USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 781 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 ASN :FLIP amide:sc= -3.38 F(o=-4.2!,f=-2.5) USER MOD Set 1.2: A 83 TYR OH : rot -94:sc= 0.894 USER MOD Set 2.1: A 43 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 44 SER OG : rot 32:sc= 0.555 USER MOD Set 2.3: A 47 THR OG1 : rot 15:sc= 1.54 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.923 K(o=-0.89,f=-1.5) USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 2 ASN : amide:sc= -0.834 K(o=-0.83,f=-1.8) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.71 K(o=-1.7,f=-9.1!) USER MOD Single : A 8 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.55) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 13 ASN : amide:sc= -0.807 K(o=-0.81,f=-3.9!) USER MOD Single : A 14 THR OG1 : rot 70:sc= -0.869 USER MOD Single : A 18 ASN :FLIP amide:sc= -1.51 F(o=-2.2,f=-1.5) USER MOD Single : A 23 MET CE :methyl 172:sc= -0.92 (180deg=-1.08) USER MOD Single : A 25 ASN : amide:sc= -3.18 X(o=-3.2,f=-3.4) USER MOD Single : A 26 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.29) USER MOD Single : A 28 TYR OH : rot 110:sc= -1.88! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 80:sc= -1.35 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -8:sc= -0.175 USER MOD Single : A 57 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.6!) USER MOD Single : A 58 MET CE :methyl 146:sc= -0.328 (180deg=-1.3) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 SER OG : rot -170:sc= 0.0197 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.54) USER MOD Single : A 69 ASN :FLIP amide:sc=-0.00491 F(o=-2.6!,f=-0.0049) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -4.15! C(o=-4.1!,f=-4.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.047) USER MOD Single : A 99 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 100 TYR OH : rot -140:sc= -2 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -6.33! C(o=-6.8!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -2.923 1.234 8.610 1.00 12.00 N ATOM 16 CA ASN A 2 -2.383 -0.154 8.730 1.00 12.00 C ATOM 17 C ASN A 2 -2.656 -0.902 7.412 1.00 12.00 C ATOM 18 O ASN A 2 -3.548 -0.543 6.670 1.00 12.00 O ATOM 19 CB ASN A 2 -3.038 -0.848 9.929 1.00 12.00 C ATOM 20 CG ASN A 2 -2.543 -2.294 10.050 1.00 12.00 C ATOM 21 OD1 ASN A 2 -3.336 -3.209 10.164 1.00 12.00 O ATOM 22 ND2 ASN A 2 -1.259 -2.543 10.037 1.00 12.00 N ATOM 0 HA ASN A 2 -1.307 -0.143 8.901 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.808 -0.301 10.843 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -4.122 -0.837 9.815 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -0.925 -3.503 10.122 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -0.592 -1.777 9.941 1.00 12.00 H new ATOM 29 N TRP A 3 -1.862 -1.909 7.110 1.00 12.00 N ATOM 30 CA TRP A 3 -2.011 -2.683 5.816 1.00 12.00 C ATOM 31 C TRP A 3 -3.315 -3.515 5.835 1.00 12.00 C ATOM 32 O TRP A 3 -3.836 -3.866 4.793 1.00 12.00 O ATOM 33 CB TRP A 3 -0.816 -3.650 5.678 1.00 12.00 C ATOM 34 CG TRP A 3 -0.049 -3.500 4.390 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.288 -3.309 4.350 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.489 -3.586 2.988 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.709 -3.298 3.037 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.658 -3.461 2.161 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.737 -3.763 2.350 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.575 -3.523 0.770 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.819 -3.823 0.945 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.663 -3.708 0.159 1.00 12.00 C ATOM 0 H TRP A 3 -1.105 -2.236 7.710 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.043 -1.982 4.982 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.135 -3.491 6.514 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.181 -4.674 5.754 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.927 -3.184 5.212 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.681 -3.183 2.749 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.635 -3.853 2.944 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.467 -3.428 0.169 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.779 -3.959 0.469 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.733 -3.763 -0.917 1.00 12.00 H new ATOM 53 N ALA A 4 -3.812 -3.863 7.012 1.00 12.00 N ATOM 54 CA ALA A 4 -5.058 -4.709 7.123 1.00 12.00 C ATOM 55 C ALA A 4 -6.309 -3.875 6.812 1.00 12.00 C ATOM 56 O ALA A 4 -7.023 -4.138 5.850 1.00 12.00 O ATOM 57 CB ALA A 4 -5.154 -5.278 8.544 1.00 12.00 C ATOM 0 H ALA A 4 -3.403 -3.594 7.907 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.000 -5.523 6.400 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.052 -5.890 8.631 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.276 -5.890 8.751 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.202 -4.459 9.261 1.00 12.00 H new ATOM 63 N THR A 5 -6.572 -2.874 7.622 1.00 12.00 N ATOM 64 CA THR A 5 -7.757 -1.990 7.393 1.00 12.00 C ATOM 65 C THR A 5 -7.580 -1.307 6.035 1.00 12.00 C ATOM 66 O THR A 5 -8.544 -1.056 5.330 1.00 12.00 O ATOM 67 CB THR A 5 -7.848 -0.939 8.505 1.00 12.00 C ATOM 68 OG1 THR A 5 -7.688 -1.574 9.766 1.00 12.00 O ATOM 69 CG2 THR A 5 -9.212 -0.243 8.452 1.00 12.00 C ATOM 0 H THR A 5 -6.010 -2.632 8.438 1.00 12.00 H new ATOM 0 HA THR A 5 -8.676 -2.576 7.403 1.00 12.00 H new ATOM 0 HB THR A 5 -7.062 -0.197 8.366 1.00 12.00 H new ATOM 0 HG1 THR A 5 -7.744 -0.904 10.479 1.00 12.00 H new ATOM 0 HG21 THR A 5 -9.271 0.503 9.245 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.334 0.245 7.485 1.00 12.00 H new ATOM 0 HG23 THR A 5 -10.003 -0.981 8.589 1.00 12.00 H new ATOM 77 N PHE A 6 -6.339 -1.053 5.655 1.00 12.00 N ATOM 78 CA PHE A 6 -6.055 -0.439 4.329 1.00 12.00 C ATOM 79 C PHE A 6 -6.218 -1.513 3.253 1.00 12.00 C ATOM 80 O PHE A 6 -6.537 -1.207 2.123 1.00 12.00 O ATOM 81 CB PHE A 6 -4.646 0.127 4.298 1.00 12.00 C ATOM 82 CG PHE A 6 -4.446 0.864 2.991 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.176 0.129 1.834 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.544 2.268 2.925 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.999 0.779 0.617 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.371 2.921 1.701 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.097 2.174 0.546 1.00 12.00 C ATOM 0 H PHE A 6 -5.513 -1.251 6.220 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.750 0.380 4.145 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.492 0.802 5.140 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.915 -0.675 4.395 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.104 -0.947 1.885 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.752 2.839 3.818 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.786 0.207 -0.274 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.448 3.997 1.645 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.961 2.676 -0.401 1.00 12.00 H new ATOM 97 N GLN A 7 -6.051 -2.778 3.606 1.00 12.00 N ATOM 98 CA GLN A 7 -6.254 -3.884 2.606 1.00 12.00 C ATOM 99 C GLN A 7 -7.652 -3.711 2.013 1.00 12.00 C ATOM 100 O GLN A 7 -7.881 -3.980 0.846 1.00 12.00 O ATOM 101 CB GLN A 7 -6.152 -5.252 3.282 1.00 12.00 C ATOM 102 CG GLN A 7 -6.245 -6.349 2.222 1.00 12.00 C ATOM 103 CD GLN A 7 -4.887 -6.527 1.540 1.00 12.00 C ATOM 104 OE1 GLN A 7 -4.241 -5.564 1.182 1.00 12.00 O ATOM 105 NE2 GLN A 7 -4.427 -7.732 1.345 1.00 12.00 N ATOM 0 H GLN A 7 -5.784 -3.087 4.541 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.487 -3.834 1.833 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.210 -5.333 3.824 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -6.951 -5.369 4.014 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -6.557 -7.287 2.682 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -7.002 -6.090 1.482 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -4.971 -8.541 1.646 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -3.523 -7.866 0.891 1.00 12.00 H new ATOM 114 N GLN A 8 -8.566 -3.214 2.826 1.00 12.00 N ATOM 115 CA GLN A 8 -9.950 -2.940 2.351 1.00 12.00 C ATOM 116 C GLN A 8 -9.928 -1.611 1.584 1.00 12.00 C ATOM 117 O GLN A 8 -10.594 -1.456 0.573 1.00 12.00 O ATOM 118 CB GLN A 8 -10.893 -2.824 3.556 1.00 12.00 C ATOM 119 CG GLN A 8 -11.268 -4.224 4.062 1.00 12.00 C ATOM 120 CD GLN A 8 -10.675 -4.447 5.456 1.00 12.00 C ATOM 121 OE1 GLN A 8 -9.594 -4.983 5.591 1.00 12.00 O ATOM 122 NE2 GLN A 8 -11.344 -4.050 6.505 1.00 12.00 N ATOM 0 H GLN A 8 -8.400 -2.988 3.807 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.301 -3.747 1.707 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.411 -2.257 4.353 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.792 -2.277 3.274 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.352 -4.330 4.097 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -10.896 -4.982 3.373 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -12.252 -3.600 6.390 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -10.958 -4.190 7.439 1.00 12.00 H new ATOM 131 N LYS A 9 -9.142 -0.654 2.067 1.00 12.00 N ATOM 132 CA LYS A 9 -9.028 0.694 1.402 1.00 12.00 C ATOM 133 C LYS A 9 -8.824 0.528 -0.116 1.00 12.00 C ATOM 134 O LYS A 9 -9.508 1.157 -0.907 1.00 12.00 O ATOM 135 CB LYS A 9 -7.846 1.482 2.023 1.00 12.00 C ATOM 136 CG LYS A 9 -7.698 2.851 1.345 1.00 12.00 C ATOM 137 CD LYS A 9 -8.912 3.735 1.655 1.00 12.00 C ATOM 138 CE LYS A 9 -8.988 4.010 3.160 1.00 12.00 C ATOM 139 NZ LYS A 9 -9.874 5.185 3.400 1.00 12.00 N ATOM 0 H LYS A 9 -8.570 -0.758 2.905 1.00 12.00 H new ATOM 0 HA LYS A 9 -9.951 1.250 1.564 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -8.012 1.615 3.092 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -6.923 0.913 1.912 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -6.787 3.339 1.691 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -7.600 2.721 0.267 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -8.837 4.675 1.108 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -9.825 3.243 1.320 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -9.375 3.135 3.683 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -7.992 4.204 3.557 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -9.929 5.376 4.421 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -9.486 6.018 2.913 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -10.826 4.982 3.034 1.00 12.00 H new ATOM 153 N HIS A 10 -7.892 -0.313 -0.513 1.00 12.00 N ATOM 154 CA HIS A 10 -7.621 -0.544 -1.972 1.00 12.00 C ATOM 155 C HIS A 10 -8.248 -1.844 -2.489 1.00 12.00 C ATOM 156 O HIS A 10 -8.241 -2.061 -3.693 1.00 12.00 O ATOM 157 CB HIS A 10 -6.098 -0.607 -2.236 1.00 12.00 C ATOM 158 CG HIS A 10 -5.644 0.619 -2.975 1.00 12.00 C ATOM 159 ND1 HIS A 10 -6.257 1.032 -4.146 1.00 12.00 N ATOM 160 CD2 HIS A 10 -4.616 1.498 -2.758 1.00 12.00 C ATOM 161 CE1 HIS A 10 -5.600 2.117 -4.586 1.00 12.00 C ATOM 162 NE2 HIS A 10 -4.589 2.446 -3.777 1.00 12.00 N ATOM 0 H HIS A 10 -7.302 -0.854 0.119 1.00 12.00 H new ATOM 0 HA HIS A 10 -8.072 0.295 -2.501 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.562 -0.689 -1.291 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -5.860 -1.498 -2.816 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -3.931 1.461 -1.924 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -5.857 2.658 -5.485 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -3.938 3.224 -3.883 1.00 12.00 H new ATOM 170 N ILE A 11 -8.709 -2.742 -1.627 1.00 12.00 N ATOM 171 CA ILE A 11 -9.224 -4.047 -2.168 1.00 12.00 C ATOM 172 C ILE A 11 -10.526 -4.564 -1.519 1.00 12.00 C ATOM 173 O ILE A 11 -10.530 -5.593 -0.847 1.00 12.00 O ATOM 174 CB ILE A 11 -8.122 -5.115 -2.021 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.783 -4.572 -2.530 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.508 -6.354 -2.833 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.032 -3.912 -1.371 1.00 12.00 C ATOM 0 H ILE A 11 -8.748 -2.630 -0.614 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.479 -3.857 -3.211 1.00 12.00 H new ATOM 0 HB ILE A 11 -8.020 -5.376 -0.968 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.186 -5.381 -2.952 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -6.950 -3.849 -3.329 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.731 -7.112 -2.732 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.453 -6.751 -2.463 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.615 -6.082 -3.883 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.078 -3.524 -1.729 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.629 -3.093 -0.970 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -5.853 -4.648 -0.587 1.00 12.00 H new ATOM 189 N ILE A 12 -11.649 -3.938 -1.815 1.00 12.00 N ATOM 190 CA ILE A 12 -12.953 -4.492 -1.334 1.00 12.00 C ATOM 191 C ILE A 12 -13.484 -5.273 -2.541 1.00 12.00 C ATOM 192 O ILE A 12 -14.456 -4.891 -3.169 1.00 12.00 O ATOM 193 CB ILE A 12 -13.949 -3.390 -0.930 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.326 -2.500 0.166 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.233 -4.062 -0.418 1.00 12.00 C ATOM 196 CD1 ILE A 12 -14.390 -1.594 0.814 1.00 12.00 C ATOM 0 H ILE A 12 -11.714 -3.079 -2.362 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.824 -5.101 -0.439 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.185 -2.758 -1.786 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -12.864 -3.127 0.929 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.535 -1.887 -0.265 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.953 -3.297 -0.126 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.660 -4.680 -1.208 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -14.998 -4.687 0.444 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -13.924 -0.978 1.583 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -14.833 -0.952 0.053 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -15.167 -2.211 1.265 1.00 12.00 H new ATOM 208 N ASN A 13 -12.781 -6.335 -2.899 1.00 12.00 N ATOM 209 CA ASN A 13 -13.142 -7.152 -4.099 1.00 12.00 C ATOM 210 C ASN A 13 -14.467 -7.897 -3.865 1.00 12.00 C ATOM 211 O ASN A 13 -14.496 -9.078 -3.546 1.00 12.00 O ATOM 212 CB ASN A 13 -12.006 -8.145 -4.397 1.00 12.00 C ATOM 213 CG ASN A 13 -11.784 -9.073 -3.197 1.00 12.00 C ATOM 214 OD1 ASN A 13 -11.273 -8.659 -2.176 1.00 12.00 O ATOM 215 ND2 ASN A 13 -12.140 -10.325 -3.286 1.00 12.00 N ATOM 0 H ASN A 13 -11.959 -6.669 -2.395 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.276 -6.493 -4.957 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -12.251 -8.734 -5.281 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -11.088 -7.602 -4.620 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -11.989 -10.955 -2.498 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -12.569 -10.673 -4.143 1.00 12.00 H new ATOM 222 N THR A 14 -15.562 -7.197 -4.044 1.00 12.00 N ATOM 223 CA THR A 14 -16.920 -7.796 -3.870 1.00 12.00 C ATOM 224 C THR A 14 -17.886 -7.039 -4.818 1.00 12.00 C ATOM 225 O THR A 14 -18.839 -6.420 -4.365 1.00 12.00 O ATOM 226 CB THR A 14 -17.361 -7.646 -2.403 1.00 12.00 C ATOM 227 OG1 THR A 14 -16.997 -6.355 -1.926 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.685 -8.722 -1.549 1.00 12.00 C ATOM 0 H THR A 14 -15.569 -6.212 -4.310 1.00 12.00 H new ATOM 0 HA THR A 14 -16.919 -8.859 -4.113 1.00 12.00 H new ATOM 0 HB THR A 14 -18.443 -7.763 -2.337 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.554 -5.676 -2.362 1.00 12.00 H new ATOM 0 HG21 THR A 14 -16.999 -8.613 -0.511 1.00 12.00 H new ATOM 0 HG22 THR A 14 -16.971 -9.709 -1.913 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.603 -8.611 -1.614 1.00 12.00 H new ATOM 236 N PRO A 15 -17.600 -7.082 -6.121 1.00 12.00 N ATOM 237 CA PRO A 15 -18.421 -6.375 -7.125 1.00 12.00 C ATOM 238 C PRO A 15 -19.764 -7.089 -7.328 1.00 12.00 C ATOM 239 O PRO A 15 -19.929 -7.894 -8.234 1.00 12.00 O ATOM 240 CB PRO A 15 -17.562 -6.402 -8.395 1.00 12.00 C ATOM 241 CG PRO A 15 -16.578 -7.577 -8.228 1.00 12.00 C ATOM 242 CD PRO A 15 -16.460 -7.836 -6.717 1.00 12.00 C ATOM 0 HA PRO A 15 -18.676 -5.358 -6.828 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.182 -6.537 -9.281 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -17.026 -5.461 -8.522 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -16.942 -8.464 -8.746 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.606 -7.333 -8.657 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.525 -8.900 -6.490 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.504 -7.485 -6.327 1.00 12.00 H new ATOM 250 N ILE A 16 -20.721 -6.781 -6.484 1.00 12.00 N ATOM 251 CA ILE A 16 -22.078 -7.398 -6.586 1.00 12.00 C ATOM 252 C ILE A 16 -23.114 -6.272 -6.675 1.00 12.00 C ATOM 253 O ILE A 16 -22.761 -5.118 -6.868 1.00 12.00 O ATOM 254 CB ILE A 16 -22.338 -8.281 -5.356 1.00 12.00 C ATOM 255 CG1 ILE A 16 -21.976 -7.518 -4.075 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.474 -9.541 -5.452 1.00 12.00 C ATOM 257 CD1 ILE A 16 -22.341 -8.359 -2.845 1.00 12.00 C ATOM 0 H ILE A 16 -20.615 -6.117 -5.717 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.147 -8.026 -7.474 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.393 -8.552 -5.325 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.910 -7.289 -4.067 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -22.507 -6.566 -4.046 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -21.654 -10.172 -4.582 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -21.731 -10.090 -6.358 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.422 -9.259 -5.485 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -22.081 -7.811 -1.939 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -23.411 -8.565 -2.850 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -21.790 -9.299 -2.871 1.00 12.00 H new ATOM 269 N ILE A 17 -24.382 -6.594 -6.553 1.00 12.00 N ATOM 270 CA ILE A 17 -25.451 -5.535 -6.645 1.00 12.00 C ATOM 271 C ILE A 17 -25.870 -5.106 -5.228 1.00 12.00 C ATOM 272 O ILE A 17 -27.025 -4.789 -4.976 1.00 12.00 O ATOM 273 CB ILE A 17 -26.679 -6.063 -7.428 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.278 -7.156 -8.440 1.00 12.00 C ATOM 275 CG2 ILE A 17 -27.316 -4.905 -8.191 1.00 12.00 C ATOM 276 CD1 ILE A 17 -25.177 -6.642 -9.376 1.00 12.00 C ATOM 0 H ILE A 17 -24.726 -7.541 -6.394 1.00 12.00 H new ATOM 0 HA ILE A 17 -25.050 -4.675 -7.181 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.379 -6.494 -6.712 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -25.928 -8.041 -7.909 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -27.148 -7.457 -9.023 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -28.182 -5.267 -8.746 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -27.632 -4.135 -7.487 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -26.590 -4.484 -8.886 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -24.906 -7.426 -10.084 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -25.540 -5.771 -9.921 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -24.301 -6.364 -8.789 1.00 12.00 H new ATOM 288 N ASN A 18 -24.926 -5.092 -4.306 1.00 12.00 N ATOM 289 CA ASN A 18 -25.234 -4.687 -2.890 1.00 12.00 C ATOM 290 C ASN A 18 -23.994 -4.045 -2.245 1.00 12.00 C ATOM 291 O ASN A 18 -23.102 -4.738 -1.774 1.00 12.00 O ATOM 292 CB ASN A 18 -25.634 -5.929 -2.085 1.00 12.00 C ATOM 293 CG ASN A 18 -26.722 -6.707 -2.829 1.00 12.00 C ATOM 294 OD1 ASN A 18 -27.900 -6.170 -2.983 1.00 12.00 O flip ATOM 295 ND2 ASN A 18 -26.496 -7.816 -3.271 1.00 12.00 N flip ATOM 0 H ASN A 18 -23.953 -5.345 -4.476 1.00 12.00 H new ATOM 0 HA ASN A 18 -26.051 -3.966 -2.894 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.764 -6.566 -1.927 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.996 -5.633 -1.100 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -25.574 -8.235 -3.150 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -27.228 -8.328 -3.763 1.00 12.00 H new ATOM 302 N CYS A 19 -23.939 -2.725 -2.219 1.00 12.00 N ATOM 303 CA CYS A 19 -22.759 -2.018 -1.595 1.00 12.00 C ATOM 304 C CYS A 19 -22.911 -1.951 -0.062 1.00 12.00 C ATOM 305 O CYS A 19 -22.017 -1.471 0.619 1.00 12.00 O ATOM 306 CB CYS A 19 -22.632 -0.584 -2.144 1.00 12.00 C ATOM 307 SG CYS A 19 -22.600 -0.613 -3.956 1.00 12.00 S ATOM 0 H CYS A 19 -24.657 -2.109 -2.601 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.864 -2.586 -1.847 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.469 0.022 -1.797 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.722 -0.120 -1.764 1.00 12.00 H new ATOM 312 N ASN A 20 -24.032 -2.407 0.485 1.00 12.00 N ATOM 313 CA ASN A 20 -24.235 -2.348 1.981 1.00 12.00 C ATOM 314 C ASN A 20 -23.596 -3.560 2.678 1.00 12.00 C ATOM 315 O ASN A 20 -22.755 -3.395 3.547 1.00 12.00 O ATOM 316 CB ASN A 20 -25.736 -2.269 2.333 1.00 12.00 C ATOM 317 CG ASN A 20 -26.564 -3.229 1.468 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.807 -4.356 1.852 1.00 12.00 O ATOM 319 ND2 ASN A 20 -27.031 -2.819 0.320 1.00 12.00 N ATOM 0 H ASN A 20 -24.807 -2.814 -0.039 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.743 -1.444 2.340 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -25.878 -2.511 3.386 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -26.092 -1.249 2.190 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.598 -3.444 -0.252 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -26.829 -1.873 -0.005 1.00 12.00 H new ATOM 326 N THR A 21 -23.997 -4.764 2.319 1.00 12.00 N ATOM 327 CA THR A 21 -23.430 -5.989 2.978 1.00 12.00 C ATOM 328 C THR A 21 -21.911 -6.040 2.777 1.00 12.00 C ATOM 329 O THR A 21 -21.205 -6.625 3.582 1.00 12.00 O ATOM 330 CB THR A 21 -24.088 -7.260 2.407 1.00 12.00 C ATOM 331 OG1 THR A 21 -25.457 -7.002 2.125 1.00 12.00 O ATOM 332 CG2 THR A 21 -23.987 -8.383 3.438 1.00 12.00 C ATOM 0 H THR A 21 -24.693 -4.949 1.597 1.00 12.00 H new ATOM 0 HA THR A 21 -23.642 -5.941 4.046 1.00 12.00 H new ATOM 0 HB THR A 21 -23.579 -7.554 1.489 1.00 12.00 H new ATOM 0 HG1 THR A 21 -25.874 -7.810 1.760 1.00 12.00 H new ATOM 0 HG21 THR A 21 -24.451 -9.285 3.040 1.00 12.00 H new ATOM 0 HG22 THR A 21 -22.938 -8.581 3.658 1.00 12.00 H new ATOM 0 HG23 THR A 21 -24.500 -8.085 4.352 1.00 12.00 H new ATOM 340 N ILE A 22 -21.404 -5.426 1.720 1.00 12.00 N ATOM 341 CA ILE A 22 -19.926 -5.429 1.472 1.00 12.00 C ATOM 342 C ILE A 22 -19.272 -4.277 2.246 1.00 12.00 C ATOM 343 O ILE A 22 -18.138 -4.381 2.685 1.00 12.00 O ATOM 344 CB ILE A 22 -19.654 -5.304 -0.032 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.150 -3.954 -0.559 1.00 12.00 C ATOM 346 CG2 ILE A 22 -20.395 -6.424 -0.763 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.645 -3.757 -1.989 1.00 12.00 C ATOM 0 H ILE A 22 -21.956 -4.925 1.023 1.00 12.00 H new ATOM 0 HA ILE A 22 -19.496 -6.367 1.822 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.580 -5.377 -0.205 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.239 -3.919 -0.537 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -19.792 -3.147 0.080 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -20.209 -6.345 -1.834 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -20.041 -7.390 -0.403 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -21.465 -6.337 -0.573 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.995 -2.797 -2.370 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.555 -3.774 -1.996 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -20.024 -4.559 -2.623 1.00 12.00 H new ATOM 359 N MET A 23 -19.989 -3.183 2.409 1.00 12.00 N ATOM 360 CA MET A 23 -19.447 -2.000 3.148 1.00 12.00 C ATOM 361 C MET A 23 -20.012 -1.971 4.579 1.00 12.00 C ATOM 362 O MET A 23 -20.002 -0.938 5.231 1.00 12.00 O ATOM 363 CB MET A 23 -19.856 -0.723 2.409 1.00 12.00 C ATOM 364 CG MET A 23 -18.971 0.438 2.863 1.00 12.00 C ATOM 365 SD MET A 23 -19.890 1.990 2.711 1.00 12.00 S ATOM 366 CE MET A 23 -21.043 1.711 4.077 1.00 12.00 C ATOM 0 H MET A 23 -20.938 -3.063 2.055 1.00 12.00 H new ATOM 0 HA MET A 23 -18.360 -2.068 3.199 1.00 12.00 H new ATOM 0 HB2 MET A 23 -19.760 -0.867 1.333 1.00 12.00 H new ATOM 0 HB3 MET A 23 -20.903 -0.495 2.608 1.00 12.00 H new ATOM 0 HG2 MET A 23 -18.657 0.288 3.896 1.00 12.00 H new ATOM 0 HG3 MET A 23 -18.066 0.478 2.257 1.00 12.00 H new ATOM 0 HE1 MET A 23 -21.621 2.618 4.257 1.00 12.00 H new ATOM 0 HE2 MET A 23 -21.719 0.895 3.822 1.00 12.00 H new ATOM 0 HE3 MET A 23 -20.485 1.452 4.977 1.00 12.00 H new ATOM 376 N ASP A 24 -20.493 -3.100 5.070 1.00 12.00 N ATOM 377 CA ASP A 24 -21.056 -3.159 6.462 1.00 12.00 C ATOM 378 C ASP A 24 -19.894 -3.115 7.473 1.00 12.00 C ATOM 379 O ASP A 24 -19.395 -4.144 7.906 1.00 12.00 O ATOM 380 CB ASP A 24 -21.856 -4.466 6.629 1.00 12.00 C ATOM 381 CG ASP A 24 -23.317 -4.300 6.156 1.00 12.00 C ATOM 382 OD1 ASP A 24 -23.717 -3.192 5.821 1.00 12.00 O ATOM 383 OD2 ASP A 24 -24.020 -5.298 6.148 1.00 12.00 O ATOM 0 H ASP A 24 -20.518 -3.984 4.561 1.00 12.00 H new ATOM 0 HA ASP A 24 -21.719 -2.311 6.638 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -21.377 -5.262 6.060 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -21.844 -4.770 7.676 1.00 12.00 H new ATOM 388 N ASN A 25 -19.458 -1.924 7.838 1.00 12.00 N ATOM 389 CA ASN A 25 -18.326 -1.780 8.809 1.00 12.00 C ATOM 390 C ASN A 25 -18.294 -0.353 9.349 1.00 12.00 C ATOM 391 O ASN A 25 -18.624 0.589 8.646 1.00 12.00 O ATOM 392 CB ASN A 25 -16.998 -2.074 8.097 1.00 12.00 C ATOM 393 CG ASN A 25 -15.835 -2.117 9.103 1.00 12.00 C ATOM 394 OD1 ASN A 25 -16.030 -2.319 10.289 1.00 12.00 O ATOM 395 ND2 ASN A 25 -14.618 -1.939 8.672 1.00 12.00 N ATOM 0 H ASN A 25 -19.844 -1.043 7.500 1.00 12.00 H new ATOM 0 HA ASN A 25 -18.467 -2.482 9.631 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -17.065 -3.027 7.572 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -16.806 -1.308 7.345 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -13.836 -1.969 9.326 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -14.448 -1.770 7.681 1.00 12.00 H new ATOM 402 N ASN A 26 -17.879 -0.194 10.587 1.00 12.00 N ATOM 403 CA ASN A 26 -17.794 1.172 11.200 1.00 12.00 C ATOM 404 C ASN A 26 -16.635 1.962 10.564 1.00 12.00 C ATOM 405 O ASN A 26 -16.496 3.148 10.814 1.00 12.00 O ATOM 406 CB ASN A 26 -17.563 1.045 12.709 1.00 12.00 C ATOM 407 CG ASN A 26 -16.368 0.132 12.972 1.00 12.00 C ATOM 408 OD1 ASN A 26 -15.234 0.569 12.932 1.00 12.00 O ATOM 409 ND2 ASN A 26 -16.573 -1.128 13.239 1.00 12.00 N ATOM 0 H ASN A 26 -17.594 -0.957 11.201 1.00 12.00 H new ATOM 0 HA ASN A 26 -18.729 1.703 11.020 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -17.384 2.029 13.143 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -18.454 0.642 13.190 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -15.782 -1.747 13.414 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -17.524 -1.494 13.272 1.00 12.00 H new ATOM 416 N ILE A 27 -15.808 1.321 9.741 1.00 12.00 N ATOM 417 CA ILE A 27 -14.667 2.043 9.086 1.00 12.00 C ATOM 418 C ILE A 27 -15.150 2.723 7.775 1.00 12.00 C ATOM 419 O ILE A 27 -14.349 3.241 7.016 1.00 12.00 O ATOM 420 CB ILE A 27 -13.510 1.027 8.840 1.00 12.00 C ATOM 421 CG1 ILE A 27 -12.161 1.698 9.146 1.00 12.00 C ATOM 422 CG2 ILE A 27 -13.493 0.478 7.401 1.00 12.00 C ATOM 423 CD1 ILE A 27 -11.941 2.898 8.221 1.00 12.00 C ATOM 0 H ILE A 27 -15.883 0.332 9.503 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.291 2.837 9.731 1.00 12.00 H new ATOM 0 HB ILE A 27 -13.679 0.182 9.507 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -12.137 2.023 10.186 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -11.352 0.979 9.018 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -12.667 -0.224 7.289 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -14.434 -0.033 7.195 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -13.367 1.302 6.699 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -10.982 3.363 8.450 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -11.944 2.563 7.184 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -12.740 3.624 8.370 1.00 12.00 H new ATOM 435 N TYR A 28 -16.449 2.718 7.515 1.00 12.00 N ATOM 436 CA TYR A 28 -16.995 3.354 6.264 1.00 12.00 C ATOM 437 C TYR A 28 -18.261 4.181 6.617 1.00 12.00 C ATOM 438 O TYR A 28 -19.350 3.898 6.128 1.00 12.00 O ATOM 439 CB TYR A 28 -17.366 2.254 5.247 1.00 12.00 C ATOM 440 CG TYR A 28 -16.128 1.710 4.583 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.305 2.556 3.827 1.00 12.00 C ATOM 442 CD2 TYR A 28 -15.810 0.354 4.713 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.165 2.044 3.204 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.670 -0.158 4.087 1.00 12.00 C ATOM 445 CZ TYR A 28 -13.846 0.687 3.335 1.00 12.00 C ATOM 446 OH TYR A 28 -12.722 0.182 2.716 1.00 12.00 O ATOM 0 H TYR A 28 -17.154 2.298 8.121 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.241 4.010 5.830 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -17.899 1.448 5.752 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.041 2.660 4.494 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.552 3.603 3.726 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -16.445 -0.297 5.296 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.530 2.694 2.621 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -14.425 -1.205 4.184 1.00 12.00 H new ATOM 0 HH TYR A 28 -12.050 -0.045 3.392 1.00 12.00 H new ATOM 456 N ILE A 29 -18.142 5.191 7.476 1.00 12.00 N ATOM 457 CA ILE A 29 -19.354 5.999 7.857 1.00 12.00 C ATOM 458 C ILE A 29 -18.980 7.458 8.109 1.00 12.00 C ATOM 459 O ILE A 29 -17.873 7.773 8.513 1.00 12.00 O ATOM 460 CB ILE A 29 -19.976 5.432 9.138 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.173 3.917 8.997 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.333 6.107 9.378 1.00 12.00 C ATOM 463 CD1 ILE A 29 -20.707 3.344 10.312 1.00 12.00 C ATOM 0 H ILE A 29 -17.270 5.480 7.918 1.00 12.00 H new ATOM 0 HA ILE A 29 -20.065 5.945 7.032 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.313 5.626 9.981 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -20.870 3.705 8.186 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.228 3.440 8.738 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -21.782 5.709 10.288 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -21.191 7.182 9.484 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.992 5.910 8.532 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -20.846 2.268 10.210 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -19.994 3.543 11.112 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -21.662 3.812 10.552 1.00 12.00 H new ATOM 475 N VAL A 30 -19.932 8.334 7.896 1.00 12.00 N ATOM 476 CA VAL A 30 -19.728 9.804 8.137 1.00 12.00 C ATOM 477 C VAL A 30 -20.451 10.168 9.446 1.00 12.00 C ATOM 478 O VAL A 30 -21.198 9.360 9.980 1.00 12.00 O ATOM 479 CB VAL A 30 -20.326 10.579 6.949 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.095 12.081 7.119 1.00 12.00 C ATOM 481 CG2 VAL A 30 -19.646 10.115 5.661 1.00 12.00 C ATOM 0 H VAL A 30 -20.863 8.090 7.558 1.00 12.00 H new ATOM 0 HA VAL A 30 -18.671 10.057 8.224 1.00 12.00 H new ATOM 0 HB VAL A 30 -21.398 10.388 6.905 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -20.524 12.613 6.270 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -20.571 12.421 8.039 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -19.025 12.281 7.169 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -20.063 10.659 4.813 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -18.575 10.308 5.725 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -19.814 9.047 5.525 1.00 12.00 H new ATOM 491 N GLY A 31 -20.233 11.358 9.976 1.00 12.00 N ATOM 492 CA GLY A 31 -20.907 11.751 11.255 1.00 12.00 C ATOM 493 C GLY A 31 -22.231 12.437 10.929 1.00 12.00 C ATOM 494 O GLY A 31 -22.487 13.553 11.351 1.00 12.00 O ATOM 0 H GLY A 31 -19.619 12.067 9.576 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -21.081 10.871 11.874 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -20.266 12.422 11.827 1.00 12.00 H new ATOM 498 N GLY A 32 -23.071 11.754 10.179 1.00 12.00 N ATOM 499 CA GLY A 32 -24.402 12.309 9.795 1.00 12.00 C ATOM 500 C GLY A 32 -25.309 11.170 9.311 1.00 12.00 C ATOM 501 O GLY A 32 -26.386 10.965 9.847 1.00 12.00 O ATOM 0 H GLY A 32 -22.881 10.821 9.814 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -24.857 12.814 10.647 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -24.284 13.054 9.008 1.00 12.00 H new ATOM 505 N GLN A 33 -24.879 10.434 8.300 1.00 12.00 N ATOM 506 CA GLN A 33 -25.709 9.301 7.764 1.00 12.00 C ATOM 507 C GLN A 33 -24.849 8.424 6.852 1.00 12.00 C ATOM 508 O GLN A 33 -24.497 7.309 7.201 1.00 12.00 O ATOM 509 CB GLN A 33 -26.890 9.874 6.966 1.00 12.00 C ATOM 510 CG GLN A 33 -28.187 9.184 7.393 1.00 12.00 C ATOM 511 CD GLN A 33 -29.338 10.190 7.340 1.00 12.00 C ATOM 512 OE1 GLN A 33 -30.122 10.184 6.412 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.470 11.060 8.302 1.00 12.00 N ATOM 0 H GLN A 33 -23.987 10.573 7.825 1.00 12.00 H new ATOM 0 HA GLN A 33 -26.085 8.698 8.591 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -26.967 10.948 7.133 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -26.724 9.729 5.899 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.396 8.340 6.736 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -28.084 8.785 8.402 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -28.811 11.064 9.080 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -30.232 11.737 8.276 1.00 12.00 H new ATOM 522 N CYS A 34 -24.522 8.935 5.684 1.00 12.00 N ATOM 523 CA CYS A 34 -23.688 8.175 4.705 1.00 12.00 C ATOM 524 C CYS A 34 -22.949 9.172 3.813 1.00 12.00 C ATOM 525 O CYS A 34 -23.542 10.108 3.304 1.00 12.00 O ATOM 526 CB CYS A 34 -24.589 7.275 3.846 1.00 12.00 C ATOM 527 SG CYS A 34 -26.070 8.186 3.329 1.00 12.00 S ATOM 0 H CYS A 34 -24.805 9.862 5.368 1.00 12.00 H new ATOM 0 HA CYS A 34 -22.969 7.550 5.235 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -24.041 6.929 2.970 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -24.877 6.389 4.412 1.00 12.00 H new ATOM 532 N LYS A 35 -21.658 8.977 3.630 1.00 12.00 N ATOM 533 CA LYS A 35 -20.846 9.912 2.777 1.00 12.00 C ATOM 534 C LYS A 35 -21.459 10.002 1.377 1.00 12.00 C ATOM 535 O LYS A 35 -22.373 9.265 1.044 1.00 12.00 O ATOM 536 CB LYS A 35 -19.405 9.404 2.676 1.00 12.00 C ATOM 537 CG LYS A 35 -18.439 10.599 2.596 1.00 12.00 C ATOM 538 CD LYS A 35 -17.481 10.417 1.413 1.00 12.00 C ATOM 539 CE LYS A 35 -16.108 10.993 1.769 1.00 12.00 C ATOM 540 NZ LYS A 35 -16.072 12.444 1.429 1.00 12.00 N ATOM 0 H LYS A 35 -21.130 8.205 4.038 1.00 12.00 H new ATOM 0 HA LYS A 35 -20.847 10.902 3.234 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.165 8.787 3.542 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.292 8.773 1.794 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -19.002 11.525 2.480 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -17.873 10.683 3.524 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.390 9.359 1.166 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.878 10.918 0.530 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -15.908 10.853 2.831 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -15.327 10.462 1.225 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.139 12.834 1.671 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -16.245 12.566 0.411 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.807 12.945 1.968 1.00 12.00 H new ATOM 554 N ARG A 36 -20.963 10.916 0.573 1.00 12.00 N ATOM 555 CA ARG A 36 -21.503 11.103 -0.814 1.00 12.00 C ATOM 556 C ARG A 36 -20.900 10.087 -1.788 1.00 12.00 C ATOM 557 O ARG A 36 -21.315 10.036 -2.935 1.00 12.00 O ATOM 558 CB ARG A 36 -21.177 12.523 -1.293 1.00 12.00 C ATOM 559 CG ARG A 36 -19.654 12.738 -1.315 1.00 12.00 C ATOM 560 CD ARG A 36 -19.315 14.130 -0.773 1.00 12.00 C ATOM 561 NE ARG A 36 -18.789 14.008 0.617 1.00 12.00 N ATOM 562 CZ ARG A 36 -18.485 15.083 1.293 1.00 12.00 C ATOM 563 NH1 ARG A 36 -17.288 15.597 1.198 1.00 12.00 N ATOM 564 NH2 ARG A 36 -19.376 15.644 2.061 1.00 12.00 N ATOM 0 H ARG A 36 -20.200 11.546 0.821 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.582 10.949 -0.787 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -21.589 12.682 -2.290 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -21.646 13.254 -0.634 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -19.162 11.974 -0.713 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -19.278 12.633 -2.333 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -18.575 14.610 -1.413 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -20.203 14.762 -0.783 1.00 12.00 H new ATOM 0 HE ARG A 36 -18.667 13.087 1.039 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -16.591 15.159 0.596 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -17.050 16.437 1.726 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -20.311 15.243 2.134 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -19.138 16.484 2.589 1.00 12.00 H new ATOM 578 N VAL A 37 -19.932 9.292 -1.365 1.00 12.00 N ATOM 579 CA VAL A 37 -19.330 8.289 -2.310 1.00 12.00 C ATOM 580 C VAL A 37 -18.512 7.225 -1.563 1.00 12.00 C ATOM 581 O VAL A 37 -17.459 7.505 -1.012 1.00 12.00 O ATOM 582 CB VAL A 37 -18.443 9.015 -3.346 1.00 12.00 C ATOM 583 CG1 VAL A 37 -17.218 9.648 -2.674 1.00 12.00 C ATOM 584 CG2 VAL A 37 -17.973 8.005 -4.397 1.00 12.00 C ATOM 0 H VAL A 37 -19.541 9.295 -0.423 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.145 7.777 -2.822 1.00 12.00 H new ATOM 0 HB VAL A 37 -19.030 9.806 -3.812 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.611 10.152 -3.426 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.546 10.371 -1.927 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.626 8.871 -2.191 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -17.346 8.510 -5.132 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -17.399 7.215 -3.912 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.839 7.570 -4.896 1.00 12.00 H new ATOM 594 N ASN A 38 -18.977 5.995 -1.607 1.00 12.00 N ATOM 595 CA ASN A 38 -18.232 4.857 -0.981 1.00 12.00 C ATOM 596 C ASN A 38 -17.409 4.228 -2.106 1.00 12.00 C ATOM 597 O ASN A 38 -17.830 3.278 -2.756 1.00 12.00 O ATOM 598 CB ASN A 38 -19.201 3.821 -0.371 1.00 12.00 C ATOM 599 CG ASN A 38 -20.148 4.504 0.626 1.00 12.00 C ATOM 600 OD1 ASN A 38 -21.351 4.028 0.787 1.00 12.00 O flip ATOM 601 ND2 ASN A 38 -19.791 5.474 1.268 1.00 12.00 N flip ATOM 0 H ASN A 38 -19.853 5.731 -2.057 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.600 5.204 -0.164 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.778 3.342 -1.162 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.636 3.036 0.132 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -18.851 5.849 1.145 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -20.432 5.912 1.929 1.00 12.00 H new ATOM 608 N THR A 39 -16.265 4.814 -2.379 1.00 12.00 N ATOM 609 CA THR A 39 -15.406 4.342 -3.503 1.00 12.00 C ATOM 610 C THR A 39 -14.523 3.162 -3.089 1.00 12.00 C ATOM 611 O THR A 39 -13.640 3.286 -2.256 1.00 12.00 O ATOM 612 CB THR A 39 -14.516 5.493 -3.971 1.00 12.00 C ATOM 613 OG1 THR A 39 -15.305 6.666 -4.115 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.878 5.133 -5.312 1.00 12.00 C ATOM 0 H THR A 39 -15.890 5.609 -1.861 1.00 12.00 H new ATOM 0 HA THR A 39 -16.060 4.007 -4.308 1.00 12.00 H new ATOM 0 HB THR A 39 -13.730 5.671 -3.237 1.00 12.00 H new ATOM 0 HG1 THR A 39 -15.448 7.074 -3.236 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.243 5.954 -5.645 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.275 4.232 -5.198 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.660 4.956 -6.051 1.00 12.00 H new ATOM 622 N PHE A 40 -14.754 2.035 -3.714 1.00 12.00 N ATOM 623 CA PHE A 40 -13.944 0.799 -3.456 1.00 12.00 C ATOM 624 C PHE A 40 -12.987 0.619 -4.650 1.00 12.00 C ATOM 625 O PHE A 40 -13.205 1.221 -5.690 1.00 12.00 O ATOM 626 CB PHE A 40 -14.902 -0.398 -3.358 1.00 12.00 C ATOM 627 CG PHE A 40 -16.007 -0.095 -2.366 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.695 0.390 -1.086 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.344 -0.297 -2.727 1.00 12.00 C ATOM 630 CE1 PHE A 40 -16.720 0.671 -0.174 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.368 -0.018 -1.815 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.056 0.467 -0.540 1.00 12.00 C ATOM 0 H PHE A 40 -15.489 1.915 -4.411 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.375 0.875 -2.529 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.330 -0.614 -4.337 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.355 -1.288 -3.046 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.664 0.546 -0.805 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.586 -0.669 -3.712 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.480 1.045 0.811 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.399 -0.177 -2.095 1.00 12.00 H new ATOM 0 HZ PHE A 40 -18.847 0.684 0.163 1.00 12.00 H new ATOM 642 N ILE A 41 -11.932 -0.176 -4.528 1.00 12.00 N ATOM 643 CA ILE A 41 -10.991 -0.344 -5.690 1.00 12.00 C ATOM 644 C ILE A 41 -10.802 -1.832 -6.008 1.00 12.00 C ATOM 645 O ILE A 41 -10.438 -2.618 -5.150 1.00 12.00 O ATOM 646 CB ILE A 41 -9.641 0.311 -5.351 1.00 12.00 C ATOM 647 CG1 ILE A 41 -9.861 1.809 -5.104 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.663 0.137 -6.520 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.064 2.062 -3.610 1.00 12.00 C ATOM 0 H ILE A 41 -11.690 -0.703 -3.689 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.412 0.142 -6.570 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.226 -0.163 -4.461 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -9.003 2.376 -5.465 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -10.731 2.155 -5.663 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.710 0.604 -6.270 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.508 -0.925 -6.709 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.075 0.608 -7.412 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.220 3.127 -3.439 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -10.936 1.507 -3.262 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -9.182 1.732 -3.062 1.00 12.00 H new ATOM 661 N ILE A 42 -11.038 -2.204 -7.253 1.00 12.00 N ATOM 662 CA ILE A 42 -10.867 -3.636 -7.682 1.00 12.00 C ATOM 663 C ILE A 42 -9.438 -3.812 -8.178 1.00 12.00 C ATOM 664 O ILE A 42 -9.088 -3.323 -9.239 1.00 12.00 O ATOM 665 CB ILE A 42 -11.824 -3.999 -8.832 1.00 12.00 C ATOM 666 CG1 ILE A 42 -13.195 -3.353 -8.627 1.00 12.00 C ATOM 667 CG2 ILE A 42 -11.997 -5.517 -8.887 1.00 12.00 C ATOM 668 CD1 ILE A 42 -14.009 -3.475 -9.916 1.00 12.00 C ATOM 0 H ILE A 42 -11.343 -1.572 -7.993 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.086 -4.283 -6.833 1.00 12.00 H new ATOM 0 HB ILE A 42 -11.396 -3.630 -9.764 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -13.720 -3.839 -7.805 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -13.078 -2.304 -8.355 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -12.674 -5.777 -9.701 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -11.029 -5.988 -9.057 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -12.412 -5.870 -7.943 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -14.987 -3.016 -9.774 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -13.485 -2.969 -10.727 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.136 -4.528 -10.168 1.00 12.00 H new ATOM 680 N SER A 43 -8.618 -4.501 -7.417 1.00 12.00 N ATOM 681 CA SER A 43 -7.190 -4.715 -7.827 1.00 12.00 C ATOM 682 C SER A 43 -6.447 -5.495 -6.743 1.00 12.00 C ATOM 683 O SER A 43 -6.768 -5.394 -5.570 1.00 12.00 O ATOM 684 CB SER A 43 -6.502 -3.355 -8.021 1.00 12.00 C ATOM 685 OG SER A 43 -5.135 -3.558 -8.352 1.00 12.00 O ATOM 0 H SER A 43 -8.877 -4.926 -6.527 1.00 12.00 H new ATOM 0 HA SER A 43 -7.171 -5.279 -8.760 1.00 12.00 H new ATOM 0 HB2 SER A 43 -6.999 -2.794 -8.812 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.582 -2.762 -7.110 1.00 12.00 H new ATOM 0 HG SER A 43 -4.603 -2.804 -8.022 1.00 12.00 H new ATOM 691 N SER A 44 -5.444 -6.251 -7.137 1.00 12.00 N ATOM 692 CA SER A 44 -4.640 -7.038 -6.151 1.00 12.00 C ATOM 693 C SER A 44 -3.869 -6.052 -5.271 1.00 12.00 C ATOM 694 O SER A 44 -3.226 -5.143 -5.767 1.00 12.00 O ATOM 695 CB SER A 44 -3.663 -7.957 -6.897 1.00 12.00 C ATOM 696 OG SER A 44 -3.047 -7.227 -7.948 1.00 12.00 O ATOM 0 H SER A 44 -5.149 -6.355 -8.108 1.00 12.00 H new ATOM 0 HA SER A 44 -5.292 -7.656 -5.534 1.00 12.00 H new ATOM 0 HB2 SER A 44 -2.907 -8.338 -6.211 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.192 -8.821 -7.299 1.00 12.00 H new ATOM 0 HG SER A 44 -2.956 -6.288 -7.684 1.00 12.00 H new ATOM 702 N ALA A 45 -3.958 -6.214 -3.970 1.00 12.00 N ATOM 703 CA ALA A 45 -3.266 -5.287 -3.016 1.00 12.00 C ATOM 704 C ALA A 45 -1.785 -5.119 -3.378 1.00 12.00 C ATOM 705 O ALA A 45 -1.181 -4.112 -3.049 1.00 12.00 O ATOM 706 CB ALA A 45 -3.375 -5.862 -1.602 1.00 12.00 C ATOM 0 H ALA A 45 -4.489 -6.961 -3.523 1.00 12.00 H new ATOM 0 HA ALA A 45 -3.744 -4.309 -3.073 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -2.875 -5.196 -0.899 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.426 -5.957 -1.328 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -2.902 -6.844 -1.571 1.00 12.00 H new ATOM 712 N THR A 46 -1.197 -6.103 -4.026 1.00 12.00 N ATOM 713 CA THR A 46 0.259 -6.018 -4.382 1.00 12.00 C ATOM 714 C THR A 46 0.488 -5.195 -5.662 1.00 12.00 C ATOM 715 O THR A 46 1.483 -4.494 -5.758 1.00 12.00 O ATOM 716 CB THR A 46 0.836 -7.426 -4.512 1.00 12.00 C ATOM 717 OG1 THR A 46 2.204 -7.345 -4.887 1.00 12.00 O ATOM 718 CG2 THR A 46 0.064 -8.235 -5.559 1.00 12.00 C ATOM 0 H THR A 46 -1.663 -6.960 -4.323 1.00 12.00 H new ATOM 0 HA THR A 46 0.781 -5.495 -3.581 1.00 12.00 H new ATOM 0 HB THR A 46 0.745 -7.929 -3.549 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.575 -8.248 -4.969 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.492 -9.234 -5.635 1.00 12.00 H new ATOM 0 HG22 THR A 46 -0.982 -8.310 -5.262 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.132 -7.737 -6.526 1.00 12.00 H new ATOM 726 N THR A 47 -0.426 -5.228 -6.626 1.00 12.00 N ATOM 727 CA THR A 47 -0.250 -4.390 -7.865 1.00 12.00 C ATOM 728 C THR A 47 -0.253 -2.931 -7.423 1.00 12.00 C ATOM 729 O THR A 47 0.511 -2.110 -7.919 1.00 12.00 O ATOM 730 CB THR A 47 -1.395 -4.631 -8.853 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.611 -4.796 -8.145 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.105 -5.884 -9.679 1.00 12.00 C ATOM 0 H THR A 47 -1.274 -5.794 -6.603 1.00 12.00 H new ATOM 0 HA THR A 47 0.681 -4.651 -8.367 1.00 12.00 H new ATOM 0 HB THR A 47 -1.482 -3.773 -9.519 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.497 -4.486 -7.222 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.921 -6.054 -10.381 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.174 -5.749 -10.230 1.00 12.00 H new ATOM 0 HG23 THR A 47 -1.013 -6.744 -9.016 1.00 12.00 H new ATOM 740 N VAL A 48 -1.089 -2.627 -6.452 1.00 12.00 N ATOM 741 CA VAL A 48 -1.145 -1.245 -5.898 1.00 12.00 C ATOM 742 C VAL A 48 0.181 -0.986 -5.173 1.00 12.00 C ATOM 743 O VAL A 48 0.695 0.118 -5.171 1.00 12.00 O ATOM 744 CB VAL A 48 -2.300 -1.125 -4.895 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.401 0.321 -4.391 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.616 -1.523 -5.572 1.00 12.00 C ATOM 0 H VAL A 48 -1.736 -3.287 -6.022 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.304 -0.523 -6.699 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.111 -1.789 -4.052 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.222 0.402 -3.679 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.468 0.602 -3.902 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.584 0.988 -5.233 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.434 -1.437 -4.857 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -3.804 -0.863 -6.419 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.548 -2.553 -5.923 1.00 12.00 H new ATOM 756 N LYS A 49 0.732 -2.021 -4.563 1.00 12.00 N ATOM 757 CA LYS A 49 2.032 -1.892 -3.829 1.00 12.00 C ATOM 758 C LYS A 49 3.124 -1.420 -4.797 1.00 12.00 C ATOM 759 O LYS A 49 4.115 -0.844 -4.378 1.00 12.00 O ATOM 760 CB LYS A 49 2.423 -3.252 -3.230 1.00 12.00 C ATOM 761 CG LYS A 49 3.554 -3.065 -2.216 1.00 12.00 C ATOM 762 CD LYS A 49 4.445 -4.310 -2.212 1.00 12.00 C ATOM 763 CE LYS A 49 5.607 -4.116 -3.191 1.00 12.00 C ATOM 764 NZ LYS A 49 6.829 -3.716 -2.439 1.00 12.00 N ATOM 0 H LYS A 49 0.327 -2.957 -4.546 1.00 12.00 H new ATOM 0 HA LYS A 49 1.923 -1.163 -3.026 1.00 12.00 H new ATOM 0 HB2 LYS A 49 1.560 -3.708 -2.746 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.740 -3.931 -4.022 1.00 12.00 H new ATOM 0 HG2 LYS A 49 4.143 -2.184 -2.470 1.00 12.00 H new ATOM 0 HG3 LYS A 49 3.141 -2.897 -1.221 1.00 12.00 H new ATOM 0 HD2 LYS A 49 4.829 -4.491 -1.208 1.00 12.00 H new ATOM 0 HD3 LYS A 49 3.862 -5.187 -2.493 1.00 12.00 H new ATOM 0 HE2 LYS A 49 5.791 -5.039 -3.741 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.353 -3.352 -3.926 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 7.618 -3.584 -3.104 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 6.650 -2.825 -1.934 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 7.074 -4.459 -1.754 1.00 12.00 H new ATOM 778 N ALA A 50 2.945 -1.659 -6.087 1.00 12.00 N ATOM 779 CA ALA A 50 3.961 -1.228 -7.096 1.00 12.00 C ATOM 780 C ALA A 50 3.761 0.258 -7.433 1.00 12.00 C ATOM 781 O ALA A 50 4.727 0.982 -7.608 1.00 12.00 O ATOM 782 CB ALA A 50 3.826 -2.082 -8.368 1.00 12.00 C ATOM 0 H ALA A 50 2.132 -2.137 -6.476 1.00 12.00 H new ATOM 0 HA ALA A 50 4.960 -1.365 -6.682 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.568 -1.764 -9.100 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.987 -3.131 -8.120 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.827 -1.957 -8.786 1.00 12.00 H new ATOM 788 N ILE A 51 2.518 0.715 -7.526 1.00 12.00 N ATOM 789 CA ILE A 51 2.258 2.161 -7.857 1.00 12.00 C ATOM 790 C ILE A 51 2.756 3.080 -6.722 1.00 12.00 C ATOM 791 O ILE A 51 2.958 4.266 -6.930 1.00 12.00 O ATOM 792 CB ILE A 51 0.748 2.372 -8.101 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.519 3.769 -8.689 1.00 12.00 C ATOM 794 CG2 ILE A 51 -0.053 2.222 -6.796 1.00 12.00 C ATOM 795 CD1 ILE A 51 0.886 3.764 -10.173 1.00 12.00 C ATOM 0 H ILE A 51 1.681 0.148 -7.387 1.00 12.00 H new ATOM 0 HA ILE A 51 2.806 2.420 -8.763 1.00 12.00 H new ATOM 0 HB ILE A 51 0.402 1.611 -8.801 1.00 12.00 H new ATOM 0 HG12 ILE A 51 -0.523 4.062 -8.562 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.124 4.503 -8.156 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -1.113 2.376 -7.000 1.00 12.00 H new ATOM 0 HG22 ILE A 51 0.097 1.222 -6.390 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.289 2.962 -6.072 1.00 12.00 H new ATOM 0 HD11 ILE A 51 0.723 4.757 -10.591 1.00 12.00 H new ATOM 0 HD12 ILE A 51 1.935 3.489 -10.288 1.00 12.00 H new ATOM 0 HD13 ILE A 51 0.262 3.042 -10.700 1.00 12.00 H new ATOM 807 N CYS A 52 2.937 2.542 -5.527 1.00 12.00 N ATOM 808 CA CYS A 52 3.399 3.372 -4.371 1.00 12.00 C ATOM 809 C CYS A 52 4.851 3.017 -4.000 1.00 12.00 C ATOM 810 O CYS A 52 5.281 3.252 -2.881 1.00 12.00 O ATOM 811 CB CYS A 52 2.474 3.111 -3.172 1.00 12.00 C ATOM 812 SG CYS A 52 1.889 4.684 -2.489 1.00 12.00 S ATOM 0 H CYS A 52 2.781 1.558 -5.310 1.00 12.00 H new ATOM 0 HA CYS A 52 3.364 4.426 -4.645 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.625 2.502 -3.482 1.00 12.00 H new ATOM 0 HB3 CYS A 52 3.007 2.548 -2.406 1.00 12.00 H new ATOM 817 N THR A 53 5.604 2.466 -4.933 1.00 12.00 N ATOM 818 CA THR A 53 7.033 2.101 -4.649 1.00 12.00 C ATOM 819 C THR A 53 7.928 3.319 -4.897 1.00 12.00 C ATOM 820 O THR A 53 8.085 3.755 -6.026 1.00 12.00 O ATOM 821 CB THR A 53 7.475 0.956 -5.566 1.00 12.00 C ATOM 822 OG1 THR A 53 6.522 -0.096 -5.509 1.00 12.00 O ATOM 823 CG2 THR A 53 8.839 0.439 -5.105 1.00 12.00 C ATOM 0 H THR A 53 5.287 2.254 -5.879 1.00 12.00 H new ATOM 0 HA THR A 53 7.119 1.783 -3.610 1.00 12.00 H new ATOM 0 HB THR A 53 7.549 1.317 -6.592 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.865 0.095 -4.807 1.00 12.00 H new ATOM 0 HG21 THR A 53 9.158 -0.376 -5.755 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.569 1.247 -5.152 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.763 0.077 -4.080 1.00 12.00 H new ATOM 831 N GLY A 54 8.513 3.863 -3.846 1.00 12.00 N ATOM 832 CA GLY A 54 9.407 5.058 -3.995 1.00 12.00 C ATOM 833 C GLY A 54 10.335 5.182 -2.779 1.00 12.00 C ATOM 834 O GLY A 54 11.542 5.047 -2.903 1.00 12.00 O ATOM 0 H GLY A 54 8.406 3.526 -2.889 1.00 12.00 H new ATOM 0 HA2 GLY A 54 9.999 4.967 -4.906 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.805 5.961 -4.096 1.00 12.00 H new ATOM 838 N VAL A 55 9.779 5.441 -1.611 1.00 12.00 N ATOM 839 CA VAL A 55 10.608 5.582 -0.370 1.00 12.00 C ATOM 840 C VAL A 55 9.685 5.387 0.860 1.00 12.00 C ATOM 841 O VAL A 55 8.587 4.873 0.718 1.00 12.00 O ATOM 842 CB VAL A 55 11.315 6.966 -0.406 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.391 8.096 0.074 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.586 6.931 0.459 1.00 12.00 C ATOM 0 H VAL A 55 8.776 5.561 -1.468 1.00 12.00 H new ATOM 0 HA VAL A 55 11.390 4.826 -0.305 1.00 12.00 H new ATOM 0 HB VAL A 55 11.580 7.171 -1.443 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.925 9.045 0.033 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.512 8.146 -0.569 1.00 12.00 H new ATOM 0 HG13 VAL A 55 10.079 7.900 1.100 1.00 12.00 H new ATOM 0 HG21 VAL A 55 13.074 7.905 0.428 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.319 6.692 1.488 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.267 6.171 0.075 1.00 12.00 H new ATOM 854 N ILE A 56 10.117 5.762 2.057 1.00 12.00 N ATOM 855 CA ILE A 56 9.259 5.565 3.277 1.00 12.00 C ATOM 856 C ILE A 56 8.363 6.806 3.532 1.00 12.00 C ATOM 857 O ILE A 56 7.990 7.084 4.656 1.00 12.00 O ATOM 858 CB ILE A 56 10.183 5.284 4.481 1.00 12.00 C ATOM 859 CG1 ILE A 56 9.359 4.747 5.658 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.922 6.561 4.907 1.00 12.00 C ATOM 861 CD1 ILE A 56 10.296 4.257 6.770 1.00 12.00 C ATOM 0 H ILE A 56 11.024 6.194 2.235 1.00 12.00 H new ATOM 0 HA ILE A 56 8.590 4.718 3.126 1.00 12.00 H new ATOM 0 HB ILE A 56 10.919 4.538 4.183 1.00 12.00 H new ATOM 0 HG12 ILE A 56 8.703 5.529 6.041 1.00 12.00 H new ATOM 0 HG13 ILE A 56 8.719 3.930 5.323 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.568 6.341 5.757 1.00 12.00 H new ATOM 0 HG22 ILE A 56 11.527 6.926 4.077 1.00 12.00 H new ATOM 0 HG23 ILE A 56 10.197 7.324 5.190 1.00 12.00 H new ATOM 0 HD11 ILE A 56 9.705 3.877 7.603 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.933 3.461 6.384 1.00 12.00 H new ATOM 0 HD13 ILE A 56 10.917 5.084 7.114 1.00 12.00 H new ATOM 873 N ASN A 57 8.022 7.531 2.484 1.00 12.00 N ATOM 874 CA ASN A 57 7.154 8.763 2.594 1.00 12.00 C ATOM 875 C ASN A 57 7.140 9.442 1.222 1.00 12.00 C ATOM 876 O ASN A 57 8.178 9.877 0.749 1.00 12.00 O ATOM 877 CB ASN A 57 7.746 9.751 3.603 1.00 12.00 C ATOM 878 CG ASN A 57 6.663 10.737 4.043 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.041 11.379 3.220 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.406 10.885 5.314 1.00 12.00 N ATOM 0 H ASN A 57 8.316 7.315 1.531 1.00 12.00 H new ATOM 0 HA ASN A 57 6.154 8.476 2.920 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.138 9.214 4.467 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.582 10.288 3.155 1.00 12.00 H new ATOM 0 HD21 ASN A 57 5.684 11.539 5.615 1.00 12.00 H new ATOM 0 HD22 ASN A 57 6.927 10.347 6.006 1.00 12.00 H new ATOM 887 N MET A 58 5.993 9.523 0.573 1.00 12.00 N ATOM 888 CA MET A 58 5.945 10.166 -0.786 1.00 12.00 C ATOM 889 C MET A 58 4.512 10.520 -1.196 1.00 12.00 C ATOM 890 O MET A 58 3.553 10.224 -0.502 1.00 12.00 O ATOM 891 CB MET A 58 6.531 9.189 -1.816 1.00 12.00 C ATOM 892 CG MET A 58 7.989 9.554 -2.120 1.00 12.00 C ATOM 893 SD MET A 58 8.153 9.961 -3.877 1.00 12.00 S ATOM 894 CE MET A 58 9.553 8.874 -4.240 1.00 12.00 C ATOM 0 H MET A 58 5.100 9.176 0.922 1.00 12.00 H new ATOM 0 HA MET A 58 6.524 11.089 -0.747 1.00 12.00 H new ATOM 0 HB2 MET A 58 6.475 8.170 -1.434 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.942 9.219 -2.733 1.00 12.00 H new ATOM 0 HG2 MET A 58 8.298 10.402 -1.509 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.645 8.721 -1.865 1.00 12.00 H new ATOM 0 HE1 MET A 58 9.462 8.491 -5.256 1.00 12.00 H new ATOM 0 HE2 MET A 58 10.483 9.435 -4.145 1.00 12.00 H new ATOM 0 HE3 MET A 58 9.558 8.041 -3.537 1.00 12.00 H new ATOM 904 N ASN A 59 4.392 11.128 -2.354 1.00 12.00 N ATOM 905 CA ASN A 59 3.062 11.513 -2.928 1.00 12.00 C ATOM 906 C ASN A 59 3.061 11.072 -4.396 1.00 12.00 C ATOM 907 O ASN A 59 3.821 11.595 -5.196 1.00 12.00 O ATOM 908 CB ASN A 59 2.890 13.035 -2.831 1.00 12.00 C ATOM 909 CG ASN A 59 1.460 13.421 -3.209 1.00 12.00 C ATOM 910 OD1 ASN A 59 1.121 13.477 -4.374 1.00 12.00 O ATOM 911 ND2 ASN A 59 0.603 13.698 -2.264 1.00 12.00 N ATOM 0 H ASN A 59 5.186 11.380 -2.942 1.00 12.00 H new ATOM 0 HA ASN A 59 2.243 11.040 -2.387 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.111 13.371 -1.818 1.00 12.00 H new ATOM 0 HB3 ASN A 59 3.598 13.533 -3.494 1.00 12.00 H new ATOM 0 HD21 ASN A 59 -0.353 13.962 -2.504 1.00 12.00 H new ATOM 0 HD22 ASN A 59 0.889 13.651 -1.286 1.00 12.00 H new ATOM 918 N VAL A 60 2.243 10.093 -4.746 1.00 12.00 N ATOM 919 CA VAL A 60 2.216 9.578 -6.153 1.00 12.00 C ATOM 920 C VAL A 60 0.767 9.490 -6.644 1.00 12.00 C ATOM 921 O VAL A 60 -0.153 9.629 -5.860 1.00 12.00 O ATOM 922 CB VAL A 60 2.878 8.186 -6.165 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.068 7.202 -5.311 1.00 12.00 C ATOM 924 CG2 VAL A 60 2.966 7.657 -7.596 1.00 12.00 C ATOM 0 H VAL A 60 1.593 9.631 -4.110 1.00 12.00 H new ATOM 0 HA VAL A 60 2.758 10.250 -6.818 1.00 12.00 H new ATOM 0 HB VAL A 60 3.882 8.280 -5.750 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.548 6.224 -5.329 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.022 7.564 -4.284 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.058 7.118 -5.712 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.435 6.673 -7.592 1.00 12.00 H new ATOM 0 HG22 VAL A 60 1.964 7.579 -8.017 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.562 8.341 -8.201 1.00 12.00 H new ATOM 934 N LEU A 61 0.562 9.276 -7.933 1.00 12.00 N ATOM 935 CA LEU A 61 -0.830 9.188 -8.476 1.00 12.00 C ATOM 936 C LEU A 61 -0.979 7.985 -9.404 1.00 12.00 C ATOM 937 O LEU A 61 -0.223 7.822 -10.348 1.00 12.00 O ATOM 938 CB LEU A 61 -1.157 10.453 -9.272 1.00 12.00 C ATOM 939 CG LEU A 61 -1.430 11.621 -8.314 1.00 12.00 C ATOM 940 CD1 LEU A 61 -0.244 12.589 -8.332 1.00 12.00 C ATOM 941 CD2 LEU A 61 -2.697 12.360 -8.756 1.00 12.00 C ATOM 0 H LEU A 61 1.302 9.160 -8.625 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.512 9.080 -7.632 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -0.327 10.701 -9.933 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -2.028 10.280 -9.904 1.00 12.00 H new ATOM 0 HG LEU A 61 -1.567 11.234 -7.304 1.00 12.00 H new ATOM 0 HD11 LEU A 61 -0.440 13.417 -7.651 1.00 12.00 H new ATOM 0 HD12 LEU A 61 0.658 12.065 -8.016 1.00 12.00 H new ATOM 0 HD13 LEU A 61 -0.104 12.975 -9.342 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -2.891 13.189 -8.076 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -2.560 12.744 -9.767 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -3.543 11.673 -8.741 1.00 12.00 H new ATOM 953 N SER A 62 -1.988 7.170 -9.160 1.00 12.00 N ATOM 954 CA SER A 62 -2.262 5.990 -10.044 1.00 12.00 C ATOM 955 C SER A 62 -2.580 6.547 -11.441 1.00 12.00 C ATOM 956 O SER A 62 -3.698 6.966 -11.701 1.00 12.00 O ATOM 957 CB SER A 62 -3.470 5.202 -9.509 1.00 12.00 C ATOM 958 OG SER A 62 -3.608 5.397 -8.105 1.00 12.00 O ATOM 0 H SER A 62 -2.636 7.277 -8.379 1.00 12.00 H new ATOM 0 HA SER A 62 -1.406 5.316 -10.074 1.00 12.00 H new ATOM 0 HB2 SER A 62 -4.378 5.526 -10.018 1.00 12.00 H new ATOM 0 HB3 SER A 62 -3.344 4.141 -9.725 1.00 12.00 H new ATOM 0 HG SER A 62 -4.276 4.773 -7.752 1.00 12.00 H new ATOM 964 N THR A 63 -1.589 6.604 -12.316 1.00 12.00 N ATOM 965 CA THR A 63 -1.796 7.184 -13.686 1.00 12.00 C ATOM 966 C THR A 63 -2.356 6.133 -14.644 1.00 12.00 C ATOM 967 O THR A 63 -3.292 6.402 -15.379 1.00 12.00 O ATOM 968 CB THR A 63 -0.460 7.705 -14.236 1.00 12.00 C ATOM 969 OG1 THR A 63 0.593 6.836 -13.838 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.192 9.115 -13.696 1.00 12.00 C ATOM 0 H THR A 63 -0.643 6.270 -12.134 1.00 12.00 H new ATOM 0 HA THR A 63 -2.511 8.003 -13.605 1.00 12.00 H new ATOM 0 HB THR A 63 -0.510 7.739 -15.324 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.444 7.170 -14.192 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.757 9.481 -14.089 1.00 12.00 H new ATOM 0 HG22 THR A 63 -0.995 9.783 -14.008 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.147 9.085 -12.607 1.00 12.00 H new ATOM 978 N THR A 64 -1.782 4.945 -14.650 1.00 12.00 N ATOM 979 CA THR A 64 -2.257 3.855 -15.568 1.00 12.00 C ATOM 980 C THR A 64 -3.783 3.663 -15.407 1.00 12.00 C ATOM 981 O THR A 64 -4.552 4.371 -16.035 1.00 12.00 O ATOM 982 CB THR A 64 -1.485 2.565 -15.246 1.00 12.00 C ATOM 983 OG1 THR A 64 -0.100 2.786 -15.471 1.00 12.00 O ATOM 984 CG2 THR A 64 -1.968 1.422 -16.142 1.00 12.00 C ATOM 0 H THR A 64 -0.998 4.685 -14.052 1.00 12.00 H new ATOM 0 HA THR A 64 -2.068 4.122 -16.608 1.00 12.00 H new ATOM 0 HB THR A 64 -1.657 2.294 -14.204 1.00 12.00 H new ATOM 0 HG1 THR A 64 0.399 1.968 -15.266 1.00 12.00 H new ATOM 0 HG21 THR A 64 -1.414 0.514 -15.904 1.00 12.00 H new ATOM 0 HG22 THR A 64 -3.031 1.252 -15.974 1.00 12.00 H new ATOM 0 HG23 THR A 64 -1.803 1.684 -17.187 1.00 12.00 H new ATOM 992 N ARG A 65 -4.221 2.730 -14.570 1.00 12.00 N ATOM 993 CA ARG A 65 -5.691 2.500 -14.359 1.00 12.00 C ATOM 994 C ARG A 65 -5.883 1.267 -13.469 1.00 12.00 C ATOM 995 O ARG A 65 -5.767 0.140 -13.926 1.00 12.00 O ATOM 996 CB ARG A 65 -6.395 2.263 -15.705 1.00 12.00 C ATOM 997 CG ARG A 65 -5.711 1.114 -16.459 1.00 12.00 C ATOM 998 CD ARG A 65 -5.373 1.550 -17.887 1.00 12.00 C ATOM 999 NE ARG A 65 -5.657 0.429 -18.824 1.00 12.00 N ATOM 1000 CZ ARG A 65 -4.973 0.315 -19.927 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -3.669 0.288 -19.886 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -5.594 0.229 -21.072 1.00 12.00 N ATOM 0 H ARG A 65 -3.613 2.119 -14.025 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.123 3.381 -13.883 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.446 2.025 -15.539 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.365 3.172 -16.306 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -4.802 0.816 -15.937 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.366 0.243 -16.482 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -5.961 2.426 -18.161 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -4.324 1.837 -17.953 1.00 12.00 H new ATOM 0 HE ARG A 65 -6.386 -0.249 -18.603 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -3.185 0.356 -18.991 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -3.133 0.199 -20.749 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -6.613 0.251 -21.102 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -5.060 0.140 -21.936 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.168 1.481 -12.204 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.365 0.326 -11.260 1.00 12.00 C ATOM 1018 C PHE A 66 -7.880 0.017 -11.115 1.00 12.00 C ATOM 1019 O PHE A 66 -8.369 -0.209 -10.026 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.740 0.686 -9.897 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.225 0.701 -10.017 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.564 1.836 -10.521 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.473 -0.425 -9.635 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.169 1.838 -10.645 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.078 -0.413 -9.758 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.428 0.716 -10.264 1.00 12.00 C ATOM 0 H PHE A 66 -6.273 2.404 -11.783 1.00 12.00 H new ATOM 0 HA PHE A 66 -5.876 -0.567 -11.649 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.098 1.661 -9.568 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.048 -0.038 -9.142 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.133 2.707 -10.813 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -3.972 -1.300 -9.246 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.664 2.709 -11.036 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.503 -1.278 -9.461 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.352 0.721 -10.361 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.600 -0.001 -12.239 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.097 -0.296 -12.295 1.00 12.00 C ATOM 1038 C GLN A 67 -10.826 -0.113 -10.948 1.00 12.00 C ATOM 1039 O GLN A 67 -10.686 -0.938 -10.059 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.298 -1.740 -12.765 1.00 12.00 C ATOM 1041 CG GLN A 67 -10.106 -1.818 -14.281 1.00 12.00 C ATOM 1042 CD GLN A 67 -11.226 -1.043 -14.975 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -12.386 -1.216 -14.660 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -10.927 -0.188 -15.914 1.00 12.00 N ATOM 0 H GLN A 67 -8.193 0.184 -13.156 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.529 0.427 -12.987 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.588 -2.398 -12.264 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.297 -2.085 -12.497 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -9.137 -1.404 -14.558 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -10.113 -2.858 -14.607 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -9.953 -0.042 -16.179 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -11.667 0.334 -16.383 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.607 0.950 -10.797 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.336 1.165 -9.502 1.00 12.00 C ATOM 1055 C LEU A 68 -13.808 0.710 -9.569 1.00 12.00 C ATOM 1056 O LEU A 68 -14.446 0.723 -10.614 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.289 2.654 -9.079 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.504 3.627 -10.262 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.736 3.248 -11.084 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.725 5.037 -9.704 1.00 12.00 C ATOM 0 H LEU A 68 -11.764 1.664 -11.509 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.822 0.552 -8.761 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -13.053 2.835 -8.323 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.326 2.863 -8.614 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.624 3.580 -10.904 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.856 3.953 -11.906 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.611 2.242 -11.484 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.621 3.278 -10.448 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.878 5.734 -10.528 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.603 5.039 -9.059 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.851 5.342 -9.128 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.338 0.358 -8.418 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.780 -0.041 -8.283 1.00 12.00 C ATOM 1074 C ASN A 69 -16.397 1.036 -7.398 1.00 12.00 C ATOM 1075 O ASN A 69 -16.166 1.040 -6.200 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.915 -1.403 -7.582 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.267 -2.029 -7.929 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.432 -2.600 -9.091 1.00 12.00 O flip ATOM 1079 ND2 ASN A 69 -18.182 -2.005 -7.130 1.00 12.00 N flip ATOM 0 H ASN A 69 -13.816 0.330 -7.542 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.261 -0.130 -9.257 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.106 -2.065 -7.893 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.827 -1.278 -6.503 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -18.054 -1.559 -6.222 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -19.078 -2.431 -7.368 1.00 12.00 H new ATOM 1086 N THR A 70 -17.107 1.987 -7.968 1.00 12.00 N ATOM 1087 CA THR A 70 -17.644 3.109 -7.130 1.00 12.00 C ATOM 1088 C THR A 70 -19.145 3.026 -6.897 1.00 12.00 C ATOM 1089 O THR A 70 -19.939 3.109 -7.822 1.00 12.00 O ATOM 1090 CB THR A 70 -17.336 4.436 -7.827 1.00 12.00 C ATOM 1091 OG1 THR A 70 -15.992 4.426 -8.285 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.531 5.582 -6.835 1.00 12.00 C ATOM 0 H THR A 70 -17.334 2.034 -8.961 1.00 12.00 H new ATOM 0 HA THR A 70 -17.160 3.036 -6.156 1.00 12.00 H new ATOM 0 HB THR A 70 -18.006 4.571 -8.676 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.793 5.274 -8.733 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.313 6.530 -7.327 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.562 5.586 -6.481 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.857 5.449 -5.988 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.520 2.974 -5.639 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.964 3.014 -5.262 1.00 12.00 C ATOM 1102 C CYS A 71 -21.174 4.477 -4.899 1.00 12.00 C ATOM 1103 O CYS A 71 -20.686 4.926 -3.879 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.255 2.115 -4.046 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.908 0.383 -4.457 1.00 12.00 S ATOM 0 H CYS A 71 -18.876 2.905 -4.851 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.619 2.655 -6.056 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.643 2.426 -3.199 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.297 2.224 -3.744 1.00 12.00 H new ATOM 1110 N THR A 72 -21.812 5.240 -5.756 1.00 12.00 N ATOM 1111 CA THR A 72 -21.956 6.711 -5.493 1.00 12.00 C ATOM 1112 C THR A 72 -23.336 7.070 -4.936 1.00 12.00 C ATOM 1113 O THR A 72 -24.351 6.559 -5.374 1.00 12.00 O ATOM 1114 CB THR A 72 -21.725 7.474 -6.807 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.638 6.887 -7.510 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.404 8.941 -6.510 1.00 12.00 C ATOM 0 H THR A 72 -22.238 4.911 -6.623 1.00 12.00 H new ATOM 0 HA THR A 72 -21.217 6.992 -4.742 1.00 12.00 H new ATOM 0 HB THR A 72 -22.628 7.420 -7.415 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.491 7.372 -8.349 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.242 9.475 -7.446 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.238 9.394 -5.974 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.504 9.000 -5.898 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.354 7.980 -3.983 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.632 8.450 -3.365 1.00 12.00 C ATOM 1126 C ARG A 73 -25.511 9.073 -4.455 1.00 12.00 C ATOM 1127 O ARG A 73 -25.036 9.862 -5.257 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.304 9.500 -2.295 1.00 12.00 C ATOM 1129 CG ARG A 73 -25.588 9.982 -1.612 1.00 12.00 C ATOM 1130 CD ARG A 73 -25.319 11.308 -0.887 1.00 12.00 C ATOM 1131 NE ARG A 73 -26.436 12.258 -1.149 1.00 12.00 N ATOM 1132 CZ ARG A 73 -26.183 13.446 -1.629 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -25.397 13.576 -2.664 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -26.715 14.502 -1.074 1.00 12.00 N ATOM 0 H ARG A 73 -22.517 8.422 -3.604 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.163 7.616 -2.906 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.627 9.075 -1.554 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -23.787 10.345 -2.751 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.378 10.114 -2.352 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -25.938 9.232 -0.902 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.220 11.134 0.185 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -24.377 11.736 -1.229 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.398 11.981 -0.954 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -24.982 12.751 -3.096 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -25.198 14.503 -3.040 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -27.328 14.399 -0.265 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -26.517 15.430 -1.449 1.00 12.00 H new ATOM 1148 N THR A 74 -26.781 8.720 -4.486 1.00 12.00 N ATOM 1149 CA THR A 74 -27.709 9.278 -5.523 1.00 12.00 C ATOM 1150 C THR A 74 -28.931 9.916 -4.831 1.00 12.00 C ATOM 1151 O THR A 74 -28.867 11.067 -4.425 1.00 12.00 O ATOM 1152 CB THR A 74 -28.143 8.155 -6.482 1.00 12.00 C ATOM 1153 OG1 THR A 74 -28.377 6.965 -5.739 1.00 12.00 O ATOM 1154 CG2 THR A 74 -27.044 7.907 -7.520 1.00 12.00 C ATOM 0 H THR A 74 -27.213 8.066 -3.833 1.00 12.00 H new ATOM 0 HA THR A 74 -27.199 10.048 -6.102 1.00 12.00 H new ATOM 0 HB THR A 74 -29.058 8.450 -6.995 1.00 12.00 H new ATOM 0 HG1 THR A 74 -28.655 6.249 -6.347 1.00 12.00 H new ATOM 0 HG21 THR A 74 -27.356 7.111 -8.197 1.00 12.00 H new ATOM 0 HG22 THR A 74 -26.869 8.820 -8.089 1.00 12.00 H new ATOM 0 HG23 THR A 74 -26.125 7.613 -7.013 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.060 3.973 2.470 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.803 5.228 1.687 1.00 12.00 C ATOM 1260 C CYS A 81 -28.832 4.902 0.175 1.00 12.00 C ATOM 1261 O CYS A 81 -28.667 3.749 -0.183 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.425 5.783 2.070 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.579 6.854 3.523 1.00 12.00 S ATOM 0 HA CYS A 81 -29.570 5.970 1.910 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -26.738 4.963 2.282 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -27.004 6.344 1.236 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.042 5.907 -0.681 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.087 5.682 -2.147 1.00 12.00 C ATOM 1270 C PRO A 82 -27.678 5.486 -2.710 1.00 12.00 C ATOM 1271 O PRO A 82 -26.804 6.297 -2.479 1.00 12.00 O ATOM 1272 CB PRO A 82 -29.707 6.965 -2.698 1.00 12.00 C ATOM 1273 CG PRO A 82 -29.468 8.060 -1.636 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.249 7.335 -0.298 1.00 12.00 C ATOM 0 HA PRO A 82 -29.651 4.789 -2.415 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -29.249 7.240 -3.648 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -30.773 6.832 -2.884 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -28.600 8.667 -1.894 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -30.322 8.734 -1.576 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.385 7.733 0.233 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.109 7.449 0.362 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.465 4.417 -3.453 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.112 4.148 -4.057 1.00 12.00 C ATOM 1284 C TYR A 83 -26.267 3.425 -5.395 1.00 12.00 C ATOM 1285 O TYR A 83 -27.054 2.502 -5.522 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.279 3.275 -3.112 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.618 4.146 -2.078 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.326 4.575 -0.951 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.292 4.534 -2.258 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.700 5.396 -0.005 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.666 5.350 -1.319 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.368 5.786 -0.190 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.747 6.598 0.744 1.00 12.00 O ATOM 0 H TYR A 83 -28.174 3.716 -3.668 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.608 5.102 -4.214 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.916 2.535 -2.627 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.525 2.726 -3.676 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.354 4.274 -0.810 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.748 4.201 -3.129 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.244 5.728 0.867 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.637 5.647 -1.462 1.00 12.00 H new ATOM 0 HH TYR A 83 -22.826 7.535 0.467 1.00 12.00 H new ATOM 1303 N SER A 84 -25.496 3.835 -6.380 1.00 12.00 N ATOM 1304 CA SER A 84 -25.546 3.178 -7.738 1.00 12.00 C ATOM 1305 C SER A 84 -24.135 2.712 -8.099 1.00 12.00 C ATOM 1306 O SER A 84 -23.185 3.469 -7.993 1.00 12.00 O ATOM 1307 CB SER A 84 -26.041 4.172 -8.794 1.00 12.00 C ATOM 1308 OG SER A 84 -26.626 3.453 -9.873 1.00 12.00 O ATOM 0 H SER A 84 -24.828 4.602 -6.304 1.00 12.00 H new ATOM 0 HA SER A 84 -26.233 2.332 -7.710 1.00 12.00 H new ATOM 0 HB2 SER A 84 -26.771 4.853 -8.356 1.00 12.00 H new ATOM 0 HB3 SER A 84 -25.212 4.782 -9.154 1.00 12.00 H new ATOM 0 HG SER A 84 -26.946 4.084 -10.551 1.00 12.00 H new ATOM 1314 N SER A 85 -23.996 1.466 -8.497 1.00 12.00 N ATOM 1315 CA SER A 85 -22.648 0.913 -8.841 1.00 12.00 C ATOM 1316 C SER A 85 -22.231 1.327 -10.253 1.00 12.00 C ATOM 1317 O SER A 85 -23.017 1.274 -11.184 1.00 12.00 O ATOM 1318 CB SER A 85 -22.692 -0.612 -8.763 1.00 12.00 C ATOM 1319 OG SER A 85 -23.382 -1.004 -7.586 1.00 12.00 O ATOM 0 H SER A 85 -24.767 0.806 -8.598 1.00 12.00 H new ATOM 0 HA SER A 85 -21.922 1.309 -8.131 1.00 12.00 H new ATOM 0 HB2 SER A 85 -23.191 -1.018 -9.643 1.00 12.00 H new ATOM 0 HB3 SER A 85 -21.680 -1.016 -8.756 1.00 12.00 H new ATOM 0 HG SER A 85 -23.413 -1.982 -7.535 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.983 1.718 -10.402 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.447 2.125 -11.741 1.00 12.00 C ATOM 1327 C ARG A 86 -18.947 1.807 -11.796 1.00 12.00 C ATOM 1328 O ARG A 86 -18.179 2.294 -10.982 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.663 3.627 -11.955 1.00 12.00 C ATOM 1330 CG ARG A 86 -22.030 3.854 -12.612 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.976 5.082 -13.530 1.00 12.00 C ATOM 1332 NE ARG A 86 -22.144 4.651 -14.948 1.00 12.00 N ATOM 1333 CZ ARG A 86 -23.244 4.938 -15.593 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -23.748 6.140 -15.527 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -23.838 4.021 -16.310 1.00 12.00 N ATOM 0 H ARG A 86 -20.306 1.772 -9.641 1.00 12.00 H new ATOM 0 HA ARG A 86 -20.970 1.578 -12.525 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -20.613 4.153 -11.001 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.872 4.034 -12.585 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -22.317 2.973 -13.186 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -22.792 3.997 -11.845 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -22.761 5.788 -13.258 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -21.025 5.600 -13.406 1.00 12.00 H new ATOM 0 HE ARG A 86 -21.400 4.132 -15.415 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -23.283 6.858 -14.971 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -24.607 6.361 -16.031 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -23.443 3.082 -16.366 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -24.696 4.244 -16.814 1.00 12.00 H new ATOM 1349 N THR A 87 -18.538 0.989 -12.747 1.00 12.00 N ATOM 1350 CA THR A 87 -17.090 0.614 -12.871 1.00 12.00 C ATOM 1351 C THR A 87 -16.431 1.476 -13.947 1.00 12.00 C ATOM 1352 O THR A 87 -17.065 1.848 -14.921 1.00 12.00 O ATOM 1353 CB THR A 87 -16.983 -0.865 -13.266 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.945 -1.156 -14.268 1.00 12.00 O ATOM 1355 CG2 THR A 87 -17.240 -1.737 -12.037 1.00 12.00 C ATOM 0 H THR A 87 -19.150 0.565 -13.444 1.00 12.00 H new ATOM 0 HA THR A 87 -16.587 0.777 -11.918 1.00 12.00 H new ATOM 0 HB THR A 87 -15.985 -1.070 -13.653 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.877 -2.100 -14.523 1.00 12.00 H new ATOM 0 HG21 THR A 87 -17.165 -2.788 -12.315 1.00 12.00 H new ATOM 0 HG22 THR A 87 -16.500 -1.511 -11.269 1.00 12.00 H new ATOM 0 HG23 THR A 87 -18.239 -1.535 -11.650 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.162 1.792 -13.771 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.435 2.634 -14.777 1.00 12.00 C ATOM 1365 C GLU A 88 -12.927 2.610 -14.492 1.00 12.00 C ATOM 1366 O GLU A 88 -12.461 1.877 -13.637 1.00 12.00 O ATOM 1367 CB GLU A 88 -14.951 4.079 -14.699 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.213 4.613 -16.111 1.00 12.00 C ATOM 1369 CD GLU A 88 -15.202 6.142 -16.090 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -15.918 6.711 -15.283 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -14.475 6.720 -16.883 1.00 12.00 O ATOM 0 H GLU A 88 -14.601 1.500 -12.971 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.613 2.234 -15.775 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -15.868 4.116 -14.110 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.220 4.709 -14.192 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -14.452 4.243 -16.798 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -16.174 4.251 -16.475 1.00 12.00 H new ATOM 1378 N THR A 89 -12.175 3.417 -15.215 1.00 12.00 N ATOM 1379 CA THR A 89 -10.687 3.484 -15.027 1.00 12.00 C ATOM 1380 C THR A 89 -10.374 4.061 -13.649 1.00 12.00 C ATOM 1381 O THR A 89 -11.062 4.957 -13.184 1.00 12.00 O ATOM 1382 CB THR A 89 -10.087 4.399 -16.106 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.522 3.965 -17.385 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.562 4.339 -16.041 1.00 12.00 C ATOM 0 H THR A 89 -12.538 4.040 -15.937 1.00 12.00 H new ATOM 0 HA THR A 89 -10.261 2.484 -15.108 1.00 12.00 H new ATOM 0 HB THR A 89 -10.415 5.424 -15.935 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.142 4.548 -18.075 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.139 4.989 -16.807 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.226 4.671 -15.058 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.231 3.315 -16.211 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.342 3.552 -12.994 1.00 12.00 N ATOM 1393 CA ASN A 90 -8.989 4.081 -11.630 1.00 12.00 C ATOM 1394 C ASN A 90 -7.736 4.962 -11.683 1.00 12.00 C ATOM 1395 O ASN A 90 -6.624 4.519 -11.433 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.784 2.936 -10.632 1.00 12.00 C ATOM 1397 CG ASN A 90 -8.695 3.503 -9.212 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -7.815 3.141 -8.457 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -9.574 4.381 -8.811 1.00 12.00 N ATOM 0 H ASN A 90 -8.740 2.805 -13.342 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.826 4.692 -11.292 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.610 2.228 -10.701 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -7.873 2.388 -10.874 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -9.521 4.761 -7.866 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -10.314 4.687 -9.443 1.00 12.00 H new ATOM 1406 N TYR A 91 -7.935 6.229 -11.953 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.805 7.206 -11.972 1.00 12.00 C ATOM 1408 C TYR A 91 -6.995 8.090 -10.749 1.00 12.00 C ATOM 1409 O TYR A 91 -7.916 8.894 -10.706 1.00 12.00 O ATOM 1410 CB TYR A 91 -6.823 8.057 -13.253 1.00 12.00 C ATOM 1411 CG TYR A 91 -8.235 8.470 -13.608 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -9.044 7.611 -14.361 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -8.728 9.713 -13.195 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -10.345 7.994 -14.702 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -10.029 10.098 -13.538 1.00 12.00 C ATOM 1416 CZ TYR A 91 -10.838 9.239 -14.291 1.00 12.00 C ATOM 1417 OH TYR A 91 -12.120 9.621 -14.632 1.00 12.00 O ATOM 0 H TYR A 91 -8.848 6.632 -12.164 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.845 6.690 -11.955 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -6.205 8.944 -13.114 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -6.388 7.491 -14.076 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -8.663 6.652 -14.679 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -8.105 10.375 -12.612 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -10.969 7.330 -15.282 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -10.409 11.058 -13.222 1.00 12.00 H new ATOM 0 HH TYR A 91 -12.304 10.512 -14.267 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.176 7.906 -9.732 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.361 8.696 -8.474 1.00 12.00 C ATOM 1429 C ILE A 92 -5.024 9.161 -7.887 1.00 12.00 C ATOM 1430 O ILE A 92 -3.984 9.043 -8.507 1.00 12.00 O ATOM 1431 CB ILE A 92 -7.103 7.809 -7.469 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.313 6.509 -7.257 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -8.494 7.487 -8.030 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -7.069 5.581 -6.298 1.00 12.00 C ATOM 0 H ILE A 92 -5.396 7.248 -9.723 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.934 9.596 -8.697 1.00 12.00 H new ATOM 0 HB ILE A 92 -7.202 8.325 -6.514 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.159 6.009 -8.213 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -5.326 6.736 -6.853 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -9.034 6.856 -7.324 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -9.047 8.413 -8.185 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -8.391 6.963 -8.980 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -6.499 4.663 -6.155 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -7.200 6.079 -5.338 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -8.045 5.341 -6.719 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.076 9.704 -6.687 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.845 10.209 -5.990 1.00 12.00 C ATOM 1448 C CYS A 93 -3.668 9.449 -4.674 1.00 12.00 C ATOM 1449 O CYS A 93 -4.484 9.567 -3.774 1.00 12.00 O ATOM 1450 CB CYS A 93 -4.002 11.704 -5.691 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.441 12.365 -5.055 1.00 12.00 S ATOM 0 H CYS A 93 -5.937 9.820 -6.153 1.00 12.00 H new ATOM 0 HA CYS A 93 -2.975 10.055 -6.628 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.292 12.237 -6.596 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.797 11.857 -4.962 1.00 12.00 H new ATOM 0 HG CYS A 93 -2.577 13.633 -4.804 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.609 8.675 -4.567 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.348 7.886 -3.322 1.00 12.00 C ATOM 1458 C VAL A 94 -1.077 8.419 -2.636 1.00 12.00 C ATOM 1459 O VAL A 94 -0.361 9.230 -3.202 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.186 6.394 -3.697 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -0.840 6.146 -4.389 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -2.275 5.540 -2.431 1.00 12.00 C ATOM 0 H VAL A 94 -1.909 8.557 -5.299 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.183 7.987 -2.628 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.984 6.121 -4.388 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -0.750 5.090 -4.642 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -0.783 6.744 -5.299 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -0.029 6.428 -3.718 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -2.161 4.488 -2.693 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.483 5.830 -1.740 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -3.244 5.693 -1.956 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.795 7.955 -1.433 1.00 12.00 N ATOM 1473 CA LYS A 95 0.428 8.407 -0.707 1.00 12.00 C ATOM 1474 C LYS A 95 1.181 7.173 -0.182 1.00 12.00 C ATOM 1475 O LYS A 95 0.560 6.172 0.152 1.00 12.00 O ATOM 1476 CB LYS A 95 0.031 9.336 0.443 1.00 12.00 C ATOM 1477 CG LYS A 95 -0.664 10.577 -0.132 1.00 12.00 C ATOM 1478 CD LYS A 95 -0.424 11.775 0.789 1.00 12.00 C ATOM 1479 CE LYS A 95 -1.660 12.678 0.779 1.00 12.00 C ATOM 1480 NZ LYS A 95 -1.249 14.092 1.010 1.00 12.00 N ATOM 0 H LYS A 95 -1.368 7.279 -0.927 1.00 12.00 H new ATOM 0 HA LYS A 95 1.083 8.961 -1.380 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.635 8.817 1.133 1.00 12.00 H new ATOM 0 HB3 LYS A 95 0.914 9.629 1.012 1.00 12.00 H new ATOM 0 HG2 LYS A 95 -0.281 10.791 -1.130 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -1.733 10.393 -0.234 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.218 11.433 1.803 1.00 12.00 H new ATOM 0 HD3 LYS A 95 0.451 12.334 0.457 1.00 12.00 H new ATOM 0 HE2 LYS A 95 -2.179 12.591 -0.176 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -2.360 12.361 1.552 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 -2.090 14.704 1.003 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 -0.773 14.169 1.931 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 -0.597 14.391 0.257 1.00 12.00 H new ATOM 1494 N CYS A 96 2.507 7.215 -0.138 1.00 12.00 N ATOM 1495 CA CYS A 96 3.286 6.006 0.312 1.00 12.00 C ATOM 1496 C CYS A 96 4.126 6.233 1.578 1.00 12.00 C ATOM 1497 O CYS A 96 5.013 7.063 1.619 1.00 12.00 O ATOM 1498 CB CYS A 96 4.248 5.562 -0.801 1.00 12.00 C ATOM 1499 SG CYS A 96 3.528 5.863 -2.437 1.00 12.00 S ATOM 0 H CYS A 96 3.072 8.025 -0.392 1.00 12.00 H new ATOM 0 HA CYS A 96 2.535 5.249 0.540 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.190 6.102 -0.709 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.476 4.502 -0.689 1.00 12.00 H new ATOM 1504 N GLU A 97 3.900 5.390 2.557 1.00 12.00 N ATOM 1505 CA GLU A 97 4.706 5.371 3.824 1.00 12.00 C ATOM 1506 C GLU A 97 5.062 3.889 4.010 1.00 12.00 C ATOM 1507 O GLU A 97 4.277 3.035 3.638 1.00 12.00 O ATOM 1508 CB GLU A 97 3.895 5.902 5.013 1.00 12.00 C ATOM 1509 CG GLU A 97 4.637 5.626 6.326 1.00 12.00 C ATOM 1510 CD GLU A 97 3.965 6.390 7.465 1.00 12.00 C ATOM 1511 OE1 GLU A 97 2.839 6.055 7.793 1.00 12.00 O ATOM 1512 OE2 GLU A 97 4.589 7.295 7.993 1.00 12.00 O ATOM 0 H GLU A 97 3.162 4.687 2.530 1.00 12.00 H new ATOM 0 HA GLU A 97 5.586 6.011 3.769 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.728 6.973 4.899 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.914 5.427 5.034 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.633 4.557 6.540 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.680 5.930 6.237 1.00 12.00 H new ATOM 1519 N ASN A 98 6.233 3.558 4.523 1.00 12.00 N ATOM 1520 CA ASN A 98 6.615 2.093 4.628 1.00 12.00 C ATOM 1521 C ASN A 98 6.454 1.459 3.214 1.00 12.00 C ATOM 1522 O ASN A 98 6.143 0.295 3.062 1.00 12.00 O ATOM 1523 CB ASN A 98 5.697 1.392 5.634 1.00 12.00 C ATOM 1524 CG ASN A 98 6.262 1.581 7.042 1.00 12.00 C ATOM 1525 OD1 ASN A 98 7.307 1.051 7.366 1.00 12.00 O ATOM 1526 ND2 ASN A 98 5.615 2.323 7.898 1.00 12.00 N ATOM 0 H ASN A 98 6.930 4.218 4.868 1.00 12.00 H new ATOM 0 HA ASN A 98 7.643 1.984 4.973 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.690 1.804 5.575 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.622 0.330 5.398 1.00 12.00 H new ATOM 0 HD21 ASN A 98 5.986 2.458 8.838 1.00 12.00 H new ATOM 0 HD22 ASN A 98 4.738 2.768 7.627 1.00 12.00 H new ATOM 1533 N GLN A 99 6.643 2.287 2.197 1.00 12.00 N ATOM 1534 CA GLN A 99 6.519 1.919 0.738 1.00 12.00 C ATOM 1535 C GLN A 99 5.189 1.239 0.352 1.00 12.00 C ATOM 1536 O GLN A 99 5.026 0.828 -0.788 1.00 12.00 O ATOM 1537 CB GLN A 99 7.720 1.088 0.261 1.00 12.00 C ATOM 1538 CG GLN A 99 7.835 -0.210 1.056 1.00 12.00 C ATOM 1539 CD GLN A 99 8.885 -1.109 0.403 1.00 12.00 C ATOM 1540 OE1 GLN A 99 8.680 -2.297 0.261 1.00 12.00 O ATOM 1541 NE2 GLN A 99 10.009 -0.586 -0.007 1.00 12.00 N ATOM 0 H GLN A 99 6.894 3.266 2.335 1.00 12.00 H new ATOM 0 HA GLN A 99 6.517 2.874 0.213 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.612 0.861 -0.800 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.636 1.669 0.371 1.00 12.00 H new ATOM 0 HG2 GLN A 99 8.114 0.005 2.088 1.00 12.00 H new ATOM 0 HG3 GLN A 99 6.871 -0.719 1.086 1.00 12.00 H new ATOM 0 HE21 GLN A 99 10.181 0.412 0.113 1.00 12.00 H new ATOM 0 HE22 GLN A 99 10.715 -1.176 -0.447 1.00 12.00 H new ATOM 1550 N TYR A 100 4.222 1.208 1.236 1.00 12.00 N ATOM 1551 CA TYR A 100 2.868 0.667 0.890 1.00 12.00 C ATOM 1552 C TYR A 100 1.928 1.887 0.984 1.00 12.00 C ATOM 1553 O TYR A 100 2.156 2.740 1.825 1.00 12.00 O ATOM 1554 CB TYR A 100 2.477 -0.508 1.858 1.00 12.00 C ATOM 1555 CG TYR A 100 1.333 -0.172 2.827 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.033 0.085 2.350 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.580 -0.110 4.205 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -0.999 0.401 3.236 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.542 0.211 5.092 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.745 0.469 4.606 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.762 0.790 5.479 1.00 12.00 O ATOM 0 H TYR A 100 4.314 1.539 2.196 1.00 12.00 H new ATOM 0 HA TYR A 100 2.818 0.224 -0.105 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.191 -1.375 1.262 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.355 -0.795 2.436 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.167 0.037 1.290 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.571 -0.310 4.585 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -1.993 0.593 2.861 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.736 0.259 6.153 1.00 12.00 H new ATOM 0 HH TYR A 100 -1.418 1.386 6.177 1.00 12.00 H new ATOM 1571 N PRO A 101 0.902 1.957 0.145 1.00 12.00 N ATOM 1572 CA PRO A 101 -0.041 3.097 0.178 1.00 12.00 C ATOM 1573 C PRO A 101 -0.707 3.140 1.547 1.00 12.00 C ATOM 1574 O PRO A 101 -1.714 2.513 1.770 1.00 12.00 O ATOM 1575 CB PRO A 101 -1.013 2.807 -0.974 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.881 1.298 -1.267 1.00 12.00 C ATOM 1577 CD PRO A 101 0.556 0.925 -0.862 1.00 12.00 C ATOM 0 HA PRO A 101 0.415 4.078 0.045 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -2.035 3.063 -0.697 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.764 3.399 -1.854 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.611 0.722 -0.698 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -1.059 1.086 -2.321 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.608 -0.080 -0.443 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.234 0.951 -1.715 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.101 3.859 2.467 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.626 3.938 3.871 1.00 12.00 C ATOM 1587 C VAL A 102 -1.667 5.046 4.000 1.00 12.00 C ATOM 1588 O VAL A 102 -2.472 5.031 4.918 1.00 12.00 O ATOM 1589 CB VAL A 102 0.554 4.240 4.822 1.00 12.00 C ATOM 1590 CG1 VAL A 102 0.051 4.535 6.243 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.499 3.037 4.871 1.00 12.00 C ATOM 0 H VAL A 102 0.747 4.402 2.301 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.097 2.989 4.128 1.00 12.00 H new ATOM 0 HB VAL A 102 1.080 5.116 4.443 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.900 4.744 6.893 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.612 5.400 6.222 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.493 3.670 6.623 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.330 3.254 5.543 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.957 2.163 5.234 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.884 2.836 3.871 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.627 6.016 3.127 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.581 7.158 3.223 1.00 12.00 C ATOM 1603 C HIS A 103 -3.149 7.410 1.839 1.00 12.00 C ATOM 1604 O HIS A 103 -2.450 7.229 0.862 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.848 8.430 3.743 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.367 8.160 3.987 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.643 7.751 3.145 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 0.220 8.268 5.243 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.823 7.612 3.855 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.519 7.928 5.111 1.00 12.00 N flip ATOM 0 H HIS A 103 -0.971 6.067 2.347 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.382 6.922 3.923 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.957 9.236 3.018 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.315 8.768 4.668 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.273 8.569 6.156 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.786 7.311 3.471 1.00 12.00 H new ATOM 0 HE2 HIS A 103 2.187 7.915 5.881 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.401 7.821 1.738 1.00 12.00 N ATOM 1619 CA PHE A 104 -4.979 8.076 0.377 1.00 12.00 C ATOM 1620 C PHE A 104 -5.341 9.557 0.233 1.00 12.00 C ATOM 1621 O PHE A 104 -6.013 10.121 1.078 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.225 7.194 0.107 1.00 12.00 C ATOM 1623 CG PHE A 104 -6.037 6.449 -1.207 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.457 7.104 -2.299 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -6.412 5.106 -1.323 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -5.247 6.436 -3.495 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -6.202 4.428 -2.531 1.00 12.00 C ATOM 1628 CZ PHE A 104 -5.615 5.095 -3.616 1.00 12.00 C ATOM 0 H PHE A 104 -5.031 7.986 2.523 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.222 7.812 -0.361 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.367 6.486 0.923 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.121 7.813 0.063 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -5.170 8.141 -2.209 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -6.861 4.594 -0.485 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -4.800 6.952 -4.332 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -6.492 3.392 -2.627 1.00 12.00 H new ATOM 0 HZ PHE A 104 -5.448 4.571 -4.545 1.00 12.00 H new ATOM 1638 N ALA A 105 -4.875 10.186 -0.833 1.00 12.00 N ATOM 1639 CA ALA A 105 -5.157 11.641 -1.060 1.00 12.00 C ATOM 1640 C ALA A 105 -6.576 11.841 -1.621 1.00 12.00 C ATOM 1641 O ALA A 105 -7.246 12.792 -1.250 1.00 12.00 O ATOM 1642 CB ALA A 105 -4.125 12.226 -2.035 1.00 12.00 C ATOM 0 H ALA A 105 -4.308 9.745 -1.557 1.00 12.00 H new ATOM 0 HA ALA A 105 -5.087 12.159 -0.104 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -4.335 13.283 -2.196 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -3.125 12.114 -1.616 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -4.181 11.696 -2.986 1.00 12.00 H new ATOM 1648 N GLY A 106 -7.043 10.962 -2.496 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.429 11.121 -3.057 1.00 12.00 C ATOM 1650 C GLY A 106 -8.468 10.803 -4.559 1.00 12.00 C ATOM 1651 O GLY A 106 -7.934 9.803 -5.007 1.00 12.00 O ATOM 0 H GLY A 106 -6.526 10.152 -2.839 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -9.115 10.461 -2.526 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -8.775 12.141 -2.891 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.135 11.650 -5.320 1.00 12.00 N ATOM 1656 CA ILE A 107 -9.284 11.438 -6.799 1.00 12.00 C ATOM 1657 C ILE A 107 -7.944 11.624 -7.522 1.00 12.00 C ATOM 1658 O ILE A 107 -6.901 11.730 -6.898 1.00 12.00 O ATOM 1659 CB ILE A 107 -10.312 12.437 -7.339 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -9.870 13.863 -6.999 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.674 12.157 -6.696 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -10.360 14.824 -8.085 1.00 12.00 C ATOM 0 H ILE A 107 -9.589 12.493 -4.969 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.621 10.417 -6.979 1.00 12.00 H new ATOM 0 HB ILE A 107 -10.389 12.332 -8.421 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -10.272 14.158 -6.030 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -8.784 13.909 -6.921 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -12.409 12.866 -7.077 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.989 11.142 -6.938 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.594 12.264 -5.614 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -10.045 15.839 -7.842 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -9.937 14.533 -9.046 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -11.448 14.786 -8.141 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.982 11.640 -8.843 1.00 12.00 N ATOM 1675 CA GLY A 108 -6.735 11.792 -9.659 1.00 12.00 C ATOM 1676 C GLY A 108 -6.485 13.267 -9.981 1.00 12.00 C ATOM 1677 O GLY A 108 -6.443 13.653 -11.137 1.00 12.00 O ATOM 0 H GLY A 108 -8.838 11.553 -9.391 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -5.884 11.383 -9.114 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -6.826 11.222 -10.583 1.00 12.00 H new