USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 688 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 92 HIS : no HD1:sc= -4.69! K(o=-9.7!,f=-8.4) USER MOD Set 1.2: A 94 MET CE :methyl -114:sc= -4.74! (180deg=-11.5!) USER MOD Set 1.3: A 99 GLN : amide:sc= -0.238 K(o=-9.7,f=-8.6) USER MOD Set 2.1: A 70 MET CE :methyl -173:sc= -1.34 (180deg=-1.43!) USER MOD Set 2.2: A 72 GLN : amide:sc= -1.23 K(o=-2.6,f=-3.5) USER MOD Set 3.1: A 65 SER OG : rot 57:sc= 1.07 USER MOD Set 3.2: A 66 GLN : amide:sc= -1.02 X(o=0.054,f=0.17) USER MOD Single : A 14 HIS : no HD1:sc= -21.2! C(o=-20!,f=-30!) USER MOD Single : A 18 HIS : no HD1:sc= -3.82! K(o=-3.8!,f=-1.4) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 6:sc= -0.971! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 68:sc= 0.61 USER MOD Single : A 47 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.4) USER MOD Single : A 48 GLN : amide:sc= -9.55! C(o=-9.6!,f=-11!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 102:sc= 0.337 USER MOD Single : A 79 TYR OH : rot -150:sc= -2.89! USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0889 X(o=-0.089,f=-0.47) USER MOD Single : A 83 ASN : amide:sc= -0.197 K(o=-0.2,f=0.81) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.7!) USER MOD Single : A 90 GLN : amide:sc= -0.0286 K(o=-0.029,f=-0.91) USER MOD Single : A 91 HIS : no HD1:sc= -22.1! C(o=-22!,f=-18!) USER MOD Single : A 104 LYS NZ :NH3+ -125:sc= -0.471 (180deg=-1.78) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.799 3.964 -7.581 1.00 0.00 N ATOM 106 CA ALA A 10 -5.442 4.146 -7.096 1.00 0.00 C ATOM 107 C ALA A 10 -4.543 3.061 -7.692 1.00 0.00 C ATOM 108 O ALA A 10 -4.931 1.896 -7.758 1.00 0.00 O ATOM 109 CB ALA A 10 -5.439 4.132 -5.566 1.00 0.00 C ATOM 0 HA ALA A 10 -5.048 5.112 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.420 4.269 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.068 4.940 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.826 3.177 -5.210 1.00 0.00 H new ATOM 115 N PRO A 11 -3.326 3.494 -8.121 1.00 0.00 N ATOM 116 CA PRO A 11 -2.368 2.572 -8.708 1.00 0.00 C ATOM 117 C PRO A 11 -1.717 1.700 -7.632 1.00 0.00 C ATOM 118 O PRO A 11 -1.947 1.902 -6.441 1.00 0.00 O ATOM 119 CB PRO A 11 -1.371 3.455 -9.440 1.00 0.00 C ATOM 120 CG PRO A 11 -1.538 4.847 -8.853 1.00 0.00 C ATOM 121 CD PRO A 11 -2.833 4.867 -8.058 1.00 0.00 C ATOM 0 HA PRO A 11 -2.832 1.863 -9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.353 3.092 -9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.565 3.457 -10.513 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.692 5.094 -8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.566 5.595 -9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.661 5.179 -7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.551 5.566 -8.487 1.00 0.00 H new ATOM 129 N PRO A 12 -0.898 0.722 -8.104 1.00 0.00 N ATOM 130 CA PRO A 12 -0.212 -0.182 -7.197 1.00 0.00 C ATOM 131 C PRO A 12 0.962 0.518 -6.508 1.00 0.00 C ATOM 132 O PRO A 12 2.078 0.517 -7.023 1.00 0.00 O ATOM 133 CB PRO A 12 0.221 -1.354 -8.062 1.00 0.00 C ATOM 134 CG PRO A 12 0.174 -0.853 -9.497 1.00 0.00 C ATOM 135 CD PRO A 12 -0.602 0.453 -9.509 1.00 0.00 C ATOM 0 HA PRO A 12 -0.849 -0.521 -6.380 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.225 -1.685 -7.797 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.443 -2.207 -7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.183 -0.701 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.306 -1.588 -10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.015 1.258 -9.951 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.516 0.365 -10.096 1.00 0.00 H new ATOM 143 N ASP A 13 0.668 1.100 -5.354 1.00 0.00 N ATOM 144 CA ASP A 13 1.684 1.802 -4.589 1.00 0.00 C ATOM 145 C ASP A 13 2.990 1.006 -4.636 1.00 0.00 C ATOM 146 O ASP A 13 4.075 1.583 -4.559 1.00 0.00 O ATOM 147 CB ASP A 13 1.270 1.944 -3.123 1.00 0.00 C ATOM 148 CG ASP A 13 2.355 2.492 -2.195 1.00 0.00 C ATOM 149 OD1 ASP A 13 3.238 3.251 -2.622 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.270 2.102 -0.968 1.00 0.00 O ATOM 0 H ASP A 13 -0.260 1.099 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 13 1.811 2.793 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.401 2.600 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.956 0.968 -2.754 1.00 0.00 H new ATOM 156 N HIS A 14 2.844 -0.304 -4.761 1.00 0.00 N ATOM 157 CA HIS A 14 3.999 -1.184 -4.817 1.00 0.00 C ATOM 158 C HIS A 14 3.658 -2.427 -5.641 1.00 0.00 C ATOM 159 O HIS A 14 2.508 -2.862 -5.668 1.00 0.00 O ATOM 160 CB HIS A 14 4.492 -1.524 -3.410 1.00 0.00 C ATOM 161 CG HIS A 14 3.861 -2.763 -2.820 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.298 -2.787 -1.556 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.711 -4.016 -3.334 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.833 -4.008 -1.330 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.090 -4.768 -2.434 1.00 0.00 N ATOM 0 H HIS A 14 1.943 -0.778 -4.825 1.00 0.00 H new ATOM 0 HA HIS A 14 4.824 -0.675 -5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.573 -1.658 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.292 -0.678 -2.752 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.042 -4.342 -4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.338 -4.342 -0.430 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.845 -5.752 -2.548 1.00 0.00 H new ATOM 173 N LEU A 15 4.678 -2.963 -6.295 1.00 0.00 N ATOM 174 CA LEU A 15 4.501 -4.147 -7.118 1.00 0.00 C ATOM 175 C LEU A 15 5.555 -5.190 -6.736 1.00 0.00 C ATOM 176 O LEU A 15 6.676 -4.840 -6.373 1.00 0.00 O ATOM 177 CB LEU A 15 4.513 -3.776 -8.601 1.00 0.00 C ATOM 178 CG LEU A 15 3.277 -3.035 -9.118 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.548 -2.405 -10.485 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.057 -3.956 -9.142 1.00 0.00 C ATOM 0 H LEU A 15 5.630 -2.599 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 15 3.525 -4.596 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.390 -3.157 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.634 -4.690 -9.183 1.00 0.00 H new ATOM 0 HG LEU A 15 3.052 -2.221 -8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.654 -1.885 -10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.371 -1.696 -10.402 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.812 -3.185 -11.199 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.193 -3.405 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.255 -4.805 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.853 -4.315 -8.133 1.00 0.00 H new ATOM 192 N TRP A 16 5.155 -6.450 -6.832 1.00 0.00 N ATOM 193 CA TRP A 16 6.050 -7.545 -6.501 1.00 0.00 C ATOM 194 C TRP A 16 5.989 -8.566 -7.639 1.00 0.00 C ATOM 195 O TRP A 16 4.970 -9.227 -7.829 1.00 0.00 O ATOM 196 CB TRP A 16 5.700 -8.146 -5.138 1.00 0.00 C ATOM 197 CG TRP A 16 6.021 -7.233 -3.954 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.110 -6.475 -3.768 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.195 -7.009 -2.791 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.048 -5.783 -2.575 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.846 -6.118 -1.963 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.941 -7.544 -2.451 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.320 -5.683 -0.741 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.427 -7.098 -1.227 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.070 -6.202 -0.382 1.00 0.00 C ATOM 0 H TRP A 16 4.224 -6.736 -7.134 1.00 0.00 H new ATOM 0 HA TRP A 16 7.076 -7.190 -6.407 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.637 -8.386 -5.121 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.241 -9.085 -5.017 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.933 -6.413 -4.464 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.754 -5.144 -2.210 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.415 -8.244 -3.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.849 -4.985 -0.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.464 -7.477 -0.918 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.607 -5.907 0.548 1.00 0.00 H new ATOM 216 N VAL A 17 7.093 -8.663 -8.365 1.00 0.00 N ATOM 217 CA VAL A 17 7.178 -9.593 -9.478 1.00 0.00 C ATOM 218 C VAL A 17 7.255 -11.022 -8.937 1.00 0.00 C ATOM 219 O VAL A 17 8.195 -11.371 -8.225 1.00 0.00 O ATOM 220 CB VAL A 17 8.362 -9.229 -10.374 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.690 -9.450 -9.646 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.319 -10.016 -11.686 1.00 0.00 C ATOM 0 H VAL A 17 7.936 -8.113 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 17 6.285 -9.528 -10.100 1.00 0.00 H new ATOM 0 HB VAL A 17 8.285 -8.169 -10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.515 -9.183 -10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.724 -8.826 -8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.778 -10.498 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.172 -9.738 -12.305 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.359 -11.084 -11.471 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.395 -9.787 -12.218 1.00 0.00 H new ATOM 232 N HIS A 18 6.253 -11.811 -9.296 1.00 0.00 N ATOM 233 CA HIS A 18 6.196 -13.195 -8.858 1.00 0.00 C ATOM 234 C HIS A 18 6.322 -14.123 -10.068 1.00 0.00 C ATOM 235 O HIS A 18 6.893 -15.207 -9.967 1.00 0.00 O ATOM 236 CB HIS A 18 4.928 -13.455 -8.041 1.00 0.00 C ATOM 237 CG HIS A 18 4.644 -14.918 -7.797 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.338 -15.424 -6.546 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.620 -15.976 -8.657 1.00 0.00 C ATOM 240 CE1 HIS A 18 4.142 -16.729 -6.659 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.318 -17.070 -7.969 1.00 0.00 N ATOM 0 H HIS A 18 5.474 -11.518 -9.885 1.00 0.00 H new ATOM 0 HA HIS A 18 7.035 -13.404 -8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.017 -12.947 -7.080 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.077 -13.012 -8.559 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.814 -15.931 -9.718 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.888 -17.405 -5.856 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.232 -18.010 -8.355 1.00 0.00 H new ATOM 249 N GLN A 19 5.777 -13.662 -11.185 1.00 0.00 N ATOM 250 CA GLN A 19 5.821 -14.436 -12.413 1.00 0.00 C ATOM 251 C GLN A 19 6.425 -13.601 -13.546 1.00 0.00 C ATOM 252 O GLN A 19 6.470 -12.376 -13.462 1.00 0.00 O ATOM 253 CB GLN A 19 4.430 -14.946 -12.790 1.00 0.00 C ATOM 254 CG GLN A 19 4.166 -16.325 -12.177 1.00 0.00 C ATOM 255 CD GLN A 19 3.494 -17.255 -13.189 1.00 0.00 C ATOM 256 OE1 GLN A 19 4.064 -18.231 -13.649 1.00 0.00 O ATOM 257 NE2 GLN A 19 2.253 -16.899 -13.510 1.00 0.00 N ATOM 0 H GLN A 19 5.303 -12.762 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 19 6.458 -15.305 -12.249 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.674 -14.240 -12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.341 -15.003 -13.875 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.106 -16.764 -11.842 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.532 -16.220 -11.297 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.835 -16.070 -13.088 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.720 -17.455 -14.178 1.00 0.00 H new ATOM 266 N GLU A 20 6.871 -14.300 -14.579 1.00 0.00 N ATOM 267 CA GLU A 20 7.469 -13.639 -15.726 1.00 0.00 C ATOM 268 C GLU A 20 6.514 -12.585 -16.288 1.00 0.00 C ATOM 269 O GLU A 20 5.452 -12.918 -16.811 1.00 0.00 O ATOM 270 CB GLU A 20 7.859 -14.655 -16.803 1.00 0.00 C ATOM 271 CG GLU A 20 7.722 -14.050 -18.202 1.00 0.00 C ATOM 272 CD GLU A 20 8.445 -14.908 -19.242 1.00 0.00 C ATOM 273 OE1 GLU A 20 9.626 -14.666 -19.534 1.00 0.00 O ATOM 274 OE2 GLU A 20 7.736 -15.857 -19.754 1.00 0.00 O ATOM 0 H GLU A 20 6.830 -15.317 -14.646 1.00 0.00 H new ATOM 0 HA GLU A 20 8.380 -13.138 -15.398 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.886 -14.983 -16.644 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.226 -15.538 -16.721 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.667 -13.966 -18.464 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.134 -13.041 -18.208 1.00 0.00 H new ATOM 282 N GLY A 21 6.927 -11.332 -16.162 1.00 0.00 N ATOM 283 CA GLY A 21 6.120 -10.225 -16.649 1.00 0.00 C ATOM 284 C GLY A 21 4.859 -10.051 -15.799 1.00 0.00 C ATOM 285 O GLY A 21 3.864 -9.498 -16.265 1.00 0.00 O ATOM 0 H GLY A 21 7.810 -11.059 -15.730 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.706 -9.306 -16.629 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.841 -10.403 -17.688 1.00 0.00 H new ATOM 289 N ILE A 22 4.943 -10.533 -14.568 1.00 0.00 N ATOM 290 CA ILE A 22 3.820 -10.437 -13.649 1.00 0.00 C ATOM 291 C ILE A 22 4.260 -9.689 -12.389 1.00 0.00 C ATOM 292 O ILE A 22 5.449 -9.634 -12.078 1.00 0.00 O ATOM 293 CB ILE A 22 3.239 -11.824 -13.369 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.230 -12.225 -14.447 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.634 -11.892 -11.965 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.940 -12.795 -15.677 1.00 0.00 C ATOM 0 H ILE A 22 5.770 -10.991 -14.185 1.00 0.00 H new ATOM 0 HA ILE A 22 3.010 -9.860 -14.095 1.00 0.00 H new ATOM 0 HB ILE A 22 4.053 -12.548 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.539 -12.966 -14.046 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.636 -11.358 -14.735 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.228 -12.889 -11.792 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.406 -11.681 -11.225 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.836 -11.155 -11.877 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.200 -13.072 -16.428 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.612 -12.043 -16.090 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.514 -13.676 -15.390 1.00 0.00 H new ATOM 308 N TYR A 23 3.277 -9.129 -11.699 1.00 0.00 N ATOM 309 CA TYR A 23 3.547 -8.386 -10.480 1.00 0.00 C ATOM 310 C TYR A 23 2.356 -8.453 -9.522 1.00 0.00 C ATOM 311 O TYR A 23 1.209 -8.548 -9.956 1.00 0.00 O ATOM 312 CB TYR A 23 3.759 -6.933 -10.911 1.00 0.00 C ATOM 313 CG TYR A 23 5.213 -6.589 -11.242 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.102 -6.299 -10.227 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.634 -6.567 -12.556 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.470 -5.975 -10.538 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.002 -6.242 -12.867 1.00 0.00 C ATOM 318 CZ TYR A 23 7.852 -5.962 -11.843 1.00 0.00 C ATOM 319 OH TYR A 23 9.144 -5.656 -12.138 1.00 0.00 O ATOM 0 H TYR A 23 2.292 -9.175 -11.961 1.00 0.00 H new ATOM 0 HA TYR A 23 4.412 -8.799 -9.962 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.140 -6.730 -11.785 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.412 -6.274 -10.115 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.771 -6.315 -9.199 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.938 -6.793 -13.350 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.176 -5.748 -9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.345 -6.221 -13.891 1.00 0.00 H new ATOM 0 HH TYR A 23 9.658 -5.573 -11.308 1.00 0.00 H new ATOM 329 N ARG A 24 2.670 -8.399 -8.236 1.00 0.00 N ATOM 330 CA ARG A 24 1.639 -8.452 -7.212 1.00 0.00 C ATOM 331 C ARG A 24 1.433 -7.067 -6.595 1.00 0.00 C ATOM 332 O ARG A 24 2.396 -6.404 -6.214 1.00 0.00 O ATOM 333 CB ARG A 24 2.010 -9.444 -6.107 1.00 0.00 C ATOM 334 CG ARG A 24 0.808 -10.307 -5.720 1.00 0.00 C ATOM 335 CD ARG A 24 1.246 -11.730 -5.367 1.00 0.00 C ATOM 336 NE ARG A 24 2.055 -11.718 -4.127 1.00 0.00 N ATOM 337 CZ ARG A 24 1.540 -11.588 -2.887 1.00 0.00 C ATOM 338 NH1 ARG A 24 0.207 -11.459 -2.710 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.357 -11.590 -1.850 1.00 0.00 N ATOM 0 H ARG A 24 3.622 -8.319 -7.879 1.00 0.00 H new ATOM 0 HA ARG A 24 0.716 -8.784 -7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.827 -10.082 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.370 -8.902 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.293 -9.860 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.096 -10.336 -6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.371 -12.366 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.827 -12.154 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 24 3.067 -11.814 -4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.417 -11.460 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.175 -11.361 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.362 -11.689 -1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.983 -11.493 -0.906 1.00 0.00 H new ATOM 352 N ASP A 25 0.170 -6.671 -6.518 1.00 0.00 N ATOM 353 CA ASP A 25 -0.175 -5.377 -5.954 1.00 0.00 C ATOM 354 C ASP A 25 -0.195 -5.480 -4.428 1.00 0.00 C ATOM 355 O ASP A 25 0.058 -6.546 -3.870 1.00 0.00 O ATOM 356 CB ASP A 25 -1.562 -4.928 -6.417 1.00 0.00 C ATOM 357 CG ASP A 25 -1.795 -3.416 -6.388 1.00 0.00 C ATOM 358 OD1 ASP A 25 -2.688 -2.894 -7.072 1.00 0.00 O ATOM 359 OD2 ASP A 25 -1.003 -2.756 -5.612 1.00 0.00 O ATOM 0 H ASP A 25 -0.626 -7.223 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 25 0.568 -4.653 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.723 -5.286 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.312 -5.408 -5.788 1.00 0.00 H new ATOM 365 N GLU A 26 -0.497 -4.355 -3.796 1.00 0.00 N ATOM 366 CA GLU A 26 -0.553 -4.304 -2.345 1.00 0.00 C ATOM 367 C GLU A 26 -1.986 -4.533 -1.860 1.00 0.00 C ATOM 368 O GLU A 26 -2.314 -4.231 -0.714 1.00 0.00 O ATOM 369 CB GLU A 26 -0.003 -2.977 -1.821 1.00 0.00 C ATOM 370 CG GLU A 26 -0.025 -2.939 -0.291 1.00 0.00 C ATOM 371 CD GLU A 26 1.155 -2.133 0.255 1.00 0.00 C ATOM 372 OE1 GLU A 26 1.604 -1.174 -0.391 1.00 0.00 O ATOM 373 OE2 GLU A 26 1.607 -2.533 1.395 1.00 0.00 O ATOM 0 H GLU A 26 -0.705 -3.472 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 26 0.076 -5.102 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.018 -2.836 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.595 -2.152 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.961 -2.498 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.011 -3.955 0.102 1.00 0.00 H new ATOM 381 N TYR A 27 -2.802 -5.066 -2.758 1.00 0.00 N ATOM 382 CA TYR A 27 -4.193 -5.338 -2.437 1.00 0.00 C ATOM 383 C TYR A 27 -4.650 -6.660 -3.058 1.00 0.00 C ATOM 384 O TYR A 27 -5.830 -6.833 -3.361 1.00 0.00 O ATOM 385 CB TYR A 27 -5.000 -4.194 -3.052 1.00 0.00 C ATOM 386 CG TYR A 27 -5.119 -2.962 -2.153 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.716 -3.068 -0.913 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.628 -1.745 -2.580 1.00 0.00 C ATOM 389 CE1 TYR A 27 -5.827 -1.909 -0.066 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.739 -0.586 -1.733 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.334 -0.725 -0.519 1.00 0.00 C ATOM 392 OH TYR A 27 -5.440 0.370 0.281 1.00 0.00 O ATOM 0 H TYR A 27 -2.526 -5.317 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.330 -5.413 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.535 -3.900 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.000 -4.556 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.100 -4.020 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.160 -1.662 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.291 -1.978 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.358 0.372 -2.055 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.045 1.145 -0.171 1.00 0.00 H new ATOM 402 N GLN A 28 -3.692 -7.559 -3.229 1.00 0.00 N ATOM 403 CA GLN A 28 -3.982 -8.861 -3.808 1.00 0.00 C ATOM 404 C GLN A 28 -4.421 -8.706 -5.266 1.00 0.00 C ATOM 405 O GLN A 28 -5.425 -9.284 -5.679 1.00 0.00 O ATOM 406 CB GLN A 28 -5.044 -9.600 -2.990 1.00 0.00 C ATOM 407 CG GLN A 28 -4.458 -10.124 -1.678 1.00 0.00 C ATOM 408 CD GLN A 28 -4.666 -9.119 -0.545 1.00 0.00 C ATOM 409 OE1 GLN A 28 -3.759 -8.419 -0.126 1.00 0.00 O ATOM 410 NE2 GLN A 28 -5.909 -9.085 -0.072 1.00 0.00 N ATOM 0 H GLN A 28 -2.715 -7.412 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.072 -9.460 -3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.877 -8.930 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.443 -10.431 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.928 -11.072 -1.419 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.393 -10.320 -1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.622 -9.698 -0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.149 -8.446 0.686 1.00 0.00 H new ATOM 419 N ARG A 29 -3.646 -7.925 -6.004 1.00 0.00 N ATOM 420 CA ARG A 29 -3.942 -7.689 -7.406 1.00 0.00 C ATOM 421 C ARG A 29 -2.717 -8.003 -8.267 1.00 0.00 C ATOM 422 O ARG A 29 -1.677 -7.362 -8.131 1.00 0.00 O ATOM 423 CB ARG A 29 -4.364 -6.237 -7.643 1.00 0.00 C ATOM 424 CG ARG A 29 -5.888 -6.096 -7.604 1.00 0.00 C ATOM 425 CD ARG A 29 -6.431 -5.642 -8.961 1.00 0.00 C ATOM 426 NE ARG A 29 -7.662 -4.842 -8.771 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.633 -4.717 -9.701 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.526 -5.340 -10.892 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.690 -3.977 -9.424 1.00 0.00 N ATOM 0 H ARG A 29 -2.814 -7.448 -5.657 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.766 -8.346 -7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.916 -5.596 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.988 -5.898 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.338 -7.050 -7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.171 -5.376 -6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.679 -5.050 -9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.644 -6.510 -9.586 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.784 -4.355 -7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.706 -5.912 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.265 -5.240 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.763 -3.511 -8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.433 -3.871 -10.114 1.00 0.00 H new ATOM 442 N THR A 30 -2.882 -8.989 -9.137 1.00 0.00 N ATOM 443 CA THR A 30 -1.802 -9.397 -10.019 1.00 0.00 C ATOM 444 C THR A 30 -1.706 -8.450 -11.217 1.00 0.00 C ATOM 445 O THR A 30 -2.720 -8.110 -11.827 1.00 0.00 O ATOM 446 CB THR A 30 -2.040 -10.856 -10.415 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.456 -10.957 -10.531 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.688 -11.832 -9.291 1.00 0.00 C ATOM 0 H THR A 30 -3.747 -9.517 -9.250 1.00 0.00 H new ATOM 0 HA THR A 30 -0.836 -9.335 -9.517 1.00 0.00 H new ATOM 0 HB THR A 30 -1.450 -11.093 -11.300 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.760 -10.424 -11.295 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.875 -12.853 -9.624 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.635 -11.722 -9.030 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.302 -11.617 -8.417 1.00 0.00 H new ATOM 456 N TRP A 31 -0.479 -8.051 -11.519 1.00 0.00 N ATOM 457 CA TRP A 31 -0.238 -7.150 -12.633 1.00 0.00 C ATOM 458 C TRP A 31 0.620 -7.889 -13.661 1.00 0.00 C ATOM 459 O TRP A 31 1.411 -8.761 -13.305 1.00 0.00 O ATOM 460 CB TRP A 31 0.397 -5.843 -12.153 1.00 0.00 C ATOM 461 CG TRP A 31 -0.557 -4.938 -11.371 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.002 -5.095 -10.117 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.170 -3.721 -11.847 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.853 -4.072 -9.751 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.959 -3.209 -10.837 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.062 -3.074 -13.091 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.699 -2.029 -10.965 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.809 -1.895 -13.203 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.607 -1.367 -12.195 1.00 0.00 C ATOM 0 H TRP A 31 0.359 -8.335 -11.011 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.177 -6.861 -13.106 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.256 -6.078 -11.524 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.774 -5.296 -13.017 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.729 -5.918 -9.474 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.319 -3.968 -8.850 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.452 -3.456 -13.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.308 -1.649 -10.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.762 -1.358 -14.139 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.154 -0.450 -12.360 1.00 0.00 H new ATOM 480 N VAL A 32 0.434 -7.514 -14.919 1.00 0.00 N ATOM 481 CA VAL A 32 1.180 -8.130 -16.002 1.00 0.00 C ATOM 482 C VAL A 32 2.055 -7.073 -16.679 1.00 0.00 C ATOM 483 O VAL A 32 1.559 -6.254 -17.453 1.00 0.00 O ATOM 484 CB VAL A 32 0.221 -8.823 -16.971 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.813 -8.883 -18.381 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.149 -10.221 -16.472 1.00 0.00 C ATOM 0 H VAL A 32 -0.223 -6.791 -15.211 1.00 0.00 H new ATOM 0 HA VAL A 32 1.845 -8.903 -15.616 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.693 -8.231 -17.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.111 -9.381 -19.050 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.001 -7.871 -18.740 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.750 -9.440 -18.359 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.832 -10.691 -17.180 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.753 -10.826 -16.382 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.633 -10.144 -15.498 1.00 0.00 H new ATOM 496 N ALA A 33 3.341 -7.125 -16.366 1.00 0.00 N ATOM 497 CA ALA A 33 4.289 -6.182 -16.936 1.00 0.00 C ATOM 498 C ALA A 33 4.798 -6.722 -18.274 1.00 0.00 C ATOM 499 O ALA A 33 5.497 -7.733 -18.313 1.00 0.00 O ATOM 500 CB ALA A 33 5.422 -5.932 -15.939 1.00 0.00 C ATOM 0 H ALA A 33 3.749 -7.805 -15.725 1.00 0.00 H new ATOM 0 HA ALA A 33 3.807 -5.223 -17.130 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.133 -5.225 -16.366 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.011 -5.521 -15.017 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.930 -6.872 -15.723 1.00 0.00 H new ATOM 506 N VAL A 34 4.426 -6.025 -19.337 1.00 0.00 N ATOM 507 CA VAL A 34 4.835 -6.422 -20.673 1.00 0.00 C ATOM 508 C VAL A 34 6.019 -5.561 -21.117 1.00 0.00 C ATOM 509 O VAL A 34 5.842 -4.584 -21.843 1.00 0.00 O ATOM 510 CB VAL A 34 3.644 -6.341 -21.631 1.00 0.00 C ATOM 511 CG1 VAL A 34 4.087 -6.570 -23.077 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.549 -7.332 -21.229 1.00 0.00 C ATOM 0 H VAL A 34 3.845 -5.187 -19.300 1.00 0.00 H new ATOM 0 HA VAL A 34 5.169 -7.460 -20.677 1.00 0.00 H new ATOM 0 HB VAL A 34 3.227 -5.336 -21.564 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.222 -6.507 -23.737 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.815 -5.809 -23.359 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.541 -7.557 -23.167 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.714 -7.254 -21.926 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.949 -8.346 -21.253 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.203 -7.103 -20.221 1.00 0.00 H new ATOM 522 N VAL A 35 7.200 -5.955 -20.663 1.00 0.00 N ATOM 523 CA VAL A 35 8.412 -5.230 -21.003 1.00 0.00 C ATOM 524 C VAL A 35 8.416 -4.928 -22.503 1.00 0.00 C ATOM 525 O VAL A 35 8.529 -5.838 -23.323 1.00 0.00 O ATOM 526 CB VAL A 35 9.640 -6.022 -20.549 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.564 -7.474 -21.028 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.930 -5.354 -21.027 1.00 0.00 C ATOM 0 H VAL A 35 7.343 -6.767 -20.063 1.00 0.00 H new ATOM 0 HA VAL A 35 8.446 -4.275 -20.479 1.00 0.00 H new ATOM 0 HB VAL A 35 9.650 -6.029 -19.459 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.449 -8.015 -20.692 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.672 -7.947 -20.617 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.517 -7.496 -22.117 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.788 -5.937 -20.691 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.931 -5.302 -22.116 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.992 -4.347 -20.615 1.00 0.00 H new ATOM 538 N GLU A 36 8.292 -3.647 -22.817 1.00 0.00 N ATOM 539 CA GLU A 36 8.282 -3.213 -24.203 1.00 0.00 C ATOM 540 C GLU A 36 9.456 -2.270 -24.474 1.00 0.00 C ATOM 541 O GLU A 36 9.335 -1.058 -24.300 1.00 0.00 O ATOM 542 CB GLU A 36 6.951 -2.548 -24.559 1.00 0.00 C ATOM 543 CG GLU A 36 6.502 -2.939 -25.969 1.00 0.00 C ATOM 544 CD GLU A 36 6.313 -1.700 -26.847 1.00 0.00 C ATOM 545 OE1 GLU A 36 7.049 -0.714 -26.695 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.362 -1.787 -27.715 1.00 0.00 O ATOM 0 H GLU A 36 8.198 -2.895 -22.134 1.00 0.00 H new ATOM 0 HA GLU A 36 8.394 -4.091 -24.839 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.189 -2.841 -23.837 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.053 -1.465 -24.493 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.242 -3.600 -26.420 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.567 -3.497 -25.915 1.00 0.00 H new ATOM 611 N PHE A 41 14.090 3.544 -25.310 1.00 0.00 N ATOM 612 CA PHE A 41 13.743 3.628 -23.902 1.00 0.00 C ATOM 613 C PHE A 41 13.316 2.263 -23.360 1.00 0.00 C ATOM 614 O PHE A 41 13.229 1.292 -24.110 1.00 0.00 O ATOM 615 CB PHE A 41 12.567 4.600 -23.788 1.00 0.00 C ATOM 616 CG PHE A 41 12.963 6.073 -23.906 1.00 0.00 C ATOM 617 CD1 PHE A 41 13.159 6.628 -25.132 1.00 0.00 C ATOM 618 CD2 PHE A 41 13.119 6.828 -22.785 1.00 0.00 C ATOM 619 CE1 PHE A 41 13.527 7.995 -25.242 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.487 8.195 -22.895 1.00 0.00 C ATOM 621 CZ PHE A 41 13.683 8.750 -24.121 1.00 0.00 C ATOM 0 HA PHE A 41 14.605 3.964 -23.326 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.840 4.367 -24.565 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.071 4.443 -22.830 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.035 6.029 -26.022 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.963 6.388 -21.811 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.683 8.435 -26.216 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.611 8.794 -22.005 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.962 9.790 -24.205 1.00 0.00 H new ATOM 631 N LEU A 42 13.060 2.231 -22.060 1.00 0.00 N ATOM 632 CA LEU A 42 12.644 1.001 -21.409 1.00 0.00 C ATOM 633 C LEU A 42 11.262 1.204 -20.783 1.00 0.00 C ATOM 634 O LEU A 42 11.136 1.845 -19.741 1.00 0.00 O ATOM 635 CB LEU A 42 13.707 0.535 -20.413 1.00 0.00 C ATOM 636 CG LEU A 42 14.987 -0.043 -21.020 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.679 -1.266 -21.886 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.759 1.028 -21.794 1.00 0.00 C ATOM 0 H LEU A 42 13.133 3.038 -21.440 1.00 0.00 H new ATOM 0 HA LEU A 42 12.550 0.197 -22.139 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.978 1.380 -19.780 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.263 -0.220 -19.765 1.00 0.00 H new ATOM 0 HG LEU A 42 15.630 -0.378 -20.206 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.606 -1.658 -22.305 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.204 -2.034 -21.275 1.00 0.00 H new ATOM 0 HD13 LEU A 42 14.007 -0.979 -22.695 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.664 0.591 -22.215 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.135 1.416 -22.599 1.00 0.00 H new ATOM 0 HD23 LEU A 42 16.028 1.841 -21.120 1.00 0.00 H new ATOM 650 N ARG A 43 10.260 0.644 -21.445 1.00 0.00 N ATOM 651 CA ARG A 43 8.893 0.754 -20.968 1.00 0.00 C ATOM 652 C ARG A 43 8.362 -0.619 -20.552 1.00 0.00 C ATOM 653 O ARG A 43 8.532 -1.599 -21.276 1.00 0.00 O ATOM 654 CB ARG A 43 7.978 1.342 -22.045 1.00 0.00 C ATOM 655 CG ARG A 43 6.677 1.865 -21.434 1.00 0.00 C ATOM 656 CD ARG A 43 5.603 2.051 -22.508 1.00 0.00 C ATOM 657 NE ARG A 43 6.115 2.923 -23.589 1.00 0.00 N ATOM 658 CZ ARG A 43 5.655 2.904 -24.858 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.668 2.056 -25.216 1.00 0.00 N ATOM 660 NH2 ARG A 43 6.185 3.727 -25.744 1.00 0.00 N ATOM 0 H ARG A 43 10.368 0.112 -22.309 1.00 0.00 H new ATOM 0 HA ARG A 43 8.897 1.422 -20.106 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.493 2.152 -22.562 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.753 0.580 -22.791 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.321 1.168 -20.676 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.863 2.815 -20.932 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.314 1.083 -22.917 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.708 2.491 -22.067 1.00 0.00 H new ATOM 0 HE ARG A 43 6.862 3.579 -23.361 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.264 1.423 -24.526 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.326 2.048 -26.177 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.931 4.365 -25.466 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.849 3.725 -26.707 1.00 0.00 H new ATOM 673 N ALA A 44 7.732 -0.647 -19.387 1.00 0.00 N ATOM 674 CA ALA A 44 7.176 -1.884 -18.866 1.00 0.00 C ATOM 675 C ALA A 44 5.671 -1.711 -18.650 1.00 0.00 C ATOM 676 O ALA A 44 5.238 -1.305 -17.573 1.00 0.00 O ATOM 677 CB ALA A 44 7.909 -2.272 -17.581 1.00 0.00 C ATOM 0 H ALA A 44 7.594 0.168 -18.789 1.00 0.00 H new ATOM 0 HA ALA A 44 7.315 -2.697 -19.578 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.492 -3.200 -17.190 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.969 -2.412 -17.795 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.790 -1.481 -16.841 1.00 0.00 H new ATOM 683 N ARG A 45 4.916 -2.027 -19.692 1.00 0.00 N ATOM 684 CA ARG A 45 3.469 -1.911 -19.630 1.00 0.00 C ATOM 685 C ARG A 45 2.901 -2.891 -18.600 1.00 0.00 C ATOM 686 O ARG A 45 2.924 -4.103 -18.813 1.00 0.00 O ATOM 687 CB ARG A 45 2.834 -2.192 -20.994 1.00 0.00 C ATOM 688 CG ARG A 45 1.339 -1.873 -20.978 1.00 0.00 C ATOM 689 CD ARG A 45 0.550 -2.904 -21.788 1.00 0.00 C ATOM 690 NE ARG A 45 1.286 -3.245 -23.026 1.00 0.00 N ATOM 691 CZ ARG A 45 0.769 -3.976 -24.037 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.494 -4.448 -23.965 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.516 -4.222 -25.096 1.00 0.00 N ATOM 0 H ARG A 45 5.279 -2.363 -20.584 1.00 0.00 H new ATOM 0 HA ARG A 45 3.231 -0.889 -19.335 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.329 -1.594 -21.760 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.983 -3.238 -21.260 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.977 -1.859 -19.950 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.171 -0.877 -21.388 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.389 -3.802 -21.191 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.434 -2.507 -22.038 1.00 0.00 H new ATOM 0 HE ARG A 45 2.244 -2.907 -23.122 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.065 -4.253 -23.143 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.877 -4.999 -24.733 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.469 -3.862 -25.143 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.141 -4.773 -25.868 1.00 0.00 H new ATOM 706 N VAL A 46 2.406 -2.330 -17.507 1.00 0.00 N ATOM 707 CA VAL A 46 1.833 -3.138 -16.444 1.00 0.00 C ATOM 708 C VAL A 46 0.310 -3.148 -16.580 1.00 0.00 C ATOM 709 O VAL A 46 -0.332 -2.103 -16.478 1.00 0.00 O ATOM 710 CB VAL A 46 2.310 -2.627 -15.083 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.262 -3.739 -14.033 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.713 -2.026 -15.183 1.00 0.00 C ATOM 0 H VAL A 46 2.390 -1.325 -17.334 1.00 0.00 H new ATOM 0 HA VAL A 46 2.172 -4.171 -16.525 1.00 0.00 H new ATOM 0 HB VAL A 46 1.630 -1.836 -14.765 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.606 -3.350 -13.075 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.238 -4.100 -13.932 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.907 -4.561 -14.344 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.027 -1.671 -14.202 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.410 -2.787 -15.534 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.702 -1.192 -15.885 1.00 0.00 H new ATOM 722 N GLN A 47 -0.226 -4.338 -16.808 1.00 0.00 N ATOM 723 CA GLN A 47 -1.662 -4.496 -16.960 1.00 0.00 C ATOM 724 C GLN A 47 -2.240 -5.260 -15.767 1.00 0.00 C ATOM 725 O GLN A 47 -1.686 -6.274 -15.347 1.00 0.00 O ATOM 726 CB GLN A 47 -2.000 -5.198 -18.276 1.00 0.00 C ATOM 727 CG GLN A 47 -3.455 -5.673 -18.286 1.00 0.00 C ATOM 728 CD GLN A 47 -4.049 -5.592 -19.694 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.441 -6.582 -20.288 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.093 -4.358 -20.191 1.00 0.00 N ATOM 0 H GLN A 47 0.309 -5.202 -16.891 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.116 -3.506 -16.988 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.830 -4.517 -19.110 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.335 -6.049 -18.420 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.509 -6.700 -17.923 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.045 -5.062 -17.603 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.747 -3.573 -19.639 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.472 -4.197 -21.124 1.00 0.00 H new ATOM 739 N GLN A 48 -3.348 -4.743 -15.255 1.00 0.00 N ATOM 740 CA GLN A 48 -4.006 -5.363 -14.118 1.00 0.00 C ATOM 741 C GLN A 48 -5.085 -6.337 -14.596 1.00 0.00 C ATOM 742 O GLN A 48 -5.991 -5.953 -15.333 1.00 0.00 O ATOM 743 CB GLN A 48 -4.599 -4.306 -13.183 1.00 0.00 C ATOM 744 CG GLN A 48 -5.531 -4.945 -12.153 1.00 0.00 C ATOM 745 CD GLN A 48 -4.913 -6.217 -11.569 1.00 0.00 C ATOM 746 OE1 GLN A 48 -5.433 -7.312 -11.708 1.00 0.00 O ATOM 747 NE2 GLN A 48 -3.778 -6.012 -10.908 1.00 0.00 N ATOM 0 H GLN A 48 -3.806 -3.902 -15.607 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.261 -5.923 -13.554 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.795 -3.776 -12.672 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.148 -3.567 -13.766 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.735 -4.235 -11.352 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.487 -5.182 -12.620 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.397 -5.069 -10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.288 -6.798 -10.480 1.00 0.00 H new ATOM 756 N ILE A 49 -4.950 -7.581 -14.158 1.00 0.00 N ATOM 757 CA ILE A 49 -5.902 -8.613 -14.532 1.00 0.00 C ATOM 758 C ILE A 49 -6.035 -9.617 -13.385 1.00 0.00 C ATOM 759 O ILE A 49 -5.210 -9.637 -12.473 1.00 0.00 O ATOM 760 CB ILE A 49 -5.503 -9.251 -15.864 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.125 -9.908 -15.766 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.572 -8.231 -17.003 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.038 -8.866 -15.498 1.00 0.00 C ATOM 0 H ILE A 49 -4.196 -7.897 -13.548 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.889 -8.181 -14.694 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.220 -10.039 -16.094 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.128 -10.649 -14.967 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.905 -10.439 -16.692 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.284 -8.710 -17.939 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.590 -7.850 -17.089 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.892 -7.405 -16.794 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.069 -9.360 -15.433 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.022 -8.140 -16.311 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.248 -8.354 -14.559 1.00 0.00 H new ATOM 775 N GLN A 50 -7.083 -10.425 -13.467 1.00 0.00 N ATOM 776 CA GLN A 50 -7.336 -11.428 -12.448 1.00 0.00 C ATOM 777 C GLN A 50 -6.741 -12.774 -12.869 1.00 0.00 C ATOM 778 O GLN A 50 -7.450 -13.635 -13.387 1.00 0.00 O ATOM 779 CB GLN A 50 -8.833 -11.556 -12.164 1.00 0.00 C ATOM 780 CG GLN A 50 -9.314 -10.431 -11.245 1.00 0.00 C ATOM 781 CD GLN A 50 -10.191 -9.436 -12.009 1.00 0.00 C ATOM 782 OE1 GLN A 50 -11.383 -9.627 -12.185 1.00 0.00 O ATOM 783 NE2 GLN A 50 -9.536 -8.367 -12.453 1.00 0.00 N ATOM 0 H GLN A 50 -7.766 -10.405 -14.224 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.851 -11.110 -11.525 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.389 -11.527 -13.101 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.038 -12.521 -11.701 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.877 -10.852 -10.412 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.455 -9.912 -10.819 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.537 -8.269 -12.271 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.032 -7.645 -12.976 1.00 0.00 H new ATOM 792 N VAL A 51 -5.445 -12.913 -12.630 1.00 0.00 N ATOM 793 CA VAL A 51 -4.747 -14.139 -12.978 1.00 0.00 C ATOM 794 C VAL A 51 -3.945 -14.625 -11.770 1.00 0.00 C ATOM 795 O VAL A 51 -3.294 -13.830 -11.092 1.00 0.00 O ATOM 796 CB VAL A 51 -3.881 -13.913 -14.220 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.735 -13.476 -15.411 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.772 -12.898 -13.937 1.00 0.00 C ATOM 0 H VAL A 51 -4.860 -12.197 -12.200 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.458 -14.925 -13.232 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.409 -14.861 -14.477 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.096 -13.322 -16.280 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.471 -14.249 -15.634 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.248 -12.545 -15.169 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.171 -12.756 -14.835 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.216 -11.947 -13.643 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.138 -13.267 -13.131 1.00 0.00 H new ATOM 998 N SER A 65 15.861 -8.817 -17.386 1.00 0.00 N ATOM 999 CA SER A 65 16.819 -8.120 -16.545 1.00 0.00 C ATOM 1000 C SER A 65 16.625 -6.607 -16.675 1.00 0.00 C ATOM 1001 O SER A 65 17.596 -5.854 -16.713 1.00 0.00 O ATOM 1002 CB SER A 65 18.255 -8.503 -16.909 1.00 0.00 C ATOM 1003 OG SER A 65 18.857 -7.550 -17.780 1.00 0.00 O ATOM 0 HA SER A 65 16.644 -8.416 -15.511 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.849 -8.589 -15.999 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.259 -9.483 -17.386 1.00 0.00 H new ATOM 0 HG SER A 65 18.830 -6.663 -17.364 1.00 0.00 H new ATOM 1009 N GLN A 66 15.363 -6.208 -16.739 1.00 0.00 N ATOM 1010 CA GLN A 66 15.029 -4.800 -16.862 1.00 0.00 C ATOM 1011 C GLN A 66 14.120 -4.366 -15.711 1.00 0.00 C ATOM 1012 O GLN A 66 14.470 -3.471 -14.943 1.00 0.00 O ATOM 1013 CB GLN A 66 14.376 -4.508 -18.216 1.00 0.00 C ATOM 1014 CG GLN A 66 15.360 -4.747 -19.362 1.00 0.00 C ATOM 1015 CD GLN A 66 16.606 -3.871 -19.208 1.00 0.00 C ATOM 1016 OE1 GLN A 66 17.714 -4.349 -19.033 1.00 0.00 O ATOM 1017 NE2 GLN A 66 16.361 -2.566 -19.282 1.00 0.00 N ATOM 0 H GLN A 66 14.560 -6.836 -16.708 1.00 0.00 H new ATOM 0 HA GLN A 66 15.952 -4.222 -16.807 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.500 -5.143 -18.346 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.027 -3.476 -18.241 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.650 -5.797 -19.384 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.875 -4.531 -20.314 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.408 -2.234 -19.430 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.126 -1.897 -19.191 1.00 0.00 H new ATOM 1026 N LEU A 67 12.971 -5.021 -15.627 1.00 0.00 N ATOM 1027 CA LEU A 67 12.011 -4.714 -14.581 1.00 0.00 C ATOM 1028 C LEU A 67 12.586 -5.132 -13.226 1.00 0.00 C ATOM 1029 O LEU A 67 13.222 -6.179 -13.115 1.00 0.00 O ATOM 1030 CB LEU A 67 10.655 -5.350 -14.895 1.00 0.00 C ATOM 1031 CG LEU A 67 9.928 -4.807 -16.127 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.831 -4.855 -17.362 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.606 -5.543 -16.353 1.00 0.00 C ATOM 0 H LEU A 67 12.684 -5.762 -16.266 1.00 0.00 H new ATOM 0 HA LEU A 67 11.831 -3.640 -14.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.801 -6.422 -15.027 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.006 -5.221 -14.029 1.00 0.00 H new ATOM 0 HG LEU A 67 9.685 -3.760 -15.947 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.290 -4.464 -18.224 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.720 -4.250 -17.186 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.126 -5.886 -17.557 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.110 -5.137 -17.235 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.802 -6.605 -16.503 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.963 -5.412 -15.483 1.00 0.00 H new ATOM 1045 N PRO A 68 12.336 -4.270 -12.205 1.00 0.00 N ATOM 1046 CA PRO A 68 12.824 -4.539 -10.862 1.00 0.00 C ATOM 1047 C PRO A 68 11.995 -5.633 -10.187 1.00 0.00 C ATOM 1048 O PRO A 68 10.925 -5.996 -10.674 1.00 0.00 O ATOM 1049 CB PRO A 68 12.745 -3.204 -10.140 1.00 0.00 C ATOM 1050 CG PRO A 68 11.788 -2.347 -10.952 1.00 0.00 C ATOM 1051 CD PRO A 68 11.586 -3.021 -12.300 1.00 0.00 C ATOM 0 HA PRO A 68 13.845 -4.921 -10.854 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.384 -3.333 -9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.728 -2.737 -10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.836 -2.241 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.193 -1.344 -11.084 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.530 -3.207 -12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.956 -2.398 -13.114 1.00 0.00 H new ATOM 1059 N LEU A 69 12.520 -6.130 -9.077 1.00 0.00 N ATOM 1060 CA LEU A 69 11.842 -7.174 -8.330 1.00 0.00 C ATOM 1061 C LEU A 69 10.665 -6.567 -7.563 1.00 0.00 C ATOM 1062 O LEU A 69 9.795 -7.288 -7.081 1.00 0.00 O ATOM 1063 CB LEU A 69 12.833 -7.927 -7.439 1.00 0.00 C ATOM 1064 CG LEU A 69 12.723 -9.452 -7.452 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.374 -9.910 -6.893 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.980 -10.008 -8.854 1.00 0.00 C ATOM 0 H LEU A 69 13.408 -5.828 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 69 11.429 -7.920 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.844 -7.653 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.703 -7.582 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 69 13.496 -9.855 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.322 -10.999 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.269 -9.561 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.569 -9.497 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.896 -11.095 -8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.246 -9.599 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.982 -9.727 -9.179 1.00 0.00 H new ATOM 1078 N MET A 70 10.679 -5.245 -7.475 1.00 0.00 N ATOM 1079 CA MET A 70 9.624 -4.530 -6.776 1.00 0.00 C ATOM 1080 C MET A 70 9.640 -3.043 -7.130 1.00 0.00 C ATOM 1081 O MET A 70 10.706 -2.447 -7.277 1.00 0.00 O ATOM 1082 CB MET A 70 9.809 -4.698 -5.265 1.00 0.00 C ATOM 1083 CG MET A 70 8.829 -3.813 -4.492 1.00 0.00 C ATOM 1084 SD MET A 70 9.720 -2.765 -3.355 1.00 0.00 S ATOM 1085 CE MET A 70 8.503 -2.611 -2.058 1.00 0.00 C ATOM 0 H MET A 70 11.404 -4.650 -7.876 1.00 0.00 H new ATOM 0 HA MET A 70 8.664 -4.946 -7.083 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.657 -5.742 -4.990 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.832 -4.441 -4.989 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.252 -3.202 -5.186 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.118 -4.434 -3.947 1.00 0.00 H new ATOM 0 HE1 MET A 70 8.847 -1.886 -1.321 1.00 0.00 H new ATOM 0 HE2 MET A 70 7.558 -2.275 -2.484 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.360 -3.578 -1.576 1.00 0.00 H new ATOM 1095 N TRP A 71 8.445 -2.484 -7.258 1.00 0.00 N ATOM 1096 CA TRP A 71 8.308 -1.076 -7.592 1.00 0.00 C ATOM 1097 C TRP A 71 7.834 -0.337 -6.338 1.00 0.00 C ATOM 1098 O TRP A 71 7.226 -0.936 -5.453 1.00 0.00 O ATOM 1099 CB TRP A 71 7.375 -0.885 -8.788 1.00 0.00 C ATOM 1100 CG TRP A 71 8.088 -0.890 -10.142 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.184 -0.208 -10.500 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.708 -1.647 -11.310 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.537 -0.467 -11.808 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.612 -1.371 -12.316 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.638 -2.536 -11.510 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.535 -1.941 -13.593 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.575 -3.098 -12.791 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.476 -2.830 -13.815 1.00 0.00 C ATOM 0 H TRP A 71 7.563 -2.981 -7.136 1.00 0.00 H new ATOM 0 HA TRP A 71 9.266 -0.657 -7.901 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.626 -1.676 -8.781 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.843 0.059 -8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.724 0.461 -9.846 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.331 -0.068 -12.310 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.921 -2.767 -10.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.253 -1.708 -14.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.770 -3.788 -12.998 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.360 -3.305 -14.778 1.00 0.00 H new ATOM 1119 N GLN A 72 8.131 0.953 -6.304 1.00 0.00 N ATOM 1120 CA GLN A 72 7.743 1.780 -5.173 1.00 0.00 C ATOM 1121 C GLN A 72 7.158 3.107 -5.662 1.00 0.00 C ATOM 1122 O GLN A 72 7.899 4.028 -6.005 1.00 0.00 O ATOM 1123 CB GLN A 72 8.928 2.016 -4.234 1.00 0.00 C ATOM 1124 CG GLN A 72 8.449 2.288 -2.806 1.00 0.00 C ATOM 1125 CD GLN A 72 8.215 0.980 -2.049 1.00 0.00 C ATOM 1126 OE1 GLN A 72 9.066 0.492 -1.323 1.00 0.00 O ATOM 1127 NE2 GLN A 72 7.017 0.441 -2.257 1.00 0.00 N ATOM 0 H GLN A 72 8.635 1.446 -7.041 1.00 0.00 H new ATOM 0 HA GLN A 72 6.974 1.252 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.583 1.144 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.517 2.861 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.189 2.890 -2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.526 2.868 -2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.351 0.902 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.764 -0.433 -1.796 1.00 0.00 H new ATOM 1136 N LEU A 73 5.835 3.162 -5.682 1.00 0.00 N ATOM 1137 CA LEU A 73 5.142 4.360 -6.125 1.00 0.00 C ATOM 1138 C LEU A 73 5.694 5.572 -5.371 1.00 0.00 C ATOM 1139 O LEU A 73 5.561 5.663 -4.152 1.00 0.00 O ATOM 1140 CB LEU A 73 3.629 4.187 -5.983 1.00 0.00 C ATOM 1141 CG LEU A 73 2.788 5.451 -6.170 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.205 6.205 -7.435 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.294 5.123 -6.167 1.00 0.00 C ATOM 0 H LEU A 73 5.224 2.396 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 73 5.323 4.533 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.299 3.444 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.421 3.780 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 73 2.974 6.112 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.592 7.099 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.254 6.491 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.067 5.562 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.720 6.040 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.071 4.433 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.025 4.662 -5.217 1.00 0.00 H new ATOM 1155 N TYR A 74 6.304 6.471 -6.129 1.00 0.00 N ATOM 1156 CA TYR A 74 6.877 7.674 -5.548 1.00 0.00 C ATOM 1157 C TYR A 74 5.962 8.880 -5.770 1.00 0.00 C ATOM 1158 O TYR A 74 4.876 8.745 -6.333 1.00 0.00 O ATOM 1159 CB TYR A 74 8.198 7.909 -6.283 1.00 0.00 C ATOM 1160 CG TYR A 74 9.432 7.849 -5.380 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.504 6.910 -4.372 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.472 8.735 -5.574 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.665 6.853 -3.522 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.633 8.680 -4.724 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.672 7.741 -3.739 1.00 0.00 C ATOM 1166 OH TYR A 74 12.769 7.688 -2.937 1.00 0.00 O ATOM 0 H TYR A 74 6.414 6.391 -7.140 1.00 0.00 H new ATOM 0 HA TYR A 74 7.012 7.554 -4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.301 7.163 -7.071 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.163 8.884 -6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.689 6.217 -4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.415 9.470 -6.363 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.734 6.122 -2.730 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.454 9.368 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 74 13.500 7.240 -3.412 1.00 0.00 H new ATOM 1176 N PRO A 75 6.447 10.063 -5.305 1.00 0.00 N ATOM 1177 CA PRO A 75 5.684 11.291 -5.448 1.00 0.00 C ATOM 1178 C PRO A 75 5.730 11.800 -6.891 1.00 0.00 C ATOM 1179 O PRO A 75 6.370 11.192 -7.747 1.00 0.00 O ATOM 1180 CB PRO A 75 6.309 12.259 -4.457 1.00 0.00 C ATOM 1181 CG PRO A 75 7.683 11.695 -4.132 1.00 0.00 C ATOM 1182 CD PRO A 75 7.727 10.260 -4.633 1.00 0.00 C ATOM 0 HA PRO A 75 4.623 11.155 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.388 13.258 -4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.699 12.345 -3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.462 12.290 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.866 11.730 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.561 10.105 -5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.855 9.557 -3.810 1.00 0.00 H new ATOM 1190 N GLU A 76 5.044 12.911 -7.114 1.00 0.00 N ATOM 1191 CA GLU A 76 4.998 13.509 -8.438 1.00 0.00 C ATOM 1192 C GLU A 76 4.163 12.642 -9.383 1.00 0.00 C ATOM 1193 O GLU A 76 3.001 12.946 -9.646 1.00 0.00 O ATOM 1194 CB GLU A 76 6.408 13.722 -8.992 1.00 0.00 C ATOM 1195 CG GLU A 76 6.873 15.163 -8.767 1.00 0.00 C ATOM 1196 CD GLU A 76 6.619 16.021 -10.007 1.00 0.00 C ATOM 1197 OE1 GLU A 76 5.544 16.626 -10.133 1.00 0.00 O ATOM 1198 OE2 GLU A 76 7.587 16.048 -10.859 1.00 0.00 O ATOM 0 H GLU A 76 4.515 13.413 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 76 4.523 14.487 -8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.101 13.033 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.422 13.493 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.348 15.589 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.936 15.172 -8.525 1.00 0.00 H new ATOM 1206 N GLU A 77 4.789 11.579 -9.868 1.00 0.00 N ATOM 1207 CA GLU A 77 4.119 10.667 -10.778 1.00 0.00 C ATOM 1208 C GLU A 77 5.129 9.701 -11.401 1.00 0.00 C ATOM 1209 O GLU A 77 5.316 9.692 -12.617 1.00 0.00 O ATOM 1210 CB GLU A 77 3.355 11.434 -11.859 1.00 0.00 C ATOM 1211 CG GLU A 77 2.836 10.485 -12.942 1.00 0.00 C ATOM 1212 CD GLU A 77 1.533 11.008 -13.551 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.473 12.168 -13.986 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.560 10.162 -13.565 1.00 0.00 O ATOM 0 H GLU A 77 5.753 11.330 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 77 3.393 10.086 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.519 11.969 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.007 12.183 -12.309 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.588 10.373 -13.723 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.671 9.496 -12.515 1.00 0.00 H new ATOM 1222 N ARG A 78 5.754 8.912 -10.540 1.00 0.00 N ATOM 1223 CA ARG A 78 6.741 7.945 -10.990 1.00 0.00 C ATOM 1224 C ARG A 78 6.891 6.821 -9.963 1.00 0.00 C ATOM 1225 O ARG A 78 6.525 6.986 -8.800 1.00 0.00 O ATOM 1226 CB ARG A 78 8.101 8.609 -11.212 1.00 0.00 C ATOM 1227 CG ARG A 78 7.967 9.852 -12.094 1.00 0.00 C ATOM 1228 CD ARG A 78 9.339 10.450 -12.411 1.00 0.00 C ATOM 1229 NE ARG A 78 9.178 11.750 -13.099 1.00 0.00 N ATOM 1230 CZ ARG A 78 10.155 12.677 -13.205 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.372 12.453 -12.667 1.00 0.00 N ATOM 1232 NH2 ARG A 78 9.899 13.805 -13.843 1.00 0.00 N ATOM 0 H ARG A 78 5.596 8.922 -9.532 1.00 0.00 H new ATOM 0 HA ARG A 78 6.392 7.532 -11.936 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.536 8.885 -10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.784 7.899 -11.679 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.457 9.591 -13.021 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.350 10.596 -11.589 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.908 10.584 -11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.907 9.764 -13.040 1.00 0.00 H new ATOM 0 HE ARG A 78 8.273 11.959 -13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.560 11.579 -12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.104 13.158 -12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.976 13.965 -14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.625 14.516 -13.933 1.00 0.00 H new ATOM 1245 N TYR A 79 7.429 5.705 -10.429 1.00 0.00 N ATOM 1246 CA TYR A 79 7.632 4.554 -9.565 1.00 0.00 C ATOM 1247 C TYR A 79 9.121 4.306 -9.322 1.00 0.00 C ATOM 1248 O TYR A 79 9.883 4.101 -10.266 1.00 0.00 O ATOM 1249 CB TYR A 79 7.043 3.356 -10.314 1.00 0.00 C ATOM 1250 CG TYR A 79 5.586 3.057 -9.961 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.714 4.092 -9.689 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.140 1.751 -9.916 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.342 3.811 -9.356 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.768 1.470 -9.584 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.937 2.513 -9.320 1.00 0.00 C ATOM 1256 OH TYR A 79 1.640 2.247 -9.006 1.00 0.00 O ATOM 0 H TYR A 79 7.731 5.572 -11.394 1.00 0.00 H new ATOM 0 HA TYR A 79 7.161 4.714 -8.595 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.116 3.539 -11.386 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.646 2.474 -10.099 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.062 5.114 -9.726 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.821 0.940 -10.130 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.651 4.612 -9.140 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.407 0.453 -9.545 1.00 0.00 H new ATOM 0 HH TYR A 79 1.583 1.376 -8.560 1.00 0.00 H new ATOM 1266 N MET A 80 9.493 4.334 -8.050 1.00 0.00 N ATOM 1267 CA MET A 80 10.879 4.117 -7.671 1.00 0.00 C ATOM 1268 C MET A 80 11.124 2.651 -7.307 1.00 0.00 C ATOM 1269 O MET A 80 10.489 2.118 -6.398 1.00 0.00 O ATOM 1270 CB MET A 80 11.226 5.005 -6.474 1.00 0.00 C ATOM 1271 CG MET A 80 12.692 4.830 -6.069 1.00 0.00 C ATOM 1272 SD MET A 80 13.433 6.424 -5.759 1.00 0.00 S ATOM 1273 CE MET A 80 14.949 6.247 -6.685 1.00 0.00 C ATOM 0 H MET A 80 8.859 4.504 -7.269 1.00 0.00 H new ATOM 0 HA MET A 80 11.513 4.372 -8.520 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.036 6.049 -6.724 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.580 4.756 -5.632 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.760 4.208 -5.176 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.237 4.314 -6.859 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.537 7.161 -6.598 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.521 5.408 -6.289 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.715 6.064 -7.734 1.00 0.00 H new ATOM 1283 N ASP A 81 12.047 2.040 -8.036 1.00 0.00 N ATOM 1284 CA ASP A 81 12.384 0.645 -7.801 1.00 0.00 C ATOM 1285 C ASP A 81 13.467 0.562 -6.724 1.00 0.00 C ATOM 1286 O ASP A 81 13.826 1.572 -6.119 1.00 0.00 O ATOM 1287 CB ASP A 81 12.928 -0.011 -9.071 1.00 0.00 C ATOM 1288 CG ASP A 81 14.318 0.463 -9.499 1.00 0.00 C ATOM 1289 OD1 ASP A 81 14.796 0.133 -10.595 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.927 1.211 -8.643 1.00 0.00 O ATOM 0 H ASP A 81 12.572 2.485 -8.789 1.00 0.00 H new ATOM 0 HA ASP A 81 11.478 0.127 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.959 -1.090 -8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.230 0.177 -9.887 1.00 0.00 H new ATOM 1296 N ASN A 82 13.959 -0.651 -6.517 1.00 0.00 N ATOM 1297 CA ASN A 82 14.995 -0.878 -5.523 1.00 0.00 C ATOM 1298 C ASN A 82 16.311 -1.203 -6.232 1.00 0.00 C ATOM 1299 O ASN A 82 17.328 -1.442 -5.581 1.00 0.00 O ATOM 1300 CB ASN A 82 14.640 -2.061 -4.620 1.00 0.00 C ATOM 1301 CG ASN A 82 14.561 -3.361 -5.424 1.00 0.00 C ATOM 1302 OD1 ASN A 82 15.549 -4.033 -5.667 1.00 0.00 O ATOM 1303 ND2 ASN A 82 13.331 -3.677 -5.821 1.00 0.00 N ATOM 0 H ASN A 82 13.660 -1.486 -7.020 1.00 0.00 H new ATOM 0 HA ASN A 82 15.087 0.024 -4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.389 -2.160 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 82 13.685 -1.874 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.172 -4.526 -6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.547 -3.070 -5.583 1.00 0.00 H new ATOM 1310 N ASN A 83 16.251 -1.200 -7.555 1.00 0.00 N ATOM 1311 CA ASN A 83 17.427 -1.491 -8.359 1.00 0.00 C ATOM 1312 C ASN A 83 18.278 -0.225 -8.485 1.00 0.00 C ATOM 1313 O ASN A 83 19.353 -0.254 -9.082 1.00 0.00 O ATOM 1314 CB ASN A 83 17.034 -1.939 -9.767 1.00 0.00 C ATOM 1315 CG ASN A 83 18.124 -2.815 -10.388 1.00 0.00 C ATOM 1316 OD1 ASN A 83 19.215 -2.365 -10.701 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.771 -4.087 -10.548 1.00 0.00 N ATOM 0 H ASN A 83 15.407 -1.001 -8.091 1.00 0.00 H new ATOM 0 HA ASN A 83 17.982 -2.291 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.096 -2.493 -9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.862 -1.065 -10.396 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.429 -4.752 -10.954 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.842 -4.398 -10.265 1.00 0.00 H new ATOM 1324 N SER A 84 17.765 0.854 -7.914 1.00 0.00 N ATOM 1325 CA SER A 84 18.465 2.127 -7.955 1.00 0.00 C ATOM 1326 C SER A 84 18.073 2.899 -9.216 1.00 0.00 C ATOM 1327 O SER A 84 18.906 3.578 -9.815 1.00 0.00 O ATOM 1328 CB SER A 84 19.980 1.924 -7.905 1.00 0.00 C ATOM 1329 OG SER A 84 20.633 2.954 -7.167 1.00 0.00 O ATOM 0 H SER A 84 16.873 0.874 -7.420 1.00 0.00 H new ATOM 0 HA SER A 84 18.175 2.706 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.201 0.958 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.376 1.899 -8.920 1.00 0.00 H new ATOM 0 HG SER A 84 21.599 2.787 -7.157 1.00 0.00 H new ATOM 1335 N ARG A 85 16.807 2.769 -9.582 1.00 0.00 N ATOM 1336 CA ARG A 85 16.295 3.446 -10.762 1.00 0.00 C ATOM 1337 C ARG A 85 14.878 3.961 -10.504 1.00 0.00 C ATOM 1338 O ARG A 85 14.172 3.441 -9.642 1.00 0.00 O ATOM 1339 CB ARG A 85 16.278 2.510 -11.972 1.00 0.00 C ATOM 1340 CG ARG A 85 17.628 1.807 -12.139 1.00 0.00 C ATOM 1341 CD ARG A 85 18.064 1.799 -13.606 1.00 0.00 C ATOM 1342 NE ARG A 85 19.407 1.193 -13.732 1.00 0.00 N ATOM 1343 CZ ARG A 85 20.010 0.926 -14.910 1.00 0.00 C ATOM 1344 NH1 ARG A 85 19.391 1.209 -16.076 1.00 0.00 N ATOM 1345 NH2 ARG A 85 21.213 0.382 -14.905 1.00 0.00 N ATOM 0 H ARG A 85 16.120 2.205 -9.082 1.00 0.00 H new ATOM 0 HA ARG A 85 16.957 4.285 -10.977 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.489 1.767 -11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.046 3.078 -12.873 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.382 2.311 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.557 0.783 -11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.346 1.238 -14.204 1.00 0.00 H new ATOM 0 HD3 ARG A 85 18.078 2.817 -13.995 1.00 0.00 H new ATOM 0 HE ARG A 85 19.909 0.962 -12.875 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.461 1.628 -16.071 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.853 1.004 -16.962 1.00 0.00 H new ATOM 0 HH21 ARG A 85 21.673 0.170 -14.020 1.00 0.00 H new ATOM 0 HH22 ARG A 85 21.682 0.174 -15.786 1.00 0.00 H new ATOM 1358 N LEU A 86 14.503 4.976 -11.268 1.00 0.00 N ATOM 1359 CA LEU A 86 13.183 5.567 -11.134 1.00 0.00 C ATOM 1360 C LEU A 86 12.437 5.450 -12.465 1.00 0.00 C ATOM 1361 O LEU A 86 12.886 5.978 -13.480 1.00 0.00 O ATOM 1362 CB LEU A 86 13.289 7.002 -10.614 1.00 0.00 C ATOM 1363 CG LEU A 86 12.069 7.534 -9.858 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.173 9.044 -9.642 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.772 7.143 -10.566 1.00 0.00 C ATOM 0 H LEU A 86 15.091 5.405 -11.983 1.00 0.00 H new ATOM 0 HA LEU A 86 12.598 5.025 -10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.156 7.066 -9.956 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.483 7.661 -11.461 1.00 0.00 H new ATOM 0 HG LEU A 86 12.049 7.070 -8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.294 9.396 -9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.068 9.268 -9.062 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.232 9.546 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.921 7.533 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.767 7.560 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.701 6.057 -10.622 1.00 0.00 H new ATOM 1377 N TRP A 87 11.312 4.752 -12.416 1.00 0.00 N ATOM 1378 CA TRP A 87 10.500 4.557 -13.606 1.00 0.00 C ATOM 1379 C TRP A 87 9.427 5.648 -13.631 1.00 0.00 C ATOM 1380 O TRP A 87 8.814 5.943 -12.606 1.00 0.00 O ATOM 1381 CB TRP A 87 9.917 3.143 -13.646 1.00 0.00 C ATOM 1382 CG TRP A 87 10.971 2.035 -13.629 1.00 0.00 C ATOM 1383 CD1 TRP A 87 12.017 1.903 -12.801 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.040 0.900 -14.518 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.751 0.772 -13.090 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.138 0.141 -14.167 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.201 0.527 -15.583 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.499 -1.037 -14.831 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.577 -0.654 -16.236 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.679 -1.428 -15.896 1.00 0.00 C ATOM 0 H TRP A 87 10.943 4.315 -11.572 1.00 0.00 H new ATOM 0 HA TRP A 87 11.108 4.647 -14.507 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.252 3.011 -12.792 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.308 3.037 -14.544 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.255 2.596 -12.007 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.590 0.456 -12.603 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.336 1.105 -15.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.364 -1.613 -14.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.967 -0.986 -17.063 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.902 -2.327 -16.451 1.00 0.00 H new ATOM 1401 N GLN A 88 9.233 6.216 -14.811 1.00 0.00 N ATOM 1402 CA GLN A 88 8.244 7.267 -14.983 1.00 0.00 C ATOM 1403 C GLN A 88 6.920 6.675 -15.466 1.00 0.00 C ATOM 1404 O GLN A 88 6.871 6.017 -16.504 1.00 0.00 O ATOM 1405 CB GLN A 88 8.749 8.342 -15.948 1.00 0.00 C ATOM 1406 CG GLN A 88 7.590 9.190 -16.478 1.00 0.00 C ATOM 1407 CD GLN A 88 8.005 10.656 -16.623 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.169 11.009 -16.541 1.00 0.00 O ATOM 1409 NE2 GLN A 88 6.988 11.485 -16.842 1.00 0.00 N ATOM 0 H GLN A 88 9.744 5.969 -15.658 1.00 0.00 H new ATOM 0 HA GLN A 88 8.076 7.743 -14.017 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.470 8.982 -15.440 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.271 7.872 -16.781 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.264 8.803 -17.443 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.740 9.114 -15.800 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.037 11.121 -16.899 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.159 12.484 -16.953 1.00 0.00 H new ATOM 1418 N ILE A 89 5.876 6.930 -14.690 1.00 0.00 N ATOM 1419 CA ILE A 89 4.554 6.431 -15.026 1.00 0.00 C ATOM 1420 C ILE A 89 4.097 7.057 -16.345 1.00 0.00 C ATOM 1421 O ILE A 89 3.543 8.156 -16.355 1.00 0.00 O ATOM 1422 CB ILE A 89 3.584 6.661 -13.866 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.065 5.952 -12.599 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.162 6.246 -14.251 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.739 4.458 -12.649 1.00 0.00 C ATOM 0 H ILE A 89 5.920 7.476 -13.829 1.00 0.00 H new ATOM 0 HA ILE A 89 4.581 5.352 -15.178 1.00 0.00 H new ATOM 0 HB ILE A 89 3.560 7.729 -13.647 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.140 6.090 -12.487 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.594 6.402 -11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.492 6.419 -13.409 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.830 6.835 -15.106 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.150 5.188 -14.512 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.092 3.978 -11.736 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.661 4.324 -12.736 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.232 4.007 -13.510 1.00 0.00 H new ATOM 1437 N GLN A 90 4.344 6.332 -17.426 1.00 0.00 N ATOM 1438 CA GLN A 90 3.965 6.804 -18.747 1.00 0.00 C ATOM 1439 C GLN A 90 2.479 7.169 -18.772 1.00 0.00 C ATOM 1440 O GLN A 90 2.103 8.219 -19.292 1.00 0.00 O ATOM 1441 CB GLN A 90 4.291 5.759 -19.816 1.00 0.00 C ATOM 1442 CG GLN A 90 5.246 6.330 -20.866 1.00 0.00 C ATOM 1443 CD GLN A 90 4.541 7.371 -21.739 1.00 0.00 C ATOM 1444 OE1 GLN A 90 4.366 8.518 -21.363 1.00 0.00 O ATOM 1445 NE2 GLN A 90 4.150 6.908 -22.923 1.00 0.00 N ATOM 0 H GLN A 90 4.802 5.421 -17.414 1.00 0.00 H new ATOM 0 HA GLN A 90 4.544 7.700 -18.973 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.740 4.883 -19.348 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.371 5.427 -20.298 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.105 6.785 -20.373 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.628 5.524 -21.492 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.328 5.936 -23.175 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.672 7.525 -23.579 1.00 0.00 H new ATOM 1454 N HIS A 91 1.674 6.282 -18.205 1.00 0.00 N ATOM 1455 CA HIS A 91 0.238 6.499 -18.157 1.00 0.00 C ATOM 1456 C HIS A 91 -0.413 5.427 -17.279 1.00 0.00 C ATOM 1457 O HIS A 91 0.059 4.293 -17.226 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.351 6.548 -19.568 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.809 5.207 -20.090 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -0.529 4.767 -21.372 1.00 0.00 N ATOM 1461 CD2 HIS A 91 -1.526 4.215 -19.490 1.00 0.00 C ATOM 1462 CE1 HIS A 91 -1.061 3.563 -21.526 1.00 0.00 C ATOM 1463 NE2 HIS A 91 -1.679 3.223 -20.358 1.00 0.00 N ATOM 0 H HIS A 91 1.989 5.412 -17.775 1.00 0.00 H new ATOM 0 HA HIS A 91 0.027 7.468 -17.704 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.196 7.236 -19.574 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.397 6.955 -20.249 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.905 4.233 -18.479 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.014 2.957 -22.419 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.177 2.350 -20.181 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.486 5.826 -16.613 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.208 4.915 -15.742 1.00 0.00 C ATOM 1473 C HIS A 92 -3.710 5.191 -15.840 1.00 0.00 C ATOM 1474 O HIS A 92 -4.186 6.221 -15.366 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.681 5.001 -14.308 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.428 4.133 -13.326 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -3.104 4.647 -12.233 1.00 0.00 N ATOM 1478 CD2 HIS A 92 -2.600 2.780 -13.282 1.00 0.00 C ATOM 1479 CE1 HIS A 92 -3.654 3.641 -11.568 1.00 0.00 C ATOM 1480 NE2 HIS A 92 -3.339 2.485 -12.220 1.00 0.00 N ATOM 0 H HIS A 92 -1.873 6.769 -16.659 1.00 0.00 H new ATOM 0 HA HIS A 92 -2.041 3.888 -16.067 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.629 4.717 -14.301 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.733 6.037 -13.974 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.202 2.070 -13.991 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.247 3.722 -10.669 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.625 1.547 -11.938 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.413 4.253 -16.457 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.850 4.385 -16.624 1.00 0.00 C ATOM 1490 C LEU A 93 -6.497 3.001 -16.541 1.00 0.00 C ATOM 1491 O LEU A 93 -5.839 2.024 -16.186 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.173 5.137 -17.916 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.202 4.924 -19.078 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -3.960 5.804 -18.924 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.840 3.443 -19.225 1.00 0.00 C ATOM 0 H LEU A 93 -4.014 3.399 -16.847 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.273 4.985 -15.819 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.170 4.844 -18.244 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.212 6.203 -17.692 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.700 5.228 -19.999 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.286 5.633 -19.764 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.257 6.853 -18.905 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.450 5.555 -17.993 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.148 3.318 -20.058 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.369 3.091 -18.307 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.744 2.865 -19.414 1.00 0.00 H new ATOM 1507 N MET A 94 -7.780 2.961 -16.872 1.00 0.00 N ATOM 1508 CA MET A 94 -8.523 1.713 -16.839 1.00 0.00 C ATOM 1509 C MET A 94 -9.307 1.508 -18.137 1.00 0.00 C ATOM 1510 O MET A 94 -10.034 2.399 -18.574 1.00 0.00 O ATOM 1511 CB MET A 94 -9.490 1.725 -15.654 1.00 0.00 C ATOM 1512 CG MET A 94 -10.692 0.818 -15.918 1.00 0.00 C ATOM 1513 SD MET A 94 -11.343 0.201 -14.375 1.00 0.00 S ATOM 1514 CE MET A 94 -10.299 -1.229 -14.148 1.00 0.00 C ATOM 0 H MET A 94 -8.323 3.773 -17.164 1.00 0.00 H new ATOM 0 HA MET A 94 -7.814 0.892 -16.731 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.972 1.395 -14.754 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.832 2.743 -15.470 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.464 1.371 -16.453 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.396 -0.015 -16.556 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.902 -2.134 -14.216 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.532 -1.246 -14.922 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.825 -1.181 -13.168 1.00 0.00 H new ATOM 1524 N VAL A 95 -9.135 0.328 -18.716 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.818 -0.004 -19.954 1.00 0.00 C ATOM 1526 C VAL A 95 -10.402 -1.414 -19.846 1.00 0.00 C ATOM 1527 O VAL A 95 -9.763 -2.316 -19.307 1.00 0.00 O ATOM 1528 CB VAL A 95 -8.862 0.157 -21.138 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -9.457 -0.451 -22.410 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -8.498 1.628 -21.351 1.00 0.00 C ATOM 0 H VAL A 95 -8.533 -0.409 -18.350 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.648 0.680 -20.128 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.945 -0.385 -20.906 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.758 -0.323 -23.236 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.643 -1.514 -22.253 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.395 0.050 -22.648 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.818 1.715 -22.198 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.403 2.201 -21.552 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.014 2.016 -20.455 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.612 -1.561 -20.367 1.00 0.00 N ATOM 1541 CA ARG A 96 -12.291 -2.845 -20.335 1.00 0.00 C ATOM 1542 C ARG A 96 -12.212 -3.451 -18.932 1.00 0.00 C ATOM 1543 O ARG A 96 -12.030 -4.659 -18.783 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.673 -3.820 -21.339 1.00 0.00 C ATOM 1545 CG ARG A 96 -12.071 -3.457 -22.771 1.00 0.00 C ATOM 1546 CD ARG A 96 -13.492 -3.933 -23.082 1.00 0.00 C ATOM 1547 NE ARG A 96 -14.444 -2.810 -22.939 1.00 0.00 N ATOM 1548 CZ ARG A 96 -15.780 -2.926 -23.099 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -16.332 -4.119 -23.409 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -16.538 -1.856 -22.948 1.00 0.00 N ATOM 0 H ARG A 96 -12.140 -0.811 -20.814 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.334 -2.676 -20.604 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.587 -3.805 -21.245 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.999 -4.835 -21.113 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.007 -2.377 -22.908 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.370 -3.909 -23.473 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.537 -4.332 -24.095 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.769 -4.743 -22.408 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.068 -1.891 -22.705 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.739 -4.941 -23.524 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.342 -4.198 -23.528 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.113 -0.959 -22.714 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.549 -1.926 -23.065 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.355 -2.586 -17.939 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.301 -3.021 -16.554 1.00 0.00 C ATOM 1565 C GLY A 97 -10.904 -3.530 -16.192 1.00 0.00 C ATOM 1566 O GLY A 97 -10.756 -4.366 -15.302 1.00 0.00 O ATOM 0 H GLY A 97 -12.508 -1.586 -18.066 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.571 -2.193 -15.898 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.034 -3.811 -16.389 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.916 -3.006 -16.901 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.536 -3.396 -16.667 1.00 0.00 C ATOM 1572 C VAL A 98 -7.673 -2.142 -16.520 1.00 0.00 C ATOM 1573 O VAL A 98 -7.795 -1.205 -17.306 1.00 0.00 O ATOM 1574 CB VAL A 98 -8.058 -4.324 -17.786 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.560 -4.146 -18.043 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.389 -5.783 -17.467 1.00 0.00 C ATOM 0 H VAL A 98 -10.044 -2.314 -17.639 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.451 -3.959 -15.737 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.590 -4.051 -18.698 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.246 -4.817 -18.843 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.361 -3.115 -18.335 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.005 -4.379 -17.135 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.039 -6.421 -18.278 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.897 -6.073 -16.539 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.468 -5.896 -17.357 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.820 -2.166 -15.506 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.937 -1.042 -15.246 1.00 0.00 C ATOM 1588 C GLN A 99 -4.571 -1.279 -15.895 1.00 0.00 C ATOM 1589 O GLN A 99 -3.852 -2.202 -15.518 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.793 -0.794 -13.744 1.00 0.00 C ATOM 1591 CG GLN A 99 -7.111 -0.300 -13.141 1.00 0.00 C ATOM 1592 CD GLN A 99 -6.987 -0.121 -11.627 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -5.933 0.188 -11.096 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.120 -0.332 -10.963 1.00 0.00 N ATOM 0 H GLN A 99 -6.722 -2.945 -14.855 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.378 -0.149 -15.688 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.484 -1.714 -13.248 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.009 -0.058 -13.567 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.393 0.647 -13.601 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.906 -1.012 -13.363 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.968 -0.588 -11.469 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.141 -0.238 -9.948 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.255 -0.428 -16.861 1.00 0.00 N ATOM 1604 CA GLU A 100 -2.990 -0.533 -17.567 1.00 0.00 C ATOM 1605 C GLU A 100 -2.041 0.582 -17.122 1.00 0.00 C ATOM 1606 O GLU A 100 -2.267 1.752 -17.423 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.201 -0.501 -19.081 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.937 -0.944 -19.821 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.194 -1.060 -21.324 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.949 -0.102 -22.072 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -2.665 -2.197 -21.710 1.00 0.00 O ATOM 0 H GLU A 100 -4.854 0.337 -17.171 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.536 -1.492 -17.318 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.032 -1.154 -19.350 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.474 0.507 -19.392 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.135 -0.228 -19.640 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.601 -1.905 -19.431 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.997 0.178 -16.410 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.013 1.128 -15.921 1.00 0.00 C ATOM 1621 C LEU A 101 1.265 1.006 -16.752 1.00 0.00 C ATOM 1622 O LEU A 101 1.861 -0.067 -16.825 1.00 0.00 O ATOM 1623 CB LEU A 101 0.210 0.943 -14.419 1.00 0.00 C ATOM 1624 CG LEU A 101 0.555 2.207 -13.631 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.581 1.928 -12.127 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.870 2.818 -14.122 1.00 0.00 C ATOM 0 H LEU A 101 -0.812 -0.794 -16.161 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.376 2.149 -16.043 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.691 0.506 -13.989 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.014 0.220 -14.278 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.229 2.943 -13.808 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.829 2.844 -11.591 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.398 1.573 -11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.331 1.167 -11.911 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.092 3.716 -13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.677 2.096 -13.995 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.779 3.078 -15.177 1.00 0.00 H new ATOM 1638 N LEU A 102 1.649 2.120 -17.359 1.00 0.00 N ATOM 1639 CA LEU A 102 2.846 2.150 -18.181 1.00 0.00 C ATOM 1640 C LEU A 102 4.009 2.712 -17.360 1.00 0.00 C ATOM 1641 O LEU A 102 3.909 3.804 -16.803 1.00 0.00 O ATOM 1642 CB LEU A 102 2.584 2.916 -19.480 1.00 0.00 C ATOM 1643 CG LEU A 102 1.330 2.509 -20.257 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.535 2.694 -21.762 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.907 1.080 -19.907 1.00 0.00 C ATOM 0 H LEU A 102 1.152 3.008 -17.297 1.00 0.00 H new ATOM 0 HA LEU A 102 3.126 1.141 -18.483 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.513 3.978 -19.244 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.448 2.792 -20.133 1.00 0.00 H new ATOM 0 HG LEU A 102 0.514 3.168 -19.959 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.630 2.398 -22.292 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.753 3.741 -21.974 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.369 2.075 -22.094 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.014 0.816 -20.473 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.713 0.390 -20.158 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.693 1.015 -18.840 1.00 0.00 H new ATOM 1657 N LEU A 103 5.084 1.939 -17.312 1.00 0.00 N ATOM 1658 CA LEU A 103 6.266 2.347 -16.570 1.00 0.00 C ATOM 1659 C LEU A 103 7.428 2.552 -17.543 1.00 0.00 C ATOM 1660 O LEU A 103 7.719 1.681 -18.361 1.00 0.00 O ATOM 1661 CB LEU A 103 6.568 1.346 -15.453 1.00 0.00 C ATOM 1662 CG LEU A 103 5.668 1.426 -14.219 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.634 0.089 -13.477 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.091 2.578 -13.305 1.00 0.00 C ATOM 0 H LEU A 103 5.162 1.033 -17.774 1.00 0.00 H new ATOM 0 HA LEU A 103 6.094 3.302 -16.073 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.497 0.339 -15.865 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.601 1.488 -15.135 1.00 0.00 H new ATOM 0 HG LEU A 103 4.651 1.635 -14.552 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.987 0.174 -12.604 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.249 -0.686 -14.140 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.642 -0.175 -13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.435 2.612 -12.435 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.119 2.424 -12.978 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.021 3.519 -13.850 1.00 0.00 H new ATOM 1676 N LYS A 104 8.061 3.710 -17.423 1.00 0.00 N ATOM 1677 CA LYS A 104 9.185 4.041 -18.283 1.00 0.00 C ATOM 1678 C LYS A 104 10.436 4.243 -17.425 1.00 0.00 C ATOM 1679 O LYS A 104 10.421 5.023 -16.474 1.00 0.00 O ATOM 1680 CB LYS A 104 8.846 5.242 -19.168 1.00 0.00 C ATOM 1681 CG LYS A 104 9.916 5.450 -20.242 1.00 0.00 C ATOM 1682 CD LYS A 104 9.522 4.761 -21.550 1.00 0.00 C ATOM 1683 CE LYS A 104 9.238 5.789 -22.647 1.00 0.00 C ATOM 1684 NZ LYS A 104 8.218 6.762 -22.195 1.00 0.00 N ATOM 0 H LYS A 104 7.817 4.431 -16.743 1.00 0.00 H new ATOM 0 HA LYS A 104 9.397 3.219 -18.967 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.876 5.088 -19.641 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.762 6.139 -18.554 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.058 6.516 -20.417 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.870 5.055 -19.892 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.323 4.094 -21.870 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.639 4.143 -21.388 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.157 6.313 -22.910 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.892 5.282 -23.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.432 6.783 -22.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.859 6.480 -21.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.645 7.708 -22.130 1.00 0.00 H new ATOM 1697 N LEU A 105 11.488 3.527 -17.791 1.00 0.00 N ATOM 1698 CA LEU A 105 12.744 3.616 -17.067 1.00 0.00 C ATOM 1699 C LEU A 105 13.756 4.402 -17.904 1.00 0.00 C ATOM 1700 O LEU A 105 14.045 4.033 -19.042 1.00 0.00 O ATOM 1701 CB LEU A 105 13.230 2.224 -16.662 1.00 0.00 C ATOM 1702 CG LEU A 105 14.462 2.181 -15.755 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.219 2.966 -14.465 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.888 0.737 -15.477 1.00 0.00 C ATOM 0 H LEU A 105 11.496 2.882 -18.581 1.00 0.00 H new ATOM 0 HA LEU A 105 12.607 4.163 -16.134 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.413 1.709 -16.157 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.451 1.660 -17.568 1.00 0.00 H new ATOM 0 HG LEU A 105 15.288 2.665 -16.276 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.109 2.920 -13.838 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.999 4.006 -14.708 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.375 2.533 -13.929 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.765 0.735 -14.830 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.073 0.206 -14.985 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.129 0.241 -16.417 1.00 0.00 H new ATOM 1716 N LEU A 106 14.265 5.471 -17.310 1.00 0.00 N ATOM 1717 CA LEU A 106 15.238 6.311 -17.987 1.00 0.00 C ATOM 1718 C LEU A 106 16.635 5.715 -17.802 1.00 0.00 C ATOM 1719 O LEU A 106 16.864 4.935 -16.879 1.00 0.00 O ATOM 1720 CB LEU A 106 15.120 7.760 -17.510 1.00 0.00 C ATOM 1721 CG LEU A 106 13.933 8.552 -18.061 1.00 0.00 C ATOM 1722 CD1 LEU A 106 14.038 8.713 -19.578 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.606 7.914 -17.644 1.00 0.00 C ATOM 0 H LEU A 106 14.022 5.775 -16.367 1.00 0.00 H new ATOM 0 HA LEU A 106 15.040 6.336 -19.059 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.058 7.760 -16.422 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.037 8.285 -17.776 1.00 0.00 H new ATOM 0 HG LEU A 106 13.960 9.552 -17.628 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.182 9.280 -19.944 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.957 9.245 -19.825 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.050 7.730 -20.048 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.779 8.497 -18.049 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.555 6.896 -18.029 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.538 7.894 -16.556 1.00 0.00 H new