USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=28 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 23 MET CE :methyl -136:sc= -2.3 (180deg=0) USER MOD Set 1.2: A 38 ASN : amide:sc= -4.7! C(o=-6.6!,f=-11!) USER MOD Set 1.3: A 83 TYR OH : rot -31:sc= 0.426 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.684 K(o=-0.7,f=-2.1) USER MOD Set 2.2: A 21 THR OG1 : rot 18:sc= -0.0202 USER MOD Set 3.1: A 2 ASN : amide:sc= -0.441 K(o=-0.42,f=-6.2!) USER MOD Set 3.2: A 5 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 7 GLN : amide:sc= -2.04 K(o=-2,f=-4.6!) USER MOD Single : A 8 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.29) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -11.9! C(o=-12!,f=-13!) USER MOD Single : A 13 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.1!) USER MOD Single : A 14 THR OG1 : rot 58:sc= -0.84 USER MOD Single : A 18 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3!) USER MOD Single : A 25 ASN : amide:sc= -2.75! K(o=-2.7!,f=-4.3) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -175:sc= -1.51! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc=-0.00399 (180deg=-0.171) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 43 SER OG : rot 130:sc= -1.45 USER MOD Single : A 44 SER OG : rot 170:sc= -0.607 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 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 -27:sc= 0.296 USER MOD Single : A 57 ASN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 62 SER OG : rot -150:sc= -0.184 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 70 THR OG1 : rot 179:sc= -4.45! USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00676 USER MOD Single : A 84 SER OG : rot 40:sc= 0.346 USER MOD Single : A 85 SER OG : rot -73:sc= 0.878 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -8.92! C(o=-8.9!,f=-14!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0026 X(o=-0.0026,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.3!) USER MOD Single : A 100 TYR OH : rot 84:sc= -0.986 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -6.94! C(o=-9.4!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -2.604 1.610 7.364 1.00 12.00 N ATOM 16 CA ASN A 2 -2.153 0.191 7.480 1.00 12.00 C ATOM 17 C ASN A 2 -2.370 -0.515 6.129 1.00 12.00 C ATOM 18 O ASN A 2 -3.210 -0.112 5.347 1.00 12.00 O ATOM 19 CB ASN A 2 -2.948 -0.483 8.609 1.00 12.00 C ATOM 20 CG ASN A 2 -2.605 -1.975 8.701 1.00 12.00 C ATOM 21 OD1 ASN A 2 -3.383 -2.814 8.301 1.00 12.00 O ATOM 22 ND2 ASN A 2 -1.462 -2.341 9.216 1.00 12.00 N ATOM 0 HA ASN A 2 -1.092 0.132 7.723 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.726 0.005 9.558 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -4.016 -0.361 8.430 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -1.226 -3.331 9.281 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -0.806 -1.637 9.553 1.00 12.00 H new ATOM 29 N TRP A 3 -1.595 -1.546 5.854 1.00 12.00 N ATOM 30 CA TRP A 3 -1.702 -2.292 4.544 1.00 12.00 C ATOM 31 C TRP A 3 -3.003 -3.123 4.513 1.00 12.00 C ATOM 32 O TRP A 3 -3.704 -3.135 3.520 1.00 12.00 O ATOM 33 CB TRP A 3 -0.494 -3.241 4.402 1.00 12.00 C ATOM 34 CG TRP A 3 0.222 -3.083 3.088 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.551 -2.858 2.987 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.281 -3.176 1.712 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.908 -2.835 1.654 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.818 -3.023 0.827 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.554 -3.383 1.141 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.664 -3.082 -0.558 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.711 -3.440 -0.257 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.603 -3.294 -1.103 1.00 12.00 C ATOM 0 H TRP A 3 -0.883 -1.908 6.488 1.00 12.00 H new ATOM 0 HA TRP A 3 -1.714 -1.575 3.723 1.00 12.00 H new ATOM 0 HB2 TRP A 3 0.206 -3.055 5.216 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -0.834 -4.272 4.503 1.00 12.00 H new ATOM 0 HD1 TRP A 3 2.227 -2.718 3.818 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.862 -2.696 1.320 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.416 -3.499 1.782 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.521 -2.964 -1.205 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.692 -3.597 -0.680 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.730 -3.345 -2.174 1.00 12.00 H new ATOM 53 N ALA A 4 -3.308 -3.832 5.591 1.00 12.00 N ATOM 54 CA ALA A 4 -4.543 -4.698 5.635 1.00 12.00 C ATOM 55 C ALA A 4 -5.805 -3.837 5.523 1.00 12.00 C ATOM 56 O ALA A 4 -6.666 -4.078 4.683 1.00 12.00 O ATOM 57 CB ALA A 4 -4.569 -5.469 6.961 1.00 12.00 C ATOM 0 H ALA A 4 -2.749 -3.845 6.444 1.00 12.00 H new ATOM 0 HA ALA A 4 -4.518 -5.395 4.797 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -5.459 -6.097 6.999 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -3.680 -6.095 7.035 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -4.587 -4.764 7.792 1.00 12.00 H new ATOM 63 N THR A 5 -5.911 -2.847 6.374 1.00 12.00 N ATOM 64 CA THR A 5 -7.094 -1.936 6.358 1.00 12.00 C ATOM 65 C THR A 5 -7.092 -1.166 5.040 1.00 12.00 C ATOM 66 O THR A 5 -8.143 -0.826 4.525 1.00 12.00 O ATOM 67 CB THR A 5 -7.026 -0.954 7.535 1.00 12.00 C ATOM 68 OG1 THR A 5 -6.509 -1.617 8.681 1.00 12.00 O ATOM 69 CG2 THR A 5 -8.432 -0.430 7.838 1.00 12.00 C ATOM 0 H THR A 5 -5.217 -2.629 7.089 1.00 12.00 H new ATOM 0 HA THR A 5 -8.010 -2.520 6.452 1.00 12.00 H new ATOM 0 HB THR A 5 -6.373 -0.121 7.276 1.00 12.00 H new ATOM 0 HG1 THR A 5 -6.465 -0.988 9.431 1.00 12.00 H new ATOM 0 HG21 THR A 5 -8.388 0.268 8.674 1.00 12.00 H new ATOM 0 HG22 THR A 5 -8.827 0.080 6.960 1.00 12.00 H new ATOM 0 HG23 THR A 5 -9.084 -1.265 8.097 1.00 12.00 H new ATOM 77 N PHE A 6 -5.918 -0.918 4.481 1.00 12.00 N ATOM 78 CA PHE A 6 -5.829 -0.204 3.169 1.00 12.00 C ATOM 79 C PHE A 6 -6.198 -1.185 2.047 1.00 12.00 C ATOM 80 O PHE A 6 -6.573 -0.778 0.962 1.00 12.00 O ATOM 81 CB PHE A 6 -4.423 0.351 2.956 1.00 12.00 C ATOM 82 CG PHE A 6 -4.314 1.012 1.586 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.096 0.207 0.462 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.404 2.418 1.431 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.974 0.782 -0.802 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.280 2.991 0.159 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.064 2.170 -0.956 1.00 12.00 C ATOM 0 H PHE A 6 -5.020 -1.184 4.885 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.523 0.637 3.162 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.189 1.076 3.736 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.692 -0.453 3.038 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.022 -0.865 0.574 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.568 3.047 2.293 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.809 0.154 -1.665 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.351 4.062 0.038 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.967 2.610 -1.937 1.00 12.00 H new ATOM 97 N GLN A 7 -6.118 -2.476 2.310 1.00 12.00 N ATOM 98 CA GLN A 7 -6.492 -3.483 1.276 1.00 12.00 C ATOM 99 C GLN A 7 -7.973 -3.301 1.000 1.00 12.00 C ATOM 100 O GLN A 7 -8.411 -3.343 -0.132 1.00 12.00 O ATOM 101 CB GLN A 7 -6.218 -4.901 1.787 1.00 12.00 C ATOM 102 CG GLN A 7 -6.540 -5.920 0.688 1.00 12.00 C ATOM 103 CD GLN A 7 -5.243 -6.404 0.035 1.00 12.00 C ATOM 104 OE1 GLN A 7 -5.111 -6.378 -1.172 1.00 12.00 O ATOM 105 NE2 GLN A 7 -4.273 -6.849 0.787 1.00 12.00 N ATOM 0 H GLN A 7 -5.808 -2.867 3.200 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.905 -3.343 0.368 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.174 -4.994 2.087 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -6.823 -5.102 2.671 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.083 -6.765 1.111 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -7.189 -5.467 -0.062 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -4.383 -6.871 1.801 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -3.405 -7.174 0.361 1.00 12.00 H new ATOM 114 N GLN A 8 -8.734 -3.041 2.035 1.00 12.00 N ATOM 115 CA GLN A 8 -10.189 -2.790 1.848 1.00 12.00 C ATOM 116 C GLN A 8 -10.346 -1.351 1.336 1.00 12.00 C ATOM 117 O GLN A 8 -11.219 -1.065 0.524 1.00 12.00 O ATOM 118 CB GLN A 8 -10.931 -2.953 3.183 1.00 12.00 C ATOM 119 CG GLN A 8 -11.608 -4.325 3.235 1.00 12.00 C ATOM 120 CD GLN A 8 -11.925 -4.687 4.689 1.00 12.00 C ATOM 121 OE1 GLN A 8 -11.059 -4.643 5.540 1.00 12.00 O ATOM 122 NE2 GLN A 8 -13.139 -5.047 5.013 1.00 12.00 N ATOM 0 H GLN A 8 -8.406 -2.993 3.000 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.610 -3.501 1.138 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.232 -2.850 4.013 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.676 -2.165 3.294 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.524 -4.312 2.645 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -10.956 -5.080 2.795 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -13.867 -5.084 4.300 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -13.358 -5.290 5.979 1.00 12.00 H new ATOM 131 N LYS A 9 -9.475 -0.455 1.807 1.00 12.00 N ATOM 132 CA LYS A 9 -9.506 0.994 1.396 1.00 12.00 C ATOM 133 C LYS A 9 -9.774 1.116 -0.109 1.00 12.00 C ATOM 134 O LYS A 9 -10.762 1.714 -0.510 1.00 12.00 O ATOM 135 CB LYS A 9 -8.172 1.693 1.788 1.00 12.00 C ATOM 136 CG LYS A 9 -8.160 3.158 1.338 1.00 12.00 C ATOM 137 CD LYS A 9 -8.598 4.070 2.492 1.00 12.00 C ATOM 138 CE LYS A 9 -7.417 4.933 2.942 1.00 12.00 C ATOM 139 NZ LYS A 9 -7.823 5.773 4.102 1.00 12.00 N ATOM 0 H LYS A 9 -8.735 -0.683 2.471 1.00 12.00 H new ATOM 0 HA LYS A 9 -10.318 1.494 1.924 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -8.035 1.641 2.868 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.334 1.164 1.334 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -7.160 3.436 1.005 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -8.828 3.290 0.487 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -9.425 4.705 2.173 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -8.961 3.469 3.326 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -6.575 4.299 3.217 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -7.084 5.567 2.120 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -7.019 6.358 4.405 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -8.614 6.389 3.825 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -8.121 5.160 4.887 1.00 12.00 H new ATOM 153 N HIS A 10 -8.908 0.566 -0.936 1.00 12.00 N ATOM 154 CA HIS A 10 -9.116 0.656 -2.416 1.00 12.00 C ATOM 155 C HIS A 10 -9.470 -0.684 -3.061 1.00 12.00 C ATOM 156 O HIS A 10 -10.078 -0.699 -4.117 1.00 12.00 O ATOM 157 CB HIS A 10 -7.875 1.269 -3.053 1.00 12.00 C ATOM 158 CG HIS A 10 -7.831 2.671 -2.559 1.00 12.00 C ATOM 159 ND1 HIS A 10 -8.590 3.674 -3.137 1.00 12.00 N ATOM 160 CD2 HIS A 10 -7.251 3.221 -1.456 1.00 12.00 C ATOM 161 CE1 HIS A 10 -8.458 4.766 -2.368 1.00 12.00 C ATOM 162 NE2 HIS A 10 -7.655 4.540 -1.329 1.00 12.00 N ATOM 0 H HIS A 10 -8.070 0.061 -0.647 1.00 12.00 H new ATOM 0 HA HIS A 10 -9.980 1.296 -2.594 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -6.976 0.723 -2.767 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -7.935 1.237 -4.141 1.00 12.00 H new ATOM 0 HD1 HIS A 10 -9.146 3.597 -3.989 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -6.579 2.708 -0.784 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -8.942 5.711 -2.567 1.00 12.00 H new ATOM 170 N ILE A 11 -9.072 -1.800 -2.484 1.00 12.00 N ATOM 171 CA ILE A 11 -9.366 -3.108 -3.147 1.00 12.00 C ATOM 172 C ILE A 11 -10.631 -3.797 -2.603 1.00 12.00 C ATOM 173 O ILE A 11 -10.578 -4.910 -2.088 1.00 12.00 O ATOM 174 CB ILE A 11 -8.154 -4.043 -3.037 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.918 -3.349 -3.611 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.432 -5.321 -3.836 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.172 -2.630 -2.489 1.00 12.00 C ATOM 0 H ILE A 11 -8.566 -1.858 -1.600 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.565 -2.888 -4.196 1.00 12.00 H new ATOM 0 HB ILE A 11 -7.978 -4.291 -1.990 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.265 -4.081 -4.086 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -7.213 -2.637 -4.382 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.575 -5.990 -3.762 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.315 -5.817 -3.433 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.604 -5.066 -4.882 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.291 -2.135 -2.897 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.827 -1.887 -2.034 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -5.865 -3.354 -1.734 1.00 12.00 H new ATOM 189 N ILE A 12 -11.773 -3.187 -2.805 1.00 12.00 N ATOM 190 CA ILE A 12 -13.053 -3.841 -2.414 1.00 12.00 C ATOM 191 C ILE A 12 -13.515 -4.600 -3.672 1.00 12.00 C ATOM 192 O ILE A 12 -14.448 -4.202 -4.349 1.00 12.00 O ATOM 193 CB ILE A 12 -14.092 -2.789 -2.014 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.545 -1.938 -0.858 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.375 -3.499 -1.579 1.00 12.00 C ATOM 196 CD1 ILE A 12 -14.587 -0.900 -0.417 1.00 12.00 C ATOM 0 H ILE A 12 -11.871 -2.263 -3.225 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.928 -4.504 -1.558 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.306 -2.137 -2.861 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -13.284 -2.580 -0.017 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.630 -1.434 -1.170 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -16.121 -2.758 -1.292 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.757 -4.098 -2.405 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -15.162 -4.147 -0.729 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -14.184 -0.305 0.403 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -14.827 -0.246 -1.256 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -15.491 -1.410 -0.085 1.00 12.00 H new ATOM 208 N ASN A 13 -12.808 -5.670 -4.006 1.00 12.00 N ATOM 209 CA ASN A 13 -13.122 -6.469 -5.242 1.00 12.00 C ATOM 210 C ASN A 13 -14.443 -7.235 -5.066 1.00 12.00 C ATOM 211 O ASN A 13 -14.462 -8.420 -4.757 1.00 12.00 O ATOM 212 CB ASN A 13 -11.984 -7.460 -5.544 1.00 12.00 C ATOM 213 CG ASN A 13 -11.913 -7.688 -7.057 1.00 12.00 C ATOM 214 OD1 ASN A 13 -12.925 -7.889 -7.700 1.00 12.00 O ATOM 215 ND2 ASN A 13 -10.755 -7.661 -7.658 1.00 12.00 N ATOM 0 H ASN A 13 -12.019 -6.023 -3.465 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.222 -5.777 -6.079 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -11.035 -7.068 -5.177 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -12.160 -8.404 -5.028 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -10.700 -7.808 -8.666 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -9.905 -7.492 -7.120 1.00 12.00 H new ATOM 222 N THR A 14 -15.542 -6.554 -5.287 1.00 12.00 N ATOM 223 CA THR A 14 -16.891 -7.188 -5.177 1.00 12.00 C ATOM 224 C THR A 14 -17.786 -6.561 -6.270 1.00 12.00 C ATOM 225 O THR A 14 -18.711 -5.822 -5.962 1.00 12.00 O ATOM 226 CB THR A 14 -17.478 -6.941 -3.777 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.132 -5.635 -3.335 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.924 -7.980 -2.805 1.00 12.00 C ATOM 0 H THR A 14 -15.559 -5.567 -5.544 1.00 12.00 H new ATOM 0 HA THR A 14 -16.828 -8.267 -5.318 1.00 12.00 H new ATOM 0 HB THR A 14 -18.564 -7.026 -3.818 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.470 -4.973 -3.974 1.00 12.00 H new ATOM 0 HG21 THR A 14 -17.339 -7.807 -1.812 1.00 12.00 H new ATOM 0 HG22 THR A 14 -17.199 -8.979 -3.144 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.838 -7.897 -2.764 1.00 12.00 H new ATOM 236 N PRO A 15 -17.478 -6.851 -7.536 1.00 12.00 N ATOM 237 CA PRO A 15 -18.242 -6.301 -8.667 1.00 12.00 C ATOM 238 C PRO A 15 -19.562 -7.066 -8.825 1.00 12.00 C ATOM 239 O PRO A 15 -19.687 -7.966 -9.642 1.00 12.00 O ATOM 240 CB PRO A 15 -17.313 -6.488 -9.872 1.00 12.00 C ATOM 241 CG PRO A 15 -16.326 -7.614 -9.496 1.00 12.00 C ATOM 242 CD PRO A 15 -16.359 -7.741 -7.959 1.00 12.00 C ATOM 0 HA PRO A 15 -18.520 -5.255 -8.540 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -17.882 -6.753 -10.763 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -16.780 -5.564 -10.097 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -16.614 -8.554 -9.968 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.320 -7.378 -9.843 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.532 -8.772 -7.649 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.414 -7.429 -7.514 1.00 12.00 H new ATOM 250 N ILE A 16 -20.542 -6.692 -8.034 1.00 12.00 N ATOM 251 CA ILE A 16 -21.885 -7.341 -8.086 1.00 12.00 C ATOM 252 C ILE A 16 -22.946 -6.235 -8.182 1.00 12.00 C ATOM 253 O ILE A 16 -22.620 -5.085 -8.439 1.00 12.00 O ATOM 254 CB ILE A 16 -22.104 -8.189 -6.820 1.00 12.00 C ATOM 255 CG1 ILE A 16 -21.768 -7.368 -5.569 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.197 -9.418 -6.870 1.00 12.00 C ATOM 257 CD1 ILE A 16 -22.175 -8.150 -4.316 1.00 12.00 C ATOM 0 H ILE A 16 -20.461 -5.948 -7.341 1.00 12.00 H new ATOM 0 HA ILE A 16 -21.958 -7.999 -8.952 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.149 -8.498 -6.777 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.701 -7.148 -5.542 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -22.290 -6.412 -5.598 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -21.350 -10.020 -5.974 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -21.437 -10.012 -7.752 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.156 -9.100 -6.919 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -21.935 -7.565 -3.428 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -23.247 -8.347 -4.342 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -21.633 -9.095 -4.285 1.00 12.00 H new ATOM 269 N ILE A 17 -24.202 -6.571 -7.991 1.00 12.00 N ATOM 270 CA ILE A 17 -25.289 -5.542 -8.079 1.00 12.00 C ATOM 271 C ILE A 17 -25.735 -5.137 -6.662 1.00 12.00 C ATOM 272 O ILE A 17 -26.907 -4.885 -6.415 1.00 12.00 O ATOM 273 CB ILE A 17 -26.466 -6.137 -8.864 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.914 -7.436 -8.187 1.00 12.00 C ATOM 275 CG2 ILE A 17 -26.032 -6.431 -10.310 1.00 12.00 C ATOM 276 CD1 ILE A 17 -28.354 -7.755 -8.592 1.00 12.00 C ATOM 0 H ILE A 17 -24.521 -7.516 -7.777 1.00 12.00 H new ATOM 0 HA ILE A 17 -24.925 -4.652 -8.592 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.292 -5.426 -8.879 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -26.255 -8.255 -8.475 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -26.844 -7.337 -7.104 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -26.871 -6.853 -10.863 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -25.711 -5.506 -10.789 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -25.206 -7.143 -10.305 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -28.671 -8.679 -8.110 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -29.008 -6.940 -8.281 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -28.410 -7.873 -9.674 1.00 12.00 H new ATOM 288 N ASN A 18 -24.800 -5.077 -5.730 1.00 12.00 N ATOM 289 CA ASN A 18 -25.149 -4.694 -4.312 1.00 12.00 C ATOM 290 C ASN A 18 -23.939 -4.042 -3.614 1.00 12.00 C ATOM 291 O ASN A 18 -23.059 -4.730 -3.115 1.00 12.00 O ATOM 292 CB ASN A 18 -25.559 -5.955 -3.534 1.00 12.00 C ATOM 293 CG ASN A 18 -26.610 -6.745 -4.320 1.00 12.00 C ATOM 294 OD1 ASN A 18 -27.745 -6.326 -4.432 1.00 12.00 O ATOM 295 ND2 ASN A 18 -26.274 -7.880 -4.873 1.00 12.00 N ATOM 0 H ASN A 18 -23.813 -5.276 -5.890 1.00 12.00 H new ATOM 0 HA ASN A 18 -25.972 -3.979 -4.334 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.684 -6.580 -3.353 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.958 -5.676 -2.559 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -26.965 -8.415 -5.399 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -25.321 -8.231 -4.778 1.00 12.00 H new ATOM 302 N CYS A 19 -23.902 -2.720 -3.564 1.00 12.00 N ATOM 303 CA CYS A 19 -22.758 -2.005 -2.876 1.00 12.00 C ATOM 304 C CYS A 19 -22.995 -1.941 -1.350 1.00 12.00 C ATOM 305 O CYS A 19 -22.145 -1.455 -0.622 1.00 12.00 O ATOM 306 CB CYS A 19 -22.608 -0.560 -3.401 1.00 12.00 C ATOM 307 SG CYS A 19 -22.529 -0.536 -5.213 1.00 12.00 S ATOM 0 H CYS A 19 -24.610 -2.107 -3.968 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.851 -2.569 -3.092 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.449 0.044 -3.061 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.705 -0.110 -2.987 1.00 12.00 H new ATOM 312 N ASN A 20 -24.141 -2.403 -0.862 1.00 12.00 N ATOM 313 CA ASN A 20 -24.429 -2.336 0.621 1.00 12.00 C ATOM 314 C ASN A 20 -23.779 -3.506 1.375 1.00 12.00 C ATOM 315 O ASN A 20 -23.113 -3.295 2.377 1.00 12.00 O ATOM 316 CB ASN A 20 -25.948 -2.348 0.869 1.00 12.00 C ATOM 317 CG ASN A 20 -26.614 -3.471 0.067 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.706 -4.591 0.530 1.00 12.00 O ATOM 319 ND2 ASN A 20 -27.095 -3.214 -1.119 1.00 12.00 N ATOM 0 H ASN A 20 -24.882 -2.820 -1.425 1.00 12.00 H new ATOM 0 HA ASN A 20 -24.002 -1.406 0.997 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -26.148 -2.484 1.932 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -26.376 -1.387 0.585 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.548 -3.953 -1.657 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -27.018 -2.274 -1.508 1.00 12.00 H new ATOM 326 N THR A 21 -23.983 -4.727 0.921 1.00 12.00 N ATOM 327 CA THR A 21 -23.400 -5.913 1.629 1.00 12.00 C ATOM 328 C THR A 21 -21.869 -5.894 1.538 1.00 12.00 C ATOM 329 O THR A 21 -21.198 -6.481 2.371 1.00 12.00 O ATOM 330 CB THR A 21 -23.953 -7.215 1.024 1.00 12.00 C ATOM 331 OG1 THR A 21 -25.362 -7.105 0.884 1.00 12.00 O ATOM 332 CG2 THR A 21 -23.625 -8.389 1.951 1.00 12.00 C ATOM 0 H THR A 21 -24.530 -4.950 0.089 1.00 12.00 H new ATOM 0 HA THR A 21 -23.684 -5.864 2.680 1.00 12.00 H new ATOM 0 HB THR A 21 -23.499 -7.385 0.048 1.00 12.00 H new ATOM 0 HG1 THR A 21 -25.622 -6.161 0.921 1.00 12.00 H new ATOM 0 HG21 THR A 21 -24.017 -9.311 1.522 1.00 12.00 H new ATOM 0 HG22 THR A 21 -22.544 -8.472 2.064 1.00 12.00 H new ATOM 0 HG23 THR A 21 -24.080 -8.220 2.927 1.00 12.00 H new ATOM 340 N ILE A 22 -21.312 -5.217 0.548 1.00 12.00 N ATOM 341 CA ILE A 22 -19.823 -5.150 0.413 1.00 12.00 C ATOM 342 C ILE A 22 -19.273 -4.020 1.295 1.00 12.00 C ATOM 343 O ILE A 22 -18.175 -4.118 1.820 1.00 12.00 O ATOM 344 CB ILE A 22 -19.447 -4.927 -1.056 1.00 12.00 C ATOM 345 CG1 ILE A 22 -20.012 -3.594 -1.553 1.00 12.00 C ATOM 346 CG2 ILE A 22 -20.030 -6.063 -1.897 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.464 -3.303 -2.952 1.00 12.00 C ATOM 0 H ILE A 22 -21.831 -4.710 -0.169 1.00 12.00 H new ATOM 0 HA ILE A 22 -19.383 -6.091 0.743 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.361 -4.908 -1.147 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -21.101 -3.634 -1.577 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -19.738 -2.792 -0.868 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -19.767 -5.912 -2.944 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -19.624 -7.015 -1.554 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -21.115 -6.073 -1.793 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.864 -2.354 -3.309 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.376 -3.246 -2.912 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -19.761 -4.101 -3.632 1.00 12.00 H new ATOM 359 N MET A 23 -20.037 -2.956 1.460 1.00 12.00 N ATOM 360 CA MET A 23 -19.589 -1.802 2.308 1.00 12.00 C ATOM 361 C MET A 23 -20.093 -1.963 3.754 1.00 12.00 C ATOM 362 O MET A 23 -19.864 -1.098 4.583 1.00 12.00 O ATOM 363 CB MET A 23 -20.148 -0.500 1.720 1.00 12.00 C ATOM 364 CG MET A 23 -19.541 0.709 2.443 1.00 12.00 C ATOM 365 SD MET A 23 -20.868 1.692 3.185 1.00 12.00 S ATOM 366 CE MET A 23 -21.404 2.531 1.675 1.00 12.00 C ATOM 0 H MET A 23 -20.959 -2.841 1.038 1.00 12.00 H new ATOM 0 HA MET A 23 -18.499 -1.775 2.318 1.00 12.00 H new ATOM 0 HB2 MET A 23 -19.923 -0.447 0.655 1.00 12.00 H new ATOM 0 HB3 MET A 23 -21.234 -0.484 1.818 1.00 12.00 H new ATOM 0 HG2 MET A 23 -18.846 0.375 3.213 1.00 12.00 H new ATOM 0 HG3 MET A 23 -18.971 1.318 1.742 1.00 12.00 H new ATOM 0 HE1 MET A 23 -21.567 3.588 1.884 1.00 12.00 H new ATOM 0 HE2 MET A 23 -20.636 2.427 0.909 1.00 12.00 H new ATOM 0 HE3 MET A 23 -22.333 2.084 1.321 1.00 12.00 H new ATOM 376 N ASP A 24 -20.763 -3.062 4.062 1.00 12.00 N ATOM 377 CA ASP A 24 -21.272 -3.287 5.457 1.00 12.00 C ATOM 378 C ASP A 24 -20.066 -3.390 6.405 1.00 12.00 C ATOM 379 O ASP A 24 -19.512 -4.460 6.606 1.00 12.00 O ATOM 380 CB ASP A 24 -22.085 -4.593 5.492 1.00 12.00 C ATOM 381 CG ASP A 24 -23.516 -4.379 4.953 1.00 12.00 C ATOM 382 OD1 ASP A 24 -23.912 -3.239 4.738 1.00 12.00 O ATOM 383 OD2 ASP A 24 -24.202 -5.373 4.774 1.00 12.00 O ATOM 0 H ASP A 24 -20.977 -3.810 3.403 1.00 12.00 H new ATOM 0 HA ASP A 24 -21.913 -2.462 5.769 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -21.580 -5.354 4.897 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -22.132 -4.967 6.515 1.00 12.00 H new ATOM 388 N ASN A 25 -19.650 -2.273 6.969 1.00 12.00 N ATOM 389 CA ASN A 25 -18.473 -2.266 7.890 1.00 12.00 C ATOM 390 C ASN A 25 -18.383 -0.907 8.580 1.00 12.00 C ATOM 391 O ASN A 25 -18.748 0.108 8.007 1.00 12.00 O ATOM 392 CB ASN A 25 -17.194 -2.506 7.072 1.00 12.00 C ATOM 393 CG ASN A 25 -16.000 -2.834 7.988 1.00 12.00 C ATOM 394 OD1 ASN A 25 -16.152 -3.064 9.174 1.00 12.00 O ATOM 395 ND2 ASN A 25 -14.802 -2.877 7.472 1.00 12.00 N ATOM 0 H ASN A 25 -20.084 -1.361 6.825 1.00 12.00 H new ATOM 0 HA ASN A 25 -18.584 -3.050 8.639 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -17.355 -3.326 6.373 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -16.968 -1.621 6.478 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -14.001 -3.102 8.061 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -14.667 -2.685 6.479 1.00 12.00 H new ATOM 402 N ASN A 26 -17.889 -0.884 9.799 1.00 12.00 N ATOM 403 CA ASN A 26 -17.746 0.407 10.549 1.00 12.00 C ATOM 404 C ASN A 26 -16.678 1.290 9.882 1.00 12.00 C ATOM 405 O ASN A 26 -16.552 2.456 10.218 1.00 12.00 O ATOM 406 CB ASN A 26 -17.328 0.113 11.990 1.00 12.00 C ATOM 407 CG ASN A 26 -18.495 -0.537 12.736 1.00 12.00 C ATOM 408 OD1 ASN A 26 -18.465 -1.717 13.024 1.00 12.00 O ATOM 409 ND2 ASN A 26 -19.528 0.189 13.065 1.00 12.00 N ATOM 0 H ASN A 26 -17.577 -1.711 10.309 1.00 12.00 H new ATOM 0 HA ASN A 26 -18.701 0.931 10.539 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -16.462 -0.548 12.001 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -17.031 1.035 12.489 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -20.311 -0.234 13.564 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -19.553 1.180 12.823 1.00 12.00 H new ATOM 416 N ILE A 27 -15.912 0.746 8.944 1.00 12.00 N ATOM 417 CA ILE A 27 -14.852 1.549 8.252 1.00 12.00 C ATOM 418 C ILE A 27 -15.449 2.324 7.059 1.00 12.00 C ATOM 419 O ILE A 27 -14.713 2.890 6.264 1.00 12.00 O ATOM 420 CB ILE A 27 -13.756 0.604 7.748 1.00 12.00 C ATOM 421 CG1 ILE A 27 -13.246 -0.249 8.910 1.00 12.00 C ATOM 422 CG2 ILE A 27 -12.594 1.417 7.172 1.00 12.00 C ATOM 423 CD1 ILE A 27 -12.289 -1.316 8.376 1.00 12.00 C ATOM 0 H ILE A 27 -15.983 -0.223 8.634 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.434 2.266 8.959 1.00 12.00 H new ATOM 0 HB ILE A 27 -14.168 -0.040 6.971 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -12.736 0.379 9.640 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -14.083 -0.721 9.424 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -11.818 0.740 6.815 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -12.953 2.027 6.343 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -12.183 2.064 7.947 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -11.925 -1.925 9.203 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -12.814 -1.951 7.662 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -11.446 -0.834 7.882 1.00 12.00 H new ATOM 435 N TYR A 28 -16.766 2.354 6.927 1.00 12.00 N ATOM 436 CA TYR A 28 -17.416 3.089 5.786 1.00 12.00 C ATOM 437 C TYR A 28 -18.719 3.774 6.283 1.00 12.00 C ATOM 438 O TYR A 28 -19.811 3.422 5.853 1.00 12.00 O ATOM 439 CB TYR A 28 -17.749 2.086 4.661 1.00 12.00 C ATOM 440 CG TYR A 28 -16.493 1.692 3.929 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.763 2.657 3.229 1.00 12.00 C ATOM 442 CD2 TYR A 28 -16.060 0.359 3.947 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.600 2.293 2.546 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.895 -0.004 3.264 1.00 12.00 C ATOM 445 CZ TYR A 28 -14.164 0.963 2.562 1.00 12.00 C ATOM 446 OH TYR A 28 -13.014 0.603 1.888 1.00 12.00 O ATOM 0 H TYR A 28 -17.417 1.898 7.566 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.736 3.851 5.405 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.226 1.201 5.082 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.460 2.531 3.965 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -16.098 3.684 3.216 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -16.625 -0.386 4.487 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -14.037 3.039 2.005 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -14.559 -1.030 3.278 1.00 12.00 H new ATOM 0 HH TYR A 28 -12.898 -0.369 1.936 1.00 12.00 H new ATOM 456 N ILE A 29 -18.626 4.738 7.201 1.00 12.00 N ATOM 457 CA ILE A 29 -19.873 5.407 7.718 1.00 12.00 C ATOM 458 C ILE A 29 -19.648 6.905 7.930 1.00 12.00 C ATOM 459 O ILE A 29 -18.545 7.356 8.193 1.00 12.00 O ATOM 460 CB ILE A 29 -20.276 4.778 9.058 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.355 3.256 8.914 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.647 5.317 9.483 1.00 12.00 C ATOM 463 CD1 ILE A 29 -20.525 2.621 10.295 1.00 12.00 C ATOM 0 H ILE A 29 -17.752 5.078 7.602 1.00 12.00 H new ATOM 0 HA ILE A 29 -20.661 5.268 6.978 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.530 5.032 9.811 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -21.192 2.984 8.271 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.451 2.878 8.437 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -21.934 4.871 10.435 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -21.594 6.400 9.591 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -22.388 5.064 8.725 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -20.581 1.537 10.193 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -19.673 2.882 10.923 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -21.442 2.990 10.755 1.00 12.00 H new ATOM 475 N VAL A 30 -20.720 7.658 7.844 1.00 12.00 N ATOM 476 CA VAL A 30 -20.669 9.144 8.064 1.00 12.00 C ATOM 477 C VAL A 30 -21.370 9.438 9.407 1.00 12.00 C ATOM 478 O VAL A 30 -21.976 8.548 9.987 1.00 12.00 O ATOM 479 CB VAL A 30 -21.404 9.830 6.896 1.00 12.00 C ATOM 480 CG1 VAL A 30 -21.379 11.349 7.063 1.00 12.00 C ATOM 481 CG2 VAL A 30 -20.703 9.464 5.585 1.00 12.00 C ATOM 0 H VAL A 30 -21.649 7.299 7.626 1.00 12.00 H new ATOM 0 HA VAL A 30 -19.646 9.518 8.100 1.00 12.00 H new ATOM 0 HB VAL A 30 -22.440 9.493 6.884 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -21.903 11.815 6.229 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -21.870 11.620 7.997 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -20.346 11.696 7.082 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -21.216 9.945 4.752 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -19.668 9.804 5.619 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -20.726 8.383 5.450 1.00 12.00 H new ATOM 491 N GLY A 31 -21.287 10.656 9.917 1.00 12.00 N ATOM 492 CA GLY A 31 -21.942 10.973 11.229 1.00 12.00 C ATOM 493 C GLY A 31 -23.367 11.462 10.976 1.00 12.00 C ATOM 494 O GLY A 31 -23.761 12.519 11.436 1.00 12.00 O ATOM 0 H GLY A 31 -20.796 11.436 9.480 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -21.956 10.088 11.865 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -21.372 11.736 11.758 1.00 12.00 H new ATOM 498 N GLY A 32 -24.133 10.675 10.251 1.00 12.00 N ATOM 499 CA GLY A 32 -25.548 11.034 9.941 1.00 12.00 C ATOM 500 C GLY A 32 -26.286 9.793 9.429 1.00 12.00 C ATOM 501 O GLY A 32 -27.296 9.394 9.987 1.00 12.00 O ATOM 0 H GLY A 32 -23.827 9.785 9.857 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -26.040 11.422 10.833 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -25.579 11.824 9.191 1.00 12.00 H new ATOM 505 N GLN A 33 -25.786 9.189 8.365 1.00 12.00 N ATOM 506 CA GLN A 33 -26.442 7.970 7.784 1.00 12.00 C ATOM 507 C GLN A 33 -25.477 7.312 6.791 1.00 12.00 C ATOM 508 O GLN A 33 -24.915 6.265 7.065 1.00 12.00 O ATOM 509 CB GLN A 33 -27.739 8.387 7.074 1.00 12.00 C ATOM 510 CG GLN A 33 -28.433 7.164 6.464 1.00 12.00 C ATOM 511 CD GLN A 33 -29.423 6.591 7.477 1.00 12.00 C ATOM 512 OE1 GLN A 33 -29.034 5.924 8.414 1.00 12.00 O ATOM 513 NE2 GLN A 33 -30.698 6.823 7.324 1.00 12.00 N ATOM 0 H GLN A 33 -24.945 9.494 7.874 1.00 12.00 H new ATOM 0 HA GLN A 33 -26.684 7.257 8.572 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -28.407 8.876 7.782 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -27.516 9.113 6.293 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.953 7.445 5.548 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -27.695 6.410 6.192 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -31.023 7.384 6.536 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -31.369 6.444 7.992 1.00 12.00 H new ATOM 522 N CYS A 34 -25.290 7.933 5.642 1.00 12.00 N ATOM 523 CA CYS A 34 -24.366 7.380 4.601 1.00 12.00 C ATOM 524 C CYS A 34 -23.863 8.530 3.721 1.00 12.00 C ATOM 525 O CYS A 34 -24.601 9.454 3.423 1.00 12.00 O ATOM 526 CB CYS A 34 -25.111 6.349 3.744 1.00 12.00 C ATOM 527 SG CYS A 34 -26.484 7.143 2.867 1.00 12.00 S ATOM 0 H CYS A 34 -25.745 8.808 5.384 1.00 12.00 H new ATOM 0 HA CYS A 34 -23.518 6.890 5.080 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -24.425 5.896 3.028 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -25.489 5.545 4.375 1.00 12.00 H new ATOM 532 N LYS A 35 -22.609 8.475 3.317 1.00 12.00 N ATOM 533 CA LYS A 35 -22.021 9.561 2.462 1.00 12.00 C ATOM 534 C LYS A 35 -22.771 9.639 1.130 1.00 12.00 C ATOM 535 O LYS A 35 -23.734 8.924 0.914 1.00 12.00 O ATOM 536 CB LYS A 35 -20.540 9.259 2.193 1.00 12.00 C ATOM 537 CG LYS A 35 -19.733 10.567 2.190 1.00 12.00 C ATOM 538 CD LYS A 35 -18.899 10.664 0.909 1.00 12.00 C ATOM 539 CE LYS A 35 -18.214 12.030 0.854 1.00 12.00 C ATOM 540 NZ LYS A 35 -19.216 13.072 0.494 1.00 12.00 N ATOM 0 H LYS A 35 -21.965 7.718 3.546 1.00 12.00 H new ATOM 0 HA LYS A 35 -22.112 10.513 2.984 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -20.153 8.584 2.956 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -20.431 8.752 1.234 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -20.407 11.420 2.260 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -19.081 10.604 3.062 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -18.153 9.869 0.886 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -19.536 10.529 0.035 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -17.763 12.262 1.819 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -17.408 12.016 0.120 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -18.724 13.937 0.192 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -19.814 12.725 -0.283 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -19.811 13.282 1.321 1.00 12.00 H new ATOM 554 N ARG A 36 -22.328 10.509 0.245 1.00 12.00 N ATOM 555 CA ARG A 36 -22.993 10.658 -1.093 1.00 12.00 C ATOM 556 C ARG A 36 -22.168 9.972 -2.187 1.00 12.00 C ATOM 557 O ARG A 36 -22.533 10.034 -3.350 1.00 12.00 O ATOM 558 CB ARG A 36 -23.129 12.143 -1.437 1.00 12.00 C ATOM 559 CG ARG A 36 -24.129 12.810 -0.485 1.00 12.00 C ATOM 560 CD ARG A 36 -23.378 13.595 0.597 1.00 12.00 C ATOM 561 NE ARG A 36 -23.520 12.900 1.906 1.00 12.00 N ATOM 562 CZ ARG A 36 -24.345 13.366 2.802 1.00 12.00 C ATOM 563 NH1 ARG A 36 -25.595 12.994 2.792 1.00 12.00 N ATOM 564 NH2 ARG A 36 -23.922 14.211 3.704 1.00 12.00 N ATOM 0 H ARG A 36 -21.529 11.125 0.395 1.00 12.00 H new ATOM 0 HA ARG A 36 -23.977 10.191 -1.040 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -22.158 12.633 -1.361 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -23.464 12.257 -2.468 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -24.784 13.479 -1.043 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -24.764 12.054 -0.023 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -22.324 13.682 0.332 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -23.774 14.608 0.667 1.00 12.00 H new ATOM 0 HE ARG A 36 -22.973 12.061 2.101 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -25.927 12.339 2.084 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -26.241 13.358 3.492 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -22.946 14.507 3.708 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -24.568 14.575 4.404 1.00 12.00 H new ATOM 578 N VAL A 37 -21.067 9.324 -1.840 1.00 12.00 N ATOM 579 CA VAL A 37 -20.238 8.641 -2.883 1.00 12.00 C ATOM 580 C VAL A 37 -19.307 7.605 -2.231 1.00 12.00 C ATOM 581 O VAL A 37 -18.361 7.941 -1.536 1.00 12.00 O ATOM 582 CB VAL A 37 -19.453 9.708 -3.691 1.00 12.00 C ATOM 583 CG1 VAL A 37 -18.234 10.232 -2.916 1.00 12.00 C ATOM 584 CG2 VAL A 37 -18.991 9.094 -5.015 1.00 12.00 C ATOM 0 H VAL A 37 -20.716 9.244 -0.886 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.882 8.098 -3.575 1.00 12.00 H new ATOM 0 HB VAL A 37 -20.118 10.552 -3.872 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -17.713 10.977 -3.518 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -18.565 10.687 -1.982 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -17.559 9.405 -2.698 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -18.438 9.839 -5.588 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -18.346 8.239 -4.814 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -19.859 8.767 -5.587 1.00 12.00 H new ATOM 594 N ASN A 38 -19.577 6.346 -2.481 1.00 12.00 N ATOM 595 CA ASN A 38 -18.727 5.244 -1.934 1.00 12.00 C ATOM 596 C ASN A 38 -17.866 4.744 -3.095 1.00 12.00 C ATOM 597 O ASN A 38 -18.199 3.781 -3.775 1.00 12.00 O ATOM 598 CB ASN A 38 -19.603 4.108 -1.369 1.00 12.00 C ATOM 599 CG ASN A 38 -20.707 4.691 -0.477 1.00 12.00 C ATOM 600 OD1 ASN A 38 -21.815 4.195 -0.460 1.00 12.00 O ATOM 601 ND2 ASN A 38 -20.451 5.734 0.265 1.00 12.00 N ATOM 0 H ASN A 38 -20.363 6.032 -3.050 1.00 12.00 H new ATOM 0 HA ASN A 38 -18.105 5.598 -1.112 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -20.047 3.539 -2.186 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.988 3.415 -0.795 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -21.181 6.130 0.857 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -19.521 6.153 0.253 1.00 12.00 H new ATOM 608 N THR A 39 -16.784 5.446 -3.354 1.00 12.00 N ATOM 609 CA THR A 39 -15.891 5.095 -4.496 1.00 12.00 C ATOM 610 C THR A 39 -14.916 3.985 -4.114 1.00 12.00 C ATOM 611 O THR A 39 -13.993 4.196 -3.344 1.00 12.00 O ATOM 612 CB THR A 39 -15.089 6.332 -4.918 1.00 12.00 C ATOM 613 OG1 THR A 39 -15.935 7.472 -4.908 1.00 12.00 O ATOM 614 CG2 THR A 39 -14.521 6.129 -6.326 1.00 12.00 C ATOM 0 H THR A 39 -16.483 6.256 -2.812 1.00 12.00 H new ATOM 0 HA THR A 39 -16.516 4.746 -5.318 1.00 12.00 H new ATOM 0 HB THR A 39 -14.267 6.482 -4.218 1.00 12.00 H new ATOM 0 HG1 THR A 39 -15.422 8.263 -5.176 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.952 7.011 -6.620 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.867 5.257 -6.332 1.00 12.00 H new ATOM 0 HG23 THR A 39 -15.339 5.974 -7.029 1.00 12.00 H new ATOM 622 N PHE A 40 -15.102 2.822 -4.687 1.00 12.00 N ATOM 623 CA PHE A 40 -14.184 1.665 -4.425 1.00 12.00 C ATOM 624 C PHE A 40 -13.300 1.492 -5.668 1.00 12.00 C ATOM 625 O PHE A 40 -13.645 1.987 -6.726 1.00 12.00 O ATOM 626 CB PHE A 40 -15.008 0.387 -4.202 1.00 12.00 C ATOM 627 CG PHE A 40 -16.185 0.666 -3.293 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.983 1.247 -2.035 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.480 0.338 -3.712 1.00 12.00 C ATOM 630 CE1 PHE A 40 -17.075 1.500 -1.198 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.572 0.589 -2.874 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.370 1.170 -1.617 1.00 12.00 C ATOM 0 H PHE A 40 -15.863 2.620 -5.336 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.579 1.848 -3.537 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.363 0.005 -5.159 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.378 -0.387 -3.764 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.984 1.500 -1.711 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.636 -0.109 -4.683 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.919 1.950 -0.229 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.571 0.334 -3.197 1.00 12.00 H new ATOM 0 HZ PHE A 40 -19.213 1.364 -0.970 1.00 12.00 H new ATOM 642 N ILE A 41 -12.175 0.807 -5.562 1.00 12.00 N ATOM 643 CA ILE A 41 -11.294 0.614 -6.762 1.00 12.00 C ATOM 644 C ILE A 41 -11.196 -0.883 -7.073 1.00 12.00 C ATOM 645 O ILE A 41 -11.020 -1.698 -6.182 1.00 12.00 O ATOM 646 CB ILE A 41 -9.904 1.215 -6.487 1.00 12.00 C ATOM 647 CG1 ILE A 41 -10.043 2.732 -6.258 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.971 0.955 -7.675 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.636 3.415 -7.498 1.00 12.00 C ATOM 0 H ILE A 41 -11.835 0.378 -4.701 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.718 1.125 -7.626 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.480 0.747 -5.599 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -10.681 2.918 -5.394 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -9.067 3.162 -6.032 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.991 1.385 -7.469 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.871 -0.119 -7.831 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.387 1.414 -8.572 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.726 4.486 -7.316 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -9.982 3.246 -8.354 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -11.621 2.998 -7.706 1.00 12.00 H new ATOM 661 N ILE A 42 -11.313 -1.236 -8.336 1.00 12.00 N ATOM 662 CA ILE A 42 -11.232 -2.678 -8.745 1.00 12.00 C ATOM 663 C ILE A 42 -9.868 -2.919 -9.405 1.00 12.00 C ATOM 664 O ILE A 42 -9.603 -2.439 -10.490 1.00 12.00 O ATOM 665 CB ILE A 42 -12.397 -3.014 -9.710 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.214 -4.416 -10.316 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.479 -1.987 -10.845 1.00 12.00 C ATOM 668 CD1 ILE A 42 -12.365 -5.476 -9.224 1.00 12.00 C ATOM 0 H ILE A 42 -11.462 -0.582 -9.104 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.325 -3.331 -7.877 1.00 12.00 H new ATOM 0 HB ILE A 42 -13.321 -2.986 -9.132 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -12.952 -4.582 -11.101 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.231 -4.496 -10.780 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.304 -2.244 -11.509 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.646 -0.995 -10.426 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.545 -1.991 -11.408 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -12.235 -6.467 -9.658 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -11.610 -5.315 -8.454 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -13.358 -5.402 -8.780 1.00 12.00 H new ATOM 680 N SER A 43 -9.004 -3.656 -8.734 1.00 12.00 N ATOM 681 CA SER A 43 -7.634 -3.944 -9.285 1.00 12.00 C ATOM 682 C SER A 43 -6.814 -4.697 -8.230 1.00 12.00 C ATOM 683 O SER A 43 -7.022 -4.519 -7.042 1.00 12.00 O ATOM 684 CB SER A 43 -6.925 -2.621 -9.631 1.00 12.00 C ATOM 685 OG SER A 43 -5.563 -2.871 -9.960 1.00 12.00 O ATOM 0 H SER A 43 -9.192 -4.073 -7.822 1.00 12.00 H new ATOM 0 HA SER A 43 -7.726 -4.551 -10.186 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.427 -2.138 -10.469 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.984 -1.935 -8.786 1.00 12.00 H new ATOM 0 HG SER A 43 -5.345 -2.431 -10.808 1.00 12.00 H new ATOM 691 N SER A 44 -5.879 -5.523 -8.663 1.00 12.00 N ATOM 692 CA SER A 44 -5.020 -6.286 -7.694 1.00 12.00 C ATOM 693 C SER A 44 -4.247 -5.276 -6.832 1.00 12.00 C ATOM 694 O SER A 44 -3.592 -4.383 -7.349 1.00 12.00 O ATOM 695 CB SER A 44 -4.043 -7.200 -8.454 1.00 12.00 C ATOM 696 OG SER A 44 -3.373 -6.452 -9.459 1.00 12.00 O ATOM 0 H SER A 44 -5.676 -5.700 -9.647 1.00 12.00 H new ATOM 0 HA SER A 44 -5.644 -6.914 -7.058 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.318 -7.629 -7.762 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.584 -8.032 -8.906 1.00 12.00 H new ATOM 0 HG SER A 44 -2.642 -6.987 -9.832 1.00 12.00 H new ATOM 702 N ALA A 45 -4.351 -5.400 -5.523 1.00 12.00 N ATOM 703 CA ALA A 45 -3.666 -4.445 -4.592 1.00 12.00 C ATOM 704 C ALA A 45 -2.167 -4.378 -4.888 1.00 12.00 C ATOM 705 O ALA A 45 -1.541 -3.354 -4.668 1.00 12.00 O ATOM 706 CB ALA A 45 -3.871 -4.904 -3.146 1.00 12.00 C ATOM 0 H ALA A 45 -4.889 -6.132 -5.059 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.098 -3.455 -4.736 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.373 -4.209 -2.470 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.937 -4.929 -2.920 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.449 -5.901 -3.017 1.00 12.00 H new ATOM 712 N THR A 46 -1.588 -5.465 -5.358 1.00 12.00 N ATOM 713 CA THR A 46 -0.119 -5.484 -5.648 1.00 12.00 C ATOM 714 C THR A 46 0.199 -4.706 -6.934 1.00 12.00 C ATOM 715 O THR A 46 1.251 -4.094 -7.025 1.00 12.00 O ATOM 716 CB THR A 46 0.375 -6.928 -5.751 1.00 12.00 C ATOM 717 OG1 THR A 46 1.758 -6.932 -6.085 1.00 12.00 O ATOM 718 CG2 THR A 46 -0.408 -7.690 -6.823 1.00 12.00 C ATOM 0 H THR A 46 -2.075 -6.340 -5.552 1.00 12.00 H new ATOM 0 HA THR A 46 0.402 -4.993 -4.826 1.00 12.00 H new ATOM 0 HB THR A 46 0.223 -7.419 -4.790 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.076 -7.857 -6.150 1.00 12.00 H new ATOM 0 HG21 THR A 46 -0.042 -8.715 -6.881 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.467 -7.697 -6.564 1.00 12.00 H new ATOM 0 HG23 THR A 46 -0.274 -7.201 -7.788 1.00 12.00 H new ATOM 726 N THR A 47 -0.699 -4.688 -7.915 1.00 12.00 N ATOM 727 CA THR A 47 -0.419 -3.899 -9.170 1.00 12.00 C ATOM 728 C THR A 47 -0.334 -2.421 -8.773 1.00 12.00 C ATOM 729 O THR A 47 0.464 -1.663 -9.315 1.00 12.00 O ATOM 730 CB THR A 47 -1.491 -4.132 -10.269 1.00 12.00 C ATOM 731 OG1 THR A 47 -1.029 -3.550 -11.481 1.00 12.00 O ATOM 732 CG2 THR A 47 -2.848 -3.507 -9.911 1.00 12.00 C ATOM 0 H THR A 47 -1.594 -5.177 -7.897 1.00 12.00 H new ATOM 0 HA THR A 47 0.521 -4.233 -9.609 1.00 12.00 H new ATOM 0 HB THR A 47 -1.638 -5.208 -10.367 1.00 12.00 H new ATOM 0 HG1 THR A 47 -1.695 -3.690 -12.186 1.00 12.00 H new ATOM 0 HG21 THR A 47 -3.560 -3.700 -10.713 1.00 12.00 H new ATOM 0 HG22 THR A 47 -3.218 -3.946 -8.984 1.00 12.00 H new ATOM 0 HG23 THR A 47 -2.730 -2.431 -9.781 1.00 12.00 H new ATOM 740 N VAL A 48 -1.119 -2.035 -7.787 1.00 12.00 N ATOM 741 CA VAL A 48 -1.077 -0.637 -7.280 1.00 12.00 C ATOM 742 C VAL A 48 0.225 -0.476 -6.486 1.00 12.00 C ATOM 743 O VAL A 48 0.862 0.565 -6.512 1.00 12.00 O ATOM 744 CB VAL A 48 -2.275 -0.379 -6.356 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.336 1.110 -6.016 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.570 -0.791 -7.063 1.00 12.00 C ATOM 0 H VAL A 48 -1.789 -2.641 -7.314 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.120 0.071 -8.108 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.161 -0.962 -5.442 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.186 1.299 -5.360 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.416 1.406 -5.513 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.450 1.688 -6.933 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.419 -0.607 -6.404 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -3.687 -0.209 -7.977 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.527 -1.851 -7.312 1.00 12.00 H new ATOM 756 N LYS A 49 0.617 -1.529 -5.789 1.00 12.00 N ATOM 757 CA LYS A 49 1.874 -1.510 -4.980 1.00 12.00 C ATOM 758 C LYS A 49 3.081 -1.314 -5.906 1.00 12.00 C ATOM 759 O LYS A 49 4.137 -0.895 -5.460 1.00 12.00 O ATOM 760 CB LYS A 49 2.020 -2.841 -4.226 1.00 12.00 C ATOM 761 CG LYS A 49 3.232 -2.774 -3.291 1.00 12.00 C ATOM 762 CD LYS A 49 3.478 -4.152 -2.665 1.00 12.00 C ATOM 763 CE LYS A 49 4.241 -5.046 -3.649 1.00 12.00 C ATOM 764 NZ LYS A 49 5.556 -5.429 -3.058 1.00 12.00 N ATOM 0 H LYS A 49 0.105 -2.410 -5.752 1.00 12.00 H new ATOM 0 HA LYS A 49 1.829 -0.689 -4.265 1.00 12.00 H new ATOM 0 HB2 LYS A 49 1.116 -3.046 -3.652 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.140 -3.660 -4.935 1.00 12.00 H new ATOM 0 HG2 LYS A 49 4.114 -2.453 -3.845 1.00 12.00 H new ATOM 0 HG3 LYS A 49 3.060 -2.034 -2.509 1.00 12.00 H new ATOM 0 HD2 LYS A 49 4.047 -4.045 -1.742 1.00 12.00 H new ATOM 0 HD3 LYS A 49 2.527 -4.616 -2.401 1.00 12.00 H new ATOM 0 HE2 LYS A 49 3.657 -5.939 -3.873 1.00 12.00 H new ATOM 0 HE3 LYS A 49 4.393 -4.520 -4.591 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.073 -6.036 -3.726 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 6.113 -4.572 -2.866 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 5.400 -5.947 -2.170 1.00 12.00 H new ATOM 778 N ALA A 50 2.931 -1.617 -7.186 1.00 12.00 N ATOM 779 CA ALA A 50 4.064 -1.455 -8.148 1.00 12.00 C ATOM 780 C ALA A 50 4.165 0.010 -8.594 1.00 12.00 C ATOM 781 O ALA A 50 5.259 0.532 -8.739 1.00 12.00 O ATOM 782 CB ALA A 50 3.855 -2.372 -9.361 1.00 12.00 C ATOM 0 H ALA A 50 2.067 -1.970 -7.597 1.00 12.00 H new ATOM 0 HA ALA A 50 4.995 -1.735 -7.656 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.684 -2.249 -10.058 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.811 -3.409 -9.030 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.921 -2.110 -9.859 1.00 12.00 H new ATOM 788 N ILE A 51 3.040 0.677 -8.815 1.00 12.00 N ATOM 789 CA ILE A 51 3.084 2.112 -9.256 1.00 12.00 C ATOM 790 C ILE A 51 3.582 3.025 -8.123 1.00 12.00 C ATOM 791 O ILE A 51 3.983 4.150 -8.375 1.00 12.00 O ATOM 792 CB ILE A 51 1.685 2.553 -9.692 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.698 2.448 -8.518 1.00 12.00 C ATOM 794 CG2 ILE A 51 1.218 1.654 -10.833 1.00 12.00 C ATOM 795 CD1 ILE A 51 -0.292 3.620 -8.565 1.00 12.00 C ATOM 0 H ILE A 51 2.104 0.287 -8.708 1.00 12.00 H new ATOM 0 HA ILE A 51 3.779 2.195 -10.092 1.00 12.00 H new ATOM 0 HB ILE A 51 1.722 3.591 -10.022 1.00 12.00 H new ATOM 0 HG12 ILE A 51 0.159 1.502 -8.568 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.241 2.456 -7.573 1.00 12.00 H new ATOM 0 HG21 ILE A 51 0.221 1.959 -11.152 1.00 12.00 H new ATOM 0 HG22 ILE A 51 1.910 1.741 -11.671 1.00 12.00 H new ATOM 0 HG23 ILE A 51 1.189 0.619 -10.492 1.00 12.00 H new ATOM 0 HD11 ILE A 51 -0.989 3.541 -7.731 1.00 12.00 H new ATOM 0 HD12 ILE A 51 0.254 4.561 -8.494 1.00 12.00 H new ATOM 0 HD13 ILE A 51 -0.845 3.592 -9.504 1.00 12.00 H new ATOM 807 N CYS A 52 3.542 2.559 -6.887 1.00 12.00 N ATOM 808 CA CYS A 52 3.990 3.403 -5.735 1.00 12.00 C ATOM 809 C CYS A 52 5.314 2.869 -5.161 1.00 12.00 C ATOM 810 O CYS A 52 5.615 3.069 -3.994 1.00 12.00 O ATOM 811 CB CYS A 52 2.899 3.386 -4.651 1.00 12.00 C ATOM 812 SG CYS A 52 2.541 5.076 -4.103 1.00 12.00 S ATOM 0 H CYS A 52 3.216 1.626 -6.633 1.00 12.00 H new ATOM 0 HA CYS A 52 4.154 4.425 -6.077 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.993 2.923 -5.042 1.00 12.00 H new ATOM 0 HB3 CYS A 52 3.226 2.782 -3.804 1.00 12.00 H new ATOM 817 N THR A 53 6.109 2.202 -5.978 1.00 12.00 N ATOM 818 CA THR A 53 7.425 1.655 -5.499 1.00 12.00 C ATOM 819 C THR A 53 8.542 2.643 -5.840 1.00 12.00 C ATOM 820 O THR A 53 8.909 2.793 -6.993 1.00 12.00 O ATOM 821 CB THR A 53 7.718 0.316 -6.180 1.00 12.00 C ATOM 822 OG1 THR A 53 6.524 -0.447 -6.260 1.00 12.00 O ATOM 823 CG2 THR A 53 8.762 -0.449 -5.365 1.00 12.00 C ATOM 0 H THR A 53 5.900 2.014 -6.958 1.00 12.00 H new ATOM 0 HA THR A 53 7.374 1.508 -4.420 1.00 12.00 H new ATOM 0 HB THR A 53 8.100 0.494 -7.185 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.919 -0.184 -5.536 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.973 -1.403 -5.848 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.679 0.138 -5.306 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.380 -0.627 -4.360 1.00 12.00 H new ATOM 831 N GLY A 54 9.080 3.310 -4.838 1.00 12.00 N ATOM 832 CA GLY A 54 10.182 4.298 -5.076 1.00 12.00 C ATOM 833 C GLY A 54 10.930 4.595 -3.769 1.00 12.00 C ATOM 834 O GLY A 54 12.137 4.432 -3.696 1.00 12.00 O ATOM 0 H GLY A 54 8.799 3.209 -3.863 1.00 12.00 H new ATOM 0 HA2 GLY A 54 10.877 3.905 -5.818 1.00 12.00 H new ATOM 0 HA3 GLY A 54 9.769 5.221 -5.483 1.00 12.00 H new ATOM 838 N VAL A 55 10.223 5.054 -2.752 1.00 12.00 N ATOM 839 CA VAL A 55 10.875 5.398 -1.445 1.00 12.00 C ATOM 840 C VAL A 55 9.811 5.341 -0.316 1.00 12.00 C ATOM 841 O VAL A 55 8.654 5.053 -0.580 1.00 12.00 O ATOM 842 CB VAL A 55 11.497 6.804 -1.602 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.408 7.882 -1.663 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.457 7.102 -0.445 1.00 12.00 C ATOM 0 H VAL A 55 9.214 5.204 -2.777 1.00 12.00 H new ATOM 0 HA VAL A 55 11.661 4.692 -1.176 1.00 12.00 H new ATOM 0 HB VAL A 55 12.055 6.818 -2.538 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.872 8.862 -1.774 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.755 7.692 -2.515 1.00 12.00 H new ATOM 0 HG13 VAL A 55 9.822 7.860 -0.744 1.00 12.00 H new ATOM 0 HG21 VAL A 55 12.885 8.096 -0.574 1.00 12.00 H new ATOM 0 HG22 VAL A 55 11.913 7.060 0.499 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.257 6.362 -0.436 1.00 12.00 H new ATOM 854 N ILE A 56 10.189 5.597 0.932 1.00 12.00 N ATOM 855 CA ILE A 56 9.204 5.542 2.080 1.00 12.00 C ATOM 856 C ILE A 56 8.406 6.862 2.212 1.00 12.00 C ATOM 857 O ILE A 56 7.937 7.206 3.287 1.00 12.00 O ATOM 858 CB ILE A 56 9.970 5.277 3.384 1.00 12.00 C ATOM 859 CG1 ILE A 56 10.999 6.390 3.611 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.690 3.932 3.293 1.00 12.00 C ATOM 861 CD1 ILE A 56 11.523 6.315 5.047 1.00 12.00 C ATOM 0 H ILE A 56 11.142 5.842 1.202 1.00 12.00 H new ATOM 0 HA ILE A 56 8.493 4.739 1.883 1.00 12.00 H new ATOM 0 HB ILE A 56 9.266 5.257 4.216 1.00 12.00 H new ATOM 0 HG12 ILE A 56 11.824 6.287 2.906 1.00 12.00 H new ATOM 0 HG13 ILE A 56 10.544 7.364 3.429 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.233 3.746 4.220 1.00 12.00 H new ATOM 0 HG22 ILE A 56 9.960 3.138 3.135 1.00 12.00 H new ATOM 0 HG23 ILE A 56 11.392 3.951 2.459 1.00 12.00 H new ATOM 0 HD11 ILE A 56 12.255 7.106 5.209 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.694 6.439 5.744 1.00 12.00 H new ATOM 0 HD13 ILE A 56 11.994 5.346 5.212 1.00 12.00 H new ATOM 873 N ASN A 57 8.251 7.579 1.126 1.00 12.00 N ATOM 874 CA ASN A 57 7.492 8.880 1.121 1.00 12.00 C ATOM 875 C ASN A 57 7.593 9.446 -0.299 1.00 12.00 C ATOM 876 O ASN A 57 8.667 9.837 -0.728 1.00 12.00 O ATOM 877 CB ASN A 57 8.142 9.853 2.103 1.00 12.00 C ATOM 878 CG ASN A 57 7.136 10.926 2.518 1.00 12.00 C ATOM 879 OD1 ASN A 57 6.639 10.913 3.629 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.815 11.864 1.672 1.00 12.00 N ATOM 0 H ASN A 57 8.627 7.313 0.216 1.00 12.00 H new ATOM 0 HA ASN A 57 6.453 8.731 1.414 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.495 9.314 2.982 1.00 12.00 H new ATOM 0 HB3 ASN A 57 9.014 10.318 1.643 1.00 12.00 H new ATOM 0 HD21 ASN A 57 6.148 12.587 1.941 1.00 12.00 H new ATOM 0 HD22 ASN A 57 7.231 11.875 0.741 1.00 12.00 H new ATOM 887 N MET A 58 6.504 9.447 -1.041 1.00 12.00 N ATOM 888 CA MET A 58 6.557 9.938 -2.464 1.00 12.00 C ATOM 889 C MET A 58 5.183 10.401 -2.964 1.00 12.00 C ATOM 890 O MET A 58 4.180 10.307 -2.277 1.00 12.00 O ATOM 891 CB MET A 58 7.037 8.780 -3.354 1.00 12.00 C ATOM 892 CG MET A 58 7.953 9.312 -4.458 1.00 12.00 C ATOM 893 SD MET A 58 9.108 8.013 -4.960 1.00 12.00 S ATOM 894 CE MET A 58 8.625 7.942 -6.705 1.00 12.00 C ATOM 0 H MET A 58 5.587 9.131 -0.726 1.00 12.00 H new ATOM 0 HA MET A 58 7.235 10.790 -2.508 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.570 8.044 -2.751 1.00 12.00 H new ATOM 0 HB3 MET A 58 6.180 8.271 -3.795 1.00 12.00 H new ATOM 0 HG2 MET A 58 7.360 9.636 -5.313 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.502 10.184 -4.102 1.00 12.00 H new ATOM 0 HE1 MET A 58 9.224 7.189 -7.218 1.00 12.00 H new ATOM 0 HE2 MET A 58 7.570 7.679 -6.780 1.00 12.00 H new ATOM 0 HE3 MET A 58 8.791 8.915 -7.168 1.00 12.00 H new ATOM 904 N ASN A 59 5.163 10.860 -4.195 1.00 12.00 N ATOM 905 CA ASN A 59 3.909 11.311 -4.871 1.00 12.00 C ATOM 906 C ASN A 59 3.933 10.702 -6.280 1.00 12.00 C ATOM 907 O ASN A 59 4.841 10.974 -7.046 1.00 12.00 O ATOM 908 CB ASN A 59 3.899 12.841 -4.970 1.00 12.00 C ATOM 909 CG ASN A 59 3.291 13.445 -3.700 1.00 12.00 C ATOM 910 OD1 ASN A 59 3.893 13.407 -2.644 1.00 12.00 O ATOM 911 ND2 ASN A 59 2.117 14.014 -3.762 1.00 12.00 N ATOM 0 H ASN A 59 5.997 10.942 -4.776 1.00 12.00 H new ATOM 0 HA ASN A 59 3.023 10.998 -4.318 1.00 12.00 H new ATOM 0 HB2 ASN A 59 4.915 13.211 -5.108 1.00 12.00 H new ATOM 0 HB3 ASN A 59 3.325 13.153 -5.842 1.00 12.00 H new ATOM 0 HD21 ASN A 59 1.705 14.426 -2.925 1.00 12.00 H new ATOM 0 HD22 ASN A 59 1.612 14.046 -4.648 1.00 12.00 H new ATOM 918 N VAL A 60 2.971 9.860 -6.613 1.00 12.00 N ATOM 919 CA VAL A 60 2.962 9.198 -7.963 1.00 12.00 C ATOM 920 C VAL A 60 1.517 9.105 -8.473 1.00 12.00 C ATOM 921 O VAL A 60 0.594 9.380 -7.734 1.00 12.00 O ATOM 922 CB VAL A 60 3.583 7.796 -7.807 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.715 6.936 -6.883 1.00 12.00 C ATOM 924 CG2 VAL A 60 3.701 7.112 -9.170 1.00 12.00 C ATOM 0 H VAL A 60 2.193 9.605 -6.005 1.00 12.00 H new ATOM 0 HA VAL A 60 3.540 9.773 -8.687 1.00 12.00 H new ATOM 0 HB VAL A 60 4.577 7.906 -7.374 1.00 12.00 H new ATOM 0 HG11 VAL A 60 3.162 5.948 -6.779 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.648 7.408 -5.903 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.716 6.839 -7.308 1.00 12.00 H new ATOM 0 HG21 VAL A 60 4.141 6.123 -9.044 1.00 12.00 H new ATOM 0 HG22 VAL A 60 2.711 7.014 -9.615 1.00 12.00 H new ATOM 0 HG23 VAL A 60 4.335 7.711 -9.824 1.00 12.00 H new ATOM 934 N LEU A 61 1.320 8.734 -9.728 1.00 12.00 N ATOM 935 CA LEU A 61 -0.071 8.632 -10.282 1.00 12.00 C ATOM 936 C LEU A 61 -0.233 7.375 -11.140 1.00 12.00 C ATOM 937 O LEU A 61 0.430 7.228 -12.153 1.00 12.00 O ATOM 938 CB LEU A 61 -0.361 9.839 -11.174 1.00 12.00 C ATOM 939 CG LEU A 61 -0.147 11.139 -10.402 1.00 12.00 C ATOM 940 CD1 LEU A 61 1.339 11.527 -10.430 1.00 12.00 C ATOM 941 CD2 LEU A 61 -0.985 12.243 -11.059 1.00 12.00 C ATOM 0 H LEU A 61 2.064 8.500 -10.386 1.00 12.00 H new ATOM 0 HA LEU A 61 -0.759 8.592 -9.437 1.00 12.00 H new ATOM 0 HB2 LEU A 61 0.290 9.817 -12.048 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -1.387 9.791 -11.539 1.00 12.00 H new ATOM 0 HG LEU A 61 -0.453 11.007 -9.364 1.00 12.00 H new ATOM 0 HD11 LEU A 61 1.483 12.455 -9.877 1.00 12.00 H new ATOM 0 HD12 LEU A 61 1.930 10.735 -9.970 1.00 12.00 H new ATOM 0 HD13 LEU A 61 1.659 11.666 -11.463 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -0.842 13.179 -10.518 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -0.670 12.371 -12.095 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -2.039 11.965 -11.032 1.00 12.00 H new ATOM 953 N SER A 62 -1.154 6.500 -10.770 1.00 12.00 N ATOM 954 CA SER A 62 -1.426 5.266 -11.597 1.00 12.00 C ATOM 955 C SER A 62 -1.876 5.750 -12.987 1.00 12.00 C ATOM 956 O SER A 62 -3.045 6.039 -13.200 1.00 12.00 O ATOM 957 CB SER A 62 -2.534 4.395 -10.957 1.00 12.00 C ATOM 958 OG SER A 62 -3.048 5.001 -9.776 1.00 12.00 O ATOM 0 H SER A 62 -1.728 6.588 -9.931 1.00 12.00 H new ATOM 0 HA SER A 62 -0.529 4.650 -11.660 1.00 12.00 H new ATOM 0 HB2 SER A 62 -3.342 4.246 -11.673 1.00 12.00 H new ATOM 0 HB3 SER A 62 -2.133 3.410 -10.718 1.00 12.00 H new ATOM 0 HG SER A 62 -3.351 4.305 -9.157 1.00 12.00 H new ATOM 964 N THR A 63 -0.938 5.888 -13.912 1.00 12.00 N ATOM 965 CA THR A 63 -1.262 6.409 -15.282 1.00 12.00 C ATOM 966 C THR A 63 -1.605 5.266 -16.239 1.00 12.00 C ATOM 967 O THR A 63 -2.355 5.460 -17.184 1.00 12.00 O ATOM 968 CB THR A 63 -0.055 7.179 -15.833 1.00 12.00 C ATOM 969 OG1 THR A 63 1.148 6.515 -15.463 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.052 8.604 -15.271 1.00 12.00 C ATOM 0 H THR A 63 0.045 5.658 -13.768 1.00 12.00 H new ATOM 0 HA THR A 63 -2.127 7.067 -15.202 1.00 12.00 H new ATOM 0 HB THR A 63 -0.122 7.221 -16.920 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.917 7.009 -15.818 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.807 9.148 -15.664 1.00 12.00 H new ATOM 0 HG22 THR A 63 -0.970 9.113 -15.565 1.00 12.00 H new ATOM 0 HG23 THR A 63 0.010 8.566 -14.183 1.00 12.00 H new ATOM 978 N THR A 64 -1.065 4.084 -16.011 1.00 12.00 N ATOM 979 CA THR A 64 -1.355 2.920 -16.913 1.00 12.00 C ATOM 980 C THR A 64 -2.876 2.703 -16.976 1.00 12.00 C ATOM 981 O THR A 64 -3.510 3.095 -17.940 1.00 12.00 O ATOM 982 CB THR A 64 -0.649 1.662 -16.388 1.00 12.00 C ATOM 983 OG1 THR A 64 0.749 1.906 -16.316 1.00 12.00 O ATOM 984 CG2 THR A 64 -0.909 0.488 -17.334 1.00 12.00 C ATOM 0 H THR A 64 -0.435 3.878 -15.236 1.00 12.00 H new ATOM 0 HA THR A 64 -0.981 3.126 -17.916 1.00 12.00 H new ATOM 0 HB THR A 64 -1.034 1.418 -15.398 1.00 12.00 H new ATOM 0 HG1 THR A 64 1.204 1.106 -15.980 1.00 12.00 H new ATOM 0 HG21 THR A 64 -0.406 -0.402 -16.956 1.00 12.00 H new ATOM 0 HG22 THR A 64 -1.981 0.300 -17.395 1.00 12.00 H new ATOM 0 HG23 THR A 64 -0.526 0.728 -18.326 1.00 12.00 H new ATOM 992 N ARG A 65 -3.459 2.106 -15.951 1.00 12.00 N ATOM 993 CA ARG A 65 -4.948 1.882 -15.929 1.00 12.00 C ATOM 994 C ARG A 65 -5.329 1.005 -14.731 1.00 12.00 C ATOM 995 O ARG A 65 -5.103 -0.193 -14.744 1.00 12.00 O ATOM 996 CB ARG A 65 -5.401 1.179 -17.227 1.00 12.00 C ATOM 997 CG ARG A 65 -6.566 1.950 -17.853 1.00 12.00 C ATOM 998 CD ARG A 65 -6.536 1.777 -19.373 1.00 12.00 C ATOM 999 NE ARG A 65 -5.823 2.932 -19.987 1.00 12.00 N ATOM 1000 CZ ARG A 65 -5.497 2.905 -21.250 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -4.801 1.909 -21.722 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -5.869 3.875 -22.039 1.00 12.00 N ATOM 0 H ARG A 65 -2.964 1.764 -15.127 1.00 12.00 H new ATOM 0 HA ARG A 65 -5.441 2.851 -15.848 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -4.570 1.123 -17.930 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -5.705 0.155 -17.010 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -7.513 1.586 -17.454 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.497 3.007 -17.595 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -6.035 0.845 -19.634 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -7.552 1.713 -19.763 1.00 12.00 H new ATOM 0 HE ARG A 65 -5.589 3.746 -19.419 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -4.511 1.151 -21.104 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -4.546 1.888 -22.709 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -6.414 4.653 -21.668 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -5.615 3.855 -23.027 1.00 12.00 H new ATOM 1016 N PHE A 66 -5.930 1.596 -13.717 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.368 0.797 -12.519 1.00 12.00 C ATOM 1018 C PHE A 66 -7.891 0.994 -12.351 1.00 12.00 C ATOM 1019 O PHE A 66 -8.359 1.578 -11.394 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.589 1.263 -11.275 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.111 0.959 -11.464 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.311 1.814 -12.242 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.535 -0.180 -10.874 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -1.954 1.529 -12.431 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.177 -0.457 -11.064 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.389 0.395 -11.842 1.00 12.00 C ATOM 0 H PHE A 66 -6.135 2.594 -13.668 1.00 12.00 H new ATOM 0 HA PHE A 66 -6.159 -0.264 -12.652 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -5.735 2.332 -11.120 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -5.965 0.757 -10.386 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -3.745 2.693 -12.695 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.142 -0.842 -10.274 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.343 2.186 -13.032 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.737 -1.332 -10.608 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.341 0.177 -11.988 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.642 0.507 -13.329 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.152 0.622 -13.386 1.00 12.00 C ATOM 1038 C GLN A 67 -10.828 0.830 -12.021 1.00 12.00 C ATOM 1039 O GLN A 67 -10.611 0.072 -11.091 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.707 -0.661 -14.013 1.00 12.00 C ATOM 1041 CG GLN A 67 -10.784 -0.503 -15.533 1.00 12.00 C ATOM 1042 CD GLN A 67 -10.808 -1.884 -16.194 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -11.701 -2.672 -15.953 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -9.856 -2.209 -17.026 1.00 12.00 N ATOM 0 H GLN A 67 -8.248 0.011 -14.128 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.374 1.511 -13.976 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -10.069 -1.507 -13.758 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.697 -0.875 -13.610 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -11.679 0.057 -15.805 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -9.928 0.068 -15.893 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -9.107 -1.547 -17.228 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -9.861 -3.125 -17.474 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.664 1.855 -11.921 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.396 2.128 -10.637 1.00 12.00 C ATOM 1055 C LEU A 68 -13.837 1.599 -10.695 1.00 12.00 C ATOM 1056 O LEU A 68 -14.474 1.579 -11.742 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.446 3.638 -10.335 1.00 12.00 C ATOM 1058 CG LEU A 68 -13.214 4.403 -11.429 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -14.722 4.363 -11.139 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.739 5.863 -11.460 1.00 12.00 C ATOM 0 H LEU A 68 -11.866 2.510 -12.677 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.848 1.613 -9.848 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.925 3.802 -9.370 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.432 4.029 -10.259 1.00 12.00 H new ATOM 0 HG LEU A 68 -13.023 3.933 -12.394 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -15.257 4.907 -11.918 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -15.062 3.327 -11.121 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.919 4.827 -10.172 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -13.282 6.406 -12.234 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -12.927 6.327 -10.492 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.671 5.894 -11.676 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.347 1.241 -9.541 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.762 0.772 -9.396 1.00 12.00 C ATOM 1074 C ASN A 69 -16.436 1.778 -8.466 1.00 12.00 C ATOM 1075 O ASN A 69 -16.139 1.801 -7.284 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.804 -0.611 -8.737 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.101 -1.322 -9.125 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.287 -1.688 -10.268 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -18.012 -1.533 -8.215 1.00 12.00 N ATOM 0 H ASN A 69 -13.823 1.255 -8.666 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.252 0.700 -10.367 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -14.944 -1.202 -9.053 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.742 -0.511 -7.653 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -18.881 -2.006 -8.463 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -17.855 -1.225 -7.255 1.00 12.00 H new ATOM 1086 N THR A 70 -17.286 2.639 -8.985 1.00 12.00 N ATOM 1087 CA THR A 70 -17.914 3.689 -8.109 1.00 12.00 C ATOM 1088 C THR A 70 -19.413 3.473 -7.917 1.00 12.00 C ATOM 1089 O THR A 70 -20.176 3.435 -8.868 1.00 12.00 O ATOM 1090 CB THR A 70 -17.703 5.063 -8.761 1.00 12.00 C ATOM 1091 OG1 THR A 70 -16.328 5.234 -9.064 1.00 12.00 O ATOM 1092 CG2 THR A 70 -18.150 6.167 -7.801 1.00 12.00 C ATOM 0 H THR A 70 -17.570 2.661 -9.964 1.00 12.00 H new ATOM 0 HA THR A 70 -17.439 3.627 -7.130 1.00 12.00 H new ATOM 0 HB THR A 70 -18.292 5.120 -9.676 1.00 12.00 H new ATOM 0 HG1 THR A 70 -16.194 6.103 -9.496 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.998 7.140 -8.269 1.00 12.00 H new ATOM 0 HG22 THR A 70 -19.207 6.039 -7.566 1.00 12.00 H new ATOM 0 HG23 THR A 70 -17.564 6.110 -6.883 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.829 3.438 -6.670 1.00 12.00 N ATOM 1101 CA CYS A 71 -21.284 3.351 -6.338 1.00 12.00 C ATOM 1102 C CYS A 71 -21.632 4.770 -5.902 1.00 12.00 C ATOM 1103 O CYS A 71 -21.142 5.229 -4.885 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.543 2.360 -5.185 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.976 0.697 -5.646 1.00 12.00 S ATOM 0 H CYS A 71 -19.210 3.467 -5.860 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.881 2.993 -7.177 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -21.024 2.693 -4.286 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.607 2.337 -4.948 1.00 12.00 H new ATOM 1110 N THR A 72 -22.400 5.492 -6.688 1.00 12.00 N ATOM 1111 CA THR A 72 -22.694 6.927 -6.339 1.00 12.00 C ATOM 1112 C THR A 72 -24.145 7.129 -5.892 1.00 12.00 C ATOM 1113 O THR A 72 -25.062 6.527 -6.429 1.00 12.00 O ATOM 1114 CB THR A 72 -22.427 7.804 -7.570 1.00 12.00 C ATOM 1115 OG1 THR A 72 -21.162 7.468 -8.121 1.00 12.00 O ATOM 1116 CG2 THR A 72 -22.430 9.284 -7.172 1.00 12.00 C ATOM 0 H THR A 72 -22.833 5.156 -7.548 1.00 12.00 H new ATOM 0 HA THR A 72 -22.046 7.207 -5.508 1.00 12.00 H new ATOM 0 HB THR A 72 -23.210 7.631 -8.308 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.990 8.025 -8.908 1.00 12.00 H new ATOM 0 HG21 THR A 72 -22.240 9.898 -8.052 1.00 12.00 H new ATOM 0 HG22 THR A 72 -23.401 9.545 -6.750 1.00 12.00 H new ATOM 0 HG23 THR A 72 -21.652 9.463 -6.430 1.00 12.00 H new ATOM 1124 N ARG A 73 -24.344 8.005 -4.921 1.00 12.00 N ATOM 1125 CA ARG A 73 -25.716 8.314 -4.421 1.00 12.00 C ATOM 1126 C ARG A 73 -26.511 8.959 -5.559 1.00 12.00 C ATOM 1127 O ARG A 73 -26.020 9.859 -6.220 1.00 12.00 O ATOM 1128 CB ARG A 73 -25.619 9.290 -3.244 1.00 12.00 C ATOM 1129 CG ARG A 73 -26.980 9.404 -2.545 1.00 12.00 C ATOM 1130 CD ARG A 73 -26.934 10.528 -1.501 1.00 12.00 C ATOM 1131 NE ARG A 73 -27.589 10.069 -0.242 1.00 12.00 N ATOM 1132 CZ ARG A 73 -28.508 10.805 0.325 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -29.499 11.272 -0.383 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -28.435 11.074 1.601 1.00 12.00 N ATOM 0 H ARG A 73 -23.597 8.520 -4.454 1.00 12.00 H new ATOM 0 HA ARG A 73 -26.212 7.402 -4.089 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -24.865 8.946 -2.536 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -25.300 10.270 -3.599 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -27.760 9.608 -3.278 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -27.233 8.459 -2.065 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.900 10.812 -1.303 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -27.440 11.414 -1.884 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.319 9.179 0.177 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -29.557 11.063 -1.380 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -30.216 11.846 0.060 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -27.660 10.710 2.156 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -29.153 11.649 2.043 1.00 12.00 H new ATOM 1148 N THR A 74 -27.723 8.497 -5.799 1.00 12.00 N ATOM 1149 CA THR A 74 -28.553 9.072 -6.911 1.00 12.00 C ATOM 1150 C THR A 74 -29.814 9.765 -6.350 1.00 12.00 C ATOM 1151 O THR A 74 -29.775 10.945 -6.042 1.00 12.00 O ATOM 1152 CB THR A 74 -28.936 7.954 -7.892 1.00 12.00 C ATOM 1153 OG1 THR A 74 -29.253 6.772 -7.168 1.00 12.00 O ATOM 1154 CG2 THR A 74 -27.764 7.674 -8.835 1.00 12.00 C ATOM 0 H THR A 74 -28.171 7.747 -5.272 1.00 12.00 H new ATOM 0 HA THR A 74 -27.969 9.825 -7.440 1.00 12.00 H new ATOM 0 HB THR A 74 -29.803 8.267 -8.474 1.00 12.00 H new ATOM 0 HG1 THR A 74 -29.499 6.060 -7.795 1.00 12.00 H new ATOM 0 HG21 THR A 74 -28.038 6.880 -9.530 1.00 12.00 H new ATOM 0 HG22 THR A 74 -27.522 8.578 -9.394 1.00 12.00 H new ATOM 0 HG23 THR A 74 -26.896 7.364 -8.254 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.559 3.501 1.372 1.00 12.00 N ATOM 1259 CA CYS A 81 -29.291 4.723 0.553 1.00 12.00 C ATOM 1260 C CYS A 81 -29.311 4.325 -0.942 1.00 12.00 C ATOM 1261 O CYS A 81 -28.956 3.202 -1.256 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.917 5.298 0.926 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.879 5.686 2.696 1.00 12.00 S ATOM 0 HA CYS A 81 -30.051 5.480 0.743 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -27.133 4.580 0.684 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -27.717 6.197 0.342 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.723 5.234 -1.833 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.777 4.935 -3.287 1.00 12.00 C ATOM 1270 C PRO A 82 -28.370 4.951 -3.870 1.00 12.00 C ATOM 1271 O PRO A 82 -27.668 5.931 -3.732 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.596 6.085 -3.870 1.00 12.00 C ATOM 1273 CG PRO A 82 -30.470 7.251 -2.870 1.00 12.00 C ATOM 1274 CD PRO A 82 -30.156 6.620 -1.504 1.00 12.00 C ATOM 0 HA PRO A 82 -30.207 3.957 -3.504 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -30.220 6.372 -4.852 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.638 5.794 -4.000 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -29.679 7.937 -3.172 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -31.394 7.828 -2.828 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -29.372 7.169 -0.982 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -31.031 6.620 -0.854 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.959 3.879 -4.516 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.580 3.827 -5.117 1.00 12.00 C ATOM 1284 C TYR A 83 -26.596 3.076 -6.445 1.00 12.00 C ATOM 1285 O TYR A 83 -27.171 2.007 -6.561 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.609 3.122 -4.160 1.00 12.00 C ATOM 1287 CG TYR A 83 -25.059 4.119 -3.175 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.861 4.617 -2.144 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.742 4.560 -3.311 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -25.338 5.556 -1.246 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -23.224 5.496 -2.420 1.00 12.00 C ATOM 1292 CZ TYR A 83 -24.019 5.996 -1.386 1.00 12.00 C ATOM 1293 OH TYR A 83 -23.503 6.921 -0.503 1.00 12.00 O ATOM 0 H TYR A 83 -28.519 3.038 -4.653 1.00 12.00 H new ATOM 0 HA TYR A 83 -26.251 4.852 -5.287 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -26.122 2.319 -3.632 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.795 2.665 -4.723 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.881 4.279 -2.040 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -23.124 4.175 -4.108 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.954 5.940 -0.446 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -22.205 5.836 -2.529 1.00 12.00 H new ATOM 0 HH TYR A 83 -24.220 7.512 -0.193 1.00 12.00 H new ATOM 1303 N SER A 84 -25.941 3.636 -7.437 1.00 12.00 N ATOM 1304 CA SER A 84 -25.863 2.979 -8.788 1.00 12.00 C ATOM 1305 C SER A 84 -24.404 2.608 -9.062 1.00 12.00 C ATOM 1306 O SER A 84 -23.530 3.460 -9.019 1.00 12.00 O ATOM 1307 CB SER A 84 -26.351 3.953 -9.862 1.00 12.00 C ATOM 1308 OG SER A 84 -25.709 5.209 -9.682 1.00 12.00 O ATOM 0 H SER A 84 -25.452 4.529 -7.369 1.00 12.00 H new ATOM 0 HA SER A 84 -26.489 2.087 -8.806 1.00 12.00 H new ATOM 0 HB2 SER A 84 -26.132 3.558 -10.854 1.00 12.00 H new ATOM 0 HB3 SER A 84 -27.433 4.072 -9.798 1.00 12.00 H new ATOM 0 HG SER A 84 -24.772 5.065 -9.434 1.00 12.00 H new ATOM 1314 N SER A 85 -24.136 1.344 -9.323 1.00 12.00 N ATOM 1315 CA SER A 85 -22.731 0.894 -9.584 1.00 12.00 C ATOM 1316 C SER A 85 -22.317 1.283 -11.004 1.00 12.00 C ATOM 1317 O SER A 85 -23.113 1.220 -11.926 1.00 12.00 O ATOM 1318 CB SER A 85 -22.637 -0.626 -9.432 1.00 12.00 C ATOM 1319 OG SER A 85 -23.395 -1.036 -8.300 1.00 12.00 O ATOM 0 H SER A 85 -24.837 0.604 -9.366 1.00 12.00 H new ATOM 0 HA SER A 85 -22.067 1.375 -8.866 1.00 12.00 H new ATOM 0 HB2 SER A 85 -23.011 -1.116 -10.331 1.00 12.00 H new ATOM 0 HB3 SER A 85 -21.596 -0.927 -9.315 1.00 12.00 H new ATOM 0 HG SER A 85 -22.927 -0.773 -7.480 1.00 12.00 H new ATOM 1325 N ARG A 86 -21.072 1.678 -11.172 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.561 2.076 -12.520 1.00 12.00 C ATOM 1327 C ARG A 86 -19.082 1.692 -12.638 1.00 12.00 C ATOM 1328 O ARG A 86 -18.400 1.545 -11.640 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.710 3.589 -12.693 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.603 3.949 -14.177 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.538 5.117 -14.486 1.00 12.00 C ATOM 1332 NE ARG A 86 -21.281 5.605 -15.870 1.00 12.00 N ATOM 1333 CZ ARG A 86 -22.198 5.474 -16.787 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -22.596 4.285 -17.148 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -22.714 6.534 -17.348 1.00 12.00 N ATOM 0 H ARG A 86 -20.384 1.741 -10.421 1.00 12.00 H new ATOM 0 HA ARG A 86 -21.133 1.563 -13.293 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.671 3.918 -12.297 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.937 4.108 -12.126 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.576 4.216 -14.424 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -20.865 3.087 -14.791 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -22.577 4.802 -14.387 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -21.380 5.923 -13.769 1.00 12.00 H new ATOM 0 HE ARG A 86 -20.388 6.041 -16.100 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -22.189 3.457 -16.713 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -23.314 4.183 -17.866 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -22.399 7.463 -17.069 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -23.432 6.433 -18.066 1.00 12.00 H new ATOM 1349 N THR A 87 -18.591 1.534 -13.851 1.00 12.00 N ATOM 1350 CA THR A 87 -17.150 1.163 -14.064 1.00 12.00 C ATOM 1351 C THR A 87 -16.536 2.126 -15.079 1.00 12.00 C ATOM 1352 O THR A 87 -17.221 2.603 -15.971 1.00 12.00 O ATOM 1353 CB THR A 87 -17.059 -0.267 -14.608 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.851 -1.130 -13.805 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.601 -0.746 -14.587 1.00 12.00 C ATOM 0 H THR A 87 -19.132 1.647 -14.708 1.00 12.00 H new ATOM 0 HA THR A 87 -16.613 1.223 -13.117 1.00 12.00 H new ATOM 0 HB THR A 87 -17.425 -0.282 -15.635 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.795 -2.044 -14.153 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.547 -1.763 -14.975 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.993 -0.088 -15.207 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.227 -0.728 -13.563 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.257 2.419 -14.945 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.591 3.363 -15.901 1.00 12.00 C ATOM 1365 C GLU A 88 -13.067 3.267 -15.775 1.00 12.00 C ATOM 1366 O GLU A 88 -12.553 2.899 -14.734 1.00 12.00 O ATOM 1367 CB GLU A 88 -15.027 4.789 -15.559 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.050 5.643 -16.826 1.00 12.00 C ATOM 1369 CD GLU A 88 -14.766 7.102 -16.459 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -15.474 7.628 -15.616 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -13.848 7.668 -17.028 1.00 12.00 O ATOM 0 H GLU A 88 -14.650 2.044 -14.216 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.878 3.104 -16.920 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -16.016 4.776 -15.100 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.343 5.223 -14.830 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -14.304 5.283 -17.535 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -16.020 5.562 -17.316 1.00 12.00 H new ATOM 1378 N THR A 89 -12.345 3.641 -16.823 1.00 12.00 N ATOM 1379 CA THR A 89 -10.840 3.628 -16.777 1.00 12.00 C ATOM 1380 C THR A 89 -10.414 4.528 -15.629 1.00 12.00 C ATOM 1381 O THR A 89 -10.844 5.671 -15.558 1.00 12.00 O ATOM 1382 CB THR A 89 -10.286 4.178 -18.100 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.827 3.428 -19.180 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.760 4.064 -18.115 1.00 12.00 C ATOM 0 H THR A 89 -12.741 3.955 -17.709 1.00 12.00 H new ATOM 0 HA THR A 89 -10.462 2.616 -16.633 1.00 12.00 H new ATOM 0 HB THR A 89 -10.566 5.227 -18.200 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.478 3.776 -20.027 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.375 4.456 -19.056 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.344 4.637 -17.286 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.472 3.018 -18.013 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.628 4.015 -14.699 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.251 4.861 -13.518 1.00 12.00 C ATOM 1394 C ASN A 90 -7.746 5.052 -13.334 1.00 12.00 C ATOM 1395 O ASN A 90 -7.067 4.252 -12.715 1.00 12.00 O ATOM 1396 CB ASN A 90 -9.859 4.272 -12.235 1.00 12.00 C ATOM 1397 CG ASN A 90 -9.461 5.124 -11.014 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.190 4.593 -9.955 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -9.424 6.425 -11.118 1.00 12.00 N ATOM 0 H ASN A 90 -9.242 3.071 -14.708 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.658 5.851 -13.721 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -10.945 4.235 -12.323 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -9.515 3.247 -12.099 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -9.168 6.994 -10.311 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -9.651 6.872 -12.006 1.00 12.00 H new ATOM 1406 N TYR A 91 -7.289 6.202 -13.748 1.00 12.00 N ATOM 1407 CA TYR A 91 -5.872 6.622 -13.492 1.00 12.00 C ATOM 1408 C TYR A 91 -5.996 7.469 -12.223 1.00 12.00 C ATOM 1409 O TYR A 91 -6.864 8.326 -12.154 1.00 12.00 O ATOM 1410 CB TYR A 91 -5.273 7.456 -14.646 1.00 12.00 C ATOM 1411 CG TYR A 91 -6.341 8.224 -15.395 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -6.901 9.384 -14.841 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -6.763 7.776 -16.651 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -7.883 10.091 -15.549 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -7.741 8.481 -17.356 1.00 12.00 C ATOM 1416 CZ TYR A 91 -8.302 9.639 -16.806 1.00 12.00 C ATOM 1417 OH TYR A 91 -9.266 10.335 -17.507 1.00 12.00 O ATOM 0 H TYR A 91 -7.845 6.885 -14.263 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.202 5.768 -13.399 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -4.536 8.153 -14.247 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -4.747 6.797 -15.337 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -6.577 9.732 -13.871 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -6.331 6.882 -17.077 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -8.316 10.985 -15.125 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -8.064 8.132 -18.326 1.00 12.00 H new ATOM 0 HH TYR A 91 -9.439 9.885 -18.360 1.00 12.00 H new ATOM 1427 N ILE A 92 -5.234 7.175 -11.189 1.00 12.00 N ATOM 1428 CA ILE A 92 -5.436 7.910 -9.884 1.00 12.00 C ATOM 1429 C ILE A 92 -4.190 8.644 -9.384 1.00 12.00 C ATOM 1430 O ILE A 92 -3.074 8.331 -9.747 1.00 12.00 O ATOM 1431 CB ILE A 92 -5.820 6.884 -8.807 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.846 5.876 -9.359 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -6.418 7.611 -7.611 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -6.164 4.522 -9.577 1.00 12.00 C ATOM 0 H ILE A 92 -4.494 6.473 -11.187 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.209 8.657 -10.066 1.00 12.00 H new ATOM 0 HB ILE A 92 -4.925 6.340 -8.504 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -7.677 5.769 -8.662 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -7.262 6.241 -10.298 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -6.692 6.886 -6.844 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -5.685 8.309 -7.206 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -7.306 8.160 -7.925 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -6.889 3.808 -9.968 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -5.347 4.637 -10.290 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -5.769 4.157 -8.629 1.00 12.00 H new ATOM 1446 N CYS A 93 -4.410 9.589 -8.482 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.280 10.338 -7.839 1.00 12.00 C ATOM 1448 C CYS A 93 -3.075 9.703 -6.464 1.00 12.00 C ATOM 1449 O CYS A 93 -3.928 9.807 -5.596 1.00 12.00 O ATOM 1450 CB CYS A 93 -3.638 11.822 -7.678 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.325 12.671 -6.758 1.00 12.00 S ATOM 0 H CYS A 93 -5.338 9.871 -8.166 1.00 12.00 H new ATOM 0 HA CYS A 93 -2.378 10.283 -8.449 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -3.766 12.283 -8.657 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.587 11.922 -7.152 1.00 12.00 H new ATOM 0 HG CYS A 93 -2.631 13.928 -6.626 1.00 12.00 H new ATOM 1456 N VAL A 94 -1.983 8.994 -6.298 1.00 12.00 N ATOM 1457 CA VAL A 94 -1.719 8.270 -5.017 1.00 12.00 C ATOM 1458 C VAL A 94 -0.437 8.782 -4.343 1.00 12.00 C ATOM 1459 O VAL A 94 0.217 9.684 -4.838 1.00 12.00 O ATOM 1460 CB VAL A 94 -1.585 6.770 -5.347 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -2.804 6.329 -6.165 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -0.311 6.508 -6.176 1.00 12.00 C ATOM 0 H VAL A 94 -1.256 8.886 -7.005 1.00 12.00 H new ATOM 0 HA VAL A 94 -2.540 8.441 -4.320 1.00 12.00 H new ATOM 0 HB VAL A 94 -1.524 6.209 -4.414 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -2.718 5.269 -6.403 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -3.712 6.498 -5.586 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -2.850 6.906 -7.089 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -0.234 5.444 -6.399 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -0.361 7.071 -7.108 1.00 12.00 H new ATOM 0 HG23 VAL A 94 0.564 6.824 -5.608 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.082 8.181 -3.224 1.00 12.00 N ATOM 1473 CA LYS A 95 1.159 8.579 -2.492 1.00 12.00 C ATOM 1474 C LYS A 95 1.803 7.324 -1.886 1.00 12.00 C ATOM 1475 O LYS A 95 1.112 6.367 -1.560 1.00 12.00 O ATOM 1476 CB LYS A 95 0.820 9.595 -1.398 1.00 12.00 C ATOM 1477 CG LYS A 95 0.760 10.995 -2.012 1.00 12.00 C ATOM 1478 CD LYS A 95 0.519 12.033 -0.914 1.00 12.00 C ATOM 1479 CE LYS A 95 1.716 12.074 0.039 1.00 12.00 C ATOM 1480 NZ LYS A 95 1.733 13.383 0.752 1.00 12.00 N ATOM 0 H LYS A 95 -0.609 7.425 -2.787 1.00 12.00 H new ATOM 0 HA LYS A 95 1.862 9.046 -3.181 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.136 9.346 -0.937 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.572 9.563 -0.610 1.00 12.00 H new ATOM 0 HG2 LYS A 95 1.692 11.214 -2.533 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -0.038 11.043 -2.752 1.00 12.00 H new ATOM 0 HD2 LYS A 95 0.364 13.016 -1.359 1.00 12.00 H new ATOM 0 HD3 LYS A 95 -0.388 11.787 -0.362 1.00 12.00 H new ATOM 0 HE2 LYS A 95 1.652 11.256 0.757 1.00 12.00 H new ATOM 0 HE3 LYS A 95 2.643 11.938 -0.517 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 2.545 13.414 1.401 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 1.813 14.155 0.059 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 0.853 13.494 1.294 1.00 12.00 H new ATOM 1494 N CYS A 96 3.114 7.309 -1.759 1.00 12.00 N ATOM 1495 CA CYS A 96 3.810 6.092 -1.218 1.00 12.00 C ATOM 1496 C CYS A 96 4.515 6.351 0.124 1.00 12.00 C ATOM 1497 O CYS A 96 5.498 7.068 0.193 1.00 12.00 O ATOM 1498 CB CYS A 96 4.863 5.599 -2.224 1.00 12.00 C ATOM 1499 SG CYS A 96 4.353 5.950 -3.929 1.00 12.00 S ATOM 0 H CYS A 96 3.729 8.084 -2.006 1.00 12.00 H new ATOM 0 HA CYS A 96 3.035 5.343 -1.057 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.819 6.082 -2.020 1.00 12.00 H new ATOM 0 HB3 CYS A 96 5.015 4.527 -2.100 1.00 12.00 H new ATOM 1504 N GLU A 97 4.062 5.675 1.156 1.00 12.00 N ATOM 1505 CA GLU A 97 4.720 5.737 2.503 1.00 12.00 C ATOM 1506 C GLU A 97 5.005 4.277 2.855 1.00 12.00 C ATOM 1507 O GLU A 97 4.245 3.399 2.468 1.00 12.00 O ATOM 1508 CB GLU A 97 3.815 6.393 3.551 1.00 12.00 C ATOM 1509 CG GLU A 97 4.485 6.329 4.927 1.00 12.00 C ATOM 1510 CD GLU A 97 3.986 7.484 5.797 1.00 12.00 C ATOM 1511 OE1 GLU A 97 2.819 7.472 6.153 1.00 12.00 O ATOM 1512 OE2 GLU A 97 4.780 8.362 6.089 1.00 12.00 O ATOM 0 H GLU A 97 3.243 5.068 1.119 1.00 12.00 H new ATOM 0 HA GLU A 97 5.624 6.346 2.485 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.620 7.430 3.279 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.851 5.885 3.582 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.262 5.376 5.407 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.568 6.385 4.818 1.00 12.00 H new ATOM 1519 N ASN A 98 6.119 3.979 3.498 1.00 12.00 N ATOM 1520 CA ASN A 98 6.463 2.531 3.755 1.00 12.00 C ATOM 1521 C ASN A 98 6.553 1.793 2.385 1.00 12.00 C ATOM 1522 O ASN A 98 6.549 0.580 2.328 1.00 12.00 O ATOM 1523 CB ASN A 98 5.370 1.885 4.611 1.00 12.00 C ATOM 1524 CG ASN A 98 5.759 1.978 6.086 1.00 12.00 C ATOM 1525 OD1 ASN A 98 5.822 0.977 6.772 1.00 12.00 O ATOM 1526 ND2 ASN A 98 6.027 3.144 6.607 1.00 12.00 N ATOM 0 H ASN A 98 6.793 4.659 3.850 1.00 12.00 H new ATOM 0 HA ASN A 98 7.414 2.463 4.283 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.417 2.386 4.443 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.237 0.842 4.324 1.00 12.00 H new ATOM 0 HD21 ASN A 98 6.289 3.215 7.590 1.00 12.00 H new ATOM 0 HD22 ASN A 98 5.974 3.984 6.031 1.00 12.00 H new ATOM 1533 N GLN A 99 6.633 2.552 1.292 1.00 12.00 N ATOM 1534 CA GLN A 99 6.733 2.010 -0.103 1.00 12.00 C ATOM 1535 C GLN A 99 5.397 1.471 -0.636 1.00 12.00 C ATOM 1536 O GLN A 99 5.293 1.195 -1.822 1.00 12.00 O ATOM 1537 CB GLN A 99 7.827 0.938 -0.214 1.00 12.00 C ATOM 1538 CG GLN A 99 9.205 1.587 -0.039 1.00 12.00 C ATOM 1539 CD GLN A 99 10.218 0.926 -0.978 1.00 12.00 C ATOM 1540 OE1 GLN A 99 9.892 0.561 -2.092 1.00 12.00 O ATOM 1541 NE2 GLN A 99 11.445 0.760 -0.575 1.00 12.00 N ATOM 0 H GLN A 99 6.632 3.571 1.328 1.00 12.00 H new ATOM 0 HA GLN A 99 7.009 2.857 -0.732 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.676 0.171 0.545 1.00 12.00 H new ATOM 0 HB3 GLN A 99 7.768 0.443 -1.183 1.00 12.00 H new ATOM 0 HG2 GLN A 99 9.143 2.654 -0.251 1.00 12.00 H new ATOM 0 HG3 GLN A 99 9.535 1.486 0.995 1.00 12.00 H new ATOM 0 HE21 GLN A 99 11.721 1.065 0.358 1.00 12.00 H new ATOM 0 HE22 GLN A 99 12.130 0.325 -1.193 1.00 12.00 H new ATOM 1550 N TYR A 100 4.372 1.374 0.185 1.00 12.00 N ATOM 1551 CA TYR A 100 3.036 0.920 -0.328 1.00 12.00 C ATOM 1552 C TYR A 100 2.138 2.167 -0.389 1.00 12.00 C ATOM 1553 O TYR A 100 2.351 3.087 0.382 1.00 12.00 O ATOM 1554 CB TYR A 100 2.445 -0.216 0.577 1.00 12.00 C ATOM 1555 CG TYR A 100 1.295 0.239 1.488 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.021 0.526 0.953 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.502 0.361 2.869 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -1.027 0.932 1.790 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.450 0.767 3.703 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.809 1.055 3.163 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.837 1.455 3.991 1.00 12.00 O ATOM 0 H TYR A 100 4.403 1.588 1.182 1.00 12.00 H new ATOM 0 HA TYR A 100 3.116 0.480 -1.322 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.090 -1.025 -0.061 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.244 -0.625 1.196 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.148 0.432 -0.110 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.472 0.142 3.291 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -2.000 1.149 1.374 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.612 0.858 4.767 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.384 0.678 4.232 1.00 12.00 H new ATOM 1571 N PRO A 101 1.160 2.173 -1.279 1.00 12.00 N ATOM 1572 CA PRO A 101 0.233 3.317 -1.401 1.00 12.00 C ATOM 1573 C PRO A 101 -0.528 3.486 -0.087 1.00 12.00 C ATOM 1574 O PRO A 101 -1.590 2.932 0.096 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.669 2.932 -2.579 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.543 1.403 -2.736 1.00 12.00 C ATOM 1577 CD PRO A 101 0.858 1.054 -2.212 1.00 12.00 C ATOM 0 HA PRO A 101 0.715 4.277 -1.584 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -1.703 3.220 -2.388 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.359 3.444 -3.490 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.315 0.885 -2.168 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -0.659 1.104 -3.778 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.869 0.091 -1.702 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.587 0.995 -3.020 1.00 12.00 H new ATOM 1585 N VAL A 102 0.045 4.240 0.832 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.583 4.449 2.180 1.00 12.00 C ATOM 1587 C VAL A 102 -1.608 5.576 2.125 1.00 12.00 C ATOM 1588 O VAL A 102 -2.458 5.680 2.997 1.00 12.00 O ATOM 1589 CB VAL A 102 0.521 4.822 3.193 1.00 12.00 C ATOM 1590 CG1 VAL A 102 -0.089 5.251 4.539 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.432 3.618 3.426 1.00 12.00 C ATOM 0 H VAL A 102 0.933 4.724 0.700 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.086 3.531 2.483 1.00 12.00 H new ATOM 0 HB VAL A 102 1.092 5.654 2.782 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.710 5.508 5.235 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -0.732 6.118 4.387 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.678 4.431 4.950 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.210 3.884 4.141 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.845 2.788 3.820 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.892 3.322 2.483 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.510 6.433 1.143 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.448 7.583 1.058 1.00 12.00 C ATOM 1603 C HIS A 103 -3.003 7.631 -0.358 1.00 12.00 C ATOM 1604 O HIS A 103 -2.252 7.620 -1.320 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.724 8.916 1.416 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.277 8.669 1.830 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.766 8.076 1.166 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 0.227 9.012 3.079 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.889 8.048 1.969 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.520 8.617 3.109 1.00 12.00 N flip ATOM 0 H HIS A 103 -0.818 6.383 0.396 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.260 7.457 1.774 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.749 9.587 0.558 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.256 9.415 2.226 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.313 9.502 3.876 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.861 7.648 1.721 1.00 12.00 H new ATOM 0 HE2 HIS A 103 2.137 8.742 3.912 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.311 7.669 -0.486 1.00 12.00 N ATOM 1619 CA PHE A 104 -4.935 7.699 -1.846 1.00 12.00 C ATOM 1620 C PHE A 104 -5.794 8.962 -1.963 1.00 12.00 C ATOM 1621 O PHE A 104 -6.695 9.174 -1.166 1.00 12.00 O ATOM 1622 CB PHE A 104 -5.803 6.453 -2.046 1.00 12.00 C ATOM 1623 CG PHE A 104 -5.222 5.571 -3.130 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -3.885 5.167 -3.061 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -6.025 5.147 -4.197 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -3.354 4.335 -4.052 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -5.493 4.319 -5.189 1.00 12.00 C ATOM 1628 CZ PHE A 104 -4.159 3.910 -5.116 1.00 12.00 C ATOM 0 H PHE A 104 -4.970 7.680 0.292 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.160 7.709 -2.612 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -5.870 5.895 -1.112 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -6.817 6.748 -2.314 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -3.263 5.497 -2.243 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -7.057 5.461 -4.253 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -2.322 4.020 -3.997 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -6.113 3.995 -6.012 1.00 12.00 H new ATOM 0 HZ PHE A 104 -3.749 3.266 -5.880 1.00 12.00 H new ATOM 1638 N ALA A 105 -5.507 9.802 -2.935 1.00 12.00 N ATOM 1639 CA ALA A 105 -6.286 11.071 -3.107 1.00 12.00 C ATOM 1640 C ALA A 105 -7.393 10.884 -4.149 1.00 12.00 C ATOM 1641 O ALA A 105 -8.440 11.503 -4.049 1.00 12.00 O ATOM 1642 CB ALA A 105 -5.343 12.197 -3.548 1.00 12.00 C ATOM 0 H ALA A 105 -4.763 9.660 -3.618 1.00 12.00 H new ATOM 0 HA ALA A 105 -6.746 11.333 -2.154 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -5.911 13.119 -3.673 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -4.573 12.344 -2.791 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -4.874 11.929 -4.495 1.00 12.00 H new ATOM 1648 N GLY A 106 -7.168 10.049 -5.144 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.208 9.830 -6.201 1.00 12.00 C ATOM 1650 C GLY A 106 -7.886 10.713 -7.411 1.00 12.00 C ATOM 1651 O GLY A 106 -7.141 11.667 -7.294 1.00 12.00 O ATOM 0 H GLY A 106 -6.309 9.512 -5.266 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.229 8.781 -6.496 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -9.197 10.072 -5.811 1.00 12.00 H new ATOM 1655 N ILE A 107 -8.460 10.399 -8.556 1.00 12.00 N ATOM 1656 CA ILE A 107 -8.234 11.212 -9.800 1.00 12.00 C ATOM 1657 C ILE A 107 -6.739 11.292 -10.145 1.00 12.00 C ATOM 1658 O ILE A 107 -5.927 11.733 -9.350 1.00 12.00 O ATOM 1659 CB ILE A 107 -8.793 12.623 -9.583 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -10.259 12.520 -9.142 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -8.705 13.424 -10.887 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -10.784 13.896 -8.712 1.00 12.00 C ATOM 0 H ILE A 107 -9.084 9.602 -8.681 1.00 12.00 H new ATOM 0 HA ILE A 107 -8.746 10.730 -10.632 1.00 12.00 H new ATOM 0 HB ILE A 107 -8.211 13.130 -8.814 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -10.865 12.131 -9.960 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -10.349 11.815 -8.316 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -9.104 14.426 -10.726 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -7.664 13.494 -11.201 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -9.285 12.923 -11.662 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -11.825 13.807 -8.402 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -10.188 14.269 -7.879 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -10.713 14.590 -9.549 1.00 12.00 H new ATOM 1674 N GLY A 108 -6.383 10.876 -11.341 1.00 12.00 N ATOM 1675 CA GLY A 108 -4.949 10.922 -11.778 1.00 12.00 C ATOM 1676 C GLY A 108 -4.604 12.330 -12.266 1.00 12.00 C ATOM 1677 O GLY A 108 -4.591 12.592 -13.457 1.00 12.00 O ATOM 0 H GLY A 108 -7.030 10.504 -12.037 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -4.297 10.644 -10.950 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -4.778 10.198 -12.575 1.00 12.00 H new