USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 873 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 38 CYS SG : rot 159:sc= 0.196 USER MOD Set 1.2: A 79 CYS SG : rot 13:sc= 0.382 USER MOD Set 2.1: A 32 HIS : no HD1:sc= -0.161 K(o=-0.25,f=-8.9!) USER MOD Set 2.2: A 64 THR OG1 : rot -40:sc= -0.0935 USER MOD Set 3.1: A 7 HIS : no HD1:sc= -0.909 K(o=-4.4,f=-3.1) USER MOD Set 3.2: A 9 HIS : no HD1:sc= -3.53 K(o=-4.4,f=-6.3!) USER MOD Single : A 4 MET CE :methyl 158:sc= -0.0885 (180deg=-0.637) USER MOD Single : A 10 ASN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.065 K(o=-0.065,f=-1.5!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -62:sc= 1.1 USER MOD Single : A 37 THR OG1 : rot 178:sc= 0.206 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 143:sc= -7.69! (180deg=-9.43!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -41:sc= 0.843 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0843) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0893 K(o=-0.089,f=-1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -5.78! C(o=-5.8!,f=-10!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-2.9!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.34!) USER MOD Single : A 106 MET CE :methyl 154:sc= 0 (180deg=-0.00336) USER MOD Single : A 109 LYS NZ :NH3+ -146:sc= -0.216 (180deg=-1.15!) USER MOD Single : A 110 GLN : amide:sc=-0.00113 X(o=-0.0011,f=0) USER MOD Single : A 112 MET CE :methyl 174:sc= -7.69! (180deg=-8.08!) USER MOD Single : A 118 THR OG1 : rot 80:sc= 0.104 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -8.211 9.452 -10.568 1.00 0.00 N ATOM 36 CA MET A 4 -8.249 7.996 -10.470 1.00 0.00 C ATOM 37 C MET A 4 -7.652 7.522 -9.147 1.00 0.00 C ATOM 38 O MET A 4 -8.380 7.196 -8.209 1.00 0.00 O ATOM 39 CB MET A 4 -7.497 7.362 -11.643 1.00 0.00 C ATOM 40 CG MET A 4 -8.390 7.022 -12.824 1.00 0.00 C ATOM 41 SD MET A 4 -9.179 5.409 -12.657 1.00 0.00 S ATOM 42 CE MET A 4 -10.830 5.890 -12.158 1.00 0.00 C ATOM 0 HA MET A 4 -9.292 7.683 -10.508 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.715 8.045 -11.974 1.00 0.00 H new ATOM 0 HB3 MET A 4 -7.002 6.454 -11.299 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.158 7.789 -12.926 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.798 7.040 -13.739 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.528 5.085 -12.387 1.00 0.00 H new ATOM 0 HE2 MET A 4 -10.843 6.088 -11.086 1.00 0.00 H new ATOM 0 HE3 MET A 4 -11.125 6.791 -12.697 1.00 0.00 H new ATOM 52 N LEU A 5 -6.323 7.485 -9.078 1.00 0.00 N ATOM 53 CA LEU A 5 -5.626 7.049 -7.876 1.00 0.00 C ATOM 54 C LEU A 5 -6.157 7.769 -6.635 1.00 0.00 C ATOM 55 O LEU A 5 -5.878 8.950 -6.430 1.00 0.00 O ATOM 56 CB LEU A 5 -4.123 7.300 -8.018 1.00 0.00 C ATOM 57 CG LEU A 5 -3.344 6.182 -8.711 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.879 5.949 -10.115 1.00 0.00 C ATOM 59 CD2 LEU A 5 -1.859 6.516 -8.752 1.00 0.00 C ATOM 0 H LEU A 5 -5.707 7.754 -9.846 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.805 5.981 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.975 8.225 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.700 7.455 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.475 5.264 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.312 5.150 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.930 5.666 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.779 6.864 -10.699 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.318 5.710 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.710 7.445 -9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.484 6.632 -7.735 1.00 0.00 H new ATOM 71 N PRO A 6 -6.931 7.067 -5.787 1.00 0.00 N ATOM 72 CA PRO A 6 -7.495 7.654 -4.568 1.00 0.00 C ATOM 73 C PRO A 6 -6.440 7.872 -3.488 1.00 0.00 C ATOM 74 O PRO A 6 -5.656 6.974 -3.182 1.00 0.00 O ATOM 75 CB PRO A 6 -8.516 6.610 -4.114 1.00 0.00 C ATOM 76 CG PRO A 6 -7.996 5.321 -4.647 1.00 0.00 C ATOM 77 CD PRO A 6 -7.318 5.651 -5.949 1.00 0.00 C ATOM 0 HA PRO A 6 -7.923 8.640 -4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.601 6.585 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.509 6.830 -4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.296 4.864 -3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.806 4.607 -4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.450 5.015 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.989 5.513 -6.797 1.00 0.00 H new ATOM 85 N HIS A 7 -6.427 9.071 -2.913 1.00 0.00 N ATOM 86 CA HIS A 7 -5.468 9.406 -1.867 1.00 0.00 C ATOM 87 C HIS A 7 -6.163 9.544 -0.516 1.00 0.00 C ATOM 88 O HIS A 7 -7.388 9.459 -0.426 1.00 0.00 O ATOM 89 CB HIS A 7 -4.739 10.706 -2.212 1.00 0.00 C ATOM 90 CG HIS A 7 -5.649 11.885 -2.346 1.00 0.00 C ATOM 91 ND1 HIS A 7 -5.971 12.455 -3.561 1.00 0.00 N ATOM 92 CD2 HIS A 7 -6.311 12.606 -1.410 1.00 0.00 C ATOM 93 CE1 HIS A 7 -6.789 13.474 -3.365 1.00 0.00 C ATOM 94 NE2 HIS A 7 -7.012 13.586 -2.070 1.00 0.00 N ATOM 0 H HIS A 7 -7.069 9.826 -3.154 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.742 8.596 -1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.000 10.914 -1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.194 10.570 -3.146 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.291 12.441 -0.343 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.204 14.108 -4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.608 14.287 -1.630 1.00 0.00 H new ATOM 103 N LEU A 8 -5.373 9.755 0.531 1.00 0.00 N ATOM 104 CA LEU A 8 -5.913 9.904 1.878 1.00 0.00 C ATOM 105 C LEU A 8 -5.893 11.365 2.313 1.00 0.00 C ATOM 106 O LEU A 8 -6.917 12.048 2.281 1.00 0.00 O ATOM 107 CB LEU A 8 -5.116 9.049 2.867 1.00 0.00 C ATOM 108 CG LEU A 8 -5.345 7.541 2.749 1.00 0.00 C ATOM 109 CD1 LEU A 8 -4.306 6.780 3.558 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.750 7.179 3.205 1.00 0.00 C ATOM 0 H LEU A 8 -4.357 9.827 0.473 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.948 9.563 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.054 9.252 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.369 9.361 3.880 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.240 7.256 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.484 5.709 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.310 7.017 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.379 7.068 4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.896 6.103 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.883 7.477 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.479 7.698 2.583 1.00 0.00 H new ATOM 122 N HIS A 9 -4.723 11.834 2.719 1.00 0.00 N ATOM 123 CA HIS A 9 -4.560 13.214 3.162 1.00 0.00 C ATOM 124 C HIS A 9 -5.436 13.504 4.377 1.00 0.00 C ATOM 125 O HIS A 9 -5.930 14.620 4.547 1.00 0.00 O ATOM 126 CB HIS A 9 -4.907 14.180 2.027 1.00 0.00 C ATOM 127 CG HIS A 9 -3.955 14.115 0.874 1.00 0.00 C ATOM 128 ND1 HIS A 9 -3.733 12.965 0.144 1.00 0.00 N ATOM 129 CD2 HIS A 9 -3.164 15.066 0.322 1.00 0.00 C ATOM 130 CE1 HIS A 9 -2.848 13.211 -0.804 1.00 0.00 C ATOM 131 NE2 HIS A 9 -2.487 14.478 -0.718 1.00 0.00 N ATOM 0 H HIS A 9 -3.868 11.278 2.752 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.517 13.357 3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.913 13.961 1.670 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.922 15.197 2.418 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.081 16.095 0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.482 12.497 -1.527 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -1.814 14.945 -1.326 1.00 0.00 H new ATOM 140 N ASN A 10 -5.626 12.494 5.219 1.00 0.00 N ATOM 141 CA ASN A 10 -6.442 12.642 6.418 1.00 0.00 C ATOM 142 C ASN A 10 -6.402 11.374 7.266 1.00 0.00 C ATOM 143 O ASN A 10 -6.549 10.267 6.749 1.00 0.00 O ATOM 144 CB ASN A 10 -7.887 12.973 6.039 1.00 0.00 C ATOM 145 CG ASN A 10 -8.467 14.086 6.889 1.00 0.00 C ATOM 146 OD1 ASN A 10 -8.929 15.103 6.369 1.00 0.00 O ATOM 147 ND2 ASN A 10 -8.445 13.901 8.203 1.00 0.00 N ATOM 0 H ASN A 10 -5.226 11.564 5.093 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.032 13.462 7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.927 13.263 4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.502 12.079 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.820 14.617 8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.053 13.043 8.591 1.00 0.00 H new ATOM 154 N GLY A 11 -6.201 11.544 8.567 1.00 0.00 N ATOM 155 CA GLY A 11 -6.145 10.406 9.465 1.00 0.00 C ATOM 156 C GLY A 11 -7.431 9.604 9.466 1.00 0.00 C ATOM 157 O GLY A 11 -7.404 8.374 9.427 1.00 0.00 O ATOM 0 H GLY A 11 -6.076 12.451 9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.317 9.759 9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.938 10.755 10.476 1.00 0.00 H new ATOM 161 N TRP A 12 -8.561 10.302 9.509 1.00 0.00 N ATOM 162 CA TRP A 12 -9.865 9.647 9.515 1.00 0.00 C ATOM 163 C TRP A 12 -10.051 8.800 8.260 1.00 0.00 C ATOM 164 O TRP A 12 -10.683 7.744 8.300 1.00 0.00 O ATOM 165 CB TRP A 12 -10.981 10.688 9.612 1.00 0.00 C ATOM 166 CG TRP A 12 -12.303 10.105 10.010 1.00 0.00 C ATOM 167 CD1 TRP A 12 -13.433 10.040 9.246 1.00 0.00 C ATOM 168 CD2 TRP A 12 -12.633 9.506 11.268 1.00 0.00 C ATOM 169 NE1 TRP A 12 -14.445 9.437 9.952 1.00 0.00 N ATOM 170 CE2 TRP A 12 -13.979 9.100 11.196 1.00 0.00 C ATOM 171 CE3 TRP A 12 -11.922 9.273 12.449 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -14.626 8.474 12.259 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -12.566 8.651 13.502 1.00 0.00 C ATOM 174 CH2 TRP A 12 -13.906 8.258 13.401 1.00 0.00 C ATOM 0 H TRP A 12 -8.601 11.321 9.540 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.913 8.992 10.385 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.695 11.450 10.337 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.087 11.187 8.649 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.518 10.409 8.235 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -15.390 9.268 9.607 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.888 9.574 12.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -15.660 8.170 12.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.026 8.465 14.419 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.380 7.774 14.242 1.00 0.00 H new ATOM 185 N GLN A 13 -9.499 9.271 7.146 1.00 0.00 N ATOM 186 CA GLN A 13 -9.603 8.556 5.880 1.00 0.00 C ATOM 187 C GLN A 13 -8.647 7.370 5.844 1.00 0.00 C ATOM 188 O GLN A 13 -8.932 6.348 5.220 1.00 0.00 O ATOM 189 CB GLN A 13 -9.308 9.500 4.712 1.00 0.00 C ATOM 190 CG GLN A 13 -10.475 10.404 4.350 1.00 0.00 C ATOM 191 CD GLN A 13 -11.370 9.800 3.286 1.00 0.00 C ATOM 192 OE1 GLN A 13 -11.230 8.630 2.930 1.00 0.00 O ATOM 193 NE2 GLN A 13 -12.300 10.598 2.772 1.00 0.00 N ATOM 0 H GLN A 13 -8.975 10.145 7.095 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.622 8.180 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.446 10.117 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.033 8.909 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.065 10.606 5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.092 11.362 3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.381 11.562 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.933 10.247 2.053 1.00 0.00 H new ATOM 202 N VAL A 14 -7.511 7.512 6.520 1.00 0.00 N ATOM 203 CA VAL A 14 -6.512 6.452 6.566 1.00 0.00 C ATOM 204 C VAL A 14 -6.968 5.306 7.463 1.00 0.00 C ATOM 205 O VAL A 14 -7.032 4.155 7.031 1.00 0.00 O ATOM 206 CB VAL A 14 -5.156 6.979 7.075 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.086 5.904 6.962 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.747 8.232 6.310 1.00 0.00 C ATOM 0 H VAL A 14 -7.260 8.351 7.043 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.392 6.086 5.546 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.263 7.242 8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.136 6.296 7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.375 5.039 7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.979 5.605 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.787 8.589 6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.659 7.998 5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.502 9.006 6.450 1.00 0.00 H new ATOM 218 N ASP A 15 -7.283 5.629 8.713 1.00 0.00 N ATOM 219 CA ASP A 15 -7.733 4.626 9.672 1.00 0.00 C ATOM 220 C ASP A 15 -8.969 3.894 9.159 1.00 0.00 C ATOM 221 O ASP A 15 -9.186 2.723 9.476 1.00 0.00 O ATOM 222 CB ASP A 15 -8.038 5.281 11.021 1.00 0.00 C ATOM 223 CG ASP A 15 -8.168 4.267 12.140 1.00 0.00 C ATOM 224 OD1 ASP A 15 -8.473 3.092 11.844 1.00 0.00 O ATOM 225 OD2 ASP A 15 -7.965 4.647 13.312 1.00 0.00 O ATOM 0 H ASP A 15 -7.235 6.577 9.086 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.931 3.899 9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.246 5.988 11.266 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.963 5.853 10.943 1.00 0.00 H new ATOM 230 N GLN A 16 -9.778 4.589 8.365 1.00 0.00 N ATOM 231 CA GLN A 16 -10.991 4.004 7.810 1.00 0.00 C ATOM 232 C GLN A 16 -10.697 3.276 6.502 1.00 0.00 C ATOM 233 O GLN A 16 -11.281 2.231 6.217 1.00 0.00 O ATOM 234 CB GLN A 16 -12.045 5.088 7.576 1.00 0.00 C ATOM 235 CG GLN A 16 -12.817 5.467 8.830 1.00 0.00 C ATOM 236 CD GLN A 16 -14.159 4.767 8.921 1.00 0.00 C ATOM 237 OE1 GLN A 16 -14.320 3.807 9.675 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.129 5.245 8.151 1.00 0.00 N ATOM 0 H GLN A 16 -9.614 5.558 8.092 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.376 3.281 8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.557 5.977 7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.747 4.742 6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.221 5.218 9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.972 6.546 8.845 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.950 6.043 7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.053 4.814 8.169 1.00 0.00 H new ATOM 247 N ALA A 17 -9.787 3.835 5.710 1.00 0.00 N ATOM 248 CA ALA A 17 -9.416 3.239 4.432 1.00 0.00 C ATOM 249 C ALA A 17 -8.869 1.828 4.620 1.00 0.00 C ATOM 250 O ALA A 17 -9.095 0.948 3.790 1.00 0.00 O ATOM 251 CB ALA A 17 -8.393 4.112 3.721 1.00 0.00 C ATOM 0 H ALA A 17 -9.293 4.700 5.931 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.313 3.173 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.125 3.656 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.818 5.100 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.502 4.207 4.341 1.00 0.00 H new ATOM 257 N ILE A 18 -8.148 1.618 5.717 1.00 0.00 N ATOM 258 CA ILE A 18 -7.569 0.314 6.013 1.00 0.00 C ATOM 259 C ILE A 18 -8.657 -0.721 6.284 1.00 0.00 C ATOM 260 O ILE A 18 -8.837 -1.663 5.512 1.00 0.00 O ATOM 261 CB ILE A 18 -6.624 0.381 7.229 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.594 1.497 7.042 1.00 0.00 C ATOM 263 CG2 ILE A 18 -5.929 -0.956 7.438 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.163 2.145 8.339 1.00 0.00 C ATOM 0 H ILE A 18 -7.951 2.335 6.415 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.997 0.015 5.135 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.217 0.602 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.717 1.090 6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.012 2.260 6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.266 -0.890 8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.676 -1.731 7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.347 -1.206 6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.432 2.926 8.130 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.031 2.582 8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.715 1.394 8.990 1.00 0.00 H new ATOM 276 N LEU A 19 -9.378 -0.539 7.384 1.00 0.00 N ATOM 277 CA LEU A 19 -10.448 -1.456 7.759 1.00 0.00 C ATOM 278 C LEU A 19 -11.517 -1.534 6.672 1.00 0.00 C ATOM 279 O LEU A 19 -12.282 -2.497 6.609 1.00 0.00 O ATOM 280 CB LEU A 19 -11.082 -1.018 9.081 1.00 0.00 C ATOM 281 CG LEU A 19 -11.903 -2.095 9.793 1.00 0.00 C ATOM 282 CD1 LEU A 19 -11.844 -1.901 11.300 1.00 0.00 C ATOM 283 CD2 LEU A 19 -13.345 -2.074 9.307 1.00 0.00 C ATOM 0 H LEU A 19 -9.241 0.236 8.033 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.011 -2.447 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.291 -0.682 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.725 -0.159 8.891 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.474 -3.069 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.434 -2.676 11.790 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.809 -1.966 11.635 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.247 -0.921 11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.914 -2.846 9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.785 -1.099 9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.370 -2.262 8.234 1.00 0.00 H new ATOM 295 N SER A 20 -11.568 -0.516 5.817 1.00 0.00 N ATOM 296 CA SER A 20 -12.547 -0.474 4.736 1.00 0.00 C ATOM 297 C SER A 20 -12.051 -1.251 3.520 1.00 0.00 C ATOM 298 O SER A 20 -11.956 -0.708 2.419 1.00 0.00 O ATOM 299 CB SER A 20 -12.846 0.975 4.348 1.00 0.00 C ATOM 300 OG SER A 20 -13.634 1.036 3.172 1.00 0.00 O ATOM 0 H SER A 20 -10.943 0.290 5.852 1.00 0.00 H new ATOM 0 HA SER A 20 -13.465 -0.943 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.368 1.473 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.911 1.513 4.191 1.00 0.00 H new ATOM 0 HG SER A 20 -13.139 0.637 2.426 1.00 0.00 H new ATOM 306 N GLU A 21 -11.740 -2.527 3.725 1.00 0.00 N ATOM 307 CA GLU A 21 -11.258 -3.381 2.644 1.00 0.00 C ATOM 308 C GLU A 21 -12.249 -3.402 1.485 1.00 0.00 C ATOM 309 O GLU A 21 -13.425 -3.720 1.666 1.00 0.00 O ATOM 310 CB GLU A 21 -11.022 -4.804 3.155 1.00 0.00 C ATOM 311 CG GLU A 21 -12.195 -5.371 3.937 1.00 0.00 C ATOM 312 CD GLU A 21 -12.967 -6.416 3.155 1.00 0.00 C ATOM 313 OE1 GLU A 21 -12.339 -7.382 2.674 1.00 0.00 O ATOM 314 OE2 GLU A 21 -14.200 -6.267 3.022 1.00 0.00 O ATOM 0 H GLU A 21 -11.813 -2.993 4.629 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.314 -2.971 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.812 -5.456 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.136 -4.811 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.829 -5.813 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.868 -4.560 4.215 1.00 0.00 H new ATOM 321 N GLU A 22 -11.768 -3.061 0.294 1.00 0.00 N ATOM 322 CA GLU A 22 -12.613 -3.039 -0.894 1.00 0.00 C ATOM 323 C GLU A 22 -13.257 -4.401 -1.134 1.00 0.00 C ATOM 324 O GLU A 22 -14.369 -4.488 -1.652 1.00 0.00 O ATOM 325 CB GLU A 22 -11.796 -2.626 -2.120 1.00 0.00 C ATOM 326 CG GLU A 22 -12.624 -1.962 -3.207 1.00 0.00 C ATOM 327 CD GLU A 22 -13.694 -2.880 -3.768 1.00 0.00 C ATOM 328 OE1 GLU A 22 -13.419 -4.087 -3.920 1.00 0.00 O ATOM 329 OE2 GLU A 22 -14.807 -2.389 -4.052 1.00 0.00 O ATOM 0 H GLU A 22 -10.797 -2.796 0.126 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.405 -2.308 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.007 -1.942 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.307 -3.508 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.095 -1.065 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.966 -1.641 -4.015 1.00 0.00 H new ATOM 336 N ASP A 23 -12.552 -5.462 -0.752 1.00 0.00 N ATOM 337 CA ASP A 23 -13.063 -6.818 -0.928 1.00 0.00 C ATOM 338 C ASP A 23 -12.077 -7.856 -0.403 1.00 0.00 C ATOM 339 O ASP A 23 -12.477 -8.890 0.130 1.00 0.00 O ATOM 340 CB ASP A 23 -13.362 -7.086 -2.404 1.00 0.00 C ATOM 341 CG ASP A 23 -14.578 -7.971 -2.596 1.00 0.00 C ATOM 342 OD1 ASP A 23 -15.627 -7.680 -1.984 1.00 0.00 O ATOM 343 OD2 ASP A 23 -14.481 -8.957 -3.357 1.00 0.00 O ATOM 0 H ASP A 23 -11.629 -5.410 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.985 -6.902 -0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.521 -6.138 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.496 -7.558 -2.868 1.00 0.00 H new ATOM 348 N ARG A 24 -10.787 -7.579 -0.560 1.00 0.00 N ATOM 349 CA ARG A 24 -9.751 -8.499 -0.104 1.00 0.00 C ATOM 350 C ARG A 24 -8.667 -7.769 0.684 1.00 0.00 C ATOM 351 O ARG A 24 -8.678 -7.762 1.914 1.00 0.00 O ATOM 352 CB ARG A 24 -9.134 -9.237 -1.294 1.00 0.00 C ATOM 353 CG ARG A 24 -10.069 -10.252 -1.931 1.00 0.00 C ATOM 354 CD ARG A 24 -9.298 -11.386 -2.588 1.00 0.00 C ATOM 355 NE ARG A 24 -9.983 -11.901 -3.770 1.00 0.00 N ATOM 356 CZ ARG A 24 -11.085 -12.647 -3.722 1.00 0.00 C ATOM 357 NH1 ARG A 24 -11.627 -12.968 -2.555 1.00 0.00 N ATOM 358 NH2 ARG A 24 -11.645 -13.074 -4.846 1.00 0.00 N ATOM 0 H ARG A 24 -10.434 -6.728 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.218 -9.225 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.835 -8.508 -2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.228 -9.746 -0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.738 -10.658 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.693 -9.756 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.305 -11.034 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.159 -12.194 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.595 -11.676 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.200 -12.643 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.471 -13.540 -2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.232 -12.831 -5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.489 -13.645 -4.810 1.00 0.00 H new ATOM 372 N VAL A 25 -7.731 -7.159 -0.033 1.00 0.00 N ATOM 373 CA VAL A 25 -6.637 -6.432 0.601 1.00 0.00 C ATOM 374 C VAL A 25 -6.617 -4.970 0.166 1.00 0.00 C ATOM 375 O VAL A 25 -7.562 -4.475 -0.451 1.00 0.00 O ATOM 376 CB VAL A 25 -5.270 -7.094 0.300 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.637 -6.533 -0.968 1.00 0.00 C ATOM 378 CG2 VAL A 25 -4.328 -6.953 1.488 1.00 0.00 C ATOM 0 H VAL A 25 -7.707 -7.153 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.809 -6.470 1.677 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.451 -8.155 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.680 -7.023 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.298 -6.713 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.480 -5.461 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.374 -7.425 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.167 -5.896 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.768 -7.436 2.360 1.00 0.00 H new ATOM 388 N VAL A 26 -5.527 -4.291 0.488 1.00 0.00 N ATOM 389 CA VAL A 26 -5.368 -2.899 0.137 1.00 0.00 C ATOM 390 C VAL A 26 -3.925 -2.436 0.311 1.00 0.00 C ATOM 391 O VAL A 26 -3.227 -2.863 1.228 1.00 0.00 O ATOM 392 CB VAL A 26 -6.300 -1.997 0.968 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.978 -2.107 2.451 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.210 -0.552 0.498 1.00 0.00 C ATOM 0 H VAL A 26 -4.737 -4.690 0.996 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.639 -2.811 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.325 -2.338 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.649 -1.461 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.108 -3.139 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.947 -1.799 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.876 0.068 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.186 -0.197 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.504 -0.491 -0.550 1.00 0.00 H new ATOM 404 N VAL A 27 -3.493 -1.557 -0.585 1.00 0.00 N ATOM 405 CA VAL A 27 -2.138 -1.022 -0.550 1.00 0.00 C ATOM 406 C VAL A 27 -2.134 0.421 -0.055 1.00 0.00 C ATOM 407 O VAL A 27 -3.148 1.115 -0.126 1.00 0.00 O ATOM 408 CB VAL A 27 -1.480 -1.079 -1.943 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.068 -0.514 -1.899 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.474 -2.505 -2.472 1.00 0.00 C ATOM 0 H VAL A 27 -4.066 -1.198 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.565 -1.642 0.140 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.068 -0.463 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.375 -0.565 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.102 0.524 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.535 -1.096 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.006 -2.526 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.913 -3.144 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.499 -2.869 -2.550 1.00 0.00 H new ATOM 420 N ILE A 28 -0.985 0.865 0.443 1.00 0.00 N ATOM 421 CA ILE A 28 -0.849 2.226 0.947 1.00 0.00 C ATOM 422 C ILE A 28 0.579 2.735 0.774 1.00 0.00 C ATOM 423 O ILE A 28 1.505 2.253 1.428 1.00 0.00 O ATOM 424 CB ILE A 28 -1.247 2.315 2.435 1.00 0.00 C ATOM 425 CG1 ILE A 28 -1.218 3.769 2.908 1.00 0.00 C ATOM 426 CG2 ILE A 28 -0.328 1.455 3.288 1.00 0.00 C ATOM 427 CD1 ILE A 28 -2.222 4.070 3.999 1.00 0.00 C ATOM 0 H ILE A 28 -0.136 0.303 0.508 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.524 2.852 0.364 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.264 1.937 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.218 4.005 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.411 4.423 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.625 1.531 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.399 0.416 2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.700 1.800 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.145 5.119 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.229 3.867 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.017 3.442 4.866 1.00 0.00 H new ATOM 439 N ARG A 29 0.751 3.710 -0.112 1.00 0.00 N ATOM 440 CA ARG A 29 2.067 4.282 -0.372 1.00 0.00 C ATOM 441 C ARG A 29 2.322 5.491 0.525 1.00 0.00 C ATOM 442 O ARG A 29 1.521 6.424 0.566 1.00 0.00 O ATOM 443 CB ARG A 29 2.188 4.688 -1.841 1.00 0.00 C ATOM 444 CG ARG A 29 3.575 5.179 -2.224 1.00 0.00 C ATOM 445 CD ARG A 29 3.541 6.003 -3.502 1.00 0.00 C ATOM 446 NE ARG A 29 3.168 7.391 -3.247 1.00 0.00 N ATOM 447 CZ ARG A 29 2.724 8.224 -4.187 1.00 0.00 C ATOM 448 NH1 ARG A 29 2.599 7.812 -5.443 1.00 0.00 N ATOM 449 NH2 ARG A 29 2.405 9.471 -3.870 1.00 0.00 N ATOM 0 H ARG A 29 -0.004 4.120 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 29 2.816 3.522 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.928 3.835 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.462 5.473 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.986 5.780 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.240 4.326 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.520 5.972 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.832 5.559 -4.201 1.00 0.00 H new ATOM 0 HE ARG A 29 3.252 7.744 -2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.843 6.854 -5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.259 8.454 -6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.500 9.792 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.065 10.109 -4.589 1.00 0.00 H new ATOM 463 N PHE A 30 3.440 5.464 1.241 1.00 0.00 N ATOM 464 CA PHE A 30 3.800 6.557 2.137 1.00 0.00 C ATOM 465 C PHE A 30 4.920 7.403 1.540 1.00 0.00 C ATOM 466 O PHE A 30 6.056 6.947 1.415 1.00 0.00 O ATOM 467 CB PHE A 30 4.230 6.008 3.499 1.00 0.00 C ATOM 468 CG PHE A 30 3.081 5.542 4.347 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.373 6.439 5.131 1.00 0.00 C ATOM 470 CD2 PHE A 30 2.710 4.207 4.362 1.00 0.00 C ATOM 471 CE1 PHE A 30 1.315 6.014 5.913 1.00 0.00 C ATOM 472 CE2 PHE A 30 1.654 3.775 5.143 1.00 0.00 C ATOM 473 CZ PHE A 30 0.956 4.680 5.919 1.00 0.00 C ATOM 0 H PHE A 30 4.113 4.698 1.219 1.00 0.00 H new ATOM 0 HA PHE A 30 2.922 7.189 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.919 5.177 3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.778 6.781 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.651 7.483 5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.252 3.496 3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.770 6.724 6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.375 2.732 5.146 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.131 4.345 6.530 1.00 0.00 H new ATOM 483 N GLY A 31 4.591 8.638 1.175 1.00 0.00 N ATOM 484 CA GLY A 31 5.581 9.529 0.597 1.00 0.00 C ATOM 485 C GLY A 31 4.979 10.842 0.135 1.00 0.00 C ATOM 486 O GLY A 31 3.760 10.971 0.031 1.00 0.00 O ATOM 0 H GLY A 31 3.657 9.038 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.360 9.729 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.061 9.035 -0.248 1.00 0.00 H new ATOM 490 N HIS A 32 5.837 11.818 -0.141 1.00 0.00 N ATOM 491 CA HIS A 32 5.384 13.128 -0.594 1.00 0.00 C ATOM 492 C HIS A 32 5.154 13.133 -2.102 1.00 0.00 C ATOM 493 O HIS A 32 5.988 12.651 -2.868 1.00 0.00 O ATOM 494 CB HIS A 32 6.406 14.202 -0.219 1.00 0.00 C ATOM 495 CG HIS A 32 6.858 14.128 1.207 1.00 0.00 C ATOM 496 ND1 HIS A 32 8.167 14.326 1.594 1.00 0.00 N ATOM 497 CD2 HIS A 32 6.166 13.873 2.343 1.00 0.00 C ATOM 498 CE1 HIS A 32 8.261 14.198 2.905 1.00 0.00 C ATOM 499 NE2 HIS A 32 7.062 13.924 3.384 1.00 0.00 N ATOM 0 H HIS A 32 6.850 11.727 -0.059 1.00 0.00 H new ATOM 0 HA HIS A 32 4.438 13.348 -0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.274 14.109 -0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.972 15.185 -0.403 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.108 13.668 2.417 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.165 14.300 3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.837 13.774 4.368 1.00 0.00 H new ATOM 508 N ASP A 33 4.018 13.681 -2.520 1.00 0.00 N ATOM 509 CA ASP A 33 3.678 13.749 -3.936 1.00 0.00 C ATOM 510 C ASP A 33 4.644 14.663 -4.684 1.00 0.00 C ATOM 511 O ASP A 33 4.321 15.813 -4.983 1.00 0.00 O ATOM 512 CB ASP A 33 2.243 14.248 -4.115 1.00 0.00 C ATOM 513 CG ASP A 33 1.217 13.239 -3.638 1.00 0.00 C ATOM 514 OD1 ASP A 33 1.281 12.073 -4.080 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.348 13.615 -2.823 1.00 0.00 O ATOM 0 H ASP A 33 3.317 14.084 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 33 3.760 12.745 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.114 15.181 -3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.067 14.471 -5.167 1.00 0.00 H new ATOM 520 N TRP A 34 5.830 14.144 -4.984 1.00 0.00 N ATOM 521 CA TRP A 34 6.843 14.913 -5.697 1.00 0.00 C ATOM 522 C TRP A 34 8.085 14.066 -5.957 1.00 0.00 C ATOM 523 O TRP A 34 8.692 14.149 -7.025 1.00 0.00 O ATOM 524 CB TRP A 34 7.223 16.162 -4.899 1.00 0.00 C ATOM 525 CG TRP A 34 7.493 17.358 -5.760 1.00 0.00 C ATOM 526 CD1 TRP A 34 6.580 18.078 -6.474 1.00 0.00 C ATOM 527 CD2 TRP A 34 8.765 17.971 -6.000 1.00 0.00 C ATOM 528 NE1 TRP A 34 7.205 19.102 -7.142 1.00 0.00 N ATOM 529 CE2 TRP A 34 8.547 19.058 -6.867 1.00 0.00 C ATOM 530 CE3 TRP A 34 10.067 17.708 -5.564 1.00 0.00 C ATOM 531 CZ2 TRP A 34 9.582 19.880 -7.306 1.00 0.00 C ATOM 532 CZ3 TRP A 34 11.094 18.525 -6.001 1.00 0.00 C ATOM 533 CH2 TRP A 34 10.845 19.599 -6.864 1.00 0.00 C ATOM 0 H TRP A 34 6.113 13.194 -4.744 1.00 0.00 H new ATOM 0 HA TRP A 34 6.423 15.217 -6.656 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.418 16.399 -4.203 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.108 15.947 -4.301 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.520 17.872 -6.509 1.00 0.00 H new ATOM 0 HE1 TRP A 34 6.745 19.784 -7.745 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.267 16.882 -4.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.394 20.709 -7.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.104 18.331 -5.671 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.668 20.219 -7.188 1.00 0.00 H new ATOM 544 N ASP A 35 8.458 13.252 -4.973 1.00 0.00 N ATOM 545 CA ASP A 35 9.628 12.390 -5.095 1.00 0.00 C ATOM 546 C ASP A 35 9.494 11.455 -6.295 1.00 0.00 C ATOM 547 O ASP A 35 8.401 11.272 -6.830 1.00 0.00 O ATOM 548 CB ASP A 35 9.820 11.574 -3.816 1.00 0.00 C ATOM 549 CG ASP A 35 10.754 12.250 -2.832 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.503 13.423 -2.487 1.00 0.00 O ATOM 551 OD2 ASP A 35 11.738 11.607 -2.409 1.00 0.00 O ATOM 0 H ASP A 35 7.966 13.172 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 35 10.501 13.024 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.852 11.414 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.216 10.591 -4.072 1.00 0.00 H new ATOM 556 N PRO A 36 10.610 10.849 -6.735 1.00 0.00 N ATOM 557 CA PRO A 36 10.611 9.928 -7.877 1.00 0.00 C ATOM 558 C PRO A 36 9.831 8.650 -7.590 1.00 0.00 C ATOM 559 O PRO A 36 8.993 8.230 -8.388 1.00 0.00 O ATOM 560 CB PRO A 36 12.096 9.614 -8.086 1.00 0.00 C ATOM 561 CG PRO A 36 12.733 9.880 -6.767 1.00 0.00 C ATOM 562 CD PRO A 36 11.955 11.011 -6.154 1.00 0.00 C ATOM 0 HA PRO A 36 10.130 10.366 -8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.241 8.578 -8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.527 10.241 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.701 8.995 -6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.783 10.148 -6.887 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.935 10.943 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.388 11.980 -6.404 1.00 0.00 H new ATOM 570 N THR A 37 10.113 8.034 -6.446 1.00 0.00 N ATOM 571 CA THR A 37 9.443 6.806 -6.052 1.00 0.00 C ATOM 572 C THR A 37 7.931 6.990 -6.047 1.00 0.00 C ATOM 573 O THR A 37 7.178 6.053 -6.319 1.00 0.00 O ATOM 574 CB THR A 37 9.920 6.362 -4.668 1.00 0.00 C ATOM 575 OG1 THR A 37 11.333 6.275 -4.628 1.00 0.00 O ATOM 576 CG2 THR A 37 9.365 5.018 -4.247 1.00 0.00 C ATOM 0 H THR A 37 10.804 8.369 -5.775 1.00 0.00 H new ATOM 0 HA THR A 37 9.694 6.034 -6.780 1.00 0.00 H new ATOM 0 HB THR A 37 9.552 7.122 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.620 6.027 -3.724 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.742 4.763 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.276 5.066 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.676 4.256 -4.962 1.00 0.00 H new ATOM 584 N CYS A 38 7.494 8.204 -5.736 1.00 0.00 N ATOM 585 CA CYS A 38 6.071 8.518 -5.695 1.00 0.00 C ATOM 586 C CYS A 38 5.494 8.609 -7.103 1.00 0.00 C ATOM 587 O CYS A 38 4.326 8.293 -7.330 1.00 0.00 O ATOM 588 CB CYS A 38 5.838 9.834 -4.950 1.00 0.00 C ATOM 589 SG CYS A 38 5.576 9.638 -3.171 1.00 0.00 S ATOM 0 H CYS A 38 8.105 8.988 -5.508 1.00 0.00 H new ATOM 0 HA CYS A 38 5.562 7.713 -5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.696 10.487 -5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.971 10.335 -5.381 1.00 0.00 H new ATOM 0 HG CYS A 38 5.821 10.764 -2.570 1.00 0.00 H new ATOM 595 N MET A 39 6.321 9.046 -8.048 1.00 0.00 N ATOM 596 CA MET A 39 5.896 9.180 -9.436 1.00 0.00 C ATOM 597 C MET A 39 5.951 7.835 -10.155 1.00 0.00 C ATOM 598 O MET A 39 5.095 7.530 -10.985 1.00 0.00 O ATOM 599 CB MET A 39 6.776 10.198 -10.164 1.00 0.00 C ATOM 600 CG MET A 39 6.007 11.088 -11.127 1.00 0.00 C ATOM 601 SD MET A 39 6.943 11.465 -12.621 1.00 0.00 S ATOM 602 CE MET A 39 5.619 11.880 -13.754 1.00 0.00 C ATOM 0 H MET A 39 7.290 9.313 -7.877 1.00 0.00 H new ATOM 0 HA MET A 39 4.864 9.532 -9.442 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.279 10.824 -9.427 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.552 9.667 -10.714 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.073 10.598 -11.402 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.743 12.018 -10.624 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.039 12.137 -14.726 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.951 11.025 -13.862 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.060 12.730 -13.364 1.00 0.00 H new ATOM 612 N LYS A 40 6.962 7.037 -9.830 1.00 0.00 N ATOM 613 CA LYS A 40 7.128 5.725 -10.445 1.00 0.00 C ATOM 614 C LYS A 40 6.009 4.781 -10.020 1.00 0.00 C ATOM 615 O LYS A 40 5.355 4.162 -10.859 1.00 0.00 O ATOM 616 CB LYS A 40 8.485 5.130 -10.066 1.00 0.00 C ATOM 617 CG LYS A 40 9.665 5.863 -10.683 1.00 0.00 C ATOM 618 CD LYS A 40 10.985 5.389 -10.096 1.00 0.00 C ATOM 619 CE LYS A 40 11.602 4.282 -10.934 1.00 0.00 C ATOM 620 NZ LYS A 40 13.065 4.149 -10.690 1.00 0.00 N ATOM 0 H LYS A 40 7.679 7.275 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 40 7.083 5.849 -11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.587 5.143 -8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.514 4.086 -10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.668 5.706 -11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.556 6.935 -10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.678 6.228 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.824 5.030 -9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.109 3.337 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.427 4.486 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.447 3.383 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.540 5.042 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.231 3.928 -9.687 1.00 0.00 H new ATOM 634 N MET A 41 5.793 4.678 -8.713 1.00 0.00 N ATOM 635 CA MET A 41 4.751 3.811 -8.176 1.00 0.00 C ATOM 636 C MET A 41 3.379 4.226 -8.697 1.00 0.00 C ATOM 637 O MET A 41 2.586 3.389 -9.125 1.00 0.00 O ATOM 638 CB MET A 41 4.760 3.850 -6.648 1.00 0.00 C ATOM 639 CG MET A 41 6.041 3.313 -6.033 1.00 0.00 C ATOM 640 SD MET A 41 6.092 3.520 -4.242 1.00 0.00 S ATOM 641 CE MET A 41 7.410 2.388 -3.806 1.00 0.00 C ATOM 0 H MET A 41 6.326 5.184 -8.006 1.00 0.00 H new ATOM 0 HA MET A 41 4.955 2.793 -8.507 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.612 4.878 -6.318 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.916 3.271 -6.273 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.140 2.255 -6.275 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.895 3.823 -6.478 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.997 2.810 -2.991 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.983 1.436 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.053 2.228 -4.671 1.00 0.00 H new ATOM 651 N ASP A 42 3.108 5.528 -8.658 1.00 0.00 N ATOM 652 CA ASP A 42 1.832 6.063 -9.126 1.00 0.00 C ATOM 653 C ASP A 42 1.500 5.552 -10.526 1.00 0.00 C ATOM 654 O ASP A 42 0.377 5.124 -10.791 1.00 0.00 O ATOM 655 CB ASP A 42 1.867 7.592 -9.125 1.00 0.00 C ATOM 656 CG ASP A 42 0.535 8.202 -9.514 1.00 0.00 C ATOM 657 OD1 ASP A 42 0.025 7.868 -10.604 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.002 9.014 -8.729 1.00 0.00 O ATOM 0 H ASP A 42 3.756 6.233 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 42 1.054 5.721 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.149 7.945 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.636 7.935 -9.817 1.00 0.00 H new ATOM 663 N GLU A 43 2.486 5.597 -11.417 1.00 0.00 N ATOM 664 CA GLU A 43 2.295 5.136 -12.787 1.00 0.00 C ATOM 665 C GLU A 43 1.895 3.665 -12.812 1.00 0.00 C ATOM 666 O GLU A 43 1.046 3.254 -13.602 1.00 0.00 O ATOM 667 CB GLU A 43 3.574 5.344 -13.601 1.00 0.00 C ATOM 668 CG GLU A 43 3.799 6.787 -14.023 1.00 0.00 C ATOM 669 CD GLU A 43 5.205 7.033 -14.533 1.00 0.00 C ATOM 670 OE1 GLU A 43 5.585 6.412 -15.548 1.00 0.00 O ATOM 671 OE2 GLU A 43 5.927 7.846 -13.917 1.00 0.00 O ATOM 0 H GLU A 43 3.423 5.947 -11.215 1.00 0.00 H new ATOM 0 HA GLU A 43 1.491 5.721 -13.234 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.428 5.009 -13.012 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.534 4.716 -14.491 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.083 7.050 -14.802 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.604 7.444 -13.176 1.00 0.00 H new ATOM 678 N VAL A 44 2.509 2.879 -11.934 1.00 0.00 N ATOM 679 CA VAL A 44 2.217 1.455 -11.846 1.00 0.00 C ATOM 680 C VAL A 44 0.841 1.224 -11.236 1.00 0.00 C ATOM 681 O VAL A 44 -0.017 0.582 -11.841 1.00 0.00 O ATOM 682 CB VAL A 44 3.274 0.719 -11.000 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.170 -0.784 -11.206 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.673 1.213 -11.339 1.00 0.00 C ATOM 0 H VAL A 44 3.213 3.206 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 44 2.237 1.057 -12.861 1.00 0.00 H new ATOM 0 HB VAL A 44 3.083 0.935 -9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.924 -1.287 -10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.179 -1.124 -10.907 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.333 -1.019 -12.258 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.404 0.681 -10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.877 1.031 -12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.741 2.282 -11.135 1.00 0.00 H new ATOM 694 N LEU A 45 0.637 1.756 -10.034 1.00 0.00 N ATOM 695 CA LEU A 45 -0.636 1.612 -9.330 1.00 0.00 C ATOM 696 C LEU A 45 -1.820 1.901 -10.250 1.00 0.00 C ATOM 697 O LEU A 45 -2.908 1.360 -10.062 1.00 0.00 O ATOM 698 CB LEU A 45 -0.678 2.549 -8.121 1.00 0.00 C ATOM 699 CG LEU A 45 0.416 2.312 -7.078 1.00 0.00 C ATOM 700 CD1 LEU A 45 0.378 3.393 -6.008 1.00 0.00 C ATOM 701 CD2 LEU A 45 0.265 0.933 -6.453 1.00 0.00 C ATOM 0 H LEU A 45 1.339 2.293 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.714 0.579 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.604 3.577 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.649 2.448 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 45 1.384 2.359 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.163 3.207 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.536 4.368 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.592 3.379 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.051 0.781 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.709 0.858 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.344 0.171 -7.229 1.00 0.00 H new ATOM 713 N TYR A 46 -1.603 2.758 -11.241 1.00 0.00 N ATOM 714 CA TYR A 46 -2.659 3.115 -12.182 1.00 0.00 C ATOM 715 C TYR A 46 -2.840 2.033 -13.239 1.00 0.00 C ATOM 716 O TYR A 46 -3.964 1.660 -13.577 1.00 0.00 O ATOM 717 CB TYR A 46 -2.342 4.453 -12.853 1.00 0.00 C ATOM 718 CG TYR A 46 -3.439 4.945 -13.771 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.773 4.877 -13.389 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.140 5.478 -15.018 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.778 5.327 -14.224 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.139 5.930 -15.859 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.456 5.852 -15.458 1.00 0.00 C ATOM 724 OH TYR A 46 -6.454 6.300 -16.292 1.00 0.00 O ATOM 0 H TYR A 46 -0.709 3.217 -11.414 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.590 3.207 -11.623 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.161 5.202 -12.083 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.419 4.354 -13.424 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.029 4.466 -12.424 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.110 5.540 -15.336 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.810 5.268 -13.912 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.889 6.342 -16.826 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.059 6.641 -17.122 1.00 0.00 H new ATOM 734 N SER A 47 -1.727 1.538 -13.761 1.00 0.00 N ATOM 735 CA SER A 47 -1.753 0.500 -14.787 1.00 0.00 C ATOM 736 C SER A 47 -1.726 -0.901 -14.177 1.00 0.00 C ATOM 737 O SER A 47 -1.395 -1.872 -14.858 1.00 0.00 O ATOM 738 CB SER A 47 -0.570 0.672 -15.742 1.00 0.00 C ATOM 739 OG SER A 47 -0.660 -0.227 -16.833 1.00 0.00 O ATOM 0 H SER A 47 -0.790 1.838 -13.491 1.00 0.00 H new ATOM 0 HA SER A 47 -2.687 0.608 -15.339 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.544 1.697 -16.113 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.363 0.504 -15.204 1.00 0.00 H new ATOM 0 HG SER A 47 -0.962 -1.102 -16.512 1.00 0.00 H new ATOM 745 N ILE A 48 -2.071 -1.008 -12.897 1.00 0.00 N ATOM 746 CA ILE A 48 -2.074 -2.302 -12.220 1.00 0.00 C ATOM 747 C ILE A 48 -3.272 -2.450 -11.280 1.00 0.00 C ATOM 748 O ILE A 48 -3.794 -3.550 -11.102 1.00 0.00 O ATOM 749 CB ILE A 48 -0.761 -2.527 -11.436 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.673 -3.974 -10.927 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.629 -1.530 -10.291 1.00 0.00 C ATOM 752 CD1 ILE A 48 -1.562 -4.274 -9.736 1.00 0.00 C ATOM 0 H ILE A 48 -2.350 -0.221 -12.311 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.155 -3.062 -12.997 1.00 0.00 H new ATOM 0 HB ILE A 48 0.074 -2.359 -12.117 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.937 -4.649 -11.741 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.361 -4.189 -10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.304 -1.711 -9.756 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.627 -0.516 -10.690 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.469 -1.649 -9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.438 -5.316 -9.442 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.286 -3.627 -8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.603 -4.095 -10.005 1.00 0.00 H new ATOM 764 N ALA A 49 -3.709 -1.345 -10.682 1.00 0.00 N ATOM 765 CA ALA A 49 -4.846 -1.374 -9.767 1.00 0.00 C ATOM 766 C ALA A 49 -6.087 -1.941 -10.447 1.00 0.00 C ATOM 767 O ALA A 49 -6.720 -2.865 -9.935 1.00 0.00 O ATOM 768 CB ALA A 49 -5.128 0.021 -9.232 1.00 0.00 C ATOM 0 H ALA A 49 -3.295 -0.422 -10.814 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.591 -2.028 -8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.978 -0.015 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.252 0.390 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.356 0.690 -10.062 1.00 0.00 H new ATOM 774 N GLU A 50 -6.434 -1.378 -11.601 1.00 0.00 N ATOM 775 CA GLU A 50 -7.603 -1.816 -12.354 1.00 0.00 C ATOM 776 C GLU A 50 -7.635 -3.336 -12.508 1.00 0.00 C ATOM 777 O GLU A 50 -8.705 -3.932 -12.640 1.00 0.00 O ATOM 778 CB GLU A 50 -7.620 -1.156 -13.734 1.00 0.00 C ATOM 779 CG GLU A 50 -8.291 0.207 -13.748 1.00 0.00 C ATOM 780 CD GLU A 50 -7.331 1.333 -13.418 1.00 0.00 C ATOM 781 OE1 GLU A 50 -6.537 1.178 -12.466 1.00 0.00 O ATOM 782 OE2 GLU A 50 -7.371 2.371 -14.113 1.00 0.00 O ATOM 0 H GLU A 50 -5.918 -0.613 -12.036 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.488 -1.514 -11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.595 -1.051 -14.090 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.135 -1.813 -14.435 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.727 0.383 -14.731 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.111 0.212 -13.030 1.00 0.00 H new ATOM 789 N LYS A 51 -6.459 -3.957 -12.493 1.00 0.00 N ATOM 790 CA LYS A 51 -6.358 -5.407 -12.635 1.00 0.00 C ATOM 791 C LYS A 51 -7.220 -6.126 -11.600 1.00 0.00 C ATOM 792 O LYS A 51 -8.221 -6.755 -11.942 1.00 0.00 O ATOM 793 CB LYS A 51 -4.901 -5.853 -12.500 1.00 0.00 C ATOM 794 CG LYS A 51 -3.970 -5.209 -13.513 1.00 0.00 C ATOM 795 CD LYS A 51 -2.612 -5.891 -13.535 1.00 0.00 C ATOM 796 CE LYS A 51 -1.614 -5.120 -14.385 1.00 0.00 C ATOM 797 NZ LYS A 51 -0.741 -6.029 -15.178 1.00 0.00 N ATOM 0 H LYS A 51 -5.564 -3.480 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.724 -5.672 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.550 -5.618 -11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.850 -6.936 -12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.419 -5.259 -14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.844 -4.153 -13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.232 -5.980 -12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.718 -6.903 -13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.151 -4.453 -15.059 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.996 -4.494 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.040 -5.483 -15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.354 -6.768 -14.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.299 -6.472 -15.936 1.00 0.00 H new ATOM 811 N VAL A 52 -6.823 -6.030 -10.335 1.00 0.00 N ATOM 812 CA VAL A 52 -7.559 -6.675 -9.254 1.00 0.00 C ATOM 813 C VAL A 52 -8.205 -5.647 -8.331 1.00 0.00 C ATOM 814 O VAL A 52 -8.407 -5.905 -7.145 1.00 0.00 O ATOM 815 CB VAL A 52 -6.644 -7.591 -8.420 1.00 0.00 C ATOM 816 CG1 VAL A 52 -6.227 -8.810 -9.229 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.426 -6.824 -7.928 1.00 0.00 C ATOM 0 H VAL A 52 -5.997 -5.513 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.338 -7.277 -9.722 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.202 -7.937 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.581 -9.445 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.113 -9.371 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.687 -8.488 -10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.791 -7.487 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.864 -6.447 -8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.749 -5.988 -7.308 1.00 0.00 H new ATOM 827 N LYS A 53 -8.526 -4.479 -8.881 1.00 0.00 N ATOM 828 CA LYS A 53 -9.146 -3.410 -8.109 1.00 0.00 C ATOM 829 C LYS A 53 -10.349 -3.920 -7.319 1.00 0.00 C ATOM 830 O LYS A 53 -10.694 -3.371 -6.272 1.00 0.00 O ATOM 831 CB LYS A 53 -9.578 -2.271 -9.034 1.00 0.00 C ATOM 832 CG LYS A 53 -10.199 -1.094 -8.300 1.00 0.00 C ATOM 833 CD LYS A 53 -9.861 0.225 -8.977 1.00 0.00 C ATOM 834 CE LYS A 53 -8.700 0.924 -8.286 1.00 0.00 C ATOM 835 NZ LYS A 53 -8.097 1.979 -9.145 1.00 0.00 N ATOM 0 H LYS A 53 -8.366 -4.250 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.406 -3.039 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.712 -1.922 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.295 -2.655 -9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.281 -1.218 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.843 -1.077 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.609 0.045 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.736 0.875 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.047 1.369 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.938 0.190 -8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.310 2.431 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.742 1.550 -10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.817 2.694 -9.374 1.00 0.00 H new ATOM 849 N ASN A 54 -10.985 -4.971 -7.828 1.00 0.00 N ATOM 850 CA ASN A 54 -12.152 -5.552 -7.171 1.00 0.00 C ATOM 851 C ASN A 54 -11.762 -6.249 -5.871 1.00 0.00 C ATOM 852 O ASN A 54 -12.492 -6.189 -4.882 1.00 0.00 O ATOM 853 CB ASN A 54 -12.845 -6.544 -8.106 1.00 0.00 C ATOM 854 CG ASN A 54 -13.766 -5.857 -9.096 1.00 0.00 C ATOM 855 OD1 ASN A 54 -14.434 -4.877 -8.765 1.00 0.00 O ATOM 856 ND2 ASN A 54 -13.808 -6.370 -10.320 1.00 0.00 N ATOM 0 H ASN A 54 -10.712 -5.438 -8.693 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.841 -4.742 -6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.092 -7.114 -8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.419 -7.257 -7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.411 -5.951 -11.028 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.238 -7.183 -10.552 1.00 0.00 H new ATOM 863 N PHE A 55 -10.611 -6.914 -5.879 1.00 0.00 N ATOM 864 CA PHE A 55 -10.131 -7.623 -4.699 1.00 0.00 C ATOM 865 C PHE A 55 -9.209 -6.741 -3.870 1.00 0.00 C ATOM 866 O PHE A 55 -9.474 -6.472 -2.697 1.00 0.00 O ATOM 867 CB PHE A 55 -9.398 -8.902 -5.111 1.00 0.00 C ATOM 868 CG PHE A 55 -10.152 -9.731 -6.112 1.00 0.00 C ATOM 869 CD1 PHE A 55 -11.489 -10.033 -5.914 1.00 0.00 C ATOM 870 CD2 PHE A 55 -9.523 -10.206 -7.251 1.00 0.00 C ATOM 871 CE1 PHE A 55 -12.185 -10.795 -6.833 1.00 0.00 C ATOM 872 CE2 PHE A 55 -10.214 -10.969 -8.174 1.00 0.00 C ATOM 873 CZ PHE A 55 -11.547 -11.264 -7.964 1.00 0.00 C ATOM 0 H PHE A 55 -9.994 -6.976 -6.689 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.995 -7.886 -4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.427 -8.636 -5.530 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.208 -9.504 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.993 -9.669 -5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.481 -9.978 -7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.227 -11.024 -6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.712 -11.334 -9.058 1.00 0.00 H new ATOM 0 HZ PHE A 55 -12.089 -11.860 -8.683 1.00 0.00 H new ATOM 883 N ALA A 56 -8.129 -6.299 -4.489 1.00 0.00 N ATOM 884 CA ALA A 56 -7.156 -5.444 -3.821 1.00 0.00 C ATOM 885 C ALA A 56 -7.286 -3.998 -4.283 1.00 0.00 C ATOM 886 O ALA A 56 -7.661 -3.734 -5.425 1.00 0.00 O ATOM 887 CB ALA A 56 -5.745 -5.955 -4.075 1.00 0.00 C ATOM 0 H ALA A 56 -7.900 -6.518 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.357 -5.475 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.027 -5.308 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.651 -6.970 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.545 -5.953 -5.146 1.00 0.00 H new ATOM 893 N VAL A 57 -6.972 -3.063 -3.392 1.00 0.00 N ATOM 894 CA VAL A 57 -7.051 -1.644 -3.716 1.00 0.00 C ATOM 895 C VAL A 57 -5.746 -0.938 -3.372 1.00 0.00 C ATOM 896 O VAL A 57 -4.791 -1.572 -2.929 1.00 0.00 O ATOM 897 CB VAL A 57 -8.213 -0.955 -2.973 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.533 -1.228 -3.677 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.269 -1.413 -1.522 1.00 0.00 C ATOM 0 H VAL A 57 -6.661 -3.262 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.232 -1.571 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.038 0.121 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.342 -0.734 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.488 -0.844 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.717 -2.302 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.096 -0.915 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.418 -2.492 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.333 -1.160 -1.024 1.00 0.00 H new ATOM 909 N ILE A 58 -5.708 0.375 -3.578 1.00 0.00 N ATOM 910 CA ILE A 58 -4.513 1.160 -3.284 1.00 0.00 C ATOM 911 C ILE A 58 -4.883 2.567 -2.826 1.00 0.00 C ATOM 912 O ILE A 58 -5.983 3.047 -3.095 1.00 0.00 O ATOM 913 CB ILE A 58 -3.585 1.262 -4.511 1.00 0.00 C ATOM 914 CG1 ILE A 58 -3.341 -0.123 -5.116 1.00 0.00 C ATOM 915 CG2 ILE A 58 -2.266 1.914 -4.125 1.00 0.00 C ATOM 916 CD1 ILE A 58 -4.447 -0.584 -6.041 1.00 0.00 C ATOM 0 H ILE A 58 -6.489 0.917 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.985 0.642 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.072 1.884 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.400 -0.109 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.228 -0.848 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.622 1.979 -5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.455 2.916 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.775 1.315 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.206 -1.572 -6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.386 -0.631 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.546 0.119 -6.868 1.00 0.00 H new ATOM 928 N TYR A 59 -3.952 3.227 -2.143 1.00 0.00 N ATOM 929 CA TYR A 59 -4.168 4.571 -1.658 1.00 0.00 C ATOM 930 C TYR A 59 -2.841 5.261 -1.351 1.00 0.00 C ATOM 931 O TYR A 59 -1.892 4.626 -0.895 1.00 0.00 O ATOM 932 CB TYR A 59 -5.056 4.566 -0.413 1.00 0.00 C ATOM 933 CG TYR A 59 -6.487 4.154 -0.683 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.429 5.084 -1.102 1.00 0.00 C ATOM 935 CD2 TYR A 59 -6.892 2.836 -0.518 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.738 4.711 -1.349 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.198 2.455 -0.762 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.116 3.396 -1.178 1.00 0.00 C ATOM 939 OH TYR A 59 -10.417 3.022 -1.423 1.00 0.00 O ATOM 0 H TYR A 59 -3.035 2.842 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.675 5.129 -2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.626 3.889 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.052 5.563 0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.135 6.114 -1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.175 2.097 -0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.460 5.446 -1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.498 1.426 -0.628 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.518 2.062 -1.256 1.00 0.00 H new ATOM 949 N LEU A 60 -2.786 6.563 -1.605 1.00 0.00 N ATOM 950 CA LEU A 60 -1.577 7.340 -1.356 1.00 0.00 C ATOM 951 C LEU A 60 -1.608 7.964 0.035 1.00 0.00 C ATOM 952 O LEU A 60 -2.661 8.041 0.668 1.00 0.00 O ATOM 953 CB LEU A 60 -1.419 8.433 -2.415 1.00 0.00 C ATOM 954 CG LEU A 60 -1.872 8.044 -3.824 1.00 0.00 C ATOM 955 CD1 LEU A 60 -1.558 9.157 -4.812 1.00 0.00 C ATOM 956 CD2 LEU A 60 -1.211 6.743 -4.255 1.00 0.00 C ATOM 0 H LEU A 60 -3.564 7.103 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.724 6.664 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.985 9.309 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.371 8.728 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.951 7.893 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.887 8.863 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.078 10.067 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.484 9.340 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.544 6.481 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.128 6.867 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.487 5.948 -3.562 1.00 0.00 H new ATOM 968 N VAL A 61 -0.446 8.407 0.505 1.00 0.00 N ATOM 969 CA VAL A 61 -0.341 9.024 1.822 1.00 0.00 C ATOM 970 C VAL A 61 0.698 10.139 1.824 1.00 0.00 C ATOM 971 O VAL A 61 1.682 10.087 1.086 1.00 0.00 O ATOM 972 CB VAL A 61 0.033 7.988 2.900 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.110 8.588 4.290 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.822 6.737 2.760 1.00 0.00 C ATOM 0 H VAL A 61 0.435 8.350 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.320 9.442 2.055 1.00 0.00 H new ATOM 0 HB VAL A 61 1.076 7.704 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.158 7.842 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.551 9.450 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.142 8.903 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.543 6.018 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.874 7.000 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.663 6.296 1.776 1.00 0.00 H new ATOM 984 N ASP A 62 0.472 11.151 2.657 1.00 0.00 N ATOM 985 CA ASP A 62 1.389 12.280 2.754 1.00 0.00 C ATOM 986 C ASP A 62 2.155 12.248 4.073 1.00 0.00 C ATOM 987 O ASP A 62 1.568 12.385 5.147 1.00 0.00 O ATOM 988 CB ASP A 62 0.623 13.598 2.627 1.00 0.00 C ATOM 989 CG ASP A 62 -0.326 13.604 1.444 1.00 0.00 C ATOM 990 OD1 ASP A 62 -1.179 12.695 1.363 1.00 0.00 O ATOM 991 OD2 ASP A 62 -0.215 14.517 0.600 1.00 0.00 O ATOM 0 H ASP A 62 -0.338 11.211 3.274 1.00 0.00 H new ATOM 0 HA ASP A 62 2.106 12.204 1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.059 13.777 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.333 14.419 2.524 1.00 0.00 H new ATOM 996 N ILE A 63 3.470 12.069 3.983 1.00 0.00 N ATOM 997 CA ILE A 63 4.319 12.021 5.168 1.00 0.00 C ATOM 998 C ILE A 63 4.681 13.424 5.643 1.00 0.00 C ATOM 999 O ILE A 63 5.858 13.768 5.767 1.00 0.00 O ATOM 1000 CB ILE A 63 5.612 11.226 4.900 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.286 9.884 4.244 1.00 0.00 C ATOM 1002 CG2 ILE A 63 6.383 11.017 6.194 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.510 9.050 3.934 1.00 0.00 C ATOM 0 H ILE A 63 3.970 11.955 3.101 1.00 0.00 H new ATOM 0 HA ILE A 63 3.748 11.516 5.947 1.00 0.00 H new ATOM 0 HB ILE A 63 6.238 11.799 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.627 9.317 4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.736 10.064 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.293 10.454 5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.644 11.985 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.765 10.462 6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.204 8.112 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.160 9.597 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.050 8.839 4.857 1.00 0.00 H new ATOM 1015 N THR A 64 3.660 14.232 5.909 1.00 0.00 N ATOM 1016 CA THR A 64 3.864 15.600 6.372 1.00 0.00 C ATOM 1017 C THR A 64 2.573 16.167 6.950 1.00 0.00 C ATOM 1018 O THR A 64 2.577 16.789 8.012 1.00 0.00 O ATOM 1019 CB THR A 64 4.352 16.484 5.222 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.325 15.807 4.447 1.00 0.00 O ATOM 1021 CG2 THR A 64 4.963 17.788 5.688 1.00 0.00 C ATOM 0 H THR A 64 2.681 13.962 5.812 1.00 0.00 H new ATOM 0 HA THR A 64 4.622 15.587 7.155 1.00 0.00 H new ATOM 0 HB THR A 64 3.463 16.708 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.921 15.302 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.288 18.367 4.824 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.221 18.358 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.820 17.580 6.328 1.00 0.00 H new ATOM 1029 N GLU A 65 1.469 15.941 6.245 1.00 0.00 N ATOM 1030 CA GLU A 65 0.166 16.423 6.688 1.00 0.00 C ATOM 1031 C GLU A 65 -0.529 15.387 7.565 1.00 0.00 C ATOM 1032 O GLU A 65 -1.305 15.733 8.455 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.712 16.761 5.482 1.00 0.00 C ATOM 1034 CG GLU A 65 -2.063 17.349 5.859 1.00 0.00 C ATOM 1035 CD GLU A 65 -1.975 18.815 6.235 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -1.917 19.661 5.317 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -1.965 19.118 7.446 1.00 0.00 O ATOM 0 H GLU A 65 1.451 15.427 5.364 1.00 0.00 H new ATOM 0 HA GLU A 65 0.322 17.325 7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.182 17.469 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.870 15.857 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.752 17.233 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.479 16.787 6.695 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.246 14.112 7.306 1.00 0.00 N ATOM 1045 CA VAL A 66 -0.847 13.027 8.073 1.00 0.00 C ATOM 1046 C VAL A 66 -0.101 12.788 9.385 1.00 0.00 C ATOM 1047 O VAL A 66 -0.720 12.660 10.442 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.886 11.712 7.269 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.811 10.706 7.936 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.320 11.972 5.833 1.00 0.00 C ATOM 0 H VAL A 66 0.394 13.807 6.573 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.869 13.337 8.293 1.00 0.00 H new ATOM 0 HB VAL A 66 0.120 11.292 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.826 9.784 7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.452 10.494 8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.819 11.118 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.341 11.031 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.315 12.417 5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.615 12.654 5.358 1.00 0.00 H new ATOM 1060 N PRO A 67 1.245 12.725 9.345 1.00 0.00 N ATOM 1061 CA PRO A 67 2.058 12.501 10.545 1.00 0.00 C ATOM 1062 C PRO A 67 1.673 13.432 11.691 1.00 0.00 C ATOM 1063 O PRO A 67 1.431 14.621 11.483 1.00 0.00 O ATOM 1064 CB PRO A 67 3.481 12.802 10.070 1.00 0.00 C ATOM 1065 CG PRO A 67 3.459 12.511 8.610 1.00 0.00 C ATOM 1066 CD PRO A 67 2.078 12.867 8.133 1.00 0.00 C ATOM 0 HA PRO A 67 1.929 11.494 10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.752 13.840 10.263 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.212 12.180 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.215 13.095 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.678 11.461 8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.040 13.882 7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.745 12.201 7.337 1.00 0.00 H new ATOM 1235 N ASP A 77 12.823 7.951 6.167 1.00 0.00 N ATOM 1236 CA ASP A 77 12.931 7.212 4.915 1.00 0.00 C ATOM 1237 C ASP A 77 12.393 8.036 3.747 1.00 0.00 C ATOM 1238 O ASP A 77 11.531 8.896 3.930 1.00 0.00 O ATOM 1239 CB ASP A 77 12.173 5.887 5.012 1.00 0.00 C ATOM 1240 CG ASP A 77 13.007 4.788 5.639 1.00 0.00 C ATOM 1241 OD1 ASP A 77 13.038 4.703 6.885 1.00 0.00 O ATOM 1242 OD2 ASP A 77 13.631 4.013 4.885 1.00 0.00 O ATOM 0 HA ASP A 77 13.986 7.006 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.267 6.032 5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.859 5.577 4.015 1.00 0.00 H new ATOM 1247 N PRO A 78 12.896 7.782 2.527 1.00 0.00 N ATOM 1248 CA PRO A 78 12.460 8.505 1.328 1.00 0.00 C ATOM 1249 C PRO A 78 11.029 8.156 0.930 1.00 0.00 C ATOM 1250 O PRO A 78 10.222 9.038 0.637 1.00 0.00 O ATOM 1251 CB PRO A 78 13.443 8.038 0.252 1.00 0.00 C ATOM 1252 CG PRO A 78 13.912 6.703 0.719 1.00 0.00 C ATOM 1253 CD PRO A 78 13.926 6.772 2.221 1.00 0.00 C ATOM 0 HA PRO A 78 12.458 9.584 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.959 7.969 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.275 8.735 0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.248 5.912 0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.905 6.480 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.689 5.807 2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.904 7.068 2.600 1.00 0.00 H new ATOM 1261 N CYS A 79 10.722 6.863 0.921 1.00 0.00 N ATOM 1262 CA CYS A 79 9.389 6.396 0.558 1.00 0.00 C ATOM 1263 C CYS A 79 9.284 4.881 0.704 1.00 0.00 C ATOM 1264 O CYS A 79 10.296 4.184 0.777 1.00 0.00 O ATOM 1265 CB CYS A 79 9.055 6.806 -0.877 1.00 0.00 C ATOM 1266 SG CYS A 79 7.284 6.850 -1.240 1.00 0.00 S ATOM 0 H CYS A 79 11.378 6.120 1.161 1.00 0.00 H new ATOM 0 HA CYS A 79 8.672 6.859 1.237 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.479 7.792 -1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.538 6.111 -1.564 1.00 0.00 H new ATOM 0 HG CYS A 79 6.612 6.786 -0.129 1.00 0.00 H new ATOM 1272 N THR A 80 8.054 4.379 0.746 1.00 0.00 N ATOM 1273 CA THR A 80 7.817 2.946 0.882 1.00 0.00 C ATOM 1274 C THR A 80 6.323 2.639 0.842 1.00 0.00 C ATOM 1275 O THR A 80 5.496 3.483 1.187 1.00 0.00 O ATOM 1276 CB THR A 80 8.420 2.429 2.189 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.268 1.025 2.291 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.796 3.049 3.422 1.00 0.00 C ATOM 0 H THR A 80 7.206 4.943 0.688 1.00 0.00 H new ATOM 0 HA THR A 80 8.298 2.441 0.044 1.00 0.00 H new ATOM 0 HB THR A 80 9.472 2.710 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.661 0.714 3.133 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.269 2.639 4.314 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.940 4.129 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.729 2.825 3.442 1.00 0.00 H new ATOM 1286 N VAL A 81 5.983 1.425 0.420 1.00 0.00 N ATOM 1287 CA VAL A 81 4.587 1.010 0.335 1.00 0.00 C ATOM 1288 C VAL A 81 4.266 -0.062 1.372 1.00 0.00 C ATOM 1289 O VAL A 81 5.162 -0.736 1.881 1.00 0.00 O ATOM 1290 CB VAL A 81 4.247 0.470 -1.067 1.00 0.00 C ATOM 1291 CG1 VAL A 81 2.750 0.233 -1.202 1.00 0.00 C ATOM 1292 CG2 VAL A 81 4.742 1.427 -2.142 1.00 0.00 C ATOM 0 H VAL A 81 6.654 0.713 0.132 1.00 0.00 H new ATOM 0 HA VAL A 81 3.982 1.895 0.533 1.00 0.00 H new ATOM 0 HB VAL A 81 4.755 -0.485 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.530 -0.148 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.428 -0.494 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.218 1.171 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.493 1.029 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.265 2.398 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.823 1.540 -2.059 1.00 0.00 H new ATOM 1302 N MET A 82 2.981 -0.215 1.682 1.00 0.00 N ATOM 1303 CA MET A 82 2.541 -1.205 2.658 1.00 0.00 C ATOM 1304 C MET A 82 1.223 -1.843 2.228 1.00 0.00 C ATOM 1305 O MET A 82 0.522 -1.320 1.362 1.00 0.00 O ATOM 1306 CB MET A 82 2.381 -0.559 4.035 1.00 0.00 C ATOM 1307 CG MET A 82 3.690 -0.424 4.798 1.00 0.00 C ATOM 1308 SD MET A 82 3.678 0.956 5.958 1.00 0.00 S ATOM 1309 CE MET A 82 5.200 0.660 6.854 1.00 0.00 C ATOM 0 H MET A 82 2.227 0.335 1.271 1.00 0.00 H new ATOM 0 HA MET A 82 3.301 -1.984 2.716 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.936 0.429 3.915 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.684 -1.152 4.627 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.887 -1.348 5.341 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.507 -0.291 4.089 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.333 1.434 7.610 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.154 -0.316 7.338 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.041 0.682 6.160 1.00 0.00 H new ATOM 1319 N PHE A 83 0.891 -2.977 2.839 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.344 -3.686 2.517 1.00 0.00 C ATOM 1321 C PHE A 83 -1.174 -3.931 3.773 1.00 0.00 C ATOM 1322 O PHE A 83 -0.633 -4.200 4.844 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.028 -5.018 1.834 1.00 0.00 C ATOM 1324 CG PHE A 83 0.186 -4.901 0.353 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.200 -4.103 -0.154 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.625 -5.590 -0.535 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.400 -3.993 -1.517 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.430 -5.485 -1.899 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.583 -4.685 -2.391 1.00 0.00 C ATOM 0 H PHE A 83 1.459 -3.424 3.559 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.924 -3.064 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.865 -5.446 2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.845 -5.715 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.842 -3.561 0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.419 -6.217 -0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.193 -3.367 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.069 -6.028 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.736 -4.600 -3.457 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.494 -3.838 3.632 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.398 -4.051 4.755 1.00 0.00 C ATOM 1341 C PHE A 84 -4.597 -4.894 4.331 1.00 0.00 C ATOM 1342 O PHE A 84 -5.320 -4.539 3.402 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.879 -2.710 5.312 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.796 -1.913 5.982 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.753 -1.378 5.243 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -2.821 -1.698 7.351 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -0.755 -0.645 5.857 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -1.826 -0.965 7.970 1.00 0.00 C ATOM 1349 CZ PHE A 84 -0.792 -0.438 7.222 1.00 0.00 C ATOM 0 H PHE A 84 -2.959 -3.617 2.752 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.853 -4.586 5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.303 -2.120 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.681 -2.890 6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.720 -1.536 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.627 -2.108 7.941 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.053 -0.234 5.270 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.857 -0.805 9.038 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.013 0.135 7.703 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.800 -6.017 5.013 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.909 -6.905 4.696 1.00 0.00 C ATOM 1361 C PHE A 85 -6.854 -7.048 5.890 1.00 0.00 C ATOM 1362 O PHE A 85 -6.445 -7.467 6.973 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.373 -8.274 4.265 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.034 -9.192 5.408 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.009 -9.990 5.985 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -3.740 -9.258 5.901 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -5.700 -10.836 7.034 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -3.426 -10.101 6.949 1.00 0.00 C ATOM 1369 CZ PHE A 85 -4.406 -10.891 7.516 1.00 0.00 C ATOM 0 H PHE A 85 -4.213 -6.331 5.785 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.476 -6.472 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.116 -8.759 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.482 -8.127 3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.021 -9.951 5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.969 -8.643 5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.469 -11.453 7.476 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.414 -10.142 7.325 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.162 -11.551 8.335 1.00 0.00 H new ATOM 1379 N ARG A 86 -8.120 -6.696 5.681 1.00 0.00 N ATOM 1380 CA ARG A 86 -9.125 -6.787 6.737 1.00 0.00 C ATOM 1381 C ARG A 86 -8.658 -6.074 8.003 1.00 0.00 C ATOM 1382 O ARG A 86 -8.915 -6.533 9.117 1.00 0.00 O ATOM 1383 CB ARG A 86 -9.437 -8.251 7.048 1.00 0.00 C ATOM 1384 CG ARG A 86 -10.715 -8.445 7.848 1.00 0.00 C ATOM 1385 CD ARG A 86 -10.727 -9.787 8.561 1.00 0.00 C ATOM 1386 NE ARG A 86 -10.038 -9.730 9.849 1.00 0.00 N ATOM 1387 CZ ARG A 86 -10.047 -10.719 10.739 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -10.708 -11.843 10.486 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -9.394 -10.586 11.885 1.00 0.00 N ATOM 0 H ARG A 86 -8.474 -6.345 4.791 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.031 -6.296 6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.517 -8.803 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.603 -8.682 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.813 -7.642 8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.576 -8.377 7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.758 -10.106 8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.252 -10.537 7.929 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.520 -8.882 10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.212 -11.951 9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.712 -12.598 11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.884 -9.725 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.401 -11.344 12.567 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.973 -4.950 7.826 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.470 -4.174 8.954 1.00 0.00 C ATOM 1405 C ASN A 87 -6.467 -4.986 9.770 1.00 0.00 C ATOM 1406 O ASN A 87 -6.341 -4.798 10.980 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.627 -3.723 9.847 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.453 -2.301 10.345 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -8.157 -1.392 9.569 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -8.640 -2.102 11.645 1.00 0.00 N ATOM 0 H ASN A 87 -7.753 -4.555 6.912 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.962 -3.294 8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.562 -3.799 9.292 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.708 -4.397 10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.539 -1.166 12.037 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.884 -2.885 12.251 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.756 -5.886 9.100 1.00 0.00 N ATOM 1418 CA LYS A 88 -4.765 -6.725 9.763 1.00 0.00 C ATOM 1419 C LYS A 88 -3.376 -6.099 9.680 1.00 0.00 C ATOM 1420 O LYS A 88 -2.526 -6.333 10.539 1.00 0.00 O ATOM 1421 CB LYS A 88 -4.745 -8.121 9.138 1.00 0.00 C ATOM 1422 CG LYS A 88 -4.160 -9.188 10.051 1.00 0.00 C ATOM 1423 CD LYS A 88 -5.230 -10.144 10.552 1.00 0.00 C ATOM 1424 CE LYS A 88 -4.635 -11.242 11.418 1.00 0.00 C ATOM 1425 NZ LYS A 88 -5.652 -12.261 11.801 1.00 0.00 N ATOM 0 H LYS A 88 -5.848 -6.053 8.098 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.044 -6.809 10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.762 -8.404 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.167 -8.088 8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.394 -9.747 9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.670 -8.712 10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.974 -9.591 11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.748 -10.590 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.820 -11.727 10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.206 -10.802 12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.206 -12.992 12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.417 -11.803 12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.044 -12.700 10.943 1.00 0.00 H new ATOM 1439 N HIS A 89 -3.152 -5.301 8.638 1.00 0.00 N ATOM 1440 CA HIS A 89 -1.867 -4.640 8.441 1.00 0.00 C ATOM 1441 C HIS A 89 -0.755 -5.661 8.223 1.00 0.00 C ATOM 1442 O HIS A 89 -0.346 -6.357 9.153 1.00 0.00 O ATOM 1443 CB HIS A 89 -1.533 -3.754 9.645 1.00 0.00 C ATOM 1444 CG HIS A 89 -0.248 -3.001 9.497 1.00 0.00 C ATOM 1445 ND1 HIS A 89 0.216 -2.109 10.441 1.00 0.00 N ATOM 1446 CD2 HIS A 89 0.675 -3.010 8.505 1.00 0.00 C ATOM 1447 CE1 HIS A 89 1.366 -1.601 10.036 1.00 0.00 C ATOM 1448 NE2 HIS A 89 1.667 -2.133 8.866 1.00 0.00 N ATOM 0 H HIS A 89 -3.845 -5.097 7.918 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.943 -4.017 7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.345 -3.043 9.799 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.479 -4.375 10.539 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.637 -3.597 7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.959 -0.874 10.571 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.502 -1.926 8.318 1.00 0.00 H new ATOM 1457 N ILE A 90 -0.271 -5.744 6.988 1.00 0.00 N ATOM 1458 CA ILE A 90 0.796 -6.677 6.646 1.00 0.00 C ATOM 1459 C ILE A 90 2.003 -5.940 6.072 1.00 0.00 C ATOM 1460 O ILE A 90 1.866 -5.105 5.176 1.00 0.00 O ATOM 1461 CB ILE A 90 0.314 -7.736 5.633 1.00 0.00 C ATOM 1462 CG1 ILE A 90 1.419 -8.760 5.364 1.00 0.00 C ATOM 1463 CG2 ILE A 90 -0.131 -7.073 4.337 1.00 0.00 C ATOM 1464 CD1 ILE A 90 0.895 -10.139 5.025 1.00 0.00 C ATOM 0 H ILE A 90 -0.601 -5.176 6.207 1.00 0.00 H new ATOM 0 HA ILE A 90 1.089 -7.181 7.567 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.542 -8.258 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.041 -8.404 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.061 -8.830 6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.467 -7.836 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.950 -6.383 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.705 -6.524 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.733 -10.813 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.297 -10.515 5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.277 -10.083 4.129 1.00 0.00 H new ATOM 1476 N MET A 91 3.184 -6.253 6.596 1.00 0.00 N ATOM 1477 CA MET A 91 4.416 -5.622 6.140 1.00 0.00 C ATOM 1478 C MET A 91 4.877 -6.217 4.814 1.00 0.00 C ATOM 1479 O MET A 91 5.322 -7.363 4.757 1.00 0.00 O ATOM 1480 CB MET A 91 5.514 -5.782 7.193 1.00 0.00 C ATOM 1481 CG MET A 91 5.189 -5.111 8.517 1.00 0.00 C ATOM 1482 SD MET A 91 5.583 -3.350 8.519 1.00 0.00 S ATOM 1483 CE MET A 91 7.265 -3.380 9.132 1.00 0.00 C ATOM 0 H MET A 91 3.313 -6.941 7.338 1.00 0.00 H new ATOM 0 HA MET A 91 4.216 -4.561 5.990 1.00 0.00 H new ATOM 0 HB2 MET A 91 5.688 -6.844 7.366 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.443 -5.367 6.803 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.129 -5.242 8.736 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.743 -5.604 9.316 1.00 0.00 H new ATOM 0 HE1 MET A 91 7.649 -2.362 9.190 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.283 -3.832 10.124 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.888 -3.965 8.456 1.00 0.00 H new ATOM 1493 N ILE A 92 4.769 -5.429 3.750 1.00 0.00 N ATOM 1494 CA ILE A 92 5.176 -5.874 2.422 1.00 0.00 C ATOM 1495 C ILE A 92 4.975 -4.767 1.391 1.00 0.00 C ATOM 1496 O ILE A 92 3.845 -4.424 1.043 1.00 0.00 O ATOM 1497 CB ILE A 92 4.393 -7.129 1.985 1.00 0.00 C ATOM 1498 CG1 ILE A 92 4.899 -7.634 0.630 1.00 0.00 C ATOM 1499 CG2 ILE A 92 2.902 -6.835 1.926 1.00 0.00 C ATOM 1500 CD1 ILE A 92 5.774 -8.864 0.732 1.00 0.00 C ATOM 0 H ILE A 92 4.403 -4.478 3.781 1.00 0.00 H new ATOM 0 HA ILE A 92 6.235 -6.124 2.478 1.00 0.00 H new ATOM 0 HB ILE A 92 4.558 -7.912 2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.044 -7.858 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.461 -6.838 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.366 -7.732 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.553 -6.526 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.717 -6.036 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.096 -9.165 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.648 -8.639 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.209 -9.675 1.192 1.00 0.00 H new ATOM 1512 N ASP A 93 6.080 -4.210 0.909 1.00 0.00 N ATOM 1513 CA ASP A 93 6.029 -3.140 -0.081 1.00 0.00 C ATOM 1514 C ASP A 93 5.324 -3.606 -1.351 1.00 0.00 C ATOM 1515 O ASP A 93 4.751 -4.694 -1.391 1.00 0.00 O ATOM 1516 CB ASP A 93 7.444 -2.660 -0.412 1.00 0.00 C ATOM 1517 CG ASP A 93 7.829 -1.416 0.367 1.00 0.00 C ATOM 1518 OD1 ASP A 93 7.748 -1.448 1.613 1.00 0.00 O ATOM 1519 OD2 ASP A 93 8.212 -0.412 -0.270 1.00 0.00 O ATOM 0 H ASP A 93 7.023 -4.482 1.188 1.00 0.00 H new ATOM 0 HA ASP A 93 5.461 -2.311 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.155 -3.457 -0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.514 -2.453 -1.480 1.00 0.00 H new ATOM 1524 N LEU A 94 5.368 -2.773 -2.387 1.00 0.00 N ATOM 1525 CA LEU A 94 4.732 -3.101 -3.659 1.00 0.00 C ATOM 1526 C LEU A 94 5.313 -4.383 -4.249 1.00 0.00 C ATOM 1527 O LEU A 94 4.684 -5.031 -5.086 1.00 0.00 O ATOM 1528 CB LEU A 94 4.905 -1.947 -4.650 1.00 0.00 C ATOM 1529 CG LEU A 94 3.935 -0.779 -4.463 1.00 0.00 C ATOM 1530 CD1 LEU A 94 4.438 0.455 -5.197 1.00 0.00 C ATOM 1531 CD2 LEU A 94 2.543 -1.158 -4.947 1.00 0.00 C ATOM 0 H LEU A 94 5.837 -1.867 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 94 3.670 -3.259 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.924 -1.569 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.789 -2.337 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 94 3.877 -0.547 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.735 1.276 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.414 0.740 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.526 0.235 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.867 -0.315 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.584 -1.418 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.180 -2.013 -4.377 1.00 0.00 H new ATOM 1543 N GLY A 95 6.514 -4.748 -3.808 1.00 0.00 N ATOM 1544 CA GLY A 95 7.152 -5.952 -4.308 1.00 0.00 C ATOM 1545 C GLY A 95 7.663 -6.842 -3.192 1.00 0.00 C ATOM 1546 O GLY A 95 7.273 -6.686 -2.036 1.00 0.00 O ATOM 0 H GLY A 95 7.055 -4.232 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.441 -6.510 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.982 -5.677 -4.958 1.00 0.00 H new ATOM 1613 N LYS A 101 13.110 -2.877 1.032 1.00 0.00 N ATOM 1614 CA LYS A 101 11.731 -2.564 0.682 1.00 0.00 C ATOM 1615 C LYS A 101 11.666 -1.615 -0.512 1.00 0.00 C ATOM 1616 O LYS A 101 12.603 -0.857 -0.767 1.00 0.00 O ATOM 1617 CB LYS A 101 11.008 -1.944 1.879 1.00 0.00 C ATOM 1618 CG LYS A 101 10.408 -2.972 2.825 1.00 0.00 C ATOM 1619 CD LYS A 101 10.377 -2.461 4.255 1.00 0.00 C ATOM 1620 CE LYS A 101 11.704 -2.700 4.960 1.00 0.00 C ATOM 1621 NZ LYS A 101 11.520 -2.976 6.411 1.00 0.00 N ATOM 0 HA LYS A 101 11.236 -3.495 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.709 -1.318 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.215 -1.290 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.396 -3.217 2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.989 -3.893 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.149 -1.395 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.577 -2.959 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.217 -3.541 4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.344 -1.827 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.447 -3.133 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.053 -2.164 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.930 -3.824 6.531 1.00 0.00 H new ATOM 1635 N ILE A 102 10.555 -1.661 -1.239 1.00 0.00 N ATOM 1636 CA ILE A 102 10.367 -0.806 -2.404 1.00 0.00 C ATOM 1637 C ILE A 102 10.350 0.667 -2.009 1.00 0.00 C ATOM 1638 O ILE A 102 9.285 1.266 -1.854 1.00 0.00 O ATOM 1639 CB ILE A 102 9.059 -1.144 -3.145 1.00 0.00 C ATOM 1640 CG1 ILE A 102 8.999 -2.640 -3.463 1.00 0.00 C ATOM 1641 CG2 ILE A 102 8.941 -0.323 -4.422 1.00 0.00 C ATOM 1642 CD1 ILE A 102 10.176 -3.131 -4.279 1.00 0.00 C ATOM 0 H ILE A 102 9.771 -2.282 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 102 11.210 -0.990 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 102 8.219 -0.893 -2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.955 -3.201 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.077 -2.852 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.011 -0.575 -4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.942 0.738 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.785 -0.544 -5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.068 -4.199 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.209 -2.597 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.100 -2.951 -3.730 1.00 0.00 H new ATOM 1654 N ASN A 103 11.535 1.245 -1.849 1.00 0.00 N ATOM 1655 CA ASN A 103 11.657 2.648 -1.476 1.00 0.00 C ATOM 1656 C ASN A 103 11.948 3.511 -2.699 1.00 0.00 C ATOM 1657 O ASN A 103 11.620 4.697 -2.727 1.00 0.00 O ATOM 1658 CB ASN A 103 12.764 2.827 -0.435 1.00 0.00 C ATOM 1659 CG ASN A 103 14.060 2.158 -0.849 1.00 0.00 C ATOM 1660 OD1 ASN A 103 14.285 0.983 -0.560 1.00 0.00 O ATOM 1661 ND2 ASN A 103 14.921 2.906 -1.529 1.00 0.00 N ATOM 0 H ASN A 103 12.425 0.763 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 103 10.708 2.968 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.942 3.891 -0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.433 2.414 0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.810 2.511 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.693 3.876 -1.747 1.00 0.00 H new ATOM 1668 N TRP A 104 12.567 2.907 -3.711 1.00 0.00 N ATOM 1669 CA TRP A 104 12.901 3.619 -4.939 1.00 0.00 C ATOM 1670 C TRP A 104 11.869 3.346 -6.032 1.00 0.00 C ATOM 1671 O TRP A 104 11.764 4.100 -7.000 1.00 0.00 O ATOM 1672 CB TRP A 104 14.294 3.212 -5.424 1.00 0.00 C ATOM 1673 CG TRP A 104 15.077 4.350 -6.003 1.00 0.00 C ATOM 1674 CD1 TRP A 104 14.873 4.955 -7.211 1.00 0.00 C ATOM 1675 CD2 TRP A 104 16.191 5.019 -5.401 1.00 0.00 C ATOM 1676 NE1 TRP A 104 15.792 5.960 -7.395 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.612 6.018 -6.299 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.874 4.870 -4.191 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.684 6.865 -6.022 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 17.937 5.710 -3.918 1.00 0.00 C ATOM 1681 CH2 TRP A 104 18.333 6.696 -4.829 1.00 0.00 C ATOM 0 H TRP A 104 12.847 1.926 -3.703 1.00 0.00 H new ATOM 0 HA TRP A 104 12.894 4.687 -4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.851 2.785 -4.590 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.195 2.429 -6.176 1.00 0.00 H new ATOM 0 HD1 TRP A 104 14.103 4.683 -7.917 1.00 0.00 H new ATOM 0 HE1 TRP A 104 15.854 6.564 -8.214 1.00 0.00 H new ATOM 0 HE3 TRP A 104 16.576 4.112 -3.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 17.991 7.627 -6.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 18.471 5.604 -2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 104 19.168 7.337 -4.586 1.00 0.00 H new ATOM 1692 N ALA A 105 11.108 2.264 -5.872 1.00 0.00 N ATOM 1693 CA ALA A 105 10.085 1.893 -6.846 1.00 0.00 C ATOM 1694 C ALA A 105 10.712 1.395 -8.144 1.00 0.00 C ATOM 1695 O ALA A 105 11.553 2.069 -8.739 1.00 0.00 O ATOM 1696 CB ALA A 105 9.159 3.069 -7.122 1.00 0.00 C ATOM 0 H ALA A 105 11.181 1.630 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 105 9.499 1.078 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.403 2.774 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.671 3.373 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.738 3.903 -7.518 1.00 0.00 H new ATOM 1702 N MET A 106 10.297 0.208 -8.575 1.00 0.00 N ATOM 1703 CA MET A 106 10.815 -0.387 -9.803 1.00 0.00 C ATOM 1704 C MET A 106 10.156 -1.737 -10.068 1.00 0.00 C ATOM 1705 O MET A 106 9.278 -2.167 -9.320 1.00 0.00 O ATOM 1706 CB MET A 106 12.333 -0.556 -9.713 1.00 0.00 C ATOM 1707 CG MET A 106 12.801 -1.161 -8.399 1.00 0.00 C ATOM 1708 SD MET A 106 13.468 0.072 -7.263 1.00 0.00 S ATOM 1709 CE MET A 106 13.107 -0.691 -5.685 1.00 0.00 C ATOM 0 H MET A 106 9.603 -0.362 -8.092 1.00 0.00 H new ATOM 0 HA MET A 106 10.581 0.283 -10.631 1.00 0.00 H new ATOM 0 HB2 MET A 106 12.669 -1.188 -10.535 1.00 0.00 H new ATOM 0 HB3 MET A 106 12.807 0.417 -9.845 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.966 -1.674 -7.922 1.00 0.00 H new ATOM 0 HG3 MET A 106 13.564 -1.913 -8.601 1.00 0.00 H new ATOM 0 HE1 MET A 106 13.817 -0.335 -4.938 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.095 -0.429 -5.377 1.00 0.00 H new ATOM 0 HE3 MET A 106 13.189 -1.774 -5.777 1.00 0.00 H new ATOM 1719 N GLU A 107 10.586 -2.403 -11.139 1.00 0.00 N ATOM 1720 CA GLU A 107 10.040 -3.710 -11.507 1.00 0.00 C ATOM 1721 C GLU A 107 8.628 -3.588 -12.087 1.00 0.00 C ATOM 1722 O GLU A 107 7.966 -4.594 -12.344 1.00 0.00 O ATOM 1723 CB GLU A 107 10.022 -4.638 -10.294 1.00 0.00 C ATOM 1724 CG GLU A 107 11.307 -4.605 -9.481 1.00 0.00 C ATOM 1725 CD GLU A 107 11.066 -4.281 -8.019 1.00 0.00 C ATOM 1726 OE1 GLU A 107 9.931 -4.494 -7.542 1.00 0.00 O ATOM 1727 OE2 GLU A 107 12.013 -3.817 -7.350 1.00 0.00 O ATOM 0 H GLU A 107 11.312 -2.059 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 107 10.687 -4.131 -12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.187 -4.363 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.842 -5.659 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.805 -5.571 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.983 -3.863 -9.907 1.00 0.00 H new ATOM 1734 N ASP A 108 8.176 -2.353 -12.291 1.00 0.00 N ATOM 1735 CA ASP A 108 6.849 -2.098 -12.844 1.00 0.00 C ATOM 1736 C ASP A 108 5.769 -2.872 -12.090 1.00 0.00 C ATOM 1737 O ASP A 108 6.009 -3.391 -11.000 1.00 0.00 O ATOM 1738 CB ASP A 108 6.811 -2.462 -14.330 1.00 0.00 C ATOM 1739 CG ASP A 108 8.028 -1.957 -15.082 1.00 0.00 C ATOM 1740 OD1 ASP A 108 8.157 -0.726 -15.245 1.00 0.00 O ATOM 1741 OD2 ASP A 108 8.852 -2.794 -15.509 1.00 0.00 O ATOM 0 H ASP A 108 8.712 -1.511 -12.081 1.00 0.00 H new ATOM 0 HA ASP A 108 6.644 -1.034 -12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.747 -3.545 -14.434 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.910 -2.045 -14.780 1.00 0.00 H new ATOM 1746 N LYS A 109 4.579 -2.940 -12.680 1.00 0.00 N ATOM 1747 CA LYS A 109 3.456 -3.642 -12.070 1.00 0.00 C ATOM 1748 C LYS A 109 3.716 -5.143 -11.994 1.00 0.00 C ATOM 1749 O LYS A 109 3.326 -5.798 -11.029 1.00 0.00 O ATOM 1750 CB LYS A 109 2.176 -3.379 -12.865 1.00 0.00 C ATOM 1751 CG LYS A 109 2.279 -3.766 -14.331 1.00 0.00 C ATOM 1752 CD LYS A 109 1.487 -2.817 -15.215 1.00 0.00 C ATOM 1753 CE LYS A 109 2.207 -2.543 -16.525 1.00 0.00 C ATOM 1754 NZ LYS A 109 3.580 -2.010 -16.302 1.00 0.00 N ATOM 0 H LYS A 109 4.368 -2.516 -13.583 1.00 0.00 H new ATOM 0 HA LYS A 109 3.337 -3.264 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.355 -3.932 -12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.925 -2.321 -12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.325 -3.762 -14.637 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.911 -4.783 -14.466 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.505 -3.244 -15.421 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.322 -1.878 -14.686 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.265 -3.463 -17.107 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.631 -1.829 -17.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.816 -1.333 -17.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.621 -1.530 -15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.263 -2.794 -16.314 1.00 0.00 H new ATOM 1768 N GLN A 110 4.369 -5.681 -13.023 1.00 0.00 N ATOM 1769 CA GLN A 110 4.678 -7.112 -13.086 1.00 0.00 C ATOM 1770 C GLN A 110 5.100 -7.663 -11.725 1.00 0.00 C ATOM 1771 O GLN A 110 4.564 -8.668 -11.258 1.00 0.00 O ATOM 1772 CB GLN A 110 5.783 -7.367 -14.112 1.00 0.00 C ATOM 1773 CG GLN A 110 5.323 -7.212 -15.552 1.00 0.00 C ATOM 1774 CD GLN A 110 6.413 -6.668 -16.457 1.00 0.00 C ATOM 1775 OE1 GLN A 110 7.502 -7.235 -16.545 1.00 0.00 O ATOM 1776 NE2 GLN A 110 6.122 -5.564 -17.135 1.00 0.00 N ATOM 0 H GLN A 110 4.696 -5.147 -13.828 1.00 0.00 H new ATOM 0 HA GLN A 110 3.769 -7.630 -13.390 1.00 0.00 H new ATOM 0 HB2 GLN A 110 6.606 -6.677 -13.926 1.00 0.00 H new ATOM 0 HB3 GLN A 110 6.173 -8.375 -13.970 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.991 -8.179 -15.930 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.462 -6.545 -15.585 1.00 0.00 H new ATOM 0 HE21 GLN A 110 5.206 -5.128 -17.031 1.00 0.00 H new ATOM 0 HE22 GLN A 110 6.815 -5.152 -17.760 1.00 0.00 H new ATOM 1785 N GLU A 111 6.062 -6.999 -11.094 1.00 0.00 N ATOM 1786 CA GLU A 111 6.554 -7.426 -9.788 1.00 0.00 C ATOM 1787 C GLU A 111 5.422 -7.490 -8.765 1.00 0.00 C ATOM 1788 O GLU A 111 5.139 -8.549 -8.205 1.00 0.00 O ATOM 1789 CB GLU A 111 7.648 -6.477 -9.298 1.00 0.00 C ATOM 1790 CG GLU A 111 8.930 -7.185 -8.893 1.00 0.00 C ATOM 1791 CD GLU A 111 9.502 -8.039 -10.008 1.00 0.00 C ATOM 1792 OE1 GLU A 111 9.179 -7.771 -11.185 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.270 -8.975 -9.706 1.00 0.00 O ATOM 0 H GLU A 111 6.516 -6.164 -11.464 1.00 0.00 H new ATOM 0 HA GLU A 111 6.971 -8.427 -9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 111 7.873 -5.758 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.271 -5.910 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.670 -6.444 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.735 -7.812 -8.023 1.00 0.00 H new ATOM 1800 N MET A 112 4.783 -6.350 -8.522 1.00 0.00 N ATOM 1801 CA MET A 112 3.688 -6.277 -7.562 1.00 0.00 C ATOM 1802 C MET A 112 2.565 -7.243 -7.928 1.00 0.00 C ATOM 1803 O MET A 112 1.974 -7.877 -7.055 1.00 0.00 O ATOM 1804 CB MET A 112 3.143 -4.850 -7.481 1.00 0.00 C ATOM 1805 CG MET A 112 2.803 -4.250 -8.833 1.00 0.00 C ATOM 1806 SD MET A 112 2.016 -2.633 -8.698 1.00 0.00 S ATOM 1807 CE MET A 112 3.406 -1.621 -8.198 1.00 0.00 C ATOM 0 H MET A 112 5.005 -5.464 -8.977 1.00 0.00 H new ATOM 0 HA MET A 112 4.082 -6.565 -6.587 1.00 0.00 H new ATOM 0 HB2 MET A 112 2.250 -4.846 -6.857 1.00 0.00 H new ATOM 0 HB3 MET A 112 3.880 -4.216 -6.987 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.714 -4.158 -9.425 1.00 0.00 H new ATOM 0 HG3 MET A 112 2.141 -4.928 -9.371 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.105 -0.574 -8.176 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.738 -1.924 -7.205 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.223 -1.749 -8.908 1.00 0.00 H new ATOM 1817 N VAL A 113 2.273 -7.354 -9.222 1.00 0.00 N ATOM 1818 CA VAL A 113 1.217 -8.247 -9.692 1.00 0.00 C ATOM 1819 C VAL A 113 1.364 -9.639 -9.082 1.00 0.00 C ATOM 1820 O VAL A 113 0.381 -10.249 -8.660 1.00 0.00 O ATOM 1821 CB VAL A 113 1.220 -8.363 -11.232 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.133 -9.319 -11.704 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.046 -6.993 -11.871 1.00 0.00 C ATOM 0 H VAL A 113 2.751 -6.839 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 113 0.269 -7.814 -9.373 1.00 0.00 H new ATOM 0 HB VAL A 113 2.184 -8.767 -11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.154 -9.385 -12.792 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.307 -10.307 -11.277 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.841 -8.950 -11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.051 -7.094 -12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.098 -6.560 -11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.864 -6.342 -11.564 1.00 0.00 H new ATOM 1833 N ASP A 114 2.597 -10.133 -9.037 1.00 0.00 N ATOM 1834 CA ASP A 114 2.867 -11.452 -8.474 1.00 0.00 C ATOM 1835 C ASP A 114 2.762 -11.425 -6.953 1.00 0.00 C ATOM 1836 O ASP A 114 2.407 -12.426 -6.327 1.00 0.00 O ATOM 1837 CB ASP A 114 4.257 -11.933 -8.894 1.00 0.00 C ATOM 1838 CG ASP A 114 4.296 -13.424 -9.163 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.368 -14.201 -8.187 1.00 0.00 O ATOM 1840 OD2 ASP A 114 4.255 -13.816 -10.347 1.00 0.00 O ATOM 0 H ASP A 114 3.422 -9.643 -9.382 1.00 0.00 H new ATOM 0 HA ASP A 114 2.119 -12.145 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.569 -11.397 -9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.975 -11.689 -8.111 1.00 0.00 H new ATOM 1845 N ILE A 115 3.067 -10.273 -6.363 1.00 0.00 N ATOM 1846 CA ILE A 115 3.001 -10.115 -4.918 1.00 0.00 C ATOM 1847 C ILE A 115 1.554 -10.073 -4.450 1.00 0.00 C ATOM 1848 O ILE A 115 1.121 -10.901 -3.649 1.00 0.00 O ATOM 1849 CB ILE A 115 3.724 -8.825 -4.462 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.230 -9.072 -4.358 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.172 -8.325 -3.128 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.597 -10.163 -3.375 1.00 0.00 C ATOM 0 H ILE A 115 3.362 -9.436 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 115 3.502 -10.974 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 115 3.544 -8.053 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.616 -9.337 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.722 -8.146 -4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.699 -7.418 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.109 -8.109 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.314 -9.091 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.680 -10.284 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.242 -9.892 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.134 -11.101 -3.682 1.00 0.00 H new ATOM 1864 N ILE A 116 0.816 -9.090 -4.950 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.581 -8.921 -4.579 1.00 0.00 C ATOM 1866 C ILE A 116 -1.359 -10.220 -4.764 1.00 0.00 C ATOM 1867 O ILE A 116 -2.319 -10.489 -4.043 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.254 -7.806 -5.404 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.444 -6.511 -5.315 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.682 -7.577 -4.925 1.00 0.00 C ATOM 1871 CD1 ILE A 116 -0.268 -5.816 -6.646 1.00 0.00 C ATOM 0 H ILE A 116 1.163 -8.398 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.596 -8.639 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.287 -8.120 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.938 -5.830 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.538 -6.734 -4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.142 -6.787 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.256 -8.497 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.671 -7.283 -3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.316 -4.906 -6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.253 -6.479 -7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.245 -5.561 -7.055 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.933 -11.024 -5.733 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.585 -12.298 -6.009 1.00 0.00 C ATOM 1885 C GLU A 117 -1.375 -13.273 -4.857 1.00 0.00 C ATOM 1886 O GLU A 117 -2.327 -13.871 -4.352 1.00 0.00 O ATOM 1887 CB GLU A 117 -1.046 -12.900 -7.309 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.708 -14.214 -7.690 1.00 0.00 C ATOM 1889 CD GLU A 117 -0.841 -15.417 -7.373 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -0.823 -15.842 -6.199 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -0.181 -15.932 -8.299 1.00 0.00 O ATOM 0 H GLU A 117 -0.140 -10.816 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.654 -12.117 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.188 -12.183 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.028 -13.059 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.657 -14.305 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.936 -14.206 -8.756 1.00 0.00 H new ATOM 1898 N THR A 118 -0.121 -13.429 -4.443 1.00 0.00 N ATOM 1899 CA THR A 118 0.215 -14.332 -3.348 1.00 0.00 C ATOM 1900 C THR A 118 -0.244 -13.762 -2.009 1.00 0.00 C ATOM 1901 O THR A 118 -0.582 -14.507 -1.089 1.00 0.00 O ATOM 1902 CB THR A 118 1.723 -14.588 -3.316 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.174 -15.082 -4.565 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.139 -15.581 -2.252 1.00 0.00 C ATOM 0 H THR A 118 0.678 -12.942 -4.849 1.00 0.00 H new ATOM 0 HA THR A 118 -0.304 -15.275 -3.517 1.00 0.00 H new ATOM 0 HB THR A 118 2.175 -13.623 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.279 -14.337 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.220 -15.717 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.849 -15.206 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.648 -16.537 -2.434 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.251 -12.436 -1.907 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.667 -11.766 -0.680 1.00 0.00 C ATOM 1914 C VAL A 119 -2.159 -11.958 -0.426 1.00 0.00 C ATOM 1915 O VAL A 119 -2.571 -12.256 0.693 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.353 -10.257 -0.729 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -0.717 -9.588 0.589 1.00 0.00 C ATOM 1918 CG2 VAL A 119 1.114 -10.027 -1.063 1.00 0.00 C ATOM 0 H VAL A 119 0.027 -11.805 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.103 -12.220 0.135 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.958 -9.807 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.487 -8.524 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.782 -9.720 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.143 -10.041 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.317 -8.956 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.738 -10.493 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.339 -10.466 -2.035 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.964 -11.783 -1.467 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.409 -11.934 -1.344 1.00 0.00 C ATOM 1930 C TYR A 120 -4.779 -13.377 -1.002 1.00 0.00 C ATOM 1931 O TYR A 120 -5.728 -13.625 -0.258 1.00 0.00 O ATOM 1932 CB TYR A 120 -5.103 -11.483 -2.640 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.656 -12.613 -3.487 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -6.845 -13.246 -3.145 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -4.989 -13.043 -4.626 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -7.352 -14.275 -3.915 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -5.490 -14.071 -5.402 1.00 0.00 C ATOM 1938 CZ TYR A 120 -6.671 -14.684 -5.041 1.00 0.00 C ATOM 1939 OH TYR A 120 -7.173 -15.708 -5.811 1.00 0.00 O ATOM 0 H TYR A 120 -2.642 -11.537 -2.403 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.754 -11.299 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.918 -10.806 -2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.392 -10.913 -3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.381 -12.928 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -4.063 -12.566 -4.911 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.278 -14.756 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -4.959 -14.392 -6.286 1.00 0.00 H new ATOM 0 HH TYR A 120 -6.573 -15.872 -6.568 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.029 -14.321 -1.556 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.281 -15.738 -1.318 1.00 0.00 C ATOM 1951 C ARG A 121 -4.078 -16.095 0.151 1.00 0.00 C ATOM 1952 O ARG A 121 -4.797 -16.929 0.702 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.366 -16.595 -2.193 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.027 -17.863 -2.708 1.00 0.00 C ATOM 1955 CD ARG A 121 -3.546 -18.216 -4.105 1.00 0.00 C ATOM 1956 NE ARG A 121 -2.474 -19.208 -4.081 1.00 0.00 N ATOM 1957 CZ ARG A 121 -1.939 -19.748 -5.173 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -2.371 -19.394 -6.378 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -0.967 -20.643 -5.062 1.00 0.00 N ATOM 0 H ARG A 121 -3.240 -14.132 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.320 -15.941 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.029 -16.001 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.479 -16.865 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.812 -18.688 -2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.109 -17.732 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.382 -18.600 -4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.194 -17.314 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.114 -19.504 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.117 -18.704 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.957 -19.812 -7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.629 -20.918 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.557 -21.057 -5.899 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.095 -15.460 0.778 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.815 -15.726 2.177 1.00 0.00 C ATOM 1975 C GLY A 122 -3.499 -14.742 3.105 1.00 0.00 C ATOM 1976 O GLY A 122 -4.148 -15.139 4.073 1.00 0.00 O ATOM 0 H GLY A 122 -2.487 -14.766 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.139 -16.737 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.738 -15.687 2.342 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.353 -13.456 2.808 1.00 0.00 N ATOM 1981 CA ALA A 123 -3.960 -12.408 3.620 1.00 0.00 C ATOM 1982 C ALA A 123 -5.409 -12.166 3.207 1.00 0.00 C ATOM 1983 O ALA A 123 -5.788 -11.048 2.856 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.150 -11.124 3.510 1.00 0.00 C ATOM 0 H ALA A 123 -2.819 -13.114 2.010 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.959 -12.735 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.613 -10.349 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.134 -11.304 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.123 -10.799 2.470 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.215 -13.221 3.253 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.623 -13.125 2.884 1.00 0.00 C ATOM 1992 C ARG A 124 -8.447 -12.551 4.032 1.00 0.00 C ATOM 1993 O ARG A 124 -7.899 -12.076 5.027 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.164 -14.501 2.491 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.270 -15.249 1.516 1.00 0.00 C ATOM 1996 CD ARG A 124 -7.569 -16.740 1.519 1.00 0.00 C ATOM 1997 NE ARG A 124 -7.468 -17.322 0.183 1.00 0.00 N ATOM 1998 CZ ARG A 124 -8.000 -18.494 -0.157 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -8.670 -19.210 0.737 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -7.862 -18.950 -1.395 1.00 0.00 N ATOM 0 H ARG A 124 -5.918 -14.153 3.542 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.704 -12.453 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.290 -15.103 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.152 -14.381 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.411 -14.850 0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.225 -15.086 1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -6.875 -17.247 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.572 -16.908 1.912 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.960 -16.800 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.779 -18.863 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.076 -20.107 0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.348 -18.403 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -8.269 -19.848 -1.656 1.00 0.00 H new