOM 1562 N LYS A 101 -1.984 -11.805 4.945 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.142 -12.545 5.273 1.00 0.00 C ATOM 1564 C LYS A 101 -4.124 -12.401 4.151 1.00 0.00 C ATOM 1565 O LYS A 101 -4.669 -11.329 3.959 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.715 -11.986 6.562 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.753 -12.123 7.727 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.251 -11.494 8.970 1.00 0.00 C ATOM 1569 CE LYS A 101 -4.526 -12.136 9.481 1.00 0.00 C ATOM 1570 NZ LYS A 101 -5.018 -11.478 10.713 1.00 0.00 N ATOM 0 H LYS A 101 -2.168 -10.826 4.725 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.914 -13.601 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.963 -10.934 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.645 -12.504 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.565 -13.181 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.798 -11.672 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.482 -11.561 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.430 -10.434 8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.294 -12.083 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.346 -13.192 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.013 -11.737 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.446 -11.789 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.941 -10.446 10.610 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.355 -13.458 3.415 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.194 -13.388 2.259 1.00 0.00 C ATOM 1586 C LYS A 102 -6.656 -13.165 2.635 1.00 0.00 C ATOM 1587 O LYS A 102 -7.377 -12.445 1.945 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.015 -14.632 1.394 1.00 0.00 C ATOM 1589 CG LYS A 102 -5.728 -14.539 0.060 1.00 0.00 C ATOM 1590 CD LYS A 102 -5.450 -15.725 -0.894 1.00 0.00 C ATOM 1591 CE LYS A 102 -6.097 -17.063 -0.474 1.00 0.00 C ATOM 1592 NZ LYS A 102 -5.561 -17.631 0.788 1.00 0.00 N ATOM 0 H LYS A 102 -3.967 -14.383 3.603 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.888 -12.523 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.952 -14.795 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.386 -15.501 1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.801 -14.475 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.431 -13.614 -0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.807 -15.463 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.372 -15.867 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.171 -16.915 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.955 -17.789 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.514 -18.667 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.608 -17.253 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.185 -17.372 1.578 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.080 -13.755 3.733 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.468 -13.610 4.179 1.00 0.00 C ATOM 1608 C ASP A 103 -8.730 -12.221 4.725 1.00 0.00 C ATOM 1609 O ASP A 103 -9.672 -11.549 4.308 1.00 0.00 O ATOM 1610 CB ASP A 103 -8.828 -14.664 5.240 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.234 -14.482 5.798 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.216 -14.943 5.159 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.386 -13.874 6.877 1.00 0.00 O ATOM 0 H ASP A 103 -6.497 -14.336 4.335 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.101 -13.765 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.742 -15.658 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.108 -14.612 6.057 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.868 -11.770 5.612 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.055 -10.481 6.244 1.00 0.00 C ATOM 1620 C GLU A 104 -7.820 -9.327 5.288 1.00 0.00 C ATOM 1621 O GLU A 104 -8.500 -8.308 5.372 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.229 -10.352 7.533 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.344 -9.000 8.217 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.741 -8.989 9.592 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -5.498 -8.989 9.726 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -7.503 -9.017 10.575 1.00 0.00 O ATOM 0 H GLU A 104 -7.034 -12.275 5.911 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.104 -10.423 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.544 -11.127 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.181 -10.540 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.852 -8.245 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.395 -8.721 8.284 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.892 -9.493 4.361 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.600 -8.445 3.386 1.00 0.00 C ATOM 1635 C LEU A 105 -7.838 -8.134 2.584 1.00 0.00 C ATOM 1636 O LEU A 105 -8.251 -6.990 2.477 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.509 -8.889 2.441 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.015 -7.841 1.445 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.440 -6.630 2.169 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -3.981 -8.440 0.515 1.00 0.00 C ATOM 0 H LEU A 105 -6.328 -10.337 4.259 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.271 -7.558 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.659 -9.227 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.870 -9.751 1.881 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.867 -7.509 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.095 -5.899 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.211 -6.181 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.602 -6.943 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.640 -7.680 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.134 -8.802 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.424 -9.270 -0.035 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.434 -9.175 2.051 1.00 0.00 N ATOM 1653 CA GLN A 106 -9.653 -9.049 1.249 1.00 0.00 C ATOM 1654 C GLN A 106 -10.799 -8.461 2.061 1.00 0.00 C ATOM 1655 O GLN A 106 -11.585 -7.656 1.550 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.053 -10.382 0.646 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.024 -10.936 -0.307 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.423 -12.265 -0.889 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.065 -12.333 -1.937 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -9.051 -13.325 -0.226 1.00 0.00 N ATOM 0 H GLN A 106 -8.099 -10.133 2.154 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.434 -8.359 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.220 -11.101 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.001 -10.266 0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.864 -10.223 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.073 -11.044 0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.520 -13.225 0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.291 -14.254 -0.573 1.00 0.00 H new ATOM 1669 N SER A 107 -10.872 -8.823 3.327 1.00 0.00 N ATOM 1670 CA SER A 107 -11.909 -8.284 4.191 1.00 0.00 C ATOM 1671 C SER A 107 -11.646 -6.805 4.455 1.00 0.00 C ATOM 1672 O SER A 107 -12.567 -6.014 4.620 1.00 0.00 O ATOM 1673 CB SER A 107 -11.974 -9.060 5.495 1.00 0.00 C ATOM 1674 OG SER A 107 -12.203 -10.433 5.247 1.00 0.00 O ATOM 0 H SER A 107 -10.235 -9.480 3.778 1.00 0.00 H new ATOM 0 HA SER A 107 -12.873 -8.384 3.691 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.042 -8.935 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.771 -8.661 6.123 1.00 0.00 H new ATOM 0 HG SER A 107 -11.376 -10.850 4.927 1.00 0.00 H new ATOM 1680 N THR A 108 -10.385 -6.447 4.465 1.00 0.00 N ATOM 1681 CA THR A 108 -9.974 -5.086 4.636 1.00 0.00 C ATOM 1682 C THR A 108 -10.307 -4.277 3.377 1.00 0.00 C ATOM 1683 O THR A 108 -10.691 -3.107 3.454 1.00 0.00 O ATOM 1684 CB THR A 108 -8.470 -5.018 4.932 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.194 -5.747 6.142 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.021 -3.590 5.093 1.00 0.00 C ATOM 0 H THR A 108 -9.612 -7.103 4.353 1.00 0.00 H new ATOM 0 HA THR A 108 -10.512 -4.658 5.482 1.00 0.00 H new ATOM 0 HB THR A 108 -7.927 -5.459 4.096 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.107 -6.701 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.952 -3.566 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.223 -3.039 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.563 -3.129 5.919 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.182 -4.911 2.230 1.00 0.00 N ATOM 1695 CA ILE A 109 -10.518 -4.270 0.981 1.00 0.00 C ATOM 1696 C ILE A 109 -12.004 -3.948 0.957 1.00 0.00 C ATOM 1697 O ILE A 109 -12.383 -2.797 0.780 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.124 -5.135 -0.248 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -8.612 -5.416 -0.243 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -10.536 -4.452 -1.551 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -7.741 -4.169 -0.295 1.00 0.00 C ATOM 0 H ILE A 109 -9.849 -5.871 2.139 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.943 -3.346 0.913 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.656 -6.084 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.363 -5.981 0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.370 -6.050 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.249 -5.078 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.616 -4.304 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.037 -3.486 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.690 -4.459 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.958 -3.612 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.951 -3.542 0.572 1.00 0.00 H new ATOM 1713 N ALA A 110 -12.837 -4.959 1.212 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.294 -4.778 1.227 1.00 0.00 C ATOM 1715 C ALA A 110 -14.715 -3.791 2.311 1.00 0.00 C ATOM 1716 O ALA A 110 -15.706 -3.081 2.163 1.00 0.00 O ATOM 1717 CB ALA A 110 -14.996 -6.102 1.398 1.00 0.00 C ATOM 0 H ALA A 110 -12.530 -5.911 1.411 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.591 -4.360 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.074 -5.944 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.733 -6.763 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.689 -6.558 2.339 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.945 -3.760 3.381 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.146 -2.840 4.493 1.00 0.00 C ATOM 1725 C LYS A 111 -14.104 -1.407 3.980 1.00 0.00 C ATOM 1726 O LYS A 111 -14.937 -0.586 4.329 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.004 -3.035 5.448 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.058 -2.257 6.742 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.797 -2.520 7.553 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.798 -1.767 8.868 1.00 0.00 C ATOM 1731 NZ LYS A 111 -12.902 -2.186 9.755 1.00 0.00 N ATOM 0 H LYS A 111 -13.147 -4.383 3.508 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.106 -3.027 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.942 -4.096 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.081 -2.772 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.152 -1.191 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.938 -2.548 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.708 -3.589 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.924 -2.229 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.847 -1.927 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.879 -0.698 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.774 -1.759 10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.808 -1.873 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.902 -3.222 9.843 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.137 -1.139 3.131 1.00 0.00 N ATOM 1746 CA HIS A 112 -12.945 0.170 2.559 1.00 0.00 C ATOM 1747 C HIS A 112 -13.901 0.484 1.410 1.00 0.00 C ATOM 1748 O HIS A 112 -14.077 1.659 1.062 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.505 0.387 2.133 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.548 0.621 3.260 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.117 1.871 3.621 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.925 -0.234 4.097 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.281 1.774 4.620 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.147 0.511 4.929 1.00 0.00 N ATOM 0 H HIS A 112 -12.457 -1.831 2.817 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.183 0.872 3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.173 -0.483 1.567 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.465 1.241 1.457 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.025 -1.309 4.105 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.784 2.599 5.109 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.555 0.143 5.674 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.502 -0.539 0.806 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.464 -0.331 -0.223 1.00 0.00 C ATOM 1765 C LEU A 113 -16.718 0.309 0.340 1.00 0.00 C ATOM 1766 O LEU A 113 -17.426 -0.297 1.139 1.00 0.00 O ATOM 1767 CB LEU A 113 -15.789 -1.650 -0.911 1.00 0.00 C ATOM 1768 CG LEU A 113 -15.016 -2.006 -2.199 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -15.287 -0.991 -3.292 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -13.528 -2.121 -1.953 1.00 0.00 C ATOM 0 H LEU A 113 -14.324 -1.519 1.028 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.043 0.349 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -15.625 -2.451 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.853 -1.649 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.376 -2.982 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -14.731 -1.265 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -16.353 -0.975 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.972 -0.003 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -13.023 -2.373 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -13.147 -1.171 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.340 -2.902 -1.217 1.00 0.00 H new