USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=27 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 : amide:sc= -4.49! C(o=-3.2!,f=-6.6!) USER MOD Set 1.2: A 83 TYR OH : rot -112:sc= 1.28 USER MOD Set 2.1: A 69 ASN : amide:sc= 0.684 K(o=1.5,f=-0.56) USER MOD Set 2.2: A 87 THR OG1 : rot -75:sc= 0.802 USER MOD Set 3.1: A 43 SER OG : rot 180:sc=-0.00562 USER MOD Set 3.2: A 44 SER OG : rot 50:sc= 1.29 USER MOD Set 3.3: A 47 THR OG1 : rot 28:sc= 1.58 USER MOD Single : A 2 ASN : amide:sc= -0.862 K(o=-0.86,f=-2.4) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -14.3! C(o=-14!,f=-17!) USER MOD Single : A 13 ASN : amide:sc= -0.662 K(o=-0.66,f=-5.2!) USER MOD Single : A 14 THR OG1 : rot 43:sc= 0.87 USER MOD Single : A 18 ASN : amide:sc= -1.35 K(o=-1.3,f=-4.1!) USER MOD Single : A 20 ASN : amide:sc= -1.16 K(o=-1.2,f=-2) USER MOD Single : A 21 THR OG1 : rot 54:sc= -2.05 USER MOD Single : A 23 MET CE :methyl -165:sc= -0.203 (180deg=-0.717) USER MOD Single : A 25 ASN : amide:sc= -4.68 K(o=-4.7,f=-12!) USER MOD Single : A 26 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.15) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 110:sc= -2.04! 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 -17:sc= 0.237 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.033) USER MOD Single : A 62 SER OG : rot -130:sc= -0.927 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0613 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 84 SER OG : rot 40:sc= 0.858 USER MOD Single : A 85 SER OG : rot -82:sc= 1.04 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -1.9 F(o=-4.1!,f=-1.9) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 11:sc= -0.323 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 58:sc= -1.15! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -9.69! C(o=-11!,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -2.942 0.874 7.799 1.00 12.00 N ATOM 16 CA ASN A 2 -2.227 -0.441 7.791 1.00 12.00 C ATOM 17 C ASN A 2 -2.464 -1.135 6.434 1.00 12.00 C ATOM 18 O ASN A 2 -3.338 -0.745 5.681 1.00 12.00 O ATOM 19 CB ASN A 2 -2.757 -1.275 8.971 1.00 12.00 C ATOM 20 CG ASN A 2 -2.238 -2.718 8.921 1.00 12.00 C ATOM 21 OD1 ASN A 2 -3.013 -3.646 8.811 1.00 12.00 O ATOM 22 ND2 ASN A 2 -0.957 -2.950 9.017 1.00 12.00 N ATOM 0 HA ASN A 2 -1.151 -0.316 7.910 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.454 -0.811 9.910 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -3.847 -1.279 8.954 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -0.610 -3.909 8.999 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -0.303 -2.172 9.110 1.00 12.00 H new ATOM 29 N TRP A 3 -1.663 -2.135 6.118 1.00 12.00 N ATOM 30 CA TRP A 3 -1.781 -2.860 4.795 1.00 12.00 C ATOM 31 C TRP A 3 -3.071 -3.712 4.755 1.00 12.00 C ATOM 32 O TRP A 3 -3.699 -3.825 3.721 1.00 12.00 O ATOM 33 CB TRP A 3 -0.553 -3.779 4.609 1.00 12.00 C ATOM 34 CG TRP A 3 0.164 -3.519 3.312 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.476 -3.194 3.226 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.326 -3.591 1.933 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.828 -3.079 1.895 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.755 -3.313 1.059 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.581 -3.871 1.356 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.600 -3.320 -0.329 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -1.740 -3.878 -0.043 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.651 -3.606 -0.883 1.00 12.00 C ATOM 0 H TRP A 3 -0.923 -2.486 6.726 1.00 12.00 H new ATOM 0 HA TRP A 3 -1.824 -2.124 3.992 1.00 12.00 H new ATOM 0 HB2 TRP A 3 0.138 -3.631 5.439 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -0.873 -4.820 4.642 1.00 12.00 H new ATOM 0 HD1 TRP A 3 2.141 -3.048 4.064 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.767 -2.849 1.570 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.428 -4.082 1.992 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.442 -3.106 -0.971 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -2.707 -4.094 -0.472 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.778 -3.617 -1.955 1.00 12.00 H new ATOM 53 N ALA A 4 -3.453 -4.326 5.863 1.00 12.00 N ATOM 54 CA ALA A 4 -4.690 -5.194 5.892 1.00 12.00 C ATOM 55 C ALA A 4 -5.957 -4.339 5.728 1.00 12.00 C ATOM 56 O ALA A 4 -6.757 -4.557 4.821 1.00 12.00 O ATOM 57 CB ALA A 4 -4.752 -5.936 7.228 1.00 12.00 C ATOM 0 H ALA A 4 -2.958 -4.262 6.753 1.00 12.00 H new ATOM 0 HA ALA A 4 -4.639 -5.905 5.068 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -5.643 -6.564 7.255 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -3.865 -6.560 7.339 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -4.793 -5.214 8.044 1.00 12.00 H new ATOM 63 N THR A 5 -6.139 -3.374 6.602 1.00 12.00 N ATOM 64 CA THR A 5 -7.337 -2.479 6.526 1.00 12.00 C ATOM 65 C THR A 5 -7.280 -1.715 5.201 1.00 12.00 C ATOM 66 O THR A 5 -8.304 -1.436 4.597 1.00 12.00 O ATOM 67 CB THR A 5 -7.336 -1.497 7.705 1.00 12.00 C ATOM 68 OG1 THR A 5 -6.884 -2.162 8.878 1.00 12.00 O ATOM 69 CG2 THR A 5 -8.755 -0.979 7.929 1.00 12.00 C ATOM 0 H THR A 5 -5.501 -3.168 7.371 1.00 12.00 H new ATOM 0 HA THR A 5 -8.252 -3.070 6.577 1.00 12.00 H new ATOM 0 HB THR A 5 -6.671 -0.662 7.484 1.00 12.00 H new ATOM 0 HG1 THR A 5 -6.882 -1.534 9.630 1.00 12.00 H new ATOM 0 HG21 THR A 5 -8.760 -0.281 8.766 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.103 -0.470 7.030 1.00 12.00 H new ATOM 0 HG23 THR A 5 -9.417 -1.816 8.151 1.00 12.00 H new ATOM 77 N PHE A 6 -6.081 -1.418 4.730 1.00 12.00 N ATOM 78 CA PHE A 6 -5.926 -0.717 3.418 1.00 12.00 C ATOM 79 C PHE A 6 -6.260 -1.710 2.305 1.00 12.00 C ATOM 80 O PHE A 6 -6.695 -1.319 1.239 1.00 12.00 O ATOM 81 CB PHE A 6 -4.503 -0.196 3.254 1.00 12.00 C ATOM 82 CG PHE A 6 -4.335 0.422 1.872 1.00 12.00 C ATOM 83 CD1 PHE A 6 -3.912 -0.390 0.813 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.595 1.794 1.645 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.743 0.151 -0.464 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.425 2.333 0.363 1.00 12.00 C ATOM 87 CZ PHE A 6 -3.997 1.505 -0.689 1.00 12.00 C ATOM 0 H PHE A 6 -5.205 -1.635 5.206 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.600 0.139 3.372 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.287 0.546 4.023 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.790 -1.010 3.387 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -3.716 -1.438 0.984 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.924 2.424 2.458 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.416 -0.479 -1.278 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.622 3.380 0.184 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.864 1.919 -1.678 1.00 12.00 H new ATOM 97 N GLN A 7 -6.096 -3.000 2.558 1.00 12.00 N ATOM 98 CA GLN A 7 -6.447 -4.034 1.526 1.00 12.00 C ATOM 99 C GLN A 7 -7.897 -3.792 1.125 1.00 12.00 C ATOM 100 O GLN A 7 -8.268 -3.945 -0.022 1.00 12.00 O ATOM 101 CB GLN A 7 -6.282 -5.447 2.096 1.00 12.00 C ATOM 102 CG GLN A 7 -6.433 -6.468 0.966 1.00 12.00 C ATOM 103 CD GLN A 7 -5.734 -7.774 1.353 1.00 12.00 C ATOM 104 OE1 GLN A 7 -6.223 -8.515 2.183 1.00 12.00 O ATOM 105 NE2 GLN A 7 -4.604 -8.091 0.781 1.00 12.00 N ATOM 0 H GLN A 7 -5.734 -3.375 3.435 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.785 -3.953 0.664 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.304 -5.550 2.567 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.029 -5.629 2.869 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.489 -6.654 0.770 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -6.002 -6.073 0.046 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -4.193 -7.470 0.084 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -4.132 -8.960 1.031 1.00 12.00 H new ATOM 114 N GLN A 8 -8.694 -3.350 2.075 1.00 12.00 N ATOM 115 CA GLN A 8 -10.110 -3.003 1.774 1.00 12.00 C ATOM 116 C GLN A 8 -10.111 -1.600 1.148 1.00 12.00 C ATOM 117 O GLN A 8 -10.867 -1.322 0.234 1.00 12.00 O ATOM 118 CB GLN A 8 -10.939 -2.990 3.065 1.00 12.00 C ATOM 119 CG GLN A 8 -11.759 -4.278 3.166 1.00 12.00 C ATOM 120 CD GLN A 8 -11.988 -4.623 4.639 1.00 12.00 C ATOM 121 OE1 GLN A 8 -13.073 -4.445 5.156 1.00 12.00 O ATOM 122 NE2 GLN A 8 -11.004 -5.113 5.342 1.00 12.00 N ATOM 0 H GLN A 8 -8.416 -3.217 3.047 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.547 -3.736 1.096 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.282 -2.898 3.930 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.601 -2.124 3.074 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.715 -4.154 2.658 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -11.237 -5.094 2.667 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -10.093 -5.263 4.909 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -11.146 -5.346 6.325 1.00 12.00 H new ATOM 131 N LYS A 9 -9.251 -0.717 1.643 1.00 12.00 N ATOM 132 CA LYS A 9 -9.167 0.692 1.112 1.00 12.00 C ATOM 133 C LYS A 9 -9.191 0.706 -0.430 1.00 12.00 C ATOM 134 O LYS A 9 -10.055 1.336 -1.021 1.00 12.00 O ATOM 135 CB LYS A 9 -7.897 1.390 1.653 1.00 12.00 C ATOM 136 CG LYS A 9 -7.838 2.838 1.150 1.00 12.00 C ATOM 137 CD LYS A 9 -8.876 3.693 1.883 1.00 12.00 C ATOM 138 CE LYS A 9 -8.359 4.048 3.277 1.00 12.00 C ATOM 139 NZ LYS A 9 -7.760 5.412 3.250 1.00 12.00 N ATOM 0 H LYS A 9 -8.599 -0.921 2.401 1.00 12.00 H new ATOM 0 HA LYS A 9 -10.040 1.244 1.459 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -7.900 1.375 2.743 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.009 0.848 1.330 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -6.840 3.246 1.311 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -8.025 2.866 0.077 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -9.078 4.602 1.317 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -9.818 3.151 1.961 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -9.174 4.011 4.000 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -7.615 3.318 3.598 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -7.408 5.655 4.198 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -6.972 5.432 2.572 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -8.482 6.103 2.961 1.00 12.00 H new ATOM 153 N HIS A 10 -8.265 0.021 -1.081 1.00 12.00 N ATOM 154 CA HIS A 10 -8.250 -0.002 -2.584 1.00 12.00 C ATOM 155 C HIS A 10 -8.885 -1.284 -3.138 1.00 12.00 C ATOM 156 O HIS A 10 -9.386 -1.279 -4.249 1.00 12.00 O ATOM 157 CB HIS A 10 -6.809 0.064 -3.122 1.00 12.00 C ATOM 158 CG HIS A 10 -6.275 1.459 -3.036 1.00 12.00 C ATOM 159 ND1 HIS A 10 -6.417 2.227 -1.900 1.00 12.00 N ATOM 160 CD2 HIS A 10 -5.555 2.219 -3.922 1.00 12.00 C ATOM 161 CE1 HIS A 10 -5.793 3.397 -2.122 1.00 12.00 C ATOM 162 NE2 HIS A 10 -5.249 3.445 -3.341 1.00 12.00 N ATOM 0 H HIS A 10 -7.524 -0.519 -0.635 1.00 12.00 H new ATOM 0 HA HIS A 10 -8.823 0.867 -2.907 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -6.171 -0.611 -2.551 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -6.786 -0.276 -4.157 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -5.270 1.913 -4.918 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -5.738 4.200 -1.402 1.00 12.00 H new ATOM 0 HE2 HIS A 10 -4.723 4.214 -3.756 1.00 12.00 H new ATOM 170 N ILE A 11 -8.788 -2.398 -2.431 1.00 12.00 N ATOM 171 CA ILE A 11 -9.298 -3.686 -3.012 1.00 12.00 C ATOM 172 C ILE A 11 -10.660 -4.172 -2.469 1.00 12.00 C ATOM 173 O ILE A 11 -10.766 -5.263 -1.916 1.00 12.00 O ATOM 174 CB ILE A 11 -8.240 -4.798 -2.834 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.822 -4.256 -3.074 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.519 -5.919 -3.836 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.723 -3.602 -4.460 1.00 12.00 C ATOM 0 H ILE A 11 -8.386 -2.467 -1.496 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.474 -3.468 -4.065 1.00 12.00 H new ATOM 0 HB ILE A 11 -8.301 -5.172 -1.812 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.569 -3.528 -2.303 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -6.098 -5.067 -2.996 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.776 -6.707 -3.716 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.514 -6.327 -3.657 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.467 -5.522 -4.850 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.712 -3.224 -4.613 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.954 -4.340 -5.228 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -7.432 -2.777 -4.525 1.00 12.00 H new ATOM 189 N ILE A 12 -11.717 -3.434 -2.734 1.00 12.00 N ATOM 190 CA ILE A 12 -13.082 -3.928 -2.367 1.00 12.00 C ATOM 191 C ILE A 12 -13.588 -4.584 -3.660 1.00 12.00 C ATOM 192 O ILE A 12 -14.530 -4.129 -4.288 1.00 12.00 O ATOM 193 CB ILE A 12 -14.015 -2.780 -1.950 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.294 -1.857 -0.974 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.258 -3.357 -1.270 1.00 12.00 C ATOM 196 CD1 ILE A 12 -12.638 -0.708 -1.742 1.00 12.00 C ATOM 0 H ILE A 12 -11.692 -2.519 -3.185 1.00 12.00 H new ATOM 0 HA ILE A 12 -13.056 -4.607 -1.515 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.306 -2.215 -2.836 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -13.999 -1.463 -0.242 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.539 -2.415 -0.420 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.921 -2.544 -0.974 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.780 -4.016 -1.964 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -14.960 -3.923 -0.387 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -12.123 -0.050 -1.042 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -11.920 -1.111 -2.456 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -13.403 -0.144 -2.276 1.00 12.00 H new ATOM 208 N ASN A 13 -12.893 -5.626 -4.086 1.00 12.00 N ATOM 209 CA ASN A 13 -13.226 -6.323 -5.369 1.00 12.00 C ATOM 210 C ASN A 13 -14.493 -7.170 -5.204 1.00 12.00 C ATOM 211 O ASN A 13 -14.439 -8.379 -5.012 1.00 12.00 O ATOM 212 CB ASN A 13 -12.044 -7.210 -5.798 1.00 12.00 C ATOM 213 CG ASN A 13 -12.080 -7.408 -7.316 1.00 12.00 C ATOM 214 OD1 ASN A 13 -12.349 -6.482 -8.058 1.00 12.00 O ATOM 215 ND2 ASN A 13 -11.813 -8.582 -7.816 1.00 12.00 N ATOM 0 H ASN A 13 -12.098 -6.023 -3.585 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.411 -5.576 -6.141 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -11.102 -6.747 -5.503 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -12.097 -8.175 -5.293 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -11.830 -8.722 -8.826 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -11.587 -9.361 -7.197 1.00 12.00 H new ATOM 222 N THR A 14 -15.633 -6.529 -5.292 1.00 12.00 N ATOM 223 CA THR A 14 -16.936 -7.243 -5.166 1.00 12.00 C ATOM 224 C THR A 14 -17.712 -7.069 -6.489 1.00 12.00 C ATOM 225 O THR A 14 -18.194 -5.978 -6.744 1.00 12.00 O ATOM 226 CB THR A 14 -17.737 -6.619 -4.020 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.808 -5.212 -4.206 1.00 12.00 O ATOM 228 CG2 THR A 14 -17.048 -6.927 -2.690 1.00 12.00 C ATOM 0 H THR A 14 -15.714 -5.524 -5.448 1.00 12.00 H new ATOM 0 HA THR A 14 -16.775 -8.301 -4.961 1.00 12.00 H new ATOM 0 HB THR A 14 -18.745 -7.035 -4.009 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.996 -5.016 -5.148 1.00 12.00 H new ATOM 0 HG21 THR A 14 -17.618 -6.483 -1.874 1.00 12.00 H new ATOM 0 HG22 THR A 14 -16.994 -8.007 -2.550 1.00 12.00 H new ATOM 0 HG23 THR A 14 -16.040 -6.511 -2.697 1.00 12.00 H new ATOM 236 N PRO A 15 -17.817 -8.119 -7.314 1.00 12.00 N ATOM 237 CA PRO A 15 -18.543 -8.032 -8.609 1.00 12.00 C ATOM 238 C PRO A 15 -20.072 -8.184 -8.422 1.00 12.00 C ATOM 239 O PRO A 15 -20.745 -8.779 -9.253 1.00 12.00 O ATOM 240 CB PRO A 15 -17.985 -9.213 -9.412 1.00 12.00 C ATOM 241 CG PRO A 15 -17.449 -10.231 -8.382 1.00 12.00 C ATOM 242 CD PRO A 15 -17.224 -9.464 -7.067 1.00 12.00 C ATOM 0 HA PRO A 15 -18.402 -7.067 -9.096 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -18.761 -9.661 -10.032 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -17.191 -8.885 -10.083 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -18.160 -11.044 -8.237 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -16.519 -10.679 -8.731 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -17.709 -9.964 -6.228 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -16.163 -9.392 -6.826 1.00 12.00 H new ATOM 250 N ILE A 16 -20.622 -7.643 -7.351 1.00 12.00 N ATOM 251 CA ILE A 16 -22.092 -7.736 -7.101 1.00 12.00 C ATOM 252 C ILE A 16 -22.698 -6.332 -7.206 1.00 12.00 C ATOM 253 O ILE A 16 -21.982 -5.343 -7.186 1.00 12.00 O ATOM 254 CB ILE A 16 -22.329 -8.304 -5.697 1.00 12.00 C ATOM 255 CG1 ILE A 16 -21.583 -9.636 -5.552 1.00 12.00 C ATOM 256 CG2 ILE A 16 -23.826 -8.534 -5.477 1.00 12.00 C ATOM 257 CD1 ILE A 16 -20.213 -9.392 -4.911 1.00 12.00 C ATOM 0 H ILE A 16 -20.102 -7.136 -6.635 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.560 -8.392 -7.835 1.00 12.00 H new ATOM 0 HB ILE A 16 -21.960 -7.595 -4.956 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -22.165 -10.325 -4.939 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -21.460 -10.104 -6.529 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -23.989 -8.938 -4.478 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -24.358 -7.588 -5.577 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -24.198 -9.240 -6.219 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -19.685 -10.340 -4.809 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -19.631 -8.719 -5.541 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -20.347 -8.943 -3.927 1.00 12.00 H new ATOM 269 N ILE A 17 -24.007 -6.242 -7.325 1.00 12.00 N ATOM 270 CA ILE A 17 -24.677 -4.902 -7.441 1.00 12.00 C ATOM 271 C ILE A 17 -25.199 -4.458 -6.064 1.00 12.00 C ATOM 272 O ILE A 17 -26.217 -3.788 -5.955 1.00 12.00 O ATOM 273 CB ILE A 17 -25.828 -5.000 -8.449 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.798 -6.099 -8.009 1.00 12.00 C ATOM 275 CG2 ILE A 17 -25.267 -5.337 -9.835 1.00 12.00 C ATOM 276 CD1 ILE A 17 -28.102 -5.974 -8.798 1.00 12.00 C ATOM 0 H ILE A 17 -24.640 -7.041 -7.347 1.00 12.00 H new ATOM 0 HA ILE A 17 -23.960 -4.160 -7.792 1.00 12.00 H new ATOM 0 HB ILE A 17 -26.355 -4.047 -8.493 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -26.353 -7.080 -8.175 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -26.998 -6.016 -6.941 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -26.085 -5.407 -10.552 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -24.576 -4.554 -10.148 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -24.740 -6.290 -9.792 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -28.793 -6.757 -8.485 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -28.549 -4.998 -8.609 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -27.894 -6.078 -9.863 1.00 12.00 H new ATOM 288 N ASN A 18 -24.483 -4.813 -5.018 1.00 12.00 N ATOM 289 CA ASN A 18 -24.886 -4.415 -3.625 1.00 12.00 C ATOM 290 C ASN A 18 -23.694 -3.712 -2.961 1.00 12.00 C ATOM 291 O ASN A 18 -22.836 -4.353 -2.370 1.00 12.00 O ATOM 292 CB ASN A 18 -25.279 -5.665 -2.816 1.00 12.00 C ATOM 293 CG ASN A 18 -26.225 -6.545 -3.638 1.00 12.00 C ATOM 294 OD1 ASN A 18 -25.956 -7.710 -3.857 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.333 -6.034 -4.100 1.00 12.00 N ATOM 0 H ASN A 18 -23.628 -5.367 -5.071 1.00 12.00 H new ATOM 0 HA ASN A 18 -25.744 -3.743 -3.659 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.386 -6.229 -2.547 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.762 -5.369 -1.885 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -27.973 -6.612 -4.645 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -27.559 -5.056 -3.916 1.00 12.00 H new ATOM 302 N CYS A 19 -23.624 -2.399 -3.083 1.00 12.00 N ATOM 303 CA CYS A 19 -22.470 -1.634 -2.489 1.00 12.00 C ATOM 304 C CYS A 19 -22.619 -1.493 -0.967 1.00 12.00 C ATOM 305 O CYS A 19 -21.656 -1.169 -0.297 1.00 12.00 O ATOM 306 CB CYS A 19 -22.365 -0.234 -3.121 1.00 12.00 C ATOM 307 SG CYS A 19 -22.510 -0.356 -4.922 1.00 12.00 S ATOM 0 H CYS A 19 -24.315 -1.826 -3.567 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.562 -2.198 -2.702 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.150 0.412 -2.727 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.412 0.224 -2.855 1.00 12.00 H new ATOM 312 N ASN A 20 -23.799 -1.729 -0.412 1.00 12.00 N ATOM 313 CA ASN A 20 -23.978 -1.596 1.084 1.00 12.00 C ATOM 314 C ASN A 20 -23.518 -2.881 1.781 1.00 12.00 C ATOM 315 O ASN A 20 -22.744 -2.839 2.723 1.00 12.00 O ATOM 316 CB ASN A 20 -25.449 -1.315 1.440 1.00 12.00 C ATOM 317 CG ASN A 20 -26.383 -2.233 0.646 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.686 -3.329 1.073 1.00 12.00 O ATOM 319 ND2 ASN A 20 -26.859 -1.823 -0.498 1.00 12.00 N ATOM 0 H ASN A 20 -24.637 -2.005 -0.925 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.372 -0.757 1.426 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -25.605 -1.465 2.508 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -25.687 -0.273 1.227 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -27.486 -2.423 -1.034 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -26.604 -0.903 -0.856 1.00 12.00 H new ATOM 326 N THR A 21 -23.999 -4.011 1.319 1.00 12.00 N ATOM 327 CA THR A 21 -23.624 -5.331 1.926 1.00 12.00 C ATOM 328 C THR A 21 -22.106 -5.522 1.869 1.00 12.00 C ATOM 329 O THR A 21 -21.525 -6.119 2.761 1.00 12.00 O ATOM 330 CB THR A 21 -24.311 -6.475 1.157 1.00 12.00 C ATOM 331 OG1 THR A 21 -24.530 -6.095 -0.198 1.00 12.00 O ATOM 332 CG2 THR A 21 -25.653 -6.806 1.816 1.00 12.00 C ATOM 0 H THR A 21 -24.647 -4.076 0.534 1.00 12.00 H new ATOM 0 HA THR A 21 -23.951 -5.344 2.966 1.00 12.00 H new ATOM 0 HB THR A 21 -23.665 -7.353 1.181 1.00 12.00 H new ATOM 0 HG1 THR A 21 -23.684 -5.800 -0.596 1.00 12.00 H new ATOM 0 HG21 THR A 21 -26.137 -7.616 1.270 1.00 12.00 H new ATOM 0 HG22 THR A 21 -25.485 -7.114 2.848 1.00 12.00 H new ATOM 0 HG23 THR A 21 -26.294 -5.924 1.800 1.00 12.00 H new ATOM 340 N ILE A 22 -21.468 -5.025 0.828 1.00 12.00 N ATOM 341 CA ILE A 22 -19.983 -5.177 0.699 1.00 12.00 C ATOM 342 C ILE A 22 -19.273 -4.183 1.625 1.00 12.00 C ATOM 343 O ILE A 22 -18.270 -4.520 2.236 1.00 12.00 O ATOM 344 CB ILE A 22 -19.545 -4.946 -0.753 1.00 12.00 C ATOM 345 CG1 ILE A 22 -19.946 -3.541 -1.214 1.00 12.00 C ATOM 346 CG2 ILE A 22 -20.207 -5.986 -1.661 1.00 12.00 C ATOM 347 CD1 ILE A 22 -18.781 -2.577 -0.983 1.00 12.00 C ATOM 0 H ILE A 22 -21.916 -4.521 0.063 1.00 12.00 H new ATOM 0 HA ILE A 22 -19.710 -6.192 0.988 1.00 12.00 H new ATOM 0 HB ILE A 22 -18.461 -5.043 -0.811 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -20.216 -3.556 -2.270 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -20.825 -3.204 -0.665 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -19.895 -5.820 -2.692 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -19.908 -6.986 -1.347 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -21.291 -5.893 -1.591 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.066 -1.577 -1.311 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -18.533 -2.554 0.078 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -17.913 -2.912 -1.551 1.00 12.00 H new ATOM 359 N MET A 23 -19.786 -2.970 1.740 1.00 12.00 N ATOM 360 CA MET A 23 -19.141 -1.952 2.634 1.00 12.00 C ATOM 361 C MET A 23 -19.788 -1.979 4.029 1.00 12.00 C ATOM 362 O MET A 23 -19.563 -1.083 4.825 1.00 12.00 O ATOM 363 CB MET A 23 -19.271 -0.546 2.020 1.00 12.00 C ATOM 364 CG MET A 23 -20.735 -0.087 2.013 1.00 12.00 C ATOM 365 SD MET A 23 -21.024 1.025 3.412 1.00 12.00 S ATOM 366 CE MET A 23 -22.791 1.290 3.128 1.00 12.00 C ATOM 0 H MET A 23 -20.622 -2.647 1.252 1.00 12.00 H new ATOM 0 HA MET A 23 -18.084 -2.198 2.733 1.00 12.00 H new ATOM 0 HB2 MET A 23 -18.666 0.161 2.588 1.00 12.00 H new ATOM 0 HB3 MET A 23 -18.882 -0.552 1.002 1.00 12.00 H new ATOM 0 HG2 MET A 23 -20.963 0.422 1.077 1.00 12.00 H new ATOM 0 HG3 MET A 23 -21.398 -0.950 2.077 1.00 12.00 H new ATOM 0 HE1 MET A 23 -23.128 2.149 3.709 1.00 12.00 H new ATOM 0 HE2 MET A 23 -22.965 1.478 2.068 1.00 12.00 H new ATOM 0 HE3 MET A 23 -23.346 0.404 3.435 1.00 12.00 H new ATOM 376 N ASP A 24 -20.577 -2.999 4.330 1.00 12.00 N ATOM 377 CA ASP A 24 -21.231 -3.092 5.679 1.00 12.00 C ATOM 378 C ASP A 24 -20.126 -3.145 6.749 1.00 12.00 C ATOM 379 O ASP A 24 -19.622 -4.207 7.079 1.00 12.00 O ATOM 380 CB ASP A 24 -22.096 -4.365 5.735 1.00 12.00 C ATOM 381 CG ASP A 24 -23.531 -4.093 5.230 1.00 12.00 C ATOM 382 OD1 ASP A 24 -23.859 -2.948 4.945 1.00 12.00 O ATOM 383 OD2 ASP A 24 -24.284 -5.049 5.145 1.00 12.00 O ATOM 0 H ASP A 24 -20.792 -3.768 3.695 1.00 12.00 H new ATOM 0 HA ASP A 24 -21.871 -2.228 5.859 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -21.637 -5.146 5.129 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -22.133 -4.737 6.759 1.00 12.00 H new ATOM 388 N ASN A 25 -19.735 -1.994 7.266 1.00 12.00 N ATOM 389 CA ASN A 25 -18.648 -1.934 8.292 1.00 12.00 C ATOM 390 C ASN A 25 -18.545 -0.512 8.840 1.00 12.00 C ATOM 391 O ASN A 25 -18.915 0.442 8.174 1.00 12.00 O ATOM 392 CB ASN A 25 -17.314 -2.313 7.634 1.00 12.00 C ATOM 393 CG ASN A 25 -16.204 -2.372 8.688 1.00 12.00 C ATOM 394 OD1 ASN A 25 -15.123 -1.861 8.474 1.00 12.00 O ATOM 395 ND2 ASN A 25 -16.420 -2.984 9.821 1.00 12.00 N ATOM 0 H ASN A 25 -20.131 -1.089 7.014 1.00 12.00 H new ATOM 0 HA ASN A 25 -18.873 -2.626 9.104 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -17.406 -3.279 7.138 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -17.058 -1.583 6.866 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -15.682 -3.032 10.523 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -17.327 -3.414 10.004 1.00 12.00 H new ATOM 402 N ASN A 26 -18.029 -0.373 10.042 1.00 12.00 N ATOM 403 CA ASN A 26 -17.870 0.988 10.658 1.00 12.00 C ATOM 404 C ASN A 26 -16.736 1.752 9.955 1.00 12.00 C ATOM 405 O ASN A 26 -16.565 2.940 10.179 1.00 12.00 O ATOM 406 CB ASN A 26 -17.536 0.846 12.145 1.00 12.00 C ATOM 407 CG ASN A 26 -17.580 2.223 12.810 1.00 12.00 C ATOM 408 OD1 ASN A 26 -18.644 2.752 13.067 1.00 12.00 O ATOM 409 ND2 ASN A 26 -16.462 2.830 13.101 1.00 12.00 N ATOM 0 H ASN A 26 -17.710 -1.147 10.625 1.00 12.00 H new ATOM 0 HA ASN A 26 -18.803 1.539 10.544 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -18.247 0.175 12.626 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -16.548 0.403 12.266 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -16.481 3.748 13.544 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -15.569 2.386 12.885 1.00 12.00 H new ATOM 416 N ILE A 27 -15.959 1.082 9.111 1.00 12.00 N ATOM 417 CA ILE A 27 -14.832 1.767 8.396 1.00 12.00 C ATOM 418 C ILE A 27 -15.337 2.439 7.103 1.00 12.00 C ATOM 419 O ILE A 27 -14.543 2.917 6.309 1.00 12.00 O ATOM 420 CB ILE A 27 -13.752 0.732 8.049 1.00 12.00 C ATOM 421 CG1 ILE A 27 -13.304 0.011 9.323 1.00 12.00 C ATOM 422 CG2 ILE A 27 -12.544 1.429 7.420 1.00 12.00 C ATOM 423 CD1 ILE A 27 -12.385 -1.152 8.948 1.00 12.00 C ATOM 0 H ILE A 27 -16.065 0.091 8.893 1.00 12.00 H new ATOM 0 HA ILE A 27 -14.416 2.536 9.047 1.00 12.00 H new ATOM 0 HB ILE A 27 -14.166 0.013 7.342 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -12.782 0.704 9.983 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -14.172 -0.358 9.870 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -11.782 0.688 7.177 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -12.854 1.943 6.510 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -12.134 2.153 8.124 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -12.064 -1.668 9.853 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -12.923 -1.848 8.305 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -11.512 -0.770 8.419 1.00 12.00 H new ATOM 435 N TYR A 28 -16.643 2.481 6.887 1.00 12.00 N ATOM 436 CA TYR A 28 -17.193 3.124 5.642 1.00 12.00 C ATOM 437 C TYR A 28 -18.411 4.014 5.998 1.00 12.00 C ATOM 438 O TYR A 28 -19.505 3.823 5.479 1.00 12.00 O ATOM 439 CB TYR A 28 -17.603 2.024 4.645 1.00 12.00 C ATOM 440 CG TYR A 28 -16.365 1.467 3.994 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.629 2.264 3.111 1.00 12.00 C ATOM 442 CD2 TYR A 28 -15.946 0.160 4.278 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.477 1.757 2.508 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.789 -0.346 3.673 1.00 12.00 C ATOM 445 CZ TYR A 28 -14.054 0.453 2.789 1.00 12.00 C ATOM 446 OH TYR A 28 -12.912 -0.044 2.196 1.00 12.00 O ATOM 0 H TYR A 28 -17.346 2.098 7.519 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.429 3.755 5.187 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.146 1.232 5.161 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.275 2.432 3.890 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.952 3.272 2.896 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -16.514 -0.455 4.961 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.911 2.372 1.824 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -14.463 -1.353 3.888 1.00 12.00 H new ATOM 0 HH TYR A 28 -12.287 0.691 2.024 1.00 12.00 H new ATOM 456 N ILE A 29 -18.236 4.988 6.887 1.00 12.00 N ATOM 457 CA ILE A 29 -19.384 5.880 7.278 1.00 12.00 C ATOM 458 C ILE A 29 -18.858 7.252 7.692 1.00 12.00 C ATOM 459 O ILE A 29 -17.795 7.363 8.282 1.00 12.00 O ATOM 460 CB ILE A 29 -20.144 5.275 8.464 1.00 12.00 C ATOM 461 CG1 ILE A 29 -20.428 3.786 8.208 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.463 6.034 8.641 1.00 12.00 C ATOM 463 CD1 ILE A 29 -21.149 3.172 9.413 1.00 12.00 C ATOM 0 H ILE A 29 -17.352 5.196 7.351 1.00 12.00 H new ATOM 0 HA ILE A 29 -20.051 5.976 6.421 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.541 5.361 9.368 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -21.039 3.673 7.313 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -19.493 3.256 8.025 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -22.015 5.614 9.482 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -21.254 7.086 8.833 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -22.060 5.943 7.734 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -21.345 2.117 9.221 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -20.523 3.269 10.300 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -22.093 3.693 9.576 1.00 12.00 H new ATOM 475 N VAL A 30 -19.614 8.291 7.403 1.00 12.00 N ATOM 476 CA VAL A 30 -19.195 9.681 7.792 1.00 12.00 C ATOM 477 C VAL A 30 -20.133 10.168 8.925 1.00 12.00 C ATOM 478 O VAL A 30 -20.853 9.368 9.506 1.00 12.00 O ATOM 479 CB VAL A 30 -19.213 10.582 6.528 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.618 11.102 6.210 1.00 12.00 C ATOM 481 CG2 VAL A 30 -18.251 11.764 6.711 1.00 12.00 C ATOM 0 H VAL A 30 -20.507 8.235 6.912 1.00 12.00 H new ATOM 0 HA VAL A 30 -18.177 9.715 8.180 1.00 12.00 H new ATOM 0 HB VAL A 30 -18.890 9.969 5.687 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -20.581 11.727 5.318 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -21.287 10.259 6.035 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -20.987 11.690 7.050 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -18.270 12.390 5.819 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -18.559 12.353 7.575 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -17.240 11.389 6.869 1.00 12.00 H new ATOM 491 N GLY A 31 -20.105 11.441 9.273 1.00 12.00 N ATOM 492 CA GLY A 31 -20.964 11.943 10.400 1.00 12.00 C ATOM 493 C GLY A 31 -22.259 12.574 9.878 1.00 12.00 C ATOM 494 O GLY A 31 -22.437 13.779 9.954 1.00 12.00 O ATOM 0 H GLY A 31 -19.525 12.150 8.825 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -21.204 11.119 11.071 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -20.409 12.678 10.983 1.00 12.00 H new ATOM 498 N GLY A 32 -23.170 11.762 9.376 1.00 12.00 N ATOM 499 CA GLY A 32 -24.478 12.287 8.869 1.00 12.00 C ATOM 500 C GLY A 32 -25.454 11.119 8.686 1.00 12.00 C ATOM 501 O GLY A 32 -26.481 11.045 9.341 1.00 12.00 O ATOM 0 H GLY A 32 -23.057 10.751 9.298 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -24.889 13.013 9.571 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -24.332 12.806 7.922 1.00 12.00 H new ATOM 505 N GLN A 33 -25.122 10.214 7.792 1.00 12.00 N ATOM 506 CA GLN A 33 -25.986 9.019 7.514 1.00 12.00 C ATOM 507 C GLN A 33 -25.157 8.010 6.725 1.00 12.00 C ATOM 508 O GLN A 33 -24.852 6.929 7.200 1.00 12.00 O ATOM 509 CB GLN A 33 -27.195 9.442 6.677 1.00 12.00 C ATOM 510 CG GLN A 33 -28.343 9.846 7.601 1.00 12.00 C ATOM 511 CD GLN A 33 -29.668 9.711 6.849 1.00 12.00 C ATOM 512 OE1 GLN A 33 -30.619 9.157 7.364 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.771 10.195 5.640 1.00 12.00 N ATOM 0 H GLN A 33 -24.270 10.255 7.232 1.00 12.00 H new ATOM 0 HA GLN A 33 -26.336 8.581 8.449 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -26.927 10.276 6.028 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -27.507 8.622 6.030 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.350 9.214 8.489 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -28.207 10.873 7.941 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -28.973 10.660 5.207 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -30.649 10.108 5.129 1.00 12.00 H new ATOM 522 N CYS A 34 -24.786 8.385 5.519 1.00 12.00 N ATOM 523 CA CYS A 34 -23.957 7.503 4.641 1.00 12.00 C ATOM 524 C CYS A 34 -22.948 8.373 3.882 1.00 12.00 C ATOM 525 O CYS A 34 -23.055 9.591 3.877 1.00 12.00 O ATOM 526 CB CYS A 34 -24.862 6.771 3.645 1.00 12.00 C ATOM 527 SG CYS A 34 -25.876 7.974 2.751 1.00 12.00 S ATOM 0 H CYS A 34 -25.030 9.284 5.102 1.00 12.00 H new ATOM 0 HA CYS A 34 -23.429 6.766 5.246 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -24.258 6.196 2.943 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -25.500 6.061 4.171 1.00 12.00 H new ATOM 532 N LYS A 35 -21.971 7.757 3.249 1.00 12.00 N ATOM 533 CA LYS A 35 -20.939 8.535 2.491 1.00 12.00 C ATOM 534 C LYS A 35 -21.520 8.997 1.155 1.00 12.00 C ATOM 535 O LYS A 35 -22.377 8.343 0.584 1.00 12.00 O ATOM 536 CB LYS A 35 -19.708 7.659 2.250 1.00 12.00 C ATOM 537 CG LYS A 35 -18.761 7.789 3.444 1.00 12.00 C ATOM 538 CD LYS A 35 -17.560 6.861 3.256 1.00 12.00 C ATOM 539 CE LYS A 35 -16.782 6.760 4.571 1.00 12.00 C ATOM 540 NZ LYS A 35 -15.770 7.853 4.639 1.00 12.00 N ATOM 0 H LYS A 35 -21.846 6.745 3.227 1.00 12.00 H new ATOM 0 HA LYS A 35 -20.646 9.409 3.073 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -20.006 6.619 2.118 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.202 7.964 1.334 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -18.423 8.821 3.541 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -19.286 7.537 4.365 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.896 5.872 2.943 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -16.912 7.242 2.466 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -17.466 6.831 5.416 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -16.290 5.790 4.640 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.243 7.783 5.533 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -15.110 7.765 3.840 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -16.250 8.774 4.592 1.00 12.00 H new ATOM 554 N ARG A 36 -21.054 10.127 0.666 1.00 12.00 N ATOM 555 CA ARG A 36 -21.558 10.676 -0.635 1.00 12.00 C ATOM 556 C ARG A 36 -20.937 9.911 -1.804 1.00 12.00 C ATOM 557 O ARG A 36 -21.494 9.890 -2.889 1.00 12.00 O ATOM 558 CB ARG A 36 -21.179 12.155 -0.743 1.00 12.00 C ATOM 559 CG ARG A 36 -22.339 13.024 -0.254 1.00 12.00 C ATOM 560 CD ARG A 36 -22.084 14.477 -0.659 1.00 12.00 C ATOM 561 NE ARG A 36 -22.706 15.392 0.339 1.00 12.00 N ATOM 562 CZ ARG A 36 -22.406 16.662 0.331 1.00 12.00 C ATOM 563 NH1 ARG A 36 -21.157 17.037 0.268 1.00 12.00 N ATOM 564 NH2 ARG A 36 -23.353 17.559 0.390 1.00 12.00 N ATOM 0 H ARG A 36 -20.339 10.696 1.119 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.642 10.567 -0.671 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -20.287 12.356 -0.150 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -20.937 12.403 -1.776 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -23.278 12.674 -0.683 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -22.435 12.947 0.829 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -21.012 14.665 -0.721 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -22.498 14.667 -1.649 1.00 12.00 H new ATOM 0 HE ARG A 36 -23.365 15.027 1.027 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -20.416 16.337 0.225 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -20.922 18.030 0.262 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -24.329 17.267 0.442 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -23.117 18.551 0.384 1.00 12.00 H new ATOM 578 N VAL A 37 -19.787 9.297 -1.598 1.00 12.00 N ATOM 579 CA VAL A 37 -19.123 8.540 -2.711 1.00 12.00 C ATOM 580 C VAL A 37 -18.302 7.379 -2.147 1.00 12.00 C ATOM 581 O VAL A 37 -17.202 7.572 -1.652 1.00 12.00 O ATOM 582 CB VAL A 37 -18.197 9.478 -3.494 1.00 12.00 C ATOM 583 CG1 VAL A 37 -17.704 8.770 -4.759 1.00 12.00 C ATOM 584 CG2 VAL A 37 -18.958 10.748 -3.886 1.00 12.00 C ATOM 0 H VAL A 37 -19.285 9.289 -0.710 1.00 12.00 H new ATOM 0 HA VAL A 37 -19.894 8.146 -3.373 1.00 12.00 H new ATOM 0 HB VAL A 37 -17.345 9.746 -2.869 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -17.046 9.437 -5.316 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.158 7.869 -4.482 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -18.557 8.500 -5.381 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -18.296 11.412 -4.442 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -19.813 10.483 -4.508 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -19.308 11.255 -2.987 1.00 12.00 H new ATOM 594 N ASN A 38 -18.822 6.175 -2.259 1.00 12.00 N ATOM 595 CA ASN A 38 -18.073 4.972 -1.781 1.00 12.00 C ATOM 596 C ASN A 38 -17.291 4.442 -2.985 1.00 12.00 C ATOM 597 O ASN A 38 -17.680 3.478 -3.633 1.00 12.00 O ATOM 598 CB ASN A 38 -19.046 3.901 -1.239 1.00 12.00 C ATOM 599 CG ASN A 38 -20.112 4.536 -0.327 1.00 12.00 C ATOM 600 OD1 ASN A 38 -20.029 5.697 0.037 1.00 12.00 O ATOM 601 ND2 ASN A 38 -21.123 3.809 0.065 1.00 12.00 N ATOM 0 H ASN A 38 -19.737 5.977 -2.663 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.401 5.227 -0.961 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.531 3.391 -2.071 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.489 3.146 -0.683 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -21.837 4.213 0.672 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -21.199 2.837 -0.235 1.00 12.00 H new ATOM 608 N THR A 39 -16.208 5.115 -3.309 1.00 12.00 N ATOM 609 CA THR A 39 -15.388 4.728 -4.492 1.00 12.00 C ATOM 610 C THR A 39 -14.490 3.539 -4.160 1.00 12.00 C ATOM 611 O THR A 39 -13.603 3.633 -3.327 1.00 12.00 O ATOM 612 CB THR A 39 -14.517 5.913 -4.920 1.00 12.00 C ATOM 613 OG1 THR A 39 -15.330 7.069 -5.070 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.825 5.596 -6.251 1.00 12.00 C ATOM 0 H THR A 39 -15.859 5.924 -2.795 1.00 12.00 H new ATOM 0 HA THR A 39 -16.060 4.446 -5.303 1.00 12.00 H new ATOM 0 HB THR A 39 -13.760 6.096 -4.158 1.00 12.00 H new ATOM 0 HG1 THR A 39 -15.130 7.705 -4.352 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.207 6.442 -6.550 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.198 4.712 -6.134 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.578 5.408 -7.017 1.00 12.00 H new ATOM 622 N PHE A 40 -14.713 2.435 -4.830 1.00 12.00 N ATOM 623 CA PHE A 40 -13.886 1.207 -4.617 1.00 12.00 C ATOM 624 C PHE A 40 -12.969 1.033 -5.835 1.00 12.00 C ATOM 625 O PHE A 40 -13.214 1.630 -6.869 1.00 12.00 O ATOM 626 CB PHE A 40 -14.828 -0.001 -4.513 1.00 12.00 C ATOM 627 CG PHE A 40 -15.903 0.255 -3.476 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.565 0.743 -2.204 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.243 0.000 -3.793 1.00 12.00 C ATOM 630 CE1 PHE A 40 -16.568 0.973 -1.255 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.244 0.230 -2.842 1.00 12.00 C ATOM 632 CZ PHE A 40 -17.908 0.717 -1.574 1.00 12.00 C ATOM 0 H PHE A 40 -15.448 2.332 -5.529 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.290 1.290 -3.708 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.288 -0.196 -5.482 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.260 -0.891 -4.245 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.532 0.941 -1.958 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.504 -0.374 -4.772 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.309 1.348 -0.276 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.277 0.031 -3.087 1.00 12.00 H new ATOM 0 HZ PHE A 40 -18.681 0.895 -0.842 1.00 12.00 H new ATOM 642 N ILE A 41 -11.929 0.221 -5.735 1.00 12.00 N ATOM 643 CA ILE A 41 -11.024 -0.001 -6.911 1.00 12.00 C ATOM 644 C ILE A 41 -10.921 -1.508 -7.147 1.00 12.00 C ATOM 645 O ILE A 41 -10.579 -2.257 -6.245 1.00 12.00 O ATOM 646 CB ILE A 41 -9.630 0.596 -6.657 1.00 12.00 C ATOM 647 CG1 ILE A 41 -9.754 1.995 -6.023 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.880 0.706 -7.987 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.549 2.934 -6.942 1.00 12.00 C ATOM 0 H ILE A 41 -11.674 -0.292 -4.891 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.434 0.496 -7.790 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.084 -0.054 -5.973 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -10.249 1.919 -5.055 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -8.762 2.408 -5.842 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.891 1.129 -7.813 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.778 -0.285 -8.430 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.436 1.352 -8.666 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.627 3.917 -6.478 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -10.038 3.024 -7.900 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -11.548 2.528 -7.101 1.00 12.00 H new ATOM 661 N ILE A 42 -11.234 -1.952 -8.348 1.00 12.00 N ATOM 662 CA ILE A 42 -11.182 -3.420 -8.661 1.00 12.00 C ATOM 663 C ILE A 42 -9.845 -3.748 -9.326 1.00 12.00 C ATOM 664 O ILE A 42 -9.666 -3.554 -10.516 1.00 12.00 O ATOM 665 CB ILE A 42 -12.360 -3.812 -9.574 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.499 -2.829 -10.744 1.00 12.00 C ATOM 667 CG2 ILE A 42 -13.656 -3.794 -8.759 1.00 12.00 C ATOM 668 CD1 ILE A 42 -13.544 -3.360 -11.729 1.00 12.00 C ATOM 0 H ILE A 42 -11.524 -1.358 -9.125 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.267 -3.993 -7.738 1.00 12.00 H new ATOM 0 HB ILE A 42 -12.170 -4.809 -9.972 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -12.796 -1.847 -10.376 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.539 -2.705 -11.246 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -14.493 -4.071 -9.400 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -13.578 -4.505 -7.937 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -13.821 -2.793 -8.359 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -13.646 -2.664 -12.562 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -13.228 -4.333 -12.105 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.503 -3.462 -11.222 1.00 12.00 H new ATOM 680 N SER A 43 -8.906 -4.238 -8.546 1.00 12.00 N ATOM 681 CA SER A 43 -7.554 -4.585 -9.087 1.00 12.00 C ATOM 682 C SER A 43 -6.711 -5.215 -7.973 1.00 12.00 C ATOM 683 O SER A 43 -6.982 -5.015 -6.801 1.00 12.00 O ATOM 684 CB SER A 43 -6.872 -3.308 -9.587 1.00 12.00 C ATOM 685 OG SER A 43 -5.582 -3.629 -10.090 1.00 12.00 O ATOM 0 H SER A 43 -9.023 -4.413 -7.548 1.00 12.00 H new ATOM 0 HA SER A 43 -7.654 -5.292 -9.910 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.474 -2.843 -10.368 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.789 -2.585 -8.775 1.00 12.00 H new ATOM 0 HG SER A 43 -5.144 -2.813 -10.412 1.00 12.00 H new ATOM 691 N SER A 44 -5.696 -5.974 -8.337 1.00 12.00 N ATOM 692 CA SER A 44 -4.819 -6.632 -7.310 1.00 12.00 C ATOM 693 C SER A 44 -4.093 -5.550 -6.496 1.00 12.00 C ATOM 694 O SER A 44 -3.478 -4.656 -7.052 1.00 12.00 O ATOM 695 CB SER A 44 -3.796 -7.537 -8.011 1.00 12.00 C ATOM 696 OG SER A 44 -3.233 -6.843 -9.117 1.00 12.00 O ATOM 0 H SER A 44 -5.438 -6.165 -9.305 1.00 12.00 H new ATOM 0 HA SER A 44 -5.428 -7.239 -6.640 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.012 -7.828 -7.312 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.277 -8.455 -8.350 1.00 12.00 H new ATOM 0 HG SER A 44 -2.937 -5.954 -8.829 1.00 12.00 H new ATOM 702 N ALA A 45 -4.176 -5.626 -5.181 1.00 12.00 N ATOM 703 CA ALA A 45 -3.510 -4.607 -4.298 1.00 12.00 C ATOM 704 C ALA A 45 -2.017 -4.495 -4.633 1.00 12.00 C ATOM 705 O ALA A 45 -1.400 -3.476 -4.366 1.00 12.00 O ATOM 706 CB ALA A 45 -3.660 -5.018 -2.824 1.00 12.00 C ATOM 0 H ALA A 45 -4.681 -6.357 -4.680 1.00 12.00 H new ATOM 0 HA ALA A 45 -3.989 -3.642 -4.467 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.176 -4.277 -2.188 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.718 -5.079 -2.569 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.193 -5.990 -2.668 1.00 12.00 H new ATOM 712 N THR A 46 -1.435 -5.539 -5.185 1.00 12.00 N ATOM 713 CA THR A 46 0.028 -5.512 -5.509 1.00 12.00 C ATOM 714 C THR A 46 0.302 -4.688 -6.776 1.00 12.00 C ATOM 715 O THR A 46 1.324 -4.024 -6.856 1.00 12.00 O ATOM 716 CB THR A 46 0.555 -6.940 -5.661 1.00 12.00 C ATOM 717 OG1 THR A 46 1.931 -6.896 -6.011 1.00 12.00 O ATOM 718 CG2 THR A 46 -0.225 -7.694 -6.741 1.00 12.00 C ATOM 0 H THR A 46 -1.913 -6.408 -5.424 1.00 12.00 H new ATOM 0 HA THR A 46 0.555 -5.029 -4.686 1.00 12.00 H new ATOM 0 HB THR A 46 0.428 -7.464 -4.714 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.273 -7.809 -6.108 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.167 -8.707 -6.832 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.279 -7.736 -6.466 1.00 12.00 H new ATOM 0 HG23 THR A 46 -0.119 -7.177 -7.695 1.00 12.00 H new ATOM 726 N THR A 47 -0.597 -4.696 -7.750 1.00 12.00 N ATOM 727 CA THR A 47 -0.378 -3.875 -8.989 1.00 12.00 C ATOM 728 C THR A 47 -0.403 -2.413 -8.567 1.00 12.00 C ATOM 729 O THR A 47 0.403 -1.608 -9.015 1.00 12.00 O ATOM 730 CB THR A 47 -1.476 -4.143 -10.027 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.711 -4.395 -9.373 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.088 -5.353 -10.876 1.00 12.00 C ATOM 0 H THR A 47 -1.464 -5.233 -7.735 1.00 12.00 H new ATOM 0 HA THR A 47 0.574 -4.135 -9.451 1.00 12.00 H new ATOM 0 HB THR A 47 -1.586 -3.268 -10.667 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.724 -3.933 -8.509 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.867 -5.545 -11.614 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.146 -5.152 -11.387 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.974 -6.226 -10.234 1.00 12.00 H new ATOM 740 N VAL A 48 -1.304 -2.088 -7.665 1.00 12.00 N ATOM 741 CA VAL A 48 -1.390 -0.696 -7.135 1.00 12.00 C ATOM 742 C VAL A 48 -0.126 -0.430 -6.306 1.00 12.00 C ATOM 743 O VAL A 48 0.365 0.684 -6.241 1.00 12.00 O ATOM 744 CB VAL A 48 -2.624 -0.556 -6.234 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.799 0.911 -5.843 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.869 -1.035 -6.988 1.00 12.00 C ATOM 0 H VAL A 48 -1.987 -2.737 -7.274 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.472 0.015 -7.957 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.490 -1.161 -5.337 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.675 1.015 -5.203 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.914 1.252 -5.306 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.933 1.514 -6.741 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.744 -0.935 -6.346 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -4.006 -0.431 -7.885 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.744 -2.080 -7.270 1.00 12.00 H new ATOM 756 N LYS A 49 0.397 -1.469 -5.677 1.00 12.00 N ATOM 757 CA LYS A 49 1.631 -1.338 -4.843 1.00 12.00 C ATOM 758 C LYS A 49 2.835 -1.019 -5.744 1.00 12.00 C ATOM 759 O LYS A 49 3.822 -0.468 -5.283 1.00 12.00 O ATOM 760 CB LYS A 49 1.877 -2.658 -4.097 1.00 12.00 C ATOM 761 CG LYS A 49 3.054 -2.502 -3.128 1.00 12.00 C ATOM 762 CD LYS A 49 3.638 -3.881 -2.801 1.00 12.00 C ATOM 763 CE LYS A 49 4.875 -4.137 -3.667 1.00 12.00 C ATOM 764 NZ LYS A 49 5.580 -5.355 -3.174 1.00 12.00 N ATOM 0 H LYS A 49 0.009 -2.412 -5.712 1.00 12.00 H new ATOM 0 HA LYS A 49 1.502 -0.530 -4.123 1.00 12.00 H new ATOM 0 HB2 LYS A 49 0.980 -2.948 -3.549 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.086 -3.455 -4.811 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.821 -1.867 -3.571 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.722 -2.010 -2.213 1.00 12.00 H new ATOM 0 HD2 LYS A 49 3.904 -3.933 -1.745 1.00 12.00 H new ATOM 0 HD3 LYS A 49 2.891 -4.654 -2.979 1.00 12.00 H new ATOM 0 HE2 LYS A 49 4.582 -4.269 -4.709 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.543 -3.276 -3.630 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.421 -5.531 -3.761 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 5.871 -5.212 -2.186 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 4.941 -6.173 -3.231 1.00 12.00 H new ATOM 778 N ALA A 50 2.757 -1.362 -7.021 1.00 12.00 N ATOM 779 CA ALA A 50 3.894 -1.086 -7.956 1.00 12.00 C ATOM 780 C ALA A 50 3.865 0.386 -8.389 1.00 12.00 C ATOM 781 O ALA A 50 4.905 1.019 -8.480 1.00 12.00 O ATOM 782 CB ALA A 50 3.797 -2.007 -9.184 1.00 12.00 C ATOM 0 H ALA A 50 1.952 -1.820 -7.448 1.00 12.00 H new ATOM 0 HA ALA A 50 4.836 -1.283 -7.445 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.627 -1.801 -9.860 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.841 -3.048 -8.863 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.855 -1.826 -9.701 1.00 12.00 H new ATOM 788 N ILE A 51 2.690 0.935 -8.650 1.00 12.00 N ATOM 789 CA ILE A 51 2.594 2.371 -9.074 1.00 12.00 C ATOM 790 C ILE A 51 2.950 3.306 -7.908 1.00 12.00 C ATOM 791 O ILE A 51 3.292 4.458 -8.126 1.00 12.00 O ATOM 792 CB ILE A 51 1.174 2.674 -9.546 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.175 2.256 -8.465 1.00 12.00 C ATOM 794 CG2 ILE A 51 0.897 1.899 -10.832 1.00 12.00 C ATOM 795 CD1 ILE A 51 -1.180 2.912 -8.734 1.00 12.00 C ATOM 0 H ILE A 51 1.797 0.446 -8.586 1.00 12.00 H new ATOM 0 HA ILE A 51 3.299 2.538 -9.888 1.00 12.00 H new ATOM 0 HB ILE A 51 1.070 3.742 -9.735 1.00 12.00 H new ATOM 0 HG12 ILE A 51 0.069 1.171 -8.454 1.00 12.00 H new ATOM 0 HG13 ILE A 51 0.544 2.550 -7.482 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -0.116 2.112 -11.174 1.00 12.00 H new ATOM 0 HG22 ILE A 51 1.610 2.201 -11.599 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.999 0.831 -10.642 1.00 12.00 H new ATOM 0 HD11 ILE A 51 -1.889 2.612 -7.962 1.00 12.00 H new ATOM 0 HD12 ILE A 51 -1.068 3.996 -8.722 1.00 12.00 H new ATOM 0 HD13 ILE A 51 -1.550 2.596 -9.709 1.00 12.00 H new ATOM 807 N CYS A 52 2.868 2.824 -6.681 1.00 12.00 N ATOM 808 CA CYS A 52 3.196 3.678 -5.494 1.00 12.00 C ATOM 809 C CYS A 52 4.597 3.320 -4.964 1.00 12.00 C ATOM 810 O CYS A 52 4.896 3.529 -3.797 1.00 12.00 O ATOM 811 CB CYS A 52 2.145 3.440 -4.397 1.00 12.00 C ATOM 812 SG CYS A 52 1.620 5.024 -3.695 1.00 12.00 S ATOM 0 H CYS A 52 2.586 1.870 -6.456 1.00 12.00 H new ATOM 0 HA CYS A 52 3.188 4.728 -5.785 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.286 2.913 -4.812 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.560 2.805 -3.614 1.00 12.00 H new ATOM 817 N THR A 53 5.454 2.787 -5.817 1.00 12.00 N ATOM 818 CA THR A 53 6.842 2.411 -5.386 1.00 12.00 C ATOM 819 C THR A 53 7.812 3.541 -5.738 1.00 12.00 C ATOM 820 O THR A 53 8.034 3.829 -6.903 1.00 12.00 O ATOM 821 CB THR A 53 7.277 1.128 -6.105 1.00 12.00 C ATOM 822 OG1 THR A 53 6.234 0.166 -6.028 1.00 12.00 O ATOM 823 CG2 THR A 53 8.540 0.570 -5.443 1.00 12.00 C ATOM 0 H THR A 53 5.246 2.597 -6.797 1.00 12.00 H new ATOM 0 HA THR A 53 6.850 2.245 -4.309 1.00 12.00 H new ATOM 0 HB THR A 53 7.488 1.352 -7.151 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.604 0.422 -5.323 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.847 -0.342 -5.956 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.340 1.308 -5.505 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.334 0.346 -4.396 1.00 12.00 H new ATOM 831 N GLY A 54 8.385 4.180 -4.735 1.00 12.00 N ATOM 832 CA GLY A 54 9.348 5.302 -4.986 1.00 12.00 C ATOM 833 C GLY A 54 10.216 5.540 -3.743 1.00 12.00 C ATOM 834 O GLY A 54 11.427 5.391 -3.795 1.00 12.00 O ATOM 0 H GLY A 54 8.223 3.968 -3.750 1.00 12.00 H new ATOM 0 HA2 GLY A 54 9.981 5.064 -5.841 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.802 6.211 -5.237 1.00 12.00 H new ATOM 838 N VAL A 55 9.605 5.918 -2.635 1.00 12.00 N ATOM 839 CA VAL A 55 10.375 6.182 -1.376 1.00 12.00 C ATOM 840 C VAL A 55 9.441 5.922 -0.163 1.00 12.00 C ATOM 841 O VAL A 55 8.367 5.363 -0.332 1.00 12.00 O ATOM 842 CB VAL A 55 10.912 7.639 -1.444 1.00 12.00 C ATOM 843 CG1 VAL A 55 9.828 8.663 -1.084 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.114 7.806 -0.506 1.00 12.00 C ATOM 0 H VAL A 55 8.597 6.055 -2.554 1.00 12.00 H new ATOM 0 HA VAL A 55 11.233 5.520 -1.262 1.00 12.00 H new ATOM 0 HB VAL A 55 11.222 7.825 -2.472 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.244 9.669 -1.143 1.00 12.00 H new ATOM 0 HG12 VAL A 55 8.996 8.572 -1.782 1.00 12.00 H new ATOM 0 HG13 VAL A 55 9.473 8.476 -0.070 1.00 12.00 H new ATOM 0 HG21 VAL A 55 12.481 8.831 -0.563 1.00 12.00 H new ATOM 0 HG22 VAL A 55 11.810 7.586 0.517 1.00 12.00 H new ATOM 0 HG23 VAL A 55 12.907 7.120 -0.805 1.00 12.00 H new ATOM 854 N ILE A 56 9.834 6.293 1.051 1.00 12.00 N ATOM 855 CA ILE A 56 8.963 6.040 2.260 1.00 12.00 C ATOM 856 C ILE A 56 7.985 7.223 2.492 1.00 12.00 C ATOM 857 O ILE A 56 7.550 7.464 3.602 1.00 12.00 O ATOM 858 CB ILE A 56 9.878 5.834 3.487 1.00 12.00 C ATOM 859 CG1 ILE A 56 9.051 5.348 4.684 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.589 7.142 3.852 1.00 12.00 C ATOM 861 CD1 ILE A 56 9.979 4.739 5.737 1.00 12.00 C ATOM 0 H ILE A 56 10.719 6.759 1.252 1.00 12.00 H new ATOM 0 HA ILE A 56 8.359 5.147 2.099 1.00 12.00 H new ATOM 0 HB ILE A 56 10.627 5.083 3.236 1.00 12.00 H new ATOM 0 HG12 ILE A 56 8.493 6.179 5.114 1.00 12.00 H new ATOM 0 HG13 ILE A 56 8.320 4.608 4.357 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.229 6.978 4.719 1.00 12.00 H new ATOM 0 HG22 ILE A 56 11.196 7.473 3.010 1.00 12.00 H new ATOM 0 HG23 ILE A 56 9.848 7.906 4.088 1.00 12.00 H new ATOM 0 HD11 ILE A 56 9.389 4.395 6.586 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.518 3.896 5.304 1.00 12.00 H new ATOM 0 HD13 ILE A 56 10.692 5.492 6.072 1.00 12.00 H new ATOM 873 N ASN A 57 7.643 7.936 1.437 1.00 12.00 N ATOM 874 CA ASN A 57 6.696 9.112 1.515 1.00 12.00 C ATOM 875 C ASN A 57 6.718 9.803 0.147 1.00 12.00 C ATOM 876 O ASN A 57 7.722 10.389 -0.226 1.00 12.00 O ATOM 877 CB ASN A 57 7.170 10.118 2.566 1.00 12.00 C ATOM 878 CG ASN A 57 5.984 10.970 3.027 1.00 12.00 C ATOM 879 OD1 ASN A 57 5.273 10.598 3.940 1.00 12.00 O ATOM 880 ND2 ASN A 57 5.739 12.104 2.430 1.00 12.00 N ATOM 0 H ASN A 57 7.990 7.748 0.497 1.00 12.00 H new ATOM 0 HA ASN A 57 5.699 8.765 1.785 1.00 12.00 H new ATOM 0 HB2 ASN A 57 7.607 9.594 3.416 1.00 12.00 H new ATOM 0 HB3 ASN A 57 7.950 10.756 2.149 1.00 12.00 H new ATOM 0 HD21 ASN A 57 4.951 12.678 2.729 1.00 12.00 H new ATOM 0 HD22 ASN A 57 6.336 12.416 1.664 1.00 12.00 H new ATOM 887 N MET A 58 5.640 9.721 -0.607 1.00 12.00 N ATOM 888 CA MET A 58 5.614 10.352 -1.970 1.00 12.00 C ATOM 889 C MET A 58 4.173 10.522 -2.460 1.00 12.00 C ATOM 890 O MET A 58 3.223 10.271 -1.738 1.00 12.00 O ATOM 891 CB MET A 58 6.373 9.441 -2.944 1.00 12.00 C ATOM 892 CG MET A 58 7.214 10.285 -3.903 1.00 12.00 C ATOM 893 SD MET A 58 7.239 9.492 -5.529 1.00 12.00 S ATOM 894 CE MET A 58 7.046 10.996 -6.520 1.00 12.00 C ATOM 0 H MET A 58 4.779 9.245 -0.336 1.00 12.00 H new ATOM 0 HA MET A 58 6.081 11.335 -1.918 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.016 8.757 -2.389 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.668 8.830 -3.507 1.00 12.00 H new ATOM 0 HG2 MET A 58 6.799 11.290 -3.982 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.229 10.389 -3.520 1.00 12.00 H new ATOM 0 HE1 MET A 58 7.035 10.736 -7.578 1.00 12.00 H new ATOM 0 HE2 MET A 58 6.109 11.487 -6.258 1.00 12.00 H new ATOM 0 HE3 MET A 58 7.878 11.672 -6.321 1.00 12.00 H new ATOM 904 N ASN A 59 4.031 10.924 -3.704 1.00 12.00 N ATOM 905 CA ASN A 59 2.682 11.103 -4.326 1.00 12.00 C ATOM 906 C ASN A 59 2.770 10.658 -5.790 1.00 12.00 C ATOM 907 O ASN A 59 3.473 11.264 -6.583 1.00 12.00 O ATOM 908 CB ASN A 59 2.270 12.579 -4.250 1.00 12.00 C ATOM 909 CG ASN A 59 1.316 12.788 -3.069 1.00 12.00 C ATOM 910 OD1 ASN A 59 1.572 13.599 -2.202 1.00 12.00 O ATOM 911 ND2 ASN A 59 0.217 12.085 -2.999 1.00 12.00 N ATOM 0 H ASN A 59 4.812 11.139 -4.324 1.00 12.00 H new ATOM 0 HA ASN A 59 1.937 10.508 -3.798 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.153 13.208 -4.133 1.00 12.00 H new ATOM 0 HB3 ASN A 59 1.786 12.880 -5.179 1.00 12.00 H new ATOM 0 HD21 ASN A 59 -0.424 12.218 -2.217 1.00 12.00 H new ATOM 0 HD22 ASN A 59 0.000 11.403 -3.726 1.00 12.00 H new ATOM 918 N VAL A 60 2.070 9.597 -6.143 1.00 12.00 N ATOM 919 CA VAL A 60 2.102 9.075 -7.550 1.00 12.00 C ATOM 920 C VAL A 60 0.665 8.992 -8.070 1.00 12.00 C ATOM 921 O VAL A 60 -0.276 9.161 -7.308 1.00 12.00 O ATOM 922 CB VAL A 60 2.744 7.677 -7.564 1.00 12.00 C ATOM 923 CG1 VAL A 60 3.045 7.255 -9.004 1.00 12.00 C ATOM 924 CG2 VAL A 60 4.055 7.700 -6.770 1.00 12.00 C ATOM 0 H VAL A 60 1.473 9.068 -5.507 1.00 12.00 H new ATOM 0 HA VAL A 60 2.688 9.739 -8.185 1.00 12.00 H new ATOM 0 HB VAL A 60 2.050 6.969 -7.112 1.00 12.00 H new ATOM 0 HG11 VAL A 60 3.499 6.264 -9.005 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.118 7.230 -9.577 1.00 12.00 H new ATOM 0 HG13 VAL A 60 3.732 7.970 -9.457 1.00 12.00 H new ATOM 0 HG21 VAL A 60 4.506 6.708 -6.783 1.00 12.00 H new ATOM 0 HG22 VAL A 60 4.741 8.416 -7.222 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.851 7.993 -5.740 1.00 12.00 H new ATOM 934 N LEU A 61 0.482 8.755 -9.356 1.00 12.00 N ATOM 935 CA LEU A 61 -0.909 8.685 -9.909 1.00 12.00 C ATOM 936 C LEU A 61 -1.033 7.646 -11.026 1.00 12.00 C ATOM 937 O LEU A 61 -0.389 7.743 -12.057 1.00 12.00 O ATOM 938 CB LEU A 61 -1.310 10.065 -10.453 1.00 12.00 C ATOM 939 CG LEU A 61 -0.194 10.627 -11.345 1.00 12.00 C ATOM 940 CD1 LEU A 61 -0.802 11.533 -12.420 1.00 12.00 C ATOM 941 CD2 LEU A 61 0.795 11.431 -10.490 1.00 12.00 C ATOM 0 H LEU A 61 1.229 8.609 -10.035 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.573 8.384 -9.099 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -2.236 9.985 -11.023 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -1.503 10.748 -9.626 1.00 12.00 H new ATOM 0 HG LEU A 61 0.333 9.803 -11.825 1.00 12.00 H new ATOM 0 HD11 LEU A 61 -0.008 11.931 -13.052 1.00 12.00 H new ATOM 0 HD12 LEU A 61 -1.498 10.957 -13.030 1.00 12.00 H new ATOM 0 HD13 LEU A 61 -1.334 12.357 -11.944 1.00 12.00 H new ATOM 0 HD21 LEU A 61 1.586 11.829 -11.126 1.00 12.00 H new ATOM 0 HD22 LEU A 61 0.271 12.254 -10.005 1.00 12.00 H new ATOM 0 HD23 LEU A 61 1.231 10.782 -9.731 1.00 12.00 H new ATOM 953 N SER A 62 -1.903 6.670 -10.829 1.00 12.00 N ATOM 954 CA SER A 62 -2.152 5.620 -11.877 1.00 12.00 C ATOM 955 C SER A 62 -2.636 6.337 -13.145 1.00 12.00 C ATOM 956 O SER A 62 -3.805 6.682 -13.257 1.00 12.00 O ATOM 957 CB SER A 62 -3.234 4.632 -11.405 1.00 12.00 C ATOM 958 OG SER A 62 -4.057 5.231 -10.410 1.00 12.00 O ATOM 0 H SER A 62 -2.454 6.558 -9.978 1.00 12.00 H new ATOM 0 HA SER A 62 -1.237 5.059 -12.067 1.00 12.00 H new ATOM 0 HB2 SER A 62 -3.845 4.321 -12.252 1.00 12.00 H new ATOM 0 HB3 SER A 62 -2.764 3.734 -11.004 1.00 12.00 H new ATOM 0 HG SER A 62 -4.128 4.630 -9.639 1.00 12.00 H new ATOM 964 N THR A 63 -1.732 6.589 -14.077 1.00 12.00 N ATOM 965 CA THR A 63 -2.098 7.309 -15.339 1.00 12.00 C ATOM 966 C THR A 63 -2.735 6.331 -16.323 1.00 12.00 C ATOM 967 O THR A 63 -3.695 6.665 -16.999 1.00 12.00 O ATOM 968 CB THR A 63 -0.842 7.928 -15.977 1.00 12.00 C ATOM 969 OG1 THR A 63 0.286 7.094 -15.734 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.594 9.318 -15.382 1.00 12.00 C ATOM 0 H THR A 63 -0.750 6.321 -14.010 1.00 12.00 H new ATOM 0 HA THR A 63 -2.807 8.102 -15.100 1.00 12.00 H new ATOM 0 HB THR A 63 -0.994 8.017 -17.053 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.082 7.493 -16.144 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.296 9.754 -15.835 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.454 9.958 -15.581 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.448 9.232 -14.305 1.00 12.00 H new ATOM 978 N THR A 64 -2.203 5.128 -16.404 1.00 12.00 N ATOM 979 CA THR A 64 -2.755 4.101 -17.345 1.00 12.00 C ATOM 980 C THR A 64 -4.249 3.876 -17.048 1.00 12.00 C ATOM 981 O THR A 64 -5.086 4.580 -17.588 1.00 12.00 O ATOM 982 CB THR A 64 -1.966 2.787 -17.212 1.00 12.00 C ATOM 983 OG1 THR A 64 -1.544 2.611 -15.865 1.00 12.00 O ATOM 984 CG2 THR A 64 -0.741 2.828 -18.129 1.00 12.00 C ATOM 0 H THR A 64 -1.404 4.815 -15.853 1.00 12.00 H new ATOM 0 HA THR A 64 -2.654 4.457 -18.370 1.00 12.00 H new ATOM 0 HB THR A 64 -2.608 1.954 -17.499 1.00 12.00 H new ATOM 0 HG1 THR A 64 -1.044 1.772 -15.786 1.00 12.00 H new ATOM 0 HG21 THR A 64 -0.183 1.896 -18.033 1.00 12.00 H new ATOM 0 HG22 THR A 64 -1.064 2.953 -19.162 1.00 12.00 H new ATOM 0 HG23 THR A 64 -0.102 3.664 -17.845 1.00 12.00 H new ATOM 992 N ARG A 65 -4.592 2.913 -16.199 1.00 12.00 N ATOM 993 CA ARG A 65 -6.036 2.653 -15.875 1.00 12.00 C ATOM 994 C ARG A 65 -6.158 1.460 -14.915 1.00 12.00 C ATOM 995 O ARG A 65 -6.041 0.314 -15.325 1.00 12.00 O ATOM 996 CB ARG A 65 -6.802 2.337 -17.168 1.00 12.00 C ATOM 997 CG ARG A 65 -6.143 1.158 -17.890 1.00 12.00 C ATOM 998 CD ARG A 65 -6.173 1.395 -19.399 1.00 12.00 C ATOM 999 NE ARG A 65 -5.963 0.098 -20.101 1.00 12.00 N ATOM 1000 CZ ARG A 65 -4.858 -0.113 -20.760 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -4.760 0.270 -22.002 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -3.853 -0.711 -20.179 1.00 12.00 N ATOM 0 H ARG A 65 -3.929 2.302 -15.722 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.456 3.540 -15.401 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.840 2.099 -16.937 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.813 3.212 -17.818 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -5.114 1.041 -17.551 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.665 0.233 -17.647 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -7.128 1.831 -19.692 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -5.397 2.106 -19.683 1.00 12.00 H new ATOM 0 HE ARG A 65 -6.683 -0.624 -20.066 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -5.547 0.734 -22.456 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -3.897 0.106 -22.520 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -3.932 -1.014 -19.208 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -2.989 -0.875 -20.696 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.398 1.722 -13.645 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.539 0.598 -12.654 1.00 12.00 C ATOM 1018 C PHE A 66 -8.041 0.302 -12.419 1.00 12.00 C ATOM 1019 O PHE A 66 -8.474 0.114 -11.300 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.828 0.985 -11.341 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.332 0.792 -11.517 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.600 1.679 -12.323 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.678 -0.287 -10.898 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.225 1.488 -12.506 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.305 -0.476 -11.090 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.580 0.409 -11.893 1.00 12.00 C ATOM 0 H PHE A 66 -6.502 2.659 -13.255 1.00 12.00 H new ATOM 0 HA PHE A 66 -6.073 -0.308 -13.041 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.047 2.022 -11.085 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.193 0.370 -10.519 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.098 2.509 -12.802 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.235 -0.970 -10.274 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.662 2.174 -13.121 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.804 -1.308 -10.617 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.521 0.259 -12.040 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.814 0.251 -13.506 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.310 -0.039 -13.485 1.00 12.00 C ATOM 1038 C GLN A 67 -10.975 0.157 -12.107 1.00 12.00 C ATOM 1039 O GLN A 67 -10.782 -0.648 -11.208 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.526 -1.484 -13.939 1.00 12.00 C ATOM 1041 CG GLN A 67 -10.166 -1.611 -15.424 1.00 12.00 C ATOM 1042 CD GLN A 67 -9.442 -2.937 -15.670 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -8.229 -2.980 -15.728 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -10.140 -4.029 -15.821 1.00 12.00 N ATOM 0 H GLN A 67 -8.450 0.406 -14.446 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.780 0.681 -14.154 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.910 -2.159 -13.345 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.564 -1.776 -13.779 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -11.069 -1.561 -16.032 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -9.531 -0.778 -15.726 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -11.158 -3.994 -15.773 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -9.667 -4.917 -15.987 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.765 1.213 -11.938 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.434 1.439 -10.614 1.00 12.00 C ATOM 1055 C LEU A 68 -13.918 1.031 -10.633 1.00 12.00 C ATOM 1056 O LEU A 68 -14.585 1.059 -11.657 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.320 2.919 -10.174 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.559 3.914 -11.329 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.840 3.587 -12.100 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.706 5.317 -10.732 1.00 12.00 C ATOM 0 H LEU A 68 -11.967 1.912 -12.653 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.912 0.805 -9.897 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -13.042 3.113 -9.380 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.329 3.091 -9.753 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.716 3.852 -12.017 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.974 4.309 -12.905 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.766 2.584 -12.521 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.694 3.634 -11.424 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.876 6.037 -11.532 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.551 5.333 -10.044 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.795 5.581 -10.194 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.421 0.690 -9.469 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.866 0.320 -9.295 1.00 12.00 C ATOM 1074 C ASN A 69 -16.449 1.363 -8.335 1.00 12.00 C ATOM 1075 O ASN A 69 -16.299 1.238 -7.129 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.989 -1.078 -8.668 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.356 -1.674 -9.007 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -17.663 -1.906 -10.161 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -18.198 -1.930 -8.043 1.00 12.00 N ATOM 0 H ASN A 69 -13.875 0.652 -8.608 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.389 0.302 -10.251 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.196 -1.726 -9.041 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.867 -1.015 -7.587 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -19.114 -2.325 -8.257 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -17.940 -1.735 -7.076 1.00 12.00 H new ATOM 1086 N THR A 70 -17.055 2.419 -8.852 1.00 12.00 N ATOM 1087 CA THR A 70 -17.572 3.504 -7.944 1.00 12.00 C ATOM 1088 C THR A 70 -19.073 3.412 -7.711 1.00 12.00 C ATOM 1089 O THR A 70 -19.868 3.438 -8.635 1.00 12.00 O ATOM 1090 CB THR A 70 -17.261 4.872 -8.563 1.00 12.00 C ATOM 1091 OG1 THR A 70 -15.914 4.892 -9.010 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.469 5.974 -7.517 1.00 12.00 C ATOM 0 H THR A 70 -17.211 2.573 -9.848 1.00 12.00 H new ATOM 0 HA THR A 70 -17.076 3.378 -6.982 1.00 12.00 H new ATOM 0 HB THR A 70 -17.929 5.046 -9.406 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.714 5.765 -9.407 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.247 6.944 -7.961 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.504 5.960 -7.175 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.804 5.802 -6.670 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.446 3.393 -6.452 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.888 3.401 -6.065 1.00 12.00 C ATOM 1102 C CYS A 71 -21.134 4.807 -5.529 1.00 12.00 C ATOM 1103 O CYS A 71 -20.678 5.136 -4.448 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.166 2.364 -4.966 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.929 0.693 -5.624 1.00 12.00 S ATOM 0 H CYS A 71 -18.797 3.372 -5.665 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.536 3.150 -6.905 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.499 2.530 -4.120 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.185 2.478 -4.595 1.00 12.00 H new ATOM 1110 N THR A 72 -21.792 5.654 -6.292 1.00 12.00 N ATOM 1111 CA THR A 72 -22.001 7.071 -5.842 1.00 12.00 C ATOM 1112 C THR A 72 -23.414 7.288 -5.288 1.00 12.00 C ATOM 1113 O THR A 72 -24.397 6.935 -5.917 1.00 12.00 O ATOM 1114 CB THR A 72 -21.777 8.008 -7.036 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.591 7.626 -7.718 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.641 9.450 -6.544 1.00 12.00 C ATOM 0 H THR A 72 -22.191 5.426 -7.202 1.00 12.00 H new ATOM 0 HA THR A 72 -21.291 7.285 -5.043 1.00 12.00 H new ATOM 0 HB THR A 72 -22.628 7.939 -7.714 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.447 8.222 -8.482 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.482 10.112 -7.396 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.551 9.744 -6.021 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.792 9.524 -5.864 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.509 7.904 -4.125 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.839 8.201 -3.506 1.00 12.00 C ATOM 1126 C ARG A 73 -25.592 9.160 -4.433 1.00 12.00 C ATOM 1127 O ARG A 73 -25.252 10.329 -4.520 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.616 8.869 -2.146 1.00 12.00 C ATOM 1129 CG ARG A 73 -25.931 8.916 -1.365 1.00 12.00 C ATOM 1130 CD ARG A 73 -25.887 10.072 -0.360 1.00 12.00 C ATOM 1131 NE ARG A 73 -27.229 10.714 -0.282 1.00 12.00 N ATOM 1132 CZ ARG A 73 -27.570 11.626 -1.153 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -27.056 12.823 -1.079 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -28.426 11.340 -2.096 1.00 12.00 N ATOM 0 H ARG A 73 -22.708 8.215 -3.576 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.414 7.285 -3.367 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -23.866 8.317 -1.579 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.230 9.879 -2.286 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.769 9.047 -2.050 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -26.091 7.972 -0.843 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.591 9.703 0.622 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -25.139 10.804 -0.664 1.00 12.00 H new ATOM 0 HE ARG A 73 -27.882 10.441 0.452 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -26.388 13.046 -0.341 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -27.322 13.535 -1.759 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -28.829 10.405 -2.153 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -28.692 12.052 -2.776 1.00 12.00 H new ATOM 1148 N THR A 74 -26.588 8.666 -5.144 1.00 12.00 N ATOM 1149 CA THR A 74 -27.352 9.535 -6.100 1.00 12.00 C ATOM 1150 C THR A 74 -28.745 9.878 -5.535 1.00 12.00 C ATOM 1151 O THR A 74 -28.888 10.857 -4.818 1.00 12.00 O ATOM 1152 CB THR A 74 -27.471 8.815 -7.452 1.00 12.00 C ATOM 1153 OG1 THR A 74 -27.745 7.436 -7.234 1.00 12.00 O ATOM 1154 CG2 THR A 74 -26.159 8.956 -8.224 1.00 12.00 C ATOM 0 H THR A 74 -26.902 7.697 -5.101 1.00 12.00 H new ATOM 0 HA THR A 74 -26.815 10.473 -6.240 1.00 12.00 H new ATOM 0 HB THR A 74 -28.282 9.261 -8.028 1.00 12.00 H new ATOM 0 HG1 THR A 74 -27.823 6.978 -8.097 1.00 12.00 H new ATOM 0 HG21 THR A 74 -26.244 8.445 -9.183 1.00 12.00 H new ATOM 0 HG22 THR A 74 -25.948 10.012 -8.393 1.00 12.00 H new ATOM 0 HG23 THR A 74 -25.348 8.512 -7.647 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.829 5.027 1.615 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.996 5.796 0.640 1.00 12.00 C ATOM 1260 C CYS A 81 -28.865 4.987 -0.672 1.00 12.00 C ATOM 1261 O CYS A 81 -28.275 3.922 -0.642 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.598 6.004 1.233 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.702 7.115 2.658 1.00 12.00 S ATOM 0 HA CYS A 81 -29.465 6.758 0.436 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -27.174 5.046 1.536 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.931 6.424 0.480 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.400 5.489 -1.792 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.304 4.770 -3.086 1.00 12.00 C ATOM 1270 C PRO A 82 -27.899 4.927 -3.678 1.00 12.00 C ATOM 1271 O PRO A 82 -27.266 5.960 -3.516 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.356 5.449 -3.965 1.00 12.00 C ATOM 1273 CG PRO A 82 -30.600 6.847 -3.359 1.00 12.00 C ATOM 1274 CD PRO A 82 -30.133 6.783 -1.893 1.00 12.00 C ATOM 0 HA PRO A 82 -29.475 3.697 -2.994 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -30.008 5.528 -4.995 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.278 4.868 -3.984 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -30.047 7.609 -3.908 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -31.655 7.115 -3.418 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -29.487 7.625 -1.645 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.978 6.815 -1.205 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.412 3.904 -4.357 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.038 3.972 -4.963 1.00 12.00 C ATOM 1284 C TYR A 83 -26.072 3.514 -6.416 1.00 12.00 C ATOM 1285 O TYR A 83 -26.661 2.498 -6.747 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.065 3.077 -4.184 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.610 3.812 -2.956 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.481 3.975 -1.877 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.323 4.349 -2.906 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -25.062 4.675 -0.742 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.903 5.051 -1.777 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.772 5.216 -0.692 1.00 12.00 C ATOM 1293 OH TYR A 83 -23.358 5.907 0.428 1.00 12.00 O ATOM 0 H TYR A 83 -27.909 3.027 -4.516 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.701 5.008 -4.915 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.552 2.142 -3.906 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.209 2.817 -4.807 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.477 3.561 -1.919 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.652 4.221 -3.742 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.733 4.798 0.095 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.907 5.467 -1.740 1.00 12.00 H new ATOM 0 HH TYR A 83 -23.237 6.853 0.203 1.00 12.00 H new ATOM 1303 N SER A 84 -25.415 4.260 -7.270 1.00 12.00 N ATOM 1304 CA SER A 84 -25.348 3.901 -8.727 1.00 12.00 C ATOM 1305 C SER A 84 -23.949 3.362 -9.019 1.00 12.00 C ATOM 1306 O SER A 84 -22.978 4.103 -8.985 1.00 12.00 O ATOM 1307 CB SER A 84 -25.603 5.147 -9.574 1.00 12.00 C ATOM 1308 OG SER A 84 -24.704 6.172 -9.177 1.00 12.00 O ATOM 0 H SER A 84 -24.915 5.113 -7.019 1.00 12.00 H new ATOM 0 HA SER A 84 -26.101 3.151 -8.967 1.00 12.00 H new ATOM 0 HB2 SER A 84 -25.468 4.917 -10.631 1.00 12.00 H new ATOM 0 HB3 SER A 84 -26.633 5.482 -9.450 1.00 12.00 H new ATOM 0 HG SER A 84 -23.822 5.783 -9.000 1.00 12.00 H new ATOM 1314 N SER A 85 -23.844 2.075 -9.278 1.00 12.00 N ATOM 1315 CA SER A 85 -22.511 1.454 -9.550 1.00 12.00 C ATOM 1316 C SER A 85 -22.128 1.644 -11.018 1.00 12.00 C ATOM 1317 O SER A 85 -22.925 1.417 -11.913 1.00 12.00 O ATOM 1318 CB SER A 85 -22.570 -0.041 -9.232 1.00 12.00 C ATOM 1319 OG SER A 85 -23.251 -0.233 -7.998 1.00 12.00 O ATOM 0 H SER A 85 -24.632 1.428 -9.312 1.00 12.00 H new ATOM 0 HA SER A 85 -21.762 1.936 -8.922 1.00 12.00 H new ATOM 0 HB2 SER A 85 -23.085 -0.574 -10.031 1.00 12.00 H new ATOM 0 HB3 SER A 85 -21.562 -0.452 -9.172 1.00 12.00 H new ATOM 0 HG SER A 85 -22.630 -0.085 -7.255 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.900 2.050 -11.255 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.403 2.258 -12.652 1.00 12.00 C ATOM 1327 C ARG A 86 -18.905 1.955 -12.695 1.00 12.00 C ATOM 1328 O ARG A 86 -18.135 2.510 -11.927 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.644 3.709 -13.077 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.258 3.884 -14.552 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.249 4.829 -15.236 1.00 12.00 C ATOM 1332 NE ARG A 86 -20.527 5.668 -16.235 1.00 12.00 N ATOM 1333 CZ ARG A 86 -20.058 6.835 -15.888 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -20.874 7.775 -15.497 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -18.774 7.063 -15.936 1.00 12.00 N ATOM 0 H ARG A 86 -20.213 2.248 -10.527 1.00 12.00 H new ATOM 0 HA ARG A 86 -20.936 1.595 -13.333 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.692 3.972 -12.931 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -20.056 4.383 -12.454 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.247 4.284 -14.628 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -20.257 2.917 -15.055 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -22.035 4.255 -15.727 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -21.734 5.464 -14.494 1.00 12.00 H new ATOM 0 HE ARG A 86 -20.400 5.330 -17.189 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -21.878 7.597 -15.463 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -20.508 8.688 -15.226 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -18.137 6.329 -16.245 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -18.408 7.975 -15.665 1.00 12.00 H new ATOM 1349 N THR A 87 -18.494 1.074 -13.585 1.00 12.00 N ATOM 1350 CA THR A 87 -17.044 0.709 -13.696 1.00 12.00 C ATOM 1351 C THR A 87 -16.452 1.358 -14.946 1.00 12.00 C ATOM 1352 O THR A 87 -17.132 1.511 -15.948 1.00 12.00 O ATOM 1353 CB THR A 87 -16.914 -0.813 -13.797 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.674 -1.419 -12.759 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.445 -1.214 -13.657 1.00 12.00 C ATOM 0 H THR A 87 -19.107 0.591 -14.242 1.00 12.00 H new ATOM 0 HA THR A 87 -16.507 1.063 -12.816 1.00 12.00 H new ATOM 0 HB THR A 87 -17.286 -1.147 -14.765 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.205 -1.312 -11.905 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.355 -2.298 -13.729 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.863 -0.748 -14.452 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.068 -0.882 -12.690 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.192 1.741 -14.888 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.533 2.389 -16.068 1.00 12.00 C ATOM 1365 C GLU A 88 -13.031 2.558 -15.807 1.00 12.00 C ATOM 1366 O GLU A 88 -12.508 2.065 -14.823 1.00 12.00 O ATOM 1367 CB GLU A 88 -15.172 3.760 -16.314 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.076 4.611 -15.045 1.00 12.00 C ATOM 1369 CD GLU A 88 -15.698 5.984 -15.305 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -15.299 6.623 -16.265 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -16.567 6.372 -14.542 1.00 12.00 O ATOM 0 H GLU A 88 -14.593 1.631 -14.070 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.668 1.758 -16.946 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -14.669 4.263 -17.140 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -16.216 3.638 -16.604 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -15.592 4.116 -14.222 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -14.034 4.722 -14.747 1.00 12.00 H new ATOM 1378 N THR A 89 -12.345 3.259 -16.691 1.00 12.00 N ATOM 1379 CA THR A 89 -10.868 3.492 -16.536 1.00 12.00 C ATOM 1380 C THR A 89 -10.595 4.165 -15.193 1.00 12.00 C ATOM 1381 O THR A 89 -11.340 5.040 -14.781 1.00 12.00 O ATOM 1382 CB THR A 89 -10.387 4.411 -17.670 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.760 3.849 -18.920 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.865 4.557 -17.612 1.00 12.00 C ATOM 0 H THR A 89 -12.754 3.684 -17.523 1.00 12.00 H new ATOM 0 HA THR A 89 -10.339 2.540 -16.578 1.00 12.00 H new ATOM 0 HB THR A 89 -10.845 5.393 -17.556 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.456 4.434 -19.645 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.531 5.210 -18.419 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.577 4.989 -16.653 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.401 3.577 -17.723 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.541 3.760 -14.504 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.242 4.389 -13.169 1.00 12.00 C ATOM 1394 C ASN A 90 -7.950 5.212 -13.197 1.00 12.00 C ATOM 1395 O ASN A 90 -6.882 4.747 -12.823 1.00 12.00 O ATOM 1396 CB ASN A 90 -9.149 3.321 -12.072 1.00 12.00 C ATOM 1397 CG ASN A 90 -9.010 3.986 -10.691 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.657 5.091 -10.423 1.00 12.00 O flip ATOM 1399 ND2 ASN A 90 -8.304 3.487 -9.839 1.00 12.00 N flip ATOM 0 H ASN A 90 -8.888 3.035 -14.803 1.00 12.00 H new ATOM 0 HA ASN A 90 -10.068 5.065 -12.947 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -10.038 2.691 -12.092 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -8.294 2.672 -12.258 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -7.796 2.626 -10.038 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -8.219 3.929 -8.924 1.00 12.00 H new ATOM 1406 N TYR A 91 -8.074 6.463 -13.558 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.895 7.386 -13.527 1.00 12.00 C ATOM 1408 C TYR A 91 -7.006 8.096 -12.188 1.00 12.00 C ATOM 1409 O TYR A 91 -7.779 9.031 -12.046 1.00 12.00 O ATOM 1410 CB TYR A 91 -6.912 8.405 -14.685 1.00 12.00 C ATOM 1411 CG TYR A 91 -8.321 8.845 -15.010 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -9.088 8.102 -15.913 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -8.854 9.998 -14.419 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -10.389 8.508 -16.226 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -10.157 10.406 -14.735 1.00 12.00 C ATOM 1416 CZ TYR A 91 -10.924 9.660 -15.639 1.00 12.00 C ATOM 1417 OH TYR A 91 -12.207 10.061 -15.952 1.00 12.00 O ATOM 0 H TYR A 91 -8.945 6.889 -13.875 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.960 6.837 -13.645 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -6.311 9.273 -14.417 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -6.454 7.961 -15.569 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -8.675 7.214 -16.369 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -8.262 10.571 -13.721 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -10.981 7.932 -16.921 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -10.570 11.295 -14.282 1.00 12.00 H new ATOM 0 HH TYR A 91 -12.424 10.879 -15.457 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.301 7.605 -11.186 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.436 8.199 -9.818 1.00 12.00 C ATOM 1429 C ILE A 92 -5.071 8.516 -9.201 1.00 12.00 C ATOM 1430 O ILE A 92 -4.045 8.052 -9.658 1.00 12.00 O ATOM 1431 CB ILE A 92 -7.216 7.201 -8.944 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -7.566 7.848 -7.605 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -6.390 5.935 -8.704 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -8.572 6.967 -6.864 1.00 12.00 C ATOM 0 H ILE A 92 -5.646 6.827 -11.260 1.00 12.00 H new ATOM 0 HA ILE A 92 -6.972 9.146 -9.883 1.00 12.00 H new ATOM 0 HB ILE A 92 -8.133 6.926 -9.466 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.666 7.976 -7.004 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -7.985 8.841 -7.767 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -6.958 5.242 -8.084 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -6.161 5.463 -9.660 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -5.461 6.197 -8.197 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -8.823 7.427 -5.908 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -9.475 6.862 -7.465 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -8.135 5.983 -6.690 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.080 9.329 -8.170 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.817 9.741 -7.477 1.00 12.00 C ATOM 1448 C CYS A 93 -3.693 9.021 -6.134 1.00 12.00 C ATOM 1449 O CYS A 93 -4.478 9.250 -5.226 1.00 12.00 O ATOM 1450 CB CYS A 93 -3.850 11.248 -7.236 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.223 11.807 -6.680 1.00 12.00 S ATOM 0 H CYS A 93 -5.928 9.732 -7.772 1.00 12.00 H new ATOM 0 HA CYS A 93 -2.964 9.478 -8.102 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.131 11.767 -8.152 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.605 11.491 -6.488 1.00 12.00 H new ATOM 0 HG CYS A 93 -1.356 10.853 -6.846 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.703 8.162 -6.009 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.488 7.413 -4.734 1.00 12.00 C ATOM 1458 C VAL A 94 -1.296 8.018 -3.987 1.00 12.00 C ATOM 1459 O VAL A 94 -0.482 8.713 -4.574 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.226 5.928 -5.045 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -0.959 5.777 -5.896 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -2.054 5.158 -3.732 1.00 12.00 C ATOM 0 H VAL A 94 -2.031 7.949 -6.746 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.377 7.488 -4.107 1.00 12.00 H new ATOM 0 HB VAL A 94 -3.073 5.527 -5.601 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -0.787 4.722 -6.108 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -1.083 6.320 -6.833 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -0.105 6.182 -5.353 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -1.868 4.106 -3.949 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.210 5.569 -3.177 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -2.961 5.251 -3.134 1.00 12.00 H new ATOM 1472 N LYS A 95 -1.192 7.743 -2.704 1.00 12.00 N ATOM 1473 CA LYS A 95 -0.054 8.279 -1.898 1.00 12.00 C ATOM 1474 C LYS A 95 0.765 7.100 -1.348 1.00 12.00 C ATOM 1475 O LYS A 95 0.205 6.058 -1.041 1.00 12.00 O ATOM 1476 CB LYS A 95 -0.577 9.153 -0.753 1.00 12.00 C ATOM 1477 CG LYS A 95 0.609 9.812 -0.038 1.00 12.00 C ATOM 1478 CD LYS A 95 0.140 10.472 1.268 1.00 12.00 C ATOM 1479 CE LYS A 95 0.153 11.997 1.116 1.00 12.00 C ATOM 1480 NZ LYS A 95 0.049 12.634 2.460 1.00 12.00 N ATOM 0 H LYS A 95 -1.853 7.167 -2.182 1.00 12.00 H new ATOM 0 HA LYS A 95 0.583 8.899 -2.529 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -1.252 9.916 -1.141 1.00 12.00 H new ATOM 0 HB3 LYS A 95 -1.150 8.548 -0.050 1.00 12.00 H new ATOM 0 HG2 LYS A 95 1.374 9.066 0.177 1.00 12.00 H new ATOM 0 HG3 LYS A 95 1.066 10.558 -0.688 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.865 10.131 1.517 1.00 12.00 H new ATOM 0 HD3 LYS A 95 0.791 10.174 2.090 1.00 12.00 H new ATOM 0 HE2 LYS A 95 1.071 12.316 0.621 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -0.677 12.317 0.485 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 0.058 13.669 2.355 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 -0.838 12.340 2.916 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 0.855 12.339 3.048 1.00 12.00 H new ATOM 1494 N CYS A 96 2.082 7.236 -1.252 1.00 12.00 N ATOM 1495 CA CYS A 96 2.926 6.082 -0.774 1.00 12.00 C ATOM 1496 C CYS A 96 3.707 6.383 0.514 1.00 12.00 C ATOM 1497 O CYS A 96 4.525 7.278 0.571 1.00 12.00 O ATOM 1498 CB CYS A 96 3.946 5.690 -1.860 1.00 12.00 C ATOM 1499 SG CYS A 96 3.329 6.085 -3.521 1.00 12.00 S ATOM 0 H CYS A 96 2.598 8.085 -1.482 1.00 12.00 H new ATOM 0 HA CYS A 96 2.227 5.273 -0.564 1.00 12.00 H new ATOM 0 HB2 CYS A 96 4.886 6.214 -1.685 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.159 4.623 -1.793 1.00 12.00 H new ATOM 1504 N GLU A 97 3.512 5.546 1.507 1.00 12.00 N ATOM 1505 CA GLU A 97 4.277 5.631 2.793 1.00 12.00 C ATOM 1506 C GLU A 97 4.790 4.210 3.026 1.00 12.00 C ATOM 1507 O GLU A 97 4.135 3.251 2.642 1.00 12.00 O ATOM 1508 CB GLU A 97 3.385 6.095 3.948 1.00 12.00 C ATOM 1509 CG GLU A 97 4.141 5.988 5.280 1.00 12.00 C ATOM 1510 CD GLU A 97 3.318 6.637 6.393 1.00 12.00 C ATOM 1511 OE1 GLU A 97 3.157 7.846 6.355 1.00 12.00 O ATOM 1512 OE2 GLU A 97 2.862 5.915 7.264 1.00 12.00 O ATOM 0 H GLU A 97 2.834 4.785 1.477 1.00 12.00 H new ATOM 0 HA GLU A 97 5.085 6.360 2.741 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.070 7.125 3.782 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.481 5.487 3.985 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.331 4.942 5.518 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.111 6.478 5.199 1.00 12.00 H new ATOM 1519 N ASN A 98 5.979 4.049 3.568 1.00 12.00 N ATOM 1520 CA ASN A 98 6.543 2.656 3.719 1.00 12.00 C ATOM 1521 C ASN A 98 6.586 1.980 2.318 1.00 12.00 C ATOM 1522 O ASN A 98 6.716 0.775 2.210 1.00 12.00 O ATOM 1523 CB ASN A 98 5.631 1.842 4.641 1.00 12.00 C ATOM 1524 CG ASN A 98 6.252 1.766 6.036 1.00 12.00 C ATOM 1525 OD1 ASN A 98 5.675 2.237 6.995 1.00 12.00 O ATOM 1526 ND2 ASN A 98 7.413 1.191 6.188 1.00 12.00 N ATOM 0 H ASN A 98 6.576 4.803 3.907 1.00 12.00 H new ATOM 0 HA ASN A 98 7.546 2.703 4.143 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.645 2.304 4.695 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.491 0.839 4.238 1.00 12.00 H new ATOM 0 HD21 ASN A 98 7.838 1.136 7.114 1.00 12.00 H new ATOM 0 HD22 ASN A 98 7.896 0.796 5.381 1.00 12.00 H new ATOM 1533 N GLN A 99 6.464 2.772 1.256 1.00 12.00 N ATOM 1534 CA GLN A 99 6.480 2.272 -0.158 1.00 12.00 C ATOM 1535 C GLN A 99 5.140 1.647 -0.579 1.00 12.00 C ATOM 1536 O GLN A 99 4.900 1.499 -1.769 1.00 12.00 O ATOM 1537 CB GLN A 99 7.626 1.272 -0.391 1.00 12.00 C ATOM 1538 CG GLN A 99 8.963 1.911 -0.003 1.00 12.00 C ATOM 1539 CD GLN A 99 10.096 1.260 -0.801 1.00 12.00 C ATOM 1540 OE1 GLN A 99 10.746 0.352 -0.323 1.00 12.00 O ATOM 1541 NE2 GLN A 99 10.361 1.687 -2.006 1.00 12.00 N ATOM 0 H GLN A 99 6.350 3.783 1.328 1.00 12.00 H new ATOM 0 HA GLN A 99 6.647 3.148 -0.785 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.459 0.371 0.199 1.00 12.00 H new ATOM 0 HB3 GLN A 99 7.648 0.969 -1.438 1.00 12.00 H new ATOM 0 HG2 GLN A 99 8.936 2.983 -0.200 1.00 12.00 H new ATOM 0 HG3 GLN A 99 9.140 1.787 1.065 1.00 12.00 H new ATOM 0 HE21 GLN A 99 9.816 2.449 -2.408 1.00 12.00 H new ATOM 0 HE22 GLN A 99 11.113 1.258 -2.545 1.00 12.00 H new ATOM 1550 N TYR A 100 4.252 1.322 0.343 1.00 12.00 N ATOM 1551 CA TYR A 100 2.919 0.760 -0.064 1.00 12.00 C ATOM 1552 C TYR A 100 1.925 1.930 -0.034 1.00 12.00 C ATOM 1553 O TYR A 100 2.089 2.824 0.777 1.00 12.00 O ATOM 1554 CB TYR A 100 2.519 -0.430 0.878 1.00 12.00 C ATOM 1555 CG TYR A 100 1.390 -0.112 1.869 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.079 0.145 1.419 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.659 -0.095 3.244 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -0.941 0.421 2.338 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.636 0.182 4.158 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.661 0.441 3.705 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.663 0.720 4.607 1.00 12.00 O ATOM 0 H TYR A 100 4.393 1.421 1.348 1.00 12.00 H new ATOM 0 HA TYR A 100 2.936 0.334 -1.067 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.216 -1.277 0.262 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.399 -0.743 1.439 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.140 0.129 0.361 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.659 -0.296 3.600 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -1.944 0.618 1.989 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.849 0.196 5.217 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.392 0.074 4.497 1.00 12.00 H new ATOM 1571 N PRO A 101 0.916 1.906 -0.896 1.00 12.00 N ATOM 1572 CA PRO A 101 -0.085 2.986 -0.930 1.00 12.00 C ATOM 1573 C PRO A 101 -0.813 2.993 0.406 1.00 12.00 C ATOM 1574 O PRO A 101 -1.768 2.288 0.599 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.985 2.629 -2.118 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.765 1.124 -2.385 1.00 12.00 C ATOM 1577 CD PRO A 101 0.653 0.814 -1.868 1.00 12.00 C ATOM 0 HA PRO A 101 0.318 3.990 -1.062 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -2.031 2.836 -1.891 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.726 3.222 -2.995 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.511 0.521 -1.868 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -0.853 0.898 -3.448 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.701 -0.166 -1.393 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.383 0.813 -2.677 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.308 3.767 1.336 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.892 3.820 2.717 1.00 12.00 C ATOM 1587 C VAL A 102 -2.015 4.855 2.801 1.00 12.00 C ATOM 1588 O VAL A 102 -2.701 4.929 3.809 1.00 12.00 O ATOM 1589 CB VAL A 102 0.234 4.215 3.695 1.00 12.00 C ATOM 1590 CG1 VAL A 102 -0.323 4.492 5.102 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.268 3.090 3.779 1.00 12.00 C ATOM 0 H VAL A 102 0.498 4.375 1.195 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.310 2.845 2.969 1.00 12.00 H new ATOM 0 HB VAL A 102 0.701 5.125 3.318 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.494 4.768 5.769 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -1.044 5.308 5.054 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.814 3.596 5.482 1.00 12.00 H new ATOM 0 HG21 VAL A 102 2.060 3.375 4.471 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.786 2.179 4.134 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.695 2.914 2.792 1.00 12.00 H new ATOM 1601 N HIS A 103 -2.171 5.682 1.799 1.00 12.00 N ATOM 1602 CA HIS A 103 -3.204 6.756 1.867 1.00 12.00 C ATOM 1603 C HIS A 103 -3.658 7.083 0.459 1.00 12.00 C ATOM 1604 O HIS A 103 -2.865 6.996 -0.453 1.00 12.00 O ATOM 1605 CB HIS A 103 -2.584 8.031 2.518 1.00 12.00 C ATOM 1606 CG HIS A 103 -1.077 7.880 2.739 1.00 12.00 C ATOM 1607 ND1 HIS A 103 -0.048 7.462 1.913 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 -0.478 8.155 3.960 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.147 7.481 2.607 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 0.838 7.900 3.830 1.00 12.00 N flip ATOM 0 H HIS A 103 -1.627 5.659 0.937 1.00 12.00 H new ATOM 0 HA HIS A 103 -4.051 6.420 2.465 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -2.773 8.894 1.879 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -3.074 8.227 3.472 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.976 8.509 4.851 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.125 7.212 2.235 1.00 12.00 H new ATOM 0 HE2 HIS A 103 1.518 8.015 4.582 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.909 7.476 0.265 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.342 7.828 -1.132 1.00 12.00 C ATOM 1620 C PHE A 104 -5.317 9.353 -1.291 1.00 12.00 C ATOM 1621 O PHE A 104 -5.968 10.065 -0.544 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.758 7.292 -1.489 1.00 12.00 C ATOM 1623 CG PHE A 104 -6.718 6.603 -2.853 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.814 7.033 -3.836 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -7.555 5.512 -3.115 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -5.736 6.388 -5.063 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -7.478 4.852 -4.353 1.00 12.00 C ATOM 1628 CZ PHE A 104 -6.566 5.289 -5.326 1.00 12.00 C ATOM 0 H PHE A 104 -5.622 7.565 0.989 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.644 7.349 -1.818 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -7.095 6.590 -0.726 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.475 8.113 -1.506 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -5.170 7.877 -3.636 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -8.259 5.178 -2.367 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -5.038 6.732 -5.812 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -8.121 4.008 -4.556 1.00 12.00 H new ATOM 0 HZ PHE A 104 -6.504 4.779 -6.276 1.00 12.00 H new ATOM 1638 N ALA A 105 -4.561 9.853 -2.252 1.00 12.00 N ATOM 1639 CA ALA A 105 -4.471 11.335 -2.469 1.00 12.00 C ATOM 1640 C ALA A 105 -5.806 11.868 -2.993 1.00 12.00 C ATOM 1641 O ALA A 105 -6.156 13.011 -2.748 1.00 12.00 O ATOM 1642 CB ALA A 105 -3.362 11.647 -3.480 1.00 12.00 C ATOM 0 H ALA A 105 -4.002 9.292 -2.895 1.00 12.00 H new ATOM 0 HA ALA A 105 -4.240 11.818 -1.519 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -3.302 12.725 -3.633 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -2.409 11.281 -3.099 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -3.586 11.158 -4.428 1.00 12.00 H new ATOM 1648 N GLY A 106 -6.550 11.047 -3.706 1.00 12.00 N ATOM 1649 CA GLY A 106 -7.872 11.490 -4.251 1.00 12.00 C ATOM 1650 C GLY A 106 -7.952 11.170 -5.744 1.00 12.00 C ATOM 1651 O GLY A 106 -7.374 10.203 -6.205 1.00 12.00 O ATOM 0 H GLY A 106 -6.294 10.086 -3.932 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -8.681 10.989 -3.719 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -8.001 12.561 -4.092 1.00 12.00 H new ATOM 1655 N ILE A 107 -8.676 11.980 -6.488 1.00 12.00 N ATOM 1656 CA ILE A 107 -8.839 11.757 -7.962 1.00 12.00 C ATOM 1657 C ILE A 107 -7.475 11.703 -8.657 1.00 12.00 C ATOM 1658 O ILE A 107 -6.440 11.847 -8.029 1.00 12.00 O ATOM 1659 CB ILE A 107 -9.667 12.895 -8.558 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -9.040 14.237 -8.173 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -11.096 12.824 -8.013 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -9.636 15.347 -9.040 1.00 12.00 C ATOM 0 H ILE A 107 -9.167 12.798 -6.128 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.347 10.805 -8.116 1.00 12.00 H new ATOM 0 HB ILE A 107 -9.687 12.802 -9.644 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -9.223 14.447 -7.119 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -7.959 14.197 -8.307 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -11.688 13.635 -8.437 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -11.542 11.868 -8.286 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -11.076 12.918 -6.927 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -9.189 16.303 -8.766 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -9.430 15.139 -10.090 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -10.714 15.392 -8.883 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.493 11.483 -9.954 1.00 12.00 N ATOM 1675 CA GLY A 108 -6.231 11.387 -10.756 1.00 12.00 C ATOM 1676 C GLY A 108 -5.459 12.709 -10.731 1.00 12.00 C ATOM 1677 O GLY A 108 -4.297 12.741 -10.359 1.00 12.00 O ATOM 0 H GLY A 108 -8.347 11.364 -10.499 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -5.604 10.589 -10.359 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -6.470 11.122 -11.786 1.00 12.00 H new