USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 43 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 44 SER OG : rot 40:sc= 0.226 USER MOD Set 2.3: A 47 THR OG1 : rot 11:sc= 1.54 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.366 K(o=0.23,f=-3.9) USER MOD Set 3.2: A 21 THR OG1 : rot 54:sc= 0.593 USER MOD Single : A 2 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 7 GLN :FLIP amide:sc=-0.00804 F(o=-0.53,f=-0.008) USER MOD Single : A 8 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.11) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0.0056) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00312 USER MOD Single : A 18 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.47) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -2.02 F(o=-2.7,f=-2) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 124:sc= -2.33! USER MOD Single : A 33 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.047) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -2.55 F(o=-4.1!,f=-2.6) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 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 -7:sc= -0.71 USER MOD Single : A 57 ASN : amide:sc= -0.0783 K(o=-0.078,f=-0.96) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.75) USER MOD Single : A 62 SER OG : rot -170:sc= -0.0674 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -2:sc= 1.12 USER MOD Single : A 84 SER OG : rot 21:sc= -0.0545 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -3.29! F(o=-3.9,f=-3.3!) USER MOD Single : A 91 TYR OH : rot 150:sc= -5.32! USER MOD Single : A 93 CYS SG : rot 5:sc= 0.138 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 68:sc= -1.42! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -6.62! C(o=-8.2!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -3.402 1.907 8.217 1.00 12.00 N ATOM 16 CA ASN A 2 -2.859 0.525 8.386 1.00 12.00 C ATOM 17 C ASN A 2 -3.098 -0.271 7.090 1.00 12.00 C ATOM 18 O ASN A 2 -3.975 0.052 6.310 1.00 12.00 O ATOM 19 CB ASN A 2 -3.542 -0.130 9.597 1.00 12.00 C ATOM 20 CG ASN A 2 -3.108 -1.596 9.742 1.00 12.00 C ATOM 21 OD1 ASN A 2 -3.937 -2.479 9.802 1.00 12.00 O ATOM 22 ND2 ASN A 2 -1.837 -1.893 9.809 1.00 12.00 N ATOM 0 HA ASN A 2 -1.785 0.546 8.572 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -3.290 0.420 10.504 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -4.625 -0.076 9.482 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -1.545 -2.865 9.911 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -1.137 -1.153 9.759 1.00 12.00 H new ATOM 29 N TRP A 3 -2.295 -1.286 6.859 1.00 12.00 N ATOM 30 CA TRP A 3 -2.401 -2.126 5.604 1.00 12.00 C ATOM 31 C TRP A 3 -3.703 -2.963 5.627 1.00 12.00 C ATOM 32 O TRP A 3 -4.230 -3.311 4.587 1.00 12.00 O ATOM 33 CB TRP A 3 -1.194 -3.087 5.551 1.00 12.00 C ATOM 34 CG TRP A 3 -0.390 -2.992 4.282 1.00 12.00 C ATOM 35 CD1 TRP A 3 0.949 -2.809 4.273 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.789 -3.121 2.872 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.406 -2.844 2.973 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.381 -3.031 2.073 1.00 12.00 C ATOM 39 CE3 TRP A 3 -2.019 -3.312 2.209 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.336 -3.139 0.682 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -2.065 -3.419 0.803 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.888 -3.337 0.043 1.00 12.00 C ATOM 0 H TRP A 3 -1.554 -1.578 7.496 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.413 -1.471 4.733 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.541 -2.880 6.399 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.552 -4.110 5.666 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.565 -2.659 5.148 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.386 -2.743 2.709 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.932 -3.377 2.782 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.245 -3.070 0.103 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -3.013 -3.565 0.308 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.930 -3.427 -1.032 1.00 12.00 H new ATOM 53 N ALA A 4 -4.192 -3.315 6.809 1.00 12.00 N ATOM 54 CA ALA A 4 -5.436 -4.167 6.929 1.00 12.00 C ATOM 55 C ALA A 4 -6.689 -3.348 6.594 1.00 12.00 C ATOM 56 O ALA A 4 -7.428 -3.667 5.671 1.00 12.00 O ATOM 57 CB ALA A 4 -5.547 -4.695 8.363 1.00 12.00 C ATOM 0 H ALA A 4 -3.777 -3.045 7.701 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.362 -4.996 6.226 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.442 -5.310 8.456 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.668 -5.295 8.599 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.610 -3.856 9.056 1.00 12.00 H new ATOM 63 N THR A 5 -6.928 -2.296 7.341 1.00 12.00 N ATOM 64 CA THR A 5 -8.114 -1.422 7.084 1.00 12.00 C ATOM 65 C THR A 5 -7.962 -0.812 5.687 1.00 12.00 C ATOM 66 O THR A 5 -8.940 -0.545 5.010 1.00 12.00 O ATOM 67 CB THR A 5 -8.174 -0.311 8.139 1.00 12.00 C ATOM 68 OG1 THR A 5 -7.846 -0.848 9.415 1.00 12.00 O ATOM 69 CG2 THR A 5 -9.584 0.277 8.177 1.00 12.00 C ATOM 0 H THR A 5 -6.345 -2.004 8.125 1.00 12.00 H new ATOM 0 HA THR A 5 -9.035 -2.003 7.140 1.00 12.00 H new ATOM 0 HB THR A 5 -7.461 0.473 7.884 1.00 12.00 H new ATOM 0 HG1 THR A 5 -7.883 -0.137 10.088 1.00 12.00 H new ATOM 0 HG21 THR A 5 -9.629 1.067 8.927 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.833 0.690 7.199 1.00 12.00 H new ATOM 0 HG23 THR A 5 -10.298 -0.506 8.432 1.00 12.00 H new ATOM 77 N PHE A 6 -6.727 -0.623 5.251 1.00 12.00 N ATOM 78 CA PHE A 6 -6.458 -0.065 3.893 1.00 12.00 C ATOM 79 C PHE A 6 -6.619 -1.177 2.851 1.00 12.00 C ATOM 80 O PHE A 6 -6.914 -0.908 1.700 1.00 12.00 O ATOM 81 CB PHE A 6 -5.052 0.504 3.844 1.00 12.00 C ATOM 82 CG PHE A 6 -4.830 1.183 2.507 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.544 0.397 1.387 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.905 2.588 2.378 1.00 12.00 C ATOM 85 CE1 PHE A 6 -4.332 0.993 0.148 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.693 3.187 1.131 1.00 12.00 C ATOM 87 CZ PHE A 6 -4.405 2.386 0.016 1.00 12.00 C ATOM 0 H PHE A 6 -5.890 -0.838 5.794 1.00 12.00 H new ATOM 0 HA PHE A 6 -7.166 0.735 3.675 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.908 1.218 4.655 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -4.321 -0.292 3.986 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.487 -0.677 1.484 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -5.126 3.199 3.241 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -4.111 0.381 -0.714 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.751 4.260 1.028 1.00 12.00 H new ATOM 0 HZ PHE A 6 -4.239 2.845 -0.948 1.00 12.00 H new ATOM 97 N GLN A 7 -6.471 -2.435 3.250 1.00 12.00 N ATOM 98 CA GLN A 7 -6.669 -3.567 2.275 1.00 12.00 C ATOM 99 C GLN A 7 -8.082 -3.432 1.730 1.00 12.00 C ATOM 100 O GLN A 7 -8.326 -3.663 0.566 1.00 12.00 O ATOM 101 CB GLN A 7 -6.504 -4.938 2.950 1.00 12.00 C ATOM 102 CG GLN A 7 -5.033 -5.377 2.905 1.00 12.00 C ATOM 103 CD GLN A 7 -4.877 -6.601 1.997 1.00 12.00 C ATOM 104 OE1 GLN A 7 -5.107 -6.484 0.717 1.00 12.00 O flip ATOM 105 NE2 GLN A 7 -4.539 -7.672 2.457 1.00 12.00 N flip ATOM 0 H GLN A 7 -6.225 -2.718 4.198 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.920 -3.511 1.485 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -6.844 -4.886 3.984 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.127 -5.677 2.446 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -4.413 -4.560 2.537 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -4.685 -5.614 3.910 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -4.359 -7.764 3.457 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -4.435 -8.480 1.844 1.00 12.00 H new ATOM 114 N GLN A 8 -8.999 -3.000 2.571 1.00 12.00 N ATOM 115 CA GLN A 8 -10.398 -2.771 2.109 1.00 12.00 C ATOM 116 C GLN A 8 -10.421 -1.445 1.330 1.00 12.00 C ATOM 117 O GLN A 8 -11.137 -1.304 0.347 1.00 12.00 O ATOM 118 CB GLN A 8 -11.344 -2.676 3.313 1.00 12.00 C ATOM 119 CG GLN A 8 -11.961 -4.049 3.591 1.00 12.00 C ATOM 120 CD GLN A 8 -10.864 -5.021 4.033 1.00 12.00 C ATOM 121 OE1 GLN A 8 -10.763 -6.115 3.517 1.00 12.00 O ATOM 122 NE2 GLN A 8 -10.033 -4.661 4.971 1.00 12.00 N ATOM 0 H GLN A 8 -8.832 -2.798 3.557 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.727 -3.597 1.478 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.799 -2.327 4.190 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -12.129 -1.947 3.115 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.723 -3.967 4.366 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -12.456 -4.425 2.696 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -10.119 -3.741 5.403 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -9.296 -5.299 5.272 1.00 12.00 H new ATOM 131 N LYS A 9 -9.620 -0.478 1.772 1.00 12.00 N ATOM 132 CA LYS A 9 -9.547 0.869 1.099 1.00 12.00 C ATOM 133 C LYS A 9 -9.440 0.701 -0.430 1.00 12.00 C ATOM 134 O LYS A 9 -10.311 1.155 -1.157 1.00 12.00 O ATOM 135 CB LYS A 9 -8.352 1.684 1.658 1.00 12.00 C ATOM 136 CG LYS A 9 -8.317 3.072 1.016 1.00 12.00 C ATOM 137 CD LYS A 9 -9.331 3.985 1.713 1.00 12.00 C ATOM 138 CE LYS A 9 -9.935 4.952 0.692 1.00 12.00 C ATOM 139 NZ LYS A 9 -10.563 6.103 1.402 1.00 12.00 N ATOM 0 H LYS A 9 -9.008 -0.575 2.583 1.00 12.00 H new ATOM 0 HA LYS A 9 -10.463 1.421 1.313 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -8.440 1.777 2.740 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -7.418 1.159 1.458 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -7.316 3.496 1.096 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -8.549 2.998 -0.047 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -10.118 3.387 2.173 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -8.844 4.542 2.514 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -9.161 5.309 0.013 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -10.679 4.437 0.084 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -10.973 6.758 0.706 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -11.313 5.755 2.033 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -9.842 6.600 1.963 1.00 12.00 H new ATOM 153 N HIS A 10 -8.402 0.045 -0.918 1.00 12.00 N ATOM 154 CA HIS A 10 -8.266 -0.168 -2.400 1.00 12.00 C ATOM 155 C HIS A 10 -8.630 -1.594 -2.810 1.00 12.00 C ATOM 156 O HIS A 10 -8.560 -1.904 -3.991 1.00 12.00 O ATOM 157 CB HIS A 10 -6.836 0.146 -2.891 1.00 12.00 C ATOM 158 CG HIS A 10 -6.844 1.420 -3.692 1.00 12.00 C ATOM 159 ND1 HIS A 10 -6.145 1.539 -4.885 1.00 12.00 N ATOM 160 CD2 HIS A 10 -7.501 2.610 -3.520 1.00 12.00 C ATOM 161 CE1 HIS A 10 -6.399 2.762 -5.382 1.00 12.00 C ATOM 162 NE2 HIS A 10 -7.222 3.457 -4.591 1.00 12.00 N ATOM 0 H HIS A 10 -7.649 -0.349 -0.355 1.00 12.00 H new ATOM 0 HA HIS A 10 -8.967 0.523 -2.869 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -6.162 0.244 -2.040 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -6.462 -0.676 -3.501 1.00 12.00 H new ATOM 0 HD1 HIS A 10 -5.548 0.828 -5.308 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -8.138 2.854 -2.683 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -5.988 3.137 -6.308 1.00 12.00 H new ATOM 170 N ILE A 11 -8.969 -2.481 -1.886 1.00 12.00 N ATOM 171 CA ILE A 11 -9.265 -3.885 -2.330 1.00 12.00 C ATOM 172 C ILE A 11 -10.479 -4.554 -1.648 1.00 12.00 C ATOM 173 O ILE A 11 -10.337 -5.512 -0.895 1.00 12.00 O ATOM 174 CB ILE A 11 -8.014 -4.761 -2.144 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.795 -4.088 -2.777 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.239 -6.111 -2.828 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.077 -3.232 -1.733 1.00 12.00 C ATOM 0 H ILE A 11 -9.050 -2.300 -0.886 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.540 -3.802 -3.381 1.00 12.00 H new ATOM 0 HB ILE A 11 -7.837 -4.899 -1.077 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.115 -4.843 -3.172 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -7.106 -3.468 -3.618 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.355 -6.736 -2.699 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.101 -6.606 -2.382 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.421 -5.954 -3.891 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.209 -2.755 -2.188 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.758 -2.467 -1.359 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -5.751 -3.863 -0.906 1.00 12.00 H new ATOM 189 N ILE A 12 -11.672 -4.141 -2.018 1.00 12.00 N ATOM 190 CA ILE A 12 -12.895 -4.847 -1.531 1.00 12.00 C ATOM 191 C ILE A 12 -13.230 -5.788 -2.695 1.00 12.00 C ATOM 192 O ILE A 12 -14.192 -5.599 -3.423 1.00 12.00 O ATOM 193 CB ILE A 12 -14.042 -3.865 -1.264 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.527 -2.744 -0.343 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.211 -4.619 -0.603 1.00 12.00 C ATOM 196 CD1 ILE A 12 -14.672 -1.816 0.083 1.00 12.00 C ATOM 0 H ILE A 12 -11.847 -3.347 -2.635 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.742 -5.366 -0.585 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.396 -3.426 -2.197 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -13.059 -3.179 0.540 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -12.759 -2.168 -0.859 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -16.029 -3.925 -0.411 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.555 -5.411 -1.268 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -14.877 -5.055 0.338 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -14.283 -1.032 0.733 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -15.122 -1.364 -0.801 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -15.426 -2.391 0.620 1.00 12.00 H new ATOM 208 N ASN A 13 -12.350 -6.750 -2.917 1.00 12.00 N ATOM 209 CA ASN A 13 -12.476 -7.688 -4.079 1.00 12.00 C ATOM 210 C ASN A 13 -13.541 -8.770 -3.844 1.00 12.00 C ATOM 211 O ASN A 13 -13.233 -9.935 -3.615 1.00 12.00 O ATOM 212 CB ASN A 13 -11.110 -8.337 -4.354 1.00 12.00 C ATOM 213 CG ASN A 13 -11.016 -8.705 -5.835 1.00 12.00 C ATOM 214 OD1 ASN A 13 -11.545 -9.715 -6.255 1.00 12.00 O ATOM 215 ND2 ASN A 13 -10.362 -7.923 -6.648 1.00 12.00 N ATOM 0 H ASN A 13 -11.537 -6.922 -2.326 1.00 12.00 H new ATOM 0 HA ASN A 13 -12.799 -7.110 -4.945 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -10.307 -7.650 -4.086 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -10.986 -9.227 -3.737 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -10.294 -8.159 -7.638 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -9.918 -7.075 -6.294 1.00 12.00 H new ATOM 222 N THR A 14 -14.791 -8.391 -3.958 1.00 12.00 N ATOM 223 CA THR A 14 -15.906 -9.378 -3.814 1.00 12.00 C ATOM 224 C THR A 14 -16.496 -9.581 -5.225 1.00 12.00 C ATOM 225 O THR A 14 -16.752 -8.593 -5.892 1.00 12.00 O ATOM 226 CB THR A 14 -16.986 -8.834 -2.862 1.00 12.00 C ATOM 227 OG1 THR A 14 -17.045 -7.417 -2.952 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.651 -9.242 -1.424 1.00 12.00 C ATOM 0 H THR A 14 -15.088 -7.433 -4.146 1.00 12.00 H new ATOM 0 HA THR A 14 -15.545 -10.318 -3.396 1.00 12.00 H new ATOM 0 HB THR A 14 -17.953 -9.249 -3.145 1.00 12.00 H new ATOM 0 HG1 THR A 14 -17.736 -7.079 -2.344 1.00 12.00 H new ATOM 0 HG21 THR A 14 -17.415 -8.857 -0.749 1.00 12.00 H new ATOM 0 HG22 THR A 14 -16.618 -10.329 -1.353 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.681 -8.830 -1.146 1.00 12.00 H new ATOM 236 N PRO A 15 -16.684 -10.824 -5.675 1.00 12.00 N ATOM 237 CA PRO A 15 -17.222 -11.078 -7.034 1.00 12.00 C ATOM 238 C PRO A 15 -18.684 -10.633 -7.124 1.00 12.00 C ATOM 239 O PRO A 15 -19.168 -10.305 -8.195 1.00 12.00 O ATOM 240 CB PRO A 15 -17.057 -12.588 -7.229 1.00 12.00 C ATOM 241 CG PRO A 15 -16.948 -13.195 -5.817 1.00 12.00 C ATOM 242 CD PRO A 15 -16.420 -12.072 -4.906 1.00 12.00 C ATOM 0 HA PRO A 15 -16.705 -10.518 -7.813 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -17.907 -13.006 -7.768 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -16.167 -12.809 -7.818 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -17.918 -13.553 -5.471 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -16.272 -14.050 -5.812 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.934 -12.064 -3.945 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.357 -12.194 -4.698 1.00 12.00 H new ATOM 250 N ILE A 16 -19.369 -10.589 -5.999 1.00 12.00 N ATOM 251 CA ILE A 16 -20.793 -10.129 -5.985 1.00 12.00 C ATOM 252 C ILE A 16 -20.808 -8.615 -6.208 1.00 12.00 C ATOM 253 O ILE A 16 -19.886 -7.922 -5.807 1.00 12.00 O ATOM 254 CB ILE A 16 -21.429 -10.454 -4.628 1.00 12.00 C ATOM 255 CG1 ILE A 16 -20.545 -9.905 -3.500 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.565 -11.969 -4.474 1.00 12.00 C ATOM 257 CD1 ILE A 16 -21.424 -9.348 -2.378 1.00 12.00 C ATOM 0 H ILE A 16 -18.996 -10.854 -5.087 1.00 12.00 H new ATOM 0 HA ILE A 16 -21.359 -10.633 -6.768 1.00 12.00 H new ATOM 0 HB ILE A 16 -22.415 -9.993 -4.574 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -19.902 -10.695 -3.112 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -19.892 -9.122 -3.886 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -22.017 -12.197 -3.509 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -22.196 -12.361 -5.272 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.579 -12.430 -4.531 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -20.792 -8.959 -1.579 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -22.049 -8.545 -2.770 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -22.058 -10.142 -1.985 1.00 12.00 H new ATOM 269 N ILE A 17 -21.842 -8.102 -6.842 1.00 12.00 N ATOM 270 CA ILE A 17 -21.929 -6.625 -7.099 1.00 12.00 C ATOM 271 C ILE A 17 -23.061 -6.031 -6.252 1.00 12.00 C ATOM 272 O ILE A 17 -24.189 -5.888 -6.698 1.00 12.00 O ATOM 273 CB ILE A 17 -22.178 -6.358 -8.591 1.00 12.00 C ATOM 274 CG1 ILE A 17 -23.276 -7.286 -9.121 1.00 12.00 C ATOM 275 CG2 ILE A 17 -20.885 -6.602 -9.375 1.00 12.00 C ATOM 276 CD1 ILE A 17 -23.642 -6.866 -10.545 1.00 12.00 C ATOM 0 H ILE A 17 -22.631 -8.645 -7.193 1.00 12.00 H new ATOM 0 HA ILE A 17 -20.987 -6.153 -6.822 1.00 12.00 H new ATOM 0 HB ILE A 17 -22.497 -5.323 -8.716 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -22.932 -8.320 -9.111 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -24.154 -7.236 -8.477 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -21.060 -6.413 -10.434 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -20.107 -5.932 -9.011 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -20.567 -7.636 -9.239 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -24.423 -7.522 -10.929 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -24.003 -5.837 -10.540 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -22.761 -6.938 -11.183 1.00 12.00 H new ATOM 288 N ASN A 18 -22.746 -5.695 -5.021 1.00 12.00 N ATOM 289 CA ASN A 18 -23.766 -5.109 -4.087 1.00 12.00 C ATOM 290 C ASN A 18 -23.075 -4.119 -3.144 1.00 12.00 C ATOM 291 O ASN A 18 -22.381 -4.519 -2.223 1.00 12.00 O ATOM 292 CB ASN A 18 -24.400 -6.232 -3.264 1.00 12.00 C ATOM 293 CG ASN A 18 -25.146 -7.193 -4.190 1.00 12.00 C ATOM 294 OD1 ASN A 18 -24.791 -8.352 -4.295 1.00 12.00 O ATOM 295 ND2 ASN A 18 -26.172 -6.761 -4.868 1.00 12.00 N ATOM 0 H ASN A 18 -21.815 -5.803 -4.619 1.00 12.00 H new ATOM 0 HA ASN A 18 -24.537 -4.594 -4.660 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -23.630 -6.769 -2.711 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.087 -5.813 -2.529 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -26.678 -7.395 -5.487 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -26.469 -5.789 -4.780 1.00 12.00 H new ATOM 302 N CYS A 19 -23.260 -2.833 -3.377 1.00 12.00 N ATOM 303 CA CYS A 19 -22.611 -1.793 -2.501 1.00 12.00 C ATOM 304 C CYS A 19 -23.341 -1.680 -1.154 1.00 12.00 C ATOM 305 O CYS A 19 -22.860 -0.998 -0.264 1.00 12.00 O ATOM 306 CB CYS A 19 -22.630 -0.420 -3.189 1.00 12.00 C ATOM 307 SG CYS A 19 -22.079 -0.573 -4.907 1.00 12.00 S ATOM 0 H CYS A 19 -23.832 -2.460 -4.135 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.580 -2.104 -2.330 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -23.637 -0.004 -3.158 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.982 0.273 -2.652 1.00 12.00 H new ATOM 312 N ASN A 20 -24.483 -2.332 -0.990 1.00 12.00 N ATOM 313 CA ASN A 20 -25.224 -2.243 0.320 1.00 12.00 C ATOM 314 C ASN A 20 -24.434 -2.988 1.397 1.00 12.00 C ATOM 315 O ASN A 20 -24.232 -2.472 2.486 1.00 12.00 O ATOM 316 CB ASN A 20 -26.636 -2.843 0.195 1.00 12.00 C ATOM 317 CG ASN A 20 -26.593 -4.179 -0.552 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.258 -5.199 0.018 1.00 12.00 O ATOM 319 ND2 ASN A 20 -26.934 -4.217 -1.810 1.00 12.00 N ATOM 0 H ASN A 20 -24.927 -2.915 -1.700 1.00 12.00 H new ATOM 0 HA ASN A 20 -25.326 -1.193 0.596 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -27.063 -2.989 1.187 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -27.287 -2.146 -0.333 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -26.920 -5.103 -2.316 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -27.215 -3.361 -2.288 1.00 12.00 H new ATOM 326 N THR A 21 -23.978 -4.186 1.094 1.00 12.00 N ATOM 327 CA THR A 21 -23.182 -4.975 2.084 1.00 12.00 C ATOM 328 C THR A 21 -21.711 -4.523 2.044 1.00 12.00 C ATOM 329 O THR A 21 -20.974 -4.752 2.989 1.00 12.00 O ATOM 330 CB THR A 21 -23.295 -6.478 1.773 1.00 12.00 C ATOM 331 OG1 THR A 21 -24.643 -6.790 1.446 1.00 12.00 O ATOM 332 CG2 THR A 21 -22.872 -7.284 3.002 1.00 12.00 C ATOM 0 H THR A 21 -24.126 -4.649 0.197 1.00 12.00 H new ATOM 0 HA THR A 21 -23.576 -4.800 3.085 1.00 12.00 H new ATOM 0 HB THR A 21 -22.647 -6.727 0.933 1.00 12.00 H new ATOM 0 HG1 THR A 21 -24.949 -6.202 0.724 1.00 12.00 H new ATOM 0 HG21 THR A 21 -22.951 -8.349 2.784 1.00 12.00 H new ATOM 0 HG22 THR A 21 -21.841 -7.042 3.258 1.00 12.00 H new ATOM 0 HG23 THR A 21 -23.522 -7.036 3.841 1.00 12.00 H new ATOM 340 N ILE A 22 -21.284 -3.874 0.964 1.00 12.00 N ATOM 341 CA ILE A 22 -19.866 -3.395 0.862 1.00 12.00 C ATOM 342 C ILE A 22 -19.714 -1.996 1.491 1.00 12.00 C ATOM 343 O ILE A 22 -18.605 -1.503 1.619 1.00 12.00 O ATOM 344 CB ILE A 22 -19.435 -3.353 -0.611 1.00 12.00 C ATOM 345 CG1 ILE A 22 -19.678 -4.724 -1.247 1.00 12.00 C ATOM 346 CG2 ILE A 22 -17.944 -3.013 -0.693 1.00 12.00 C ATOM 347 CD1 ILE A 22 -19.673 -4.594 -2.772 1.00 12.00 C ATOM 0 H ILE A 22 -21.866 -3.661 0.154 1.00 12.00 H new ATOM 0 HA ILE A 22 -19.227 -4.090 1.407 1.00 12.00 H new ATOM 0 HB ILE A 22 -20.012 -2.595 -1.141 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -18.906 -5.425 -0.930 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -20.633 -5.128 -0.910 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -17.635 -2.982 -1.738 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -17.767 -2.041 -0.233 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -17.368 -3.774 -0.166 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.846 -5.572 -3.221 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -20.461 -3.908 -3.081 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -18.708 -4.209 -3.101 1.00 12.00 H new ATOM 359 N MET A 23 -20.806 -1.358 1.890 1.00 12.00 N ATOM 360 CA MET A 23 -20.710 0.001 2.517 1.00 12.00 C ATOM 361 C MET A 23 -21.047 -0.123 4.005 1.00 12.00 C ATOM 362 O MET A 23 -20.365 0.432 4.852 1.00 12.00 O ATOM 363 CB MET A 23 -21.681 0.977 1.825 1.00 12.00 C ATOM 364 CG MET A 23 -23.136 0.537 2.041 1.00 12.00 C ATOM 365 SD MET A 23 -24.210 1.413 0.875 1.00 12.00 S ATOM 366 CE MET A 23 -24.769 2.711 2.007 1.00 12.00 C ATOM 0 H MET A 23 -21.754 -1.726 1.805 1.00 12.00 H new ATOM 0 HA MET A 23 -19.699 0.392 2.401 1.00 12.00 H new ATOM 0 HB2 MET A 23 -21.537 1.983 2.220 1.00 12.00 H new ATOM 0 HB3 MET A 23 -21.463 1.020 0.758 1.00 12.00 H new ATOM 0 HG2 MET A 23 -23.227 -0.540 1.897 1.00 12.00 H new ATOM 0 HG3 MET A 23 -23.443 0.749 3.065 1.00 12.00 H new ATOM 0 HE1 MET A 23 -25.455 3.378 1.485 1.00 12.00 H new ATOM 0 HE2 MET A 23 -25.280 2.258 2.857 1.00 12.00 H new ATOM 0 HE3 MET A 23 -23.909 3.279 2.362 1.00 12.00 H new ATOM 376 N ASP A 24 -22.081 -0.879 4.315 1.00 12.00 N ATOM 377 CA ASP A 24 -22.474 -1.097 5.745 1.00 12.00 C ATOM 378 C ASP A 24 -21.328 -1.847 6.430 1.00 12.00 C ATOM 379 O ASP A 24 -21.210 -3.056 6.315 1.00 12.00 O ATOM 380 CB ASP A 24 -23.762 -1.925 5.795 1.00 12.00 C ATOM 381 CG ASP A 24 -24.966 -0.991 5.927 1.00 12.00 C ATOM 382 OD1 ASP A 24 -25.256 -0.291 4.970 1.00 12.00 O ATOM 383 OD2 ASP A 24 -25.576 -0.987 6.984 1.00 12.00 O ATOM 0 H ASP A 24 -22.671 -1.355 3.632 1.00 12.00 H new ATOM 0 HA ASP A 24 -22.656 -0.150 6.253 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -23.854 -2.528 4.892 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -23.730 -2.616 6.638 1.00 12.00 H new ATOM 388 N ASN A 25 -20.465 -1.118 7.107 1.00 12.00 N ATOM 389 CA ASN A 25 -19.286 -1.738 7.782 1.00 12.00 C ATOM 390 C ASN A 25 -18.630 -0.697 8.687 1.00 12.00 C ATOM 391 O ASN A 25 -18.794 0.497 8.482 1.00 12.00 O ATOM 392 CB ASN A 25 -18.276 -2.182 6.712 1.00 12.00 C ATOM 393 CG ASN A 25 -17.122 -2.952 7.362 1.00 12.00 C ATOM 394 OD1 ASN A 25 -15.914 -2.806 6.892 1.00 12.00 O flip ATOM 395 ND2 ASN A 25 -17.321 -3.701 8.299 1.00 12.00 N flip ATOM 0 H ASN A 25 -20.534 -0.106 7.218 1.00 12.00 H new ATOM 0 HA ASN A 25 -19.602 -2.597 8.373 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -18.771 -2.811 5.972 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -17.889 -1.311 6.183 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -18.265 -3.817 8.668 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -16.544 -4.214 8.716 1.00 12.00 H new ATOM 402 N ASN A 26 -17.886 -1.139 9.676 1.00 12.00 N ATOM 403 CA ASN A 26 -17.196 -0.183 10.605 1.00 12.00 C ATOM 404 C ASN A 26 -16.062 0.545 9.866 1.00 12.00 C ATOM 405 O ASN A 26 -15.511 1.502 10.384 1.00 12.00 O ATOM 406 CB ASN A 26 -16.618 -0.954 11.793 1.00 12.00 C ATOM 407 CG ASN A 26 -17.759 -1.488 12.658 1.00 12.00 C ATOM 408 OD1 ASN A 26 -18.334 -0.760 13.444 1.00 12.00 O ATOM 409 ND2 ASN A 26 -18.115 -2.738 12.546 1.00 12.00 N ATOM 0 H ASN A 26 -17.726 -2.125 9.881 1.00 12.00 H new ATOM 0 HA ASN A 26 -17.918 0.552 10.961 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -15.999 -1.779 11.439 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -15.974 -0.303 12.384 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -18.876 -3.105 13.118 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -17.633 -3.349 11.887 1.00 12.00 H new ATOM 416 N ILE A 27 -15.711 0.104 8.667 1.00 12.00 N ATOM 417 CA ILE A 27 -14.611 0.776 7.899 1.00 12.00 C ATOM 418 C ILE A 27 -15.188 1.877 6.989 1.00 12.00 C ATOM 419 O ILE A 27 -14.501 2.373 6.109 1.00 12.00 O ATOM 420 CB ILE A 27 -13.874 -0.262 7.047 1.00 12.00 C ATOM 421 CG1 ILE A 27 -13.412 -1.413 7.945 1.00 12.00 C ATOM 422 CG2 ILE A 27 -12.654 0.388 6.389 1.00 12.00 C ATOM 423 CD1 ILE A 27 -12.794 -2.517 7.087 1.00 12.00 C ATOM 0 H ILE A 27 -16.142 -0.691 8.195 1.00 12.00 H new ATOM 0 HA ILE A 27 -13.916 1.232 8.604 1.00 12.00 H new ATOM 0 HB ILE A 27 -14.543 -0.642 6.275 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -12.683 -1.052 8.671 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -14.256 -1.808 8.511 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -12.130 -0.351 5.783 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -12.979 1.213 5.755 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -11.983 0.766 7.160 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -12.466 -3.335 7.728 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -13.536 -2.886 6.379 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -11.939 -2.118 6.541 1.00 12.00 H new ATOM 435 N TYR A 28 -16.438 2.265 7.196 1.00 12.00 N ATOM 436 CA TYR A 28 -17.058 3.339 6.345 1.00 12.00 C ATOM 437 C TYR A 28 -18.164 4.084 7.137 1.00 12.00 C ATOM 438 O TYR A 28 -19.343 3.983 6.809 1.00 12.00 O ATOM 439 CB TYR A 28 -17.671 2.702 5.088 1.00 12.00 C ATOM 440 CG TYR A 28 -16.590 2.149 4.203 1.00 12.00 C ATOM 441 CD1 TYR A 28 -15.621 3.004 3.670 1.00 12.00 C ATOM 442 CD2 TYR A 28 -16.566 0.783 3.901 1.00 12.00 C ATOM 443 CE1 TYR A 28 -14.625 2.494 2.839 1.00 12.00 C ATOM 444 CE2 TYR A 28 -15.573 0.273 3.065 1.00 12.00 C ATOM 445 CZ TYR A 28 -14.599 1.128 2.533 1.00 12.00 C ATOM 446 OH TYR A 28 -13.615 0.627 1.705 1.00 12.00 O ATOM 0 H TYR A 28 -17.050 1.882 7.917 1.00 12.00 H new ATOM 0 HA TYR A 28 -16.286 4.054 6.060 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -18.359 1.906 5.374 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -18.252 3.445 4.542 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.644 4.059 3.902 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -17.315 0.124 4.315 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.873 3.153 2.431 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -15.555 -0.780 2.828 1.00 12.00 H new ATOM 0 HH TYR A 28 -13.135 -0.092 2.166 1.00 12.00 H new ATOM 456 N ILE A 29 -17.813 4.833 8.178 1.00 12.00 N ATOM 457 CA ILE A 29 -18.868 5.564 8.959 1.00 12.00 C ATOM 458 C ILE A 29 -18.323 6.894 9.479 1.00 12.00 C ATOM 459 O ILE A 29 -17.229 6.959 10.014 1.00 12.00 O ATOM 460 CB ILE A 29 -19.325 4.713 10.146 1.00 12.00 C ATOM 461 CG1 ILE A 29 -19.722 3.315 9.652 1.00 12.00 C ATOM 462 CG2 ILE A 29 -20.531 5.393 10.806 1.00 12.00 C ATOM 463 CD1 ILE A 29 -20.143 2.438 10.835 1.00 12.00 C ATOM 0 H ILE A 29 -16.857 4.963 8.509 1.00 12.00 H new ATOM 0 HA ILE A 29 -19.712 5.756 8.297 1.00 12.00 H new ATOM 0 HB ILE A 29 -18.516 4.617 10.870 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -20.541 3.393 8.937 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -18.884 2.855 9.128 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -20.866 4.796 11.654 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -20.244 6.386 11.152 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.341 5.481 10.081 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -20.423 1.449 10.473 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -19.312 2.347 11.534 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -20.995 2.893 11.341 1.00 12.00 H new ATOM 475 N VAL A 30 -19.108 7.940 9.345 1.00 12.00 N ATOM 476 CA VAL A 30 -18.692 9.291 9.849 1.00 12.00 C ATOM 477 C VAL A 30 -19.581 9.624 11.073 1.00 12.00 C ATOM 478 O VAL A 30 -20.164 8.721 11.659 1.00 12.00 O ATOM 479 CB VAL A 30 -18.801 10.314 8.686 1.00 12.00 C ATOM 480 CG1 VAL A 30 -20.239 10.801 8.482 1.00 12.00 C ATOM 481 CG2 VAL A 30 -17.876 11.511 8.948 1.00 12.00 C ATOM 0 H VAL A 30 -20.027 7.915 8.904 1.00 12.00 H new ATOM 0 HA VAL A 30 -17.654 9.321 10.181 1.00 12.00 H new ATOM 0 HB VAL A 30 -18.492 9.805 7.773 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -20.268 11.515 7.659 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -20.881 9.952 8.249 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -20.592 11.284 9.393 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -17.960 12.222 8.126 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -18.165 11.997 9.880 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -16.845 11.165 9.024 1.00 12.00 H new ATOM 491 N GLY A 31 -19.665 10.872 11.492 1.00 12.00 N ATOM 492 CA GLY A 31 -20.482 11.211 12.707 1.00 12.00 C ATOM 493 C GLY A 31 -21.889 11.687 12.328 1.00 12.00 C ATOM 494 O GLY A 31 -22.234 12.836 12.546 1.00 12.00 O ATOM 0 H GLY A 31 -19.205 11.665 11.046 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -20.555 10.336 13.352 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -19.977 11.988 13.280 1.00 12.00 H new ATOM 498 N GLY A 32 -22.703 10.798 11.793 1.00 12.00 N ATOM 499 CA GLY A 32 -24.108 11.159 11.426 1.00 12.00 C ATOM 500 C GLY A 32 -24.907 9.879 11.160 1.00 12.00 C ATOM 501 O GLY A 32 -25.822 9.543 11.894 1.00 12.00 O ATOM 0 H GLY A 32 -22.446 9.831 11.595 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -24.571 11.730 12.231 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -24.113 11.795 10.541 1.00 12.00 H new ATOM 505 N GLN A 33 -24.555 9.173 10.107 1.00 12.00 N ATOM 506 CA GLN A 33 -25.258 7.899 9.737 1.00 12.00 C ATOM 507 C GLN A 33 -24.402 7.151 8.712 1.00 12.00 C ATOM 508 O GLN A 33 -23.892 6.077 8.982 1.00 12.00 O ATOM 509 CB GLN A 33 -26.625 8.231 9.127 1.00 12.00 C ATOM 510 CG GLN A 33 -27.373 6.938 8.790 1.00 12.00 C ATOM 511 CD GLN A 33 -27.950 6.329 10.070 1.00 12.00 C ATOM 512 OE1 GLN A 33 -28.831 6.898 10.683 1.00 12.00 O ATOM 513 NE2 GLN A 33 -27.489 5.186 10.501 1.00 12.00 N ATOM 0 H GLN A 33 -23.796 9.432 9.477 1.00 12.00 H new ATOM 0 HA GLN A 33 -25.404 7.278 10.621 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -27.210 8.828 9.827 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -26.495 8.832 8.227 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -28.174 7.144 8.080 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -26.697 6.230 8.311 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -26.749 4.708 9.987 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -27.869 4.771 11.352 1.00 12.00 H new ATOM 522 N CYS A 34 -24.247 7.731 7.538 1.00 12.00 N ATOM 523 CA CYS A 34 -23.427 7.102 6.454 1.00 12.00 C ATOM 524 C CYS A 34 -22.909 8.204 5.521 1.00 12.00 C ATOM 525 O CYS A 34 -23.596 9.181 5.273 1.00 12.00 O ATOM 526 CB CYS A 34 -24.285 6.103 5.666 1.00 12.00 C ATOM 527 SG CYS A 34 -25.642 6.971 4.834 1.00 12.00 S ATOM 0 H CYS A 34 -24.663 8.628 7.286 1.00 12.00 H new ATOM 0 HA CYS A 34 -22.583 6.567 6.891 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -23.670 5.583 4.931 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -24.686 5.345 6.339 1.00 12.00 H new ATOM 532 N LYS A 35 -21.700 8.049 5.014 1.00 12.00 N ATOM 533 CA LYS A 35 -21.105 9.083 4.099 1.00 12.00 C ATOM 534 C LYS A 35 -21.899 9.136 2.788 1.00 12.00 C ATOM 535 O LYS A 35 -22.845 8.389 2.599 1.00 12.00 O ATOM 536 CB LYS A 35 -19.638 8.728 3.807 1.00 12.00 C ATOM 537 CG LYS A 35 -18.715 9.618 4.647 1.00 12.00 C ATOM 538 CD LYS A 35 -17.470 9.984 3.835 1.00 12.00 C ATOM 539 CE LYS A 35 -16.360 10.443 4.788 1.00 12.00 C ATOM 540 NZ LYS A 35 -15.039 10.422 4.088 1.00 12.00 N ATOM 0 H LYS A 35 -21.099 7.246 5.197 1.00 12.00 H new ATOM 0 HA LYS A 35 -21.150 10.060 4.581 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.455 7.678 4.037 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.425 8.864 2.747 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -19.243 10.523 4.949 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -18.425 9.098 5.560 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -17.135 9.124 3.255 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.705 10.776 3.124 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -16.573 11.449 5.149 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -16.328 9.792 5.661 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -14.294 10.735 4.743 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -14.833 9.455 3.765 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -15.070 11.061 3.268 1.00 12.00 H new ATOM 554 N ARG A 36 -21.515 10.026 1.893 1.00 12.00 N ATOM 555 CA ARG A 36 -22.233 10.165 0.581 1.00 12.00 C ATOM 556 C ARG A 36 -21.359 9.642 -0.573 1.00 12.00 C ATOM 557 O ARG A 36 -21.631 9.924 -1.729 1.00 12.00 O ATOM 558 CB ARG A 36 -22.558 11.645 0.341 1.00 12.00 C ATOM 559 CG ARG A 36 -21.265 12.476 0.333 1.00 12.00 C ATOM 560 CD ARG A 36 -21.171 13.311 1.615 1.00 12.00 C ATOM 561 NE ARG A 36 -21.964 14.563 1.451 1.00 12.00 N ATOM 562 CZ ARG A 36 -21.601 15.656 2.070 1.00 12.00 C ATOM 563 NH1 ARG A 36 -21.540 15.680 3.374 1.00 12.00 N ATOM 564 NH2 ARG A 36 -21.304 16.726 1.385 1.00 12.00 N ATOM 0 H ARG A 36 -20.730 10.665 2.019 1.00 12.00 H new ATOM 0 HA ARG A 36 -23.151 9.579 0.617 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -23.080 11.761 -0.609 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -23.228 12.009 1.120 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -20.400 11.817 0.254 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -21.249 13.130 -0.539 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -21.546 12.738 2.463 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -20.130 13.553 1.829 1.00 12.00 H new ATOM 0 HE ARG A 36 -22.791 14.567 0.855 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -21.776 14.845 3.911 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -21.257 16.533 3.856 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -21.355 16.710 0.366 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -21.021 17.579 1.868 1.00 12.00 H new ATOM 578 N VAL A 37 -20.321 8.887 -0.266 1.00 12.00 N ATOM 579 CA VAL A 37 -19.425 8.340 -1.342 1.00 12.00 C ATOM 580 C VAL A 37 -18.589 7.186 -0.784 1.00 12.00 C ATOM 581 O VAL A 37 -17.816 7.358 0.144 1.00 12.00 O ATOM 582 CB VAL A 37 -18.503 9.455 -1.886 1.00 12.00 C ATOM 583 CG1 VAL A 37 -17.499 9.913 -0.817 1.00 12.00 C ATOM 584 CG2 VAL A 37 -17.737 8.924 -3.104 1.00 12.00 C ATOM 0 H VAL A 37 -20.058 8.627 0.685 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.040 7.968 -2.161 1.00 12.00 H new ATOM 0 HB VAL A 37 -19.120 10.308 -2.167 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -16.863 10.698 -1.227 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -18.039 10.298 0.048 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -16.881 9.068 -0.512 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -17.085 9.706 -3.493 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -17.136 8.063 -2.809 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -18.445 8.625 -3.877 1.00 12.00 H new ATOM 594 N ASN A 38 -18.736 6.029 -1.376 1.00 12.00 N ATOM 595 CA ASN A 38 -17.957 4.827 -0.950 1.00 12.00 C ATOM 596 C ASN A 38 -17.174 4.330 -2.166 1.00 12.00 C ATOM 597 O ASN A 38 -17.656 3.521 -2.948 1.00 12.00 O ATOM 598 CB ASN A 38 -18.905 3.728 -0.433 1.00 12.00 C ATOM 599 CG ASN A 38 -19.738 4.261 0.741 1.00 12.00 C ATOM 600 OD1 ASN A 38 -20.961 3.830 0.904 1.00 12.00 O flip ATOM 601 ND2 ASN A 38 -19.274 5.071 1.523 1.00 12.00 N flip ATOM 0 H ASN A 38 -19.376 5.863 -2.153 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.276 5.082 -0.138 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.564 3.397 -1.236 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.329 2.859 -0.115 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -18.320 5.410 1.400 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -19.839 5.410 2.301 1.00 12.00 H new ATOM 608 N THR A 39 -15.978 4.849 -2.343 1.00 12.00 N ATOM 609 CA THR A 39 -15.134 4.470 -3.514 1.00 12.00 C ATOM 610 C THR A 39 -14.379 3.174 -3.237 1.00 12.00 C ATOM 611 O THR A 39 -13.416 3.158 -2.487 1.00 12.00 O ATOM 612 CB THR A 39 -14.126 5.587 -3.794 1.00 12.00 C ATOM 613 OG1 THR A 39 -14.800 6.838 -3.825 1.00 12.00 O ATOM 614 CG2 THR A 39 -13.447 5.337 -5.141 1.00 12.00 C ATOM 0 H THR A 39 -15.550 5.528 -1.714 1.00 12.00 H new ATOM 0 HA THR A 39 -15.782 4.322 -4.378 1.00 12.00 H new ATOM 0 HB THR A 39 -13.372 5.601 -3.007 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.154 7.553 -4.003 1.00 12.00 H new ATOM 0 HG21 THR A 39 -12.729 6.133 -5.340 1.00 12.00 H new ATOM 0 HG22 THR A 39 -12.928 4.379 -5.115 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.199 5.321 -5.930 1.00 12.00 H new ATOM 622 N PHE A 40 -14.793 2.104 -3.871 1.00 12.00 N ATOM 623 CA PHE A 40 -14.099 0.789 -3.711 1.00 12.00 C ATOM 624 C PHE A 40 -13.164 0.625 -4.913 1.00 12.00 C ATOM 625 O PHE A 40 -13.350 1.288 -5.919 1.00 12.00 O ATOM 626 CB PHE A 40 -15.141 -0.340 -3.705 1.00 12.00 C ATOM 627 CG PHE A 40 -16.264 -0.022 -2.738 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.978 0.432 -1.441 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.593 -0.196 -3.139 1.00 12.00 C ATOM 630 CE1 PHE A 40 -17.023 0.711 -0.551 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.637 0.085 -2.249 1.00 12.00 C ATOM 632 CZ PHE A 40 -18.351 0.538 -0.956 1.00 12.00 C ATOM 0 H PHE A 40 -15.594 2.087 -4.502 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.539 0.750 -2.777 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.545 -0.475 -4.708 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.666 -1.280 -3.423 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.953 0.566 -1.129 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.814 -0.547 -4.136 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.804 1.060 0.447 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.663 -0.048 -2.560 1.00 12.00 H new ATOM 0 HZ PHE A 40 -19.157 0.754 -0.270 1.00 12.00 H new ATOM 642 N ILE A 41 -12.161 -0.225 -4.825 1.00 12.00 N ATOM 643 CA ILE A 41 -11.226 -0.405 -5.985 1.00 12.00 C ATOM 644 C ILE A 41 -11.080 -1.903 -6.272 1.00 12.00 C ATOM 645 O ILE A 41 -10.821 -2.691 -5.377 1.00 12.00 O ATOM 646 CB ILE A 41 -9.873 0.243 -5.645 1.00 12.00 C ATOM 647 CG1 ILE A 41 -10.060 1.762 -5.556 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.836 -0.071 -6.729 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.681 2.136 -4.205 1.00 12.00 C ATOM 0 H ILE A 41 -11.952 -0.796 -4.006 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.616 0.079 -6.880 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.518 -0.155 -4.694 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -9.099 2.262 -5.675 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -10.701 2.106 -6.368 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.886 0.396 -6.470 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.702 -1.150 -6.802 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.182 0.317 -7.687 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.810 3.217 -4.151 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -11.651 1.649 -4.103 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -10.024 1.808 -3.399 1.00 12.00 H new ATOM 661 N ILE A 42 -11.259 -2.288 -7.522 1.00 12.00 N ATOM 662 CA ILE A 42 -11.148 -3.735 -7.902 1.00 12.00 C ATOM 663 C ILE A 42 -9.781 -3.981 -8.552 1.00 12.00 C ATOM 664 O ILE A 42 -9.537 -3.588 -9.679 1.00 12.00 O ATOM 665 CB ILE A 42 -12.306 -4.125 -8.852 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.132 -5.579 -9.318 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.354 -3.203 -10.078 1.00 12.00 C ATOM 668 CD1 ILE A 42 -13.458 -6.114 -9.867 1.00 12.00 C ATOM 0 H ILE A 42 -11.477 -1.658 -8.294 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.226 -4.361 -7.013 1.00 12.00 H new ATOM 0 HB ILE A 42 -13.241 -4.020 -8.302 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -11.362 -5.634 -10.087 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.796 -6.199 -8.486 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.178 -3.502 -10.726 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.503 -2.173 -9.753 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.415 -3.278 -10.627 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -13.326 -7.145 -10.195 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -14.217 -6.076 -9.086 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -13.776 -5.502 -10.711 1.00 12.00 H new ATOM 680 N SER A 43 -8.893 -4.627 -7.825 1.00 12.00 N ATOM 681 CA SER A 43 -7.516 -4.919 -8.346 1.00 12.00 C ATOM 682 C SER A 43 -6.703 -5.603 -7.239 1.00 12.00 C ATOM 683 O SER A 43 -6.980 -5.416 -6.067 1.00 12.00 O ATOM 684 CB SER A 43 -6.828 -3.607 -8.744 1.00 12.00 C ATOM 685 OG SER A 43 -5.509 -3.883 -9.193 1.00 12.00 O ATOM 0 H SER A 43 -9.068 -4.968 -6.880 1.00 12.00 H new ATOM 0 HA SER A 43 -7.582 -5.570 -9.218 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.395 -3.110 -9.531 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.799 -2.926 -7.893 1.00 12.00 H new ATOM 0 HG SER A 43 -4.930 -3.117 -8.997 1.00 12.00 H new ATOM 691 N SER A 44 -5.702 -6.384 -7.606 1.00 12.00 N ATOM 692 CA SER A 44 -4.856 -7.083 -6.577 1.00 12.00 C ATOM 693 C SER A 44 -4.181 -6.025 -5.688 1.00 12.00 C ATOM 694 O SER A 44 -3.603 -5.067 -6.178 1.00 12.00 O ATOM 695 CB SER A 44 -3.799 -7.951 -7.274 1.00 12.00 C ATOM 696 OG SER A 44 -3.220 -7.220 -8.347 1.00 12.00 O ATOM 0 H SER A 44 -5.437 -6.565 -8.574 1.00 12.00 H new ATOM 0 HA SER A 44 -5.479 -7.730 -5.960 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.028 -8.246 -6.562 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.255 -8.868 -7.648 1.00 12.00 H new ATOM 0 HG SER A 44 -3.091 -6.287 -8.075 1.00 12.00 H new ATOM 702 N ALA A 45 -4.286 -6.187 -4.384 1.00 12.00 N ATOM 703 CA ALA A 45 -3.699 -5.203 -3.416 1.00 12.00 C ATOM 704 C ALA A 45 -2.212 -4.969 -3.691 1.00 12.00 C ATOM 705 O ALA A 45 -1.682 -3.921 -3.358 1.00 12.00 O ATOM 706 CB ALA A 45 -3.861 -5.747 -1.995 1.00 12.00 C ATOM 0 H ALA A 45 -4.763 -6.975 -3.946 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.223 -4.254 -3.530 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.437 -5.038 -1.284 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -4.920 -5.889 -1.778 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.342 -6.702 -1.909 1.00 12.00 H new ATOM 712 N THR A 46 -1.538 -5.941 -4.260 1.00 12.00 N ATOM 713 CA THR A 46 -0.069 -5.795 -4.526 1.00 12.00 C ATOM 714 C THR A 46 0.196 -5.019 -5.826 1.00 12.00 C ATOM 715 O THR A 46 1.182 -4.304 -5.910 1.00 12.00 O ATOM 716 CB THR A 46 0.577 -7.175 -4.563 1.00 12.00 C ATOM 717 OG1 THR A 46 1.963 -7.044 -4.856 1.00 12.00 O ATOM 718 CG2 THR A 46 -0.097 -8.048 -5.625 1.00 12.00 C ATOM 0 H THR A 46 -1.942 -6.831 -4.552 1.00 12.00 H new ATOM 0 HA THR A 46 0.378 -5.215 -3.719 1.00 12.00 H new ATOM 0 HB THR A 46 0.454 -7.650 -3.590 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.378 -7.932 -4.878 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.374 -9.031 -5.641 1.00 12.00 H new ATOM 0 HG22 THR A 46 -1.155 -8.157 -5.388 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.010 -7.579 -6.603 1.00 12.00 H new ATOM 726 N THR A 47 -0.678 -5.109 -6.824 1.00 12.00 N ATOM 727 CA THR A 47 -0.463 -4.317 -8.086 1.00 12.00 C ATOM 728 C THR A 47 -0.535 -2.842 -7.701 1.00 12.00 C ATOM 729 O THR A 47 0.223 -2.019 -8.193 1.00 12.00 O ATOM 730 CB THR A 47 -1.534 -4.634 -9.137 1.00 12.00 C ATOM 731 OG1 THR A 47 -2.798 -4.783 -8.510 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.165 -5.923 -9.876 1.00 12.00 C ATOM 0 H THR A 47 -1.516 -5.690 -6.813 1.00 12.00 H new ATOM 0 HA THR A 47 0.501 -4.571 -8.526 1.00 12.00 H new ATOM 0 HB THR A 47 -1.588 -3.813 -9.852 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.740 -4.477 -7.581 1.00 12.00 H new ATOM 0 HG21 THR A 47 -1.928 -6.146 -10.622 1.00 12.00 H new ATOM 0 HG22 THR A 47 -0.201 -5.797 -10.369 1.00 12.00 H new ATOM 0 HG23 THR A 47 -1.103 -6.746 -9.164 1.00 12.00 H new ATOM 740 N VAL A 48 -1.420 -2.528 -6.775 1.00 12.00 N ATOM 741 CA VAL A 48 -1.543 -1.128 -6.276 1.00 12.00 C ATOM 742 C VAL A 48 -0.294 -0.831 -5.438 1.00 12.00 C ATOM 743 O VAL A 48 0.234 0.267 -5.453 1.00 12.00 O ATOM 744 CB VAL A 48 -2.793 -0.997 -5.398 1.00 12.00 C ATOM 745 CG1 VAL A 48 -3.002 0.473 -5.032 1.00 12.00 C ATOM 746 CG2 VAL A 48 -4.012 -1.509 -6.170 1.00 12.00 C ATOM 0 H VAL A 48 -2.064 -3.193 -6.345 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.630 -0.429 -7.108 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.665 -1.585 -4.489 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.890 0.570 -4.408 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -2.133 0.839 -4.486 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -3.132 1.059 -5.942 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.902 -1.417 -5.547 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -4.142 -0.920 -7.078 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.862 -2.556 -6.435 1.00 12.00 H new ATOM 756 N LYS A 49 0.182 -1.833 -4.720 1.00 12.00 N ATOM 757 CA LYS A 49 1.408 -1.676 -3.877 1.00 12.00 C ATOM 758 C LYS A 49 2.605 -1.339 -4.782 1.00 12.00 C ATOM 759 O LYS A 49 3.581 -0.764 -4.328 1.00 12.00 O ATOM 760 CB LYS A 49 1.671 -2.989 -3.114 1.00 12.00 C ATOM 761 CG LYS A 49 2.953 -2.872 -2.281 1.00 12.00 C ATOM 762 CD LYS A 49 3.337 -4.253 -1.742 1.00 12.00 C ATOM 763 CE LYS A 49 4.823 -4.264 -1.383 1.00 12.00 C ATOM 764 NZ LYS A 49 4.994 -3.814 0.028 1.00 12.00 N ATOM 0 H LYS A 49 -0.238 -2.762 -4.687 1.00 12.00 H new ATOM 0 HA LYS A 49 1.266 -0.869 -3.158 1.00 12.00 H new ATOM 0 HB2 LYS A 49 0.826 -3.215 -2.464 1.00 12.00 H new ATOM 0 HB3 LYS A 49 1.761 -3.816 -3.819 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.761 -2.470 -2.892 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.801 -2.177 -1.456 1.00 12.00 H new ATOM 0 HD2 LYS A 49 2.738 -4.492 -0.863 1.00 12.00 H new ATOM 0 HD3 LYS A 49 3.127 -5.018 -2.489 1.00 12.00 H new ATOM 0 HE2 LYS A 49 5.232 -5.267 -1.509 1.00 12.00 H new ATOM 0 HE3 LYS A 49 5.376 -3.608 -2.055 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.004 -3.821 0.274 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 4.618 -2.850 0.133 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 4.479 -4.457 0.662 1.00 12.00 H new ATOM 778 N ALA A 50 2.532 -1.697 -6.053 1.00 12.00 N ATOM 779 CA ALA A 50 3.653 -1.408 -6.999 1.00 12.00 C ATOM 780 C ALA A 50 3.566 0.047 -7.481 1.00 12.00 C ATOM 781 O ALA A 50 4.583 0.694 -7.671 1.00 12.00 O ATOM 782 CB ALA A 50 3.578 -2.368 -8.197 1.00 12.00 C ATOM 0 H ALA A 50 1.736 -2.179 -6.470 1.00 12.00 H new ATOM 0 HA ALA A 50 4.604 -1.552 -6.487 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.396 -2.156 -8.885 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.658 -3.396 -7.845 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.627 -2.234 -8.712 1.00 12.00 H new ATOM 788 N ILE A 51 2.362 0.562 -7.683 1.00 12.00 N ATOM 789 CA ILE A 51 2.203 1.977 -8.162 1.00 12.00 C ATOM 790 C ILE A 51 2.718 2.959 -7.092 1.00 12.00 C ATOM 791 O ILE A 51 3.184 4.039 -7.416 1.00 12.00 O ATOM 792 CB ILE A 51 0.716 2.238 -8.509 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.578 3.547 -9.323 1.00 12.00 C ATOM 794 CG2 ILE A 51 -0.171 2.287 -7.250 1.00 12.00 C ATOM 795 CD1 ILE A 51 0.801 4.795 -8.451 1.00 12.00 C ATOM 0 H ILE A 51 1.487 0.059 -7.535 1.00 12.00 H new ATOM 0 HA ILE A 51 2.796 2.132 -9.063 1.00 12.00 H new ATOM 0 HB ILE A 51 0.368 1.402 -9.116 1.00 12.00 H new ATOM 0 HG12 ILE A 51 1.299 3.543 -10.141 1.00 12.00 H new ATOM 0 HG13 ILE A 51 -0.414 3.591 -9.772 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -1.205 2.472 -7.540 1.00 12.00 H new ATOM 0 HG22 ILE A 51 -0.107 1.335 -6.723 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.171 3.088 -6.595 1.00 12.00 H new ATOM 0 HD11 ILE A 51 0.695 5.690 -9.063 1.00 12.00 H new ATOM 0 HD12 ILE A 51 0.064 4.815 -7.648 1.00 12.00 H new ATOM 0 HD13 ILE A 51 1.803 4.765 -8.023 1.00 12.00 H new ATOM 807 N CYS A 52 2.639 2.588 -5.829 1.00 12.00 N ATOM 808 CA CYS A 52 3.110 3.488 -4.729 1.00 12.00 C ATOM 809 C CYS A 52 4.538 3.102 -4.306 1.00 12.00 C ATOM 810 O CYS A 52 4.952 3.376 -3.188 1.00 12.00 O ATOM 811 CB CYS A 52 2.155 3.362 -3.530 1.00 12.00 C ATOM 812 SG CYS A 52 1.746 5.005 -2.886 1.00 12.00 S ATOM 0 H CYS A 52 2.265 1.692 -5.516 1.00 12.00 H new ATOM 0 HA CYS A 52 3.118 4.519 -5.082 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.245 2.844 -3.833 1.00 12.00 H new ATOM 0 HB3 CYS A 52 2.618 2.761 -2.748 1.00 12.00 H new ATOM 817 N THR A 53 5.290 2.478 -5.193 1.00 12.00 N ATOM 818 CA THR A 53 6.696 2.077 -4.857 1.00 12.00 C ATOM 819 C THR A 53 7.646 3.230 -5.179 1.00 12.00 C ATOM 820 O THR A 53 7.828 3.582 -6.334 1.00 12.00 O ATOM 821 CB THR A 53 7.104 0.845 -5.676 1.00 12.00 C ATOM 822 OG1 THR A 53 6.118 -0.168 -5.537 1.00 12.00 O ATOM 823 CG2 THR A 53 8.451 0.325 -5.169 1.00 12.00 C ATOM 0 H THR A 53 4.987 2.231 -6.135 1.00 12.00 H new ATOM 0 HA THR A 53 6.751 1.837 -3.795 1.00 12.00 H new ATOM 0 HB THR A 53 7.191 1.118 -6.728 1.00 12.00 H new ATOM 0 HG1 THR A 53 5.461 0.105 -4.863 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.744 -0.550 -5.748 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.206 1.103 -5.279 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.363 0.051 -4.118 1.00 12.00 H new ATOM 831 N GLY A 54 8.249 3.814 -4.163 1.00 12.00 N ATOM 832 CA GLY A 54 9.200 4.951 -4.382 1.00 12.00 C ATOM 833 C GLY A 54 10.125 5.098 -3.168 1.00 12.00 C ATOM 834 O GLY A 54 11.325 4.916 -3.276 1.00 12.00 O ATOM 0 H GLY A 54 8.120 3.547 -3.187 1.00 12.00 H new ATOM 0 HA2 GLY A 54 9.791 4.775 -5.281 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.645 5.875 -4.541 1.00 12.00 H new ATOM 838 N VAL A 55 9.568 5.430 -2.019 1.00 12.00 N ATOM 839 CA VAL A 55 10.390 5.599 -0.778 1.00 12.00 C ATOM 840 C VAL A 55 9.449 5.492 0.452 1.00 12.00 C ATOM 841 O VAL A 55 8.330 5.020 0.319 1.00 12.00 O ATOM 842 CB VAL A 55 11.141 6.954 -0.878 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.252 8.134 -0.463 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.402 6.922 0.001 1.00 12.00 C ATOM 0 H VAL A 55 8.569 5.592 -1.892 1.00 12.00 H new ATOM 0 HA VAL A 55 11.145 4.821 -0.665 1.00 12.00 H new ATOM 0 HB VAL A 55 11.421 7.098 -1.922 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.817 9.062 -0.548 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.380 8.179 -1.115 1.00 12.00 H new ATOM 0 HG13 VAL A 55 9.927 8.000 0.569 1.00 12.00 H new ATOM 0 HG21 VAL A 55 12.923 7.876 -0.075 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.118 6.745 1.038 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.060 6.122 -0.336 1.00 12.00 H new ATOM 854 N ILE A 56 9.886 5.896 1.638 1.00 12.00 N ATOM 855 CA ILE A 56 9.007 5.783 2.861 1.00 12.00 C ATOM 856 C ILE A 56 8.150 7.057 3.058 1.00 12.00 C ATOM 857 O ILE A 56 7.752 7.375 4.167 1.00 12.00 O ATOM 858 CB ILE A 56 9.889 5.551 4.099 1.00 12.00 C ATOM 859 CG1 ILE A 56 10.847 6.735 4.291 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.704 4.269 3.915 1.00 12.00 C ATOM 861 CD1 ILE A 56 11.620 6.574 5.606 1.00 12.00 C ATOM 0 H ILE A 56 10.809 6.296 1.808 1.00 12.00 H new ATOM 0 HA ILE A 56 8.329 4.941 2.723 1.00 12.00 H new ATOM 0 HB ILE A 56 9.249 5.458 4.977 1.00 12.00 H new ATOM 0 HG12 ILE A 56 11.543 6.790 3.454 1.00 12.00 H new ATOM 0 HG13 ILE A 56 10.286 7.670 4.301 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.329 4.106 4.793 1.00 12.00 H new ATOM 0 HG22 ILE A 56 10.028 3.423 3.788 1.00 12.00 H new ATOM 0 HG23 ILE A 56 11.337 4.363 3.032 1.00 12.00 H new ATOM 0 HD11 ILE A 56 12.298 7.418 5.735 1.00 12.00 H new ATOM 0 HD12 ILE A 56 10.918 6.541 6.439 1.00 12.00 H new ATOM 0 HD13 ILE A 56 12.194 5.648 5.579 1.00 12.00 H new ATOM 873 N ASN A 57 7.865 7.764 1.986 1.00 12.00 N ATOM 874 CA ASN A 57 7.036 9.027 2.049 1.00 12.00 C ATOM 875 C ASN A 57 7.055 9.664 0.658 1.00 12.00 C ATOM 876 O ASN A 57 8.111 10.054 0.182 1.00 12.00 O ATOM 877 CB ASN A 57 7.656 10.017 3.035 1.00 12.00 C ATOM 878 CG ASN A 57 6.600 11.027 3.488 1.00 12.00 C ATOM 879 OD1 ASN A 57 5.466 10.670 3.744 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.927 12.286 3.602 1.00 12.00 N ATOM 0 H ASN A 57 8.177 7.517 1.047 1.00 12.00 H new ATOM 0 HA ASN A 57 6.022 8.787 2.370 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.056 9.483 3.897 1.00 12.00 H new ATOM 0 HB3 ASN A 57 8.492 10.536 2.566 1.00 12.00 H new ATOM 0 HD21 ASN A 57 6.232 12.968 3.905 1.00 12.00 H new ATOM 0 HD22 ASN A 57 7.878 12.587 3.388 1.00 12.00 H new ATOM 887 N MET A 58 5.917 9.758 -0.006 1.00 12.00 N ATOM 888 CA MET A 58 5.903 10.355 -1.388 1.00 12.00 C ATOM 889 C MET A 58 4.482 10.709 -1.844 1.00 12.00 C ATOM 890 O MET A 58 3.504 10.461 -1.158 1.00 12.00 O ATOM 891 CB MET A 58 6.501 9.331 -2.365 1.00 12.00 C ATOM 892 CG MET A 58 7.970 9.666 -2.646 1.00 12.00 C ATOM 893 SD MET A 58 8.158 10.127 -4.385 1.00 12.00 S ATOM 894 CE MET A 58 8.207 11.917 -4.137 1.00 12.00 C ATOM 0 H MET A 58 5.010 9.451 0.345 1.00 12.00 H new ATOM 0 HA MET A 58 6.487 11.275 -1.371 1.00 12.00 H new ATOM 0 HB2 MET A 58 6.423 8.328 -1.946 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.935 9.332 -3.297 1.00 12.00 H new ATOM 0 HG2 MET A 58 8.297 10.484 -2.004 1.00 12.00 H new ATOM 0 HG3 MET A 58 8.601 8.808 -2.415 1.00 12.00 H new ATOM 0 HE1 MET A 58 8.321 12.415 -5.100 1.00 12.00 H new ATOM 0 HE2 MET A 58 7.280 12.245 -3.667 1.00 12.00 H new ATOM 0 HE3 MET A 58 9.050 12.172 -3.495 1.00 12.00 H new ATOM 904 N ASN A 59 4.394 11.260 -3.035 1.00 12.00 N ATOM 905 CA ASN A 59 3.082 11.631 -3.656 1.00 12.00 C ATOM 906 C ASN A 59 3.121 11.129 -5.102 1.00 12.00 C ATOM 907 O ASN A 59 3.957 11.566 -5.877 1.00 12.00 O ATOM 908 CB ASN A 59 2.909 13.155 -3.635 1.00 12.00 C ATOM 909 CG ASN A 59 4.148 13.826 -4.234 1.00 12.00 C ATOM 910 OD1 ASN A 59 5.151 13.983 -3.565 1.00 12.00 O ATOM 911 ND2 ASN A 59 4.124 14.236 -5.474 1.00 12.00 N ATOM 0 H ASN A 59 5.204 11.473 -3.618 1.00 12.00 H new ATOM 0 HA ASN A 59 2.248 11.189 -3.110 1.00 12.00 H new ATOM 0 HB2 ASN A 59 2.022 13.437 -4.202 1.00 12.00 H new ATOM 0 HB3 ASN A 59 2.757 13.499 -2.612 1.00 12.00 H new ATOM 0 HD21 ASN A 59 4.945 14.686 -5.878 1.00 12.00 H new ATOM 0 HD22 ASN A 59 3.284 14.106 -6.038 1.00 12.00 H new ATOM 918 N VAL A 60 2.255 10.199 -5.462 1.00 12.00 N ATOM 919 CA VAL A 60 2.276 9.638 -6.851 1.00 12.00 C ATOM 920 C VAL A 60 0.867 9.669 -7.443 1.00 12.00 C ATOM 921 O VAL A 60 -0.099 9.907 -6.738 1.00 12.00 O ATOM 922 CB VAL A 60 2.792 8.189 -6.799 1.00 12.00 C ATOM 923 CG1 VAL A 60 3.089 7.685 -8.212 1.00 12.00 C ATOM 924 CG2 VAL A 60 4.082 8.127 -5.971 1.00 12.00 C ATOM 0 H VAL A 60 1.538 9.809 -4.851 1.00 12.00 H new ATOM 0 HA VAL A 60 2.934 10.237 -7.480 1.00 12.00 H new ATOM 0 HB VAL A 60 2.026 7.563 -6.341 1.00 12.00 H new ATOM 0 HG11 VAL A 60 3.453 6.659 -8.163 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.178 7.718 -8.809 1.00 12.00 H new ATOM 0 HG13 VAL A 60 3.848 8.318 -8.672 1.00 12.00 H new ATOM 0 HG21 VAL A 60 4.443 7.099 -5.937 1.00 12.00 H new ATOM 0 HG22 VAL A 60 4.839 8.763 -6.429 1.00 12.00 H new ATOM 0 HG23 VAL A 60 3.881 8.475 -4.958 1.00 12.00 H new ATOM 934 N LEU A 61 0.758 9.447 -8.737 1.00 12.00 N ATOM 935 CA LEU A 61 -0.572 9.467 -9.418 1.00 12.00 C ATOM 936 C LEU A 61 -0.820 8.125 -10.119 1.00 12.00 C ATOM 937 O LEU A 61 -0.179 7.823 -11.111 1.00 12.00 O ATOM 938 CB LEU A 61 -0.592 10.586 -10.472 1.00 12.00 C ATOM 939 CG LEU A 61 -0.076 11.901 -9.875 1.00 12.00 C ATOM 940 CD1 LEU A 61 1.430 12.032 -10.125 1.00 12.00 C ATOM 941 CD2 LEU A 61 -0.797 13.075 -10.548 1.00 12.00 C ATOM 0 H LEU A 61 1.547 9.251 -9.353 1.00 12.00 H new ATOM 0 HA LEU A 61 -1.348 9.641 -8.673 1.00 12.00 H new ATOM 0 HB2 LEU A 61 0.025 10.301 -11.324 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -1.607 10.723 -10.845 1.00 12.00 H new ATOM 0 HG LEU A 61 -0.267 11.908 -8.802 1.00 12.00 H new ATOM 0 HD11 LEU A 61 1.790 12.968 -9.698 1.00 12.00 H new ATOM 0 HD12 LEU A 61 1.951 11.196 -9.657 1.00 12.00 H new ATOM 0 HD13 LEU A 61 1.623 12.025 -11.198 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -0.435 14.013 -10.128 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -0.600 13.057 -11.620 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -1.870 12.990 -10.375 1.00 12.00 H new ATOM 953 N SER A 62 -1.757 7.330 -9.623 1.00 12.00 N ATOM 954 CA SER A 62 -2.080 6.008 -10.269 1.00 12.00 C ATOM 955 C SER A 62 -2.467 6.259 -11.739 1.00 12.00 C ATOM 956 O SER A 62 -3.625 6.518 -12.051 1.00 12.00 O ATOM 957 CB SER A 62 -3.249 5.357 -9.521 1.00 12.00 C ATOM 958 OG SER A 62 -3.033 5.472 -8.121 1.00 12.00 O ATOM 0 H SER A 62 -2.312 7.545 -8.795 1.00 12.00 H new ATOM 0 HA SER A 62 -1.217 5.343 -10.229 1.00 12.00 H new ATOM 0 HB2 SER A 62 -4.186 5.840 -9.797 1.00 12.00 H new ATOM 0 HB3 SER A 62 -3.336 4.308 -9.802 1.00 12.00 H new ATOM 0 HG SER A 62 -3.690 4.924 -7.643 1.00 12.00 H new ATOM 964 N THR A 63 -1.489 6.205 -12.633 1.00 12.00 N ATOM 965 CA THR A 63 -1.745 6.456 -14.089 1.00 12.00 C ATOM 966 C THR A 63 -2.285 5.183 -14.734 1.00 12.00 C ATOM 967 O THR A 63 -3.312 5.205 -15.393 1.00 12.00 O ATOM 968 CB THR A 63 -0.439 6.868 -14.784 1.00 12.00 C ATOM 969 OG1 THR A 63 0.635 6.087 -14.278 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.152 8.353 -14.534 1.00 12.00 C ATOM 0 H THR A 63 -0.517 5.995 -12.404 1.00 12.00 H new ATOM 0 HA THR A 63 -2.475 7.259 -14.194 1.00 12.00 H new ATOM 0 HB THR A 63 -0.541 6.702 -15.856 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.468 6.349 -14.723 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.776 8.633 -15.032 1.00 12.00 H new ATOM 0 HG22 THR A 63 -0.971 8.954 -14.930 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.057 8.530 -13.463 1.00 12.00 H new ATOM 978 N THR A 64 -1.604 4.071 -14.531 1.00 12.00 N ATOM 979 CA THR A 64 -2.071 2.769 -15.107 1.00 12.00 C ATOM 980 C THR A 64 -3.448 2.467 -14.521 1.00 12.00 C ATOM 981 O THR A 64 -3.575 2.183 -13.345 1.00 12.00 O ATOM 982 CB THR A 64 -1.087 1.649 -14.744 1.00 12.00 C ATOM 983 OG1 THR A 64 0.215 1.994 -15.199 1.00 12.00 O ATOM 984 CG2 THR A 64 -1.523 0.343 -15.411 1.00 12.00 C ATOM 0 H THR A 64 -0.742 4.014 -13.988 1.00 12.00 H new ATOM 0 HA THR A 64 -2.126 2.833 -16.194 1.00 12.00 H new ATOM 0 HB THR A 64 -1.076 1.519 -13.662 1.00 12.00 H new ATOM 0 HG1 THR A 64 0.843 1.279 -14.965 1.00 12.00 H new ATOM 0 HG21 THR A 64 -0.822 -0.450 -15.151 1.00 12.00 H new ATOM 0 HG22 THR A 64 -2.521 0.073 -15.065 1.00 12.00 H new ATOM 0 HG23 THR A 64 -1.537 0.474 -16.493 1.00 12.00 H new ATOM 992 N ARG A 65 -4.476 2.575 -15.336 1.00 12.00 N ATOM 993 CA ARG A 65 -5.894 2.350 -14.878 1.00 12.00 C ATOM 994 C ARG A 65 -6.010 1.166 -13.902 1.00 12.00 C ATOM 995 O ARG A 65 -5.891 0.015 -14.290 1.00 12.00 O ATOM 996 CB ARG A 65 -6.773 2.093 -16.108 1.00 12.00 C ATOM 997 CG ARG A 65 -6.309 0.828 -16.840 1.00 12.00 C ATOM 998 CD ARG A 65 -6.768 0.885 -18.298 1.00 12.00 C ATOM 999 NE ARG A 65 -6.198 -0.272 -19.044 1.00 12.00 N ATOM 1000 CZ ARG A 65 -6.934 -1.325 -19.275 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -7.892 -1.269 -20.159 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -6.712 -2.433 -18.622 1.00 12.00 N ATOM 0 H ARG A 65 -4.391 2.815 -16.324 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.225 3.241 -14.344 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -7.814 1.984 -15.803 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -6.727 2.949 -16.782 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -5.223 0.745 -16.792 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.718 -0.057 -16.353 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -7.857 0.863 -18.349 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -6.446 1.821 -18.755 1.00 12.00 H new ATOM 0 HE ARG A 65 -5.233 -0.241 -19.374 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -8.065 -0.403 -20.669 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -8.468 -2.091 -20.340 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -5.963 -2.476 -17.931 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -7.287 -3.256 -18.803 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.259 1.459 -12.638 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.412 0.363 -11.613 1.00 12.00 C ATOM 1018 C PHE A 66 -7.922 0.050 -11.437 1.00 12.00 C ATOM 1019 O PHE A 66 -8.399 -0.128 -10.332 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.787 0.817 -10.271 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.274 0.678 -10.328 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.665 -0.563 -10.070 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.474 1.786 -10.660 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.273 -0.693 -10.142 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.083 1.646 -10.739 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.484 0.409 -10.480 1.00 12.00 C ATOM 0 H PHE A 66 -6.362 2.406 -12.274 1.00 12.00 H new ATOM 0 HA PHE A 66 -5.897 -0.539 -11.944 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.058 1.853 -10.066 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.185 0.216 -9.453 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.273 -1.418 -9.816 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -3.932 2.744 -10.854 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.809 -1.646 -9.936 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.471 2.496 -11.001 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.411 0.306 -10.541 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.656 -0.014 -12.553 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.152 -0.305 -12.582 1.00 12.00 C ATOM 1038 C GLN A 67 -10.856 -0.090 -11.229 1.00 12.00 C ATOM 1039 O GLN A 67 -10.710 -0.897 -10.322 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.363 -1.752 -13.028 1.00 12.00 C ATOM 1041 CG GLN A 67 -11.804 -1.932 -13.512 1.00 12.00 C ATOM 1042 CD GLN A 67 -11.842 -2.952 -14.652 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -11.237 -2.748 -15.685 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -12.539 -4.046 -14.507 1.00 12.00 N ATOM 0 H GLN A 67 -8.258 0.130 -13.481 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.597 0.404 -13.280 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.666 -2.003 -13.827 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -10.158 -2.432 -12.201 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -12.435 -2.268 -12.689 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -12.206 -0.977 -13.852 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -13.047 -4.216 -13.639 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -12.576 -4.731 -15.262 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.621 0.985 -11.089 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.323 1.242 -9.790 1.00 12.00 C ATOM 1055 C LEU A 68 -13.809 0.848 -9.841 1.00 12.00 C ATOM 1056 O LEU A 68 -14.437 0.813 -10.889 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.210 2.733 -9.382 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.459 3.714 -10.554 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -13.703 3.340 -11.367 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.683 5.111 -9.967 1.00 12.00 C ATOM 0 H LEU A 68 -11.783 1.683 -11.815 1.00 12.00 H new ATOM 0 HA LEU A 68 -11.827 0.618 -9.047 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -12.927 2.939 -8.587 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.217 2.915 -8.971 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.594 3.677 -11.216 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -13.837 4.056 -12.178 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.579 2.340 -11.783 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.580 3.357 -10.719 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -12.861 5.821 -10.775 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.547 5.092 -9.303 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -11.800 5.415 -9.405 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.360 0.601 -8.676 1.00 12.00 N ATOM 1073 CA ASN A 69 -15.814 0.271 -8.531 1.00 12.00 C ATOM 1074 C ASN A 69 -16.380 1.345 -7.598 1.00 12.00 C ATOM 1075 O ASN A 69 -16.219 1.258 -6.389 1.00 12.00 O ATOM 1076 CB ASN A 69 -15.992 -1.112 -7.888 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.362 -1.677 -8.268 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -18.371 -1.268 -7.729 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -17.441 -2.605 -9.181 1.00 12.00 N ATOM 0 H ASN A 69 -13.847 0.615 -7.795 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.317 0.249 -9.498 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.203 -1.785 -8.223 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -15.906 -1.035 -6.804 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -18.350 -2.987 -9.442 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -16.594 -2.949 -9.634 1.00 12.00 H new ATOM 1086 N THR A 70 -16.983 2.385 -8.144 1.00 12.00 N ATOM 1087 CA THR A 70 -17.485 3.501 -7.271 1.00 12.00 C ATOM 1088 C THR A 70 -18.991 3.423 -7.053 1.00 12.00 C ATOM 1089 O THR A 70 -19.775 3.460 -7.986 1.00 12.00 O ATOM 1090 CB THR A 70 -17.142 4.845 -7.923 1.00 12.00 C ATOM 1091 OG1 THR A 70 -15.803 4.811 -8.395 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.293 5.967 -6.895 1.00 12.00 C ATOM 0 H THR A 70 -17.146 2.506 -9.143 1.00 12.00 H new ATOM 0 HA THR A 70 -17.000 3.407 -6.299 1.00 12.00 H new ATOM 0 HB THR A 70 -17.819 5.027 -8.758 1.00 12.00 H new ATOM 0 HG1 THR A 70 -15.582 5.669 -8.814 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.049 6.922 -7.360 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.321 5.992 -6.532 1.00 12.00 H new ATOM 0 HG23 THR A 70 -16.617 5.788 -6.059 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.378 3.389 -5.799 1.00 12.00 N ATOM 1101 CA CYS A 71 -20.822 3.391 -5.423 1.00 12.00 C ATOM 1102 C CYS A 71 -21.041 4.755 -4.784 1.00 12.00 C ATOM 1103 O CYS A 71 -20.515 5.016 -3.717 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.109 2.272 -4.409 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.501 0.688 -5.051 1.00 12.00 S ATOM 0 H CYS A 71 -18.737 3.359 -5.006 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.479 3.219 -6.276 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.627 2.498 -3.458 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.180 2.209 -4.216 1.00 12.00 H new ATOM 1110 N THR A 72 -21.743 5.648 -5.450 1.00 12.00 N ATOM 1111 CA THR A 72 -21.913 7.031 -4.892 1.00 12.00 C ATOM 1112 C THR A 72 -23.358 7.303 -4.475 1.00 12.00 C ATOM 1113 O THR A 72 -24.295 6.931 -5.161 1.00 12.00 O ATOM 1114 CB THR A 72 -21.495 8.056 -5.957 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.321 7.602 -6.620 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.215 9.407 -5.292 1.00 12.00 C ATOM 0 H THR A 72 -22.201 5.480 -6.346 1.00 12.00 H new ATOM 0 HA THR A 72 -21.286 7.116 -4.005 1.00 12.00 H new ATOM 0 HB THR A 72 -22.301 8.170 -6.682 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.056 8.256 -7.300 1.00 12.00 H new ATOM 0 HG21 THR A 72 -20.919 10.131 -6.051 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.115 9.758 -4.787 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.411 9.295 -4.564 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.523 7.985 -3.357 1.00 12.00 N ATOM 1125 CA ARG A 73 -24.885 8.346 -2.859 1.00 12.00 C ATOM 1126 C ARG A 73 -25.519 9.307 -3.865 1.00 12.00 C ATOM 1127 O ARG A 73 -25.007 10.392 -4.092 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.750 9.037 -1.499 1.00 12.00 C ATOM 1129 CG ARG A 73 -26.103 9.059 -0.786 1.00 12.00 C ATOM 1130 CD ARG A 73 -26.243 10.366 -0.003 1.00 12.00 C ATOM 1131 NE ARG A 73 -27.685 10.706 0.140 1.00 12.00 N ATOM 1132 CZ ARG A 73 -28.147 11.105 1.293 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -28.516 10.229 2.185 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -28.240 12.381 1.551 1.00 12.00 N ATOM 0 H ARG A 73 -22.757 8.308 -2.766 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.506 7.457 -2.750 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -24.016 8.513 -0.887 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.384 10.055 -1.634 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.911 8.969 -1.512 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -26.185 8.207 -0.111 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -25.783 10.265 0.980 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -25.718 11.170 -0.519 1.00 12.00 H new ATOM 0 HE ARG A 73 -28.311 10.627 -0.662 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -28.443 9.232 1.981 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -28.877 10.540 3.087 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -27.952 13.065 0.852 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -28.601 12.694 2.452 1.00 12.00 H new ATOM 1148 N THR A 74 -26.614 8.910 -4.475 1.00 12.00 N ATOM 1149 CA THR A 74 -27.289 9.778 -5.485 1.00 12.00 C ATOM 1150 C THR A 74 -28.522 10.444 -4.832 1.00 12.00 C ATOM 1151 O THR A 74 -28.398 11.034 -3.770 1.00 12.00 O ATOM 1152 CB THR A 74 -27.670 8.910 -6.696 1.00 12.00 C ATOM 1153 OG1 THR A 74 -28.511 7.848 -6.268 1.00 12.00 O ATOM 1154 CG2 THR A 74 -26.407 8.334 -7.340 1.00 12.00 C ATOM 0 H THR A 74 -27.070 8.012 -4.311 1.00 12.00 H new ATOM 0 HA THR A 74 -26.629 10.573 -5.831 1.00 12.00 H new ATOM 0 HB THR A 74 -28.197 9.523 -7.427 1.00 12.00 H new ATOM 0 HG1 THR A 74 -28.757 7.294 -7.038 1.00 12.00 H new ATOM 0 HG21 THR A 74 -26.683 7.720 -8.197 1.00 12.00 H new ATOM 0 HG22 THR A 74 -25.763 9.149 -7.670 1.00 12.00 H new ATOM 0 HG23 THR A 74 -25.874 7.722 -6.612 1.00 12.00 H new ATOM 1258 N CYS A 81 -29.538 6.422 2.303 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.163 6.116 1.780 1.00 12.00 C ATOM 1260 C CYS A 81 -28.256 5.243 0.494 1.00 12.00 C ATOM 1261 O CYS A 81 -27.688 4.161 0.440 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.349 5.401 2.871 1.00 12.00 C ATOM 1263 SG CYS A 81 -25.700 6.144 2.989 1.00 12.00 S ATOM 0 HA CYS A 81 -27.659 7.046 1.518 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -27.862 5.477 3.830 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -27.264 4.340 2.638 1.00 12.00 H new ATOM 1268 N PRO A 82 -28.957 5.743 -0.526 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.104 5.023 -1.813 1.00 12.00 C ATOM 1270 C PRO A 82 -27.819 5.164 -2.631 1.00 12.00 C ATOM 1271 O PRO A 82 -27.378 6.268 -2.911 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.278 5.726 -2.496 1.00 12.00 C ATOM 1273 CG PRO A 82 -30.378 7.130 -1.859 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.660 7.050 -0.499 1.00 12.00 C ATOM 0 HA PRO A 82 -29.281 3.954 -1.697 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -30.115 5.798 -3.571 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.203 5.167 -2.351 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -29.913 7.880 -2.499 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -31.420 7.423 -1.730 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.959 7.875 -0.371 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.369 7.103 0.328 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.210 4.052 -2.989 1.00 12.00 N ATOM 1283 CA TYR A 83 -25.922 4.096 -3.771 1.00 12.00 C ATOM 1284 C TYR A 83 -26.080 3.483 -5.160 1.00 12.00 C ATOM 1285 O TYR A 83 -26.697 2.445 -5.335 1.00 12.00 O ATOM 1286 CB TYR A 83 -24.809 3.340 -3.018 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.140 4.274 -2.043 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -24.898 4.998 -1.116 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -22.757 4.438 -2.091 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.266 5.881 -0.236 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.125 5.323 -1.215 1.00 12.00 C ATOM 1292 CZ TYR A 83 -22.880 6.047 -0.286 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.258 6.920 0.583 1.00 12.00 O ATOM 0 H TYR A 83 -27.549 3.114 -2.774 1.00 12.00 H new ATOM 0 HA TYR A 83 -25.653 5.146 -3.882 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.229 2.485 -2.489 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.077 2.950 -3.725 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -25.970 4.875 -1.081 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.173 3.879 -2.807 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -24.850 6.436 0.484 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.053 5.449 -1.255 1.00 12.00 H new ATOM 0 HH TYR A 83 -22.931 7.359 1.144 1.00 12.00 H new ATOM 1303 N SER A 84 -25.481 4.126 -6.139 1.00 12.00 N ATOM 1304 CA SER A 84 -25.517 3.618 -7.552 1.00 12.00 C ATOM 1305 C SER A 84 -24.102 3.155 -7.908 1.00 12.00 C ATOM 1306 O SER A 84 -23.141 3.864 -7.654 1.00 12.00 O ATOM 1307 CB SER A 84 -25.950 4.743 -8.494 1.00 12.00 C ATOM 1308 OG SER A 84 -25.085 5.857 -8.325 1.00 12.00 O ATOM 0 H SER A 84 -24.961 4.995 -6.016 1.00 12.00 H new ATOM 0 HA SER A 84 -26.226 2.796 -7.651 1.00 12.00 H new ATOM 0 HB2 SER A 84 -25.920 4.399 -9.528 1.00 12.00 H new ATOM 0 HB3 SER A 84 -26.980 5.033 -8.284 1.00 12.00 H new ATOM 0 HG SER A 84 -24.244 5.560 -7.919 1.00 12.00 H new ATOM 1314 N SER A 85 -23.965 1.964 -8.454 1.00 12.00 N ATOM 1315 CA SER A 85 -22.605 1.426 -8.785 1.00 12.00 C ATOM 1316 C SER A 85 -22.244 1.670 -10.253 1.00 12.00 C ATOM 1317 O SER A 85 -23.070 1.545 -11.142 1.00 12.00 O ATOM 1318 CB SER A 85 -22.581 -0.078 -8.512 1.00 12.00 C ATOM 1319 OG SER A 85 -23.554 -0.721 -9.328 1.00 12.00 O ATOM 0 H SER A 85 -24.740 1.342 -8.684 1.00 12.00 H new ATOM 0 HA SER A 85 -21.876 1.944 -8.163 1.00 12.00 H new ATOM 0 HB2 SER A 85 -21.590 -0.481 -8.722 1.00 12.00 H new ATOM 0 HB3 SER A 85 -22.788 -0.271 -7.459 1.00 12.00 H new ATOM 0 HG SER A 85 -23.539 -1.686 -9.156 1.00 12.00 H new ATOM 1325 N ARG A 86 -20.989 1.989 -10.491 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.480 2.222 -11.881 1.00 12.00 C ATOM 1327 C ARG A 86 -18.982 1.898 -11.907 1.00 12.00 C ATOM 1328 O ARG A 86 -18.231 2.394 -11.084 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.693 3.682 -12.292 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.662 3.780 -13.821 1.00 12.00 C ATOM 1331 CD ARG A 86 -21.431 5.022 -14.276 1.00 12.00 C ATOM 1332 NE ARG A 86 -21.216 5.237 -15.736 1.00 12.00 N ATOM 1333 CZ ARG A 86 -21.938 6.117 -16.380 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -21.643 7.385 -16.304 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -22.955 5.727 -17.099 1.00 12.00 N ATOM 0 H ARG A 86 -20.284 2.099 -9.762 1.00 12.00 H new ATOM 0 HA ARG A 86 -21.022 1.584 -12.579 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.648 4.045 -11.911 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -19.916 4.312 -11.859 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -19.631 3.831 -14.171 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -21.104 2.886 -14.261 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -22.494 4.900 -14.069 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -21.095 5.895 -13.716 1.00 12.00 H new ATOM 0 HE ARG A 86 -20.506 4.698 -16.232 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -20.849 7.691 -15.742 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -22.207 8.071 -16.807 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -23.187 4.736 -17.159 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -23.518 6.414 -17.601 1.00 12.00 H new ATOM 1349 N THR A 87 -18.552 1.061 -12.832 1.00 12.00 N ATOM 1350 CA THR A 87 -17.100 0.678 -12.910 1.00 12.00 C ATOM 1351 C THR A 87 -16.455 1.300 -14.151 1.00 12.00 C ATOM 1352 O THR A 87 -17.111 1.499 -15.161 1.00 12.00 O ATOM 1353 CB THR A 87 -16.985 -0.846 -12.994 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.883 -1.438 -12.065 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.554 -1.273 -12.665 1.00 12.00 C ATOM 0 H THR A 87 -19.147 0.627 -13.537 1.00 12.00 H new ATOM 0 HA THR A 87 -16.587 1.044 -12.020 1.00 12.00 H new ATOM 0 HB THR A 87 -17.235 -1.174 -14.003 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.812 -2.414 -12.118 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.475 -2.358 -12.726 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.866 -0.819 -13.378 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.300 -0.946 -11.657 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.168 1.595 -14.075 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.446 2.196 -15.244 1.00 12.00 C ATOM 1365 C GLU A 88 -12.946 2.328 -14.932 1.00 12.00 C ATOM 1366 O GLU A 88 -12.460 1.789 -13.951 1.00 12.00 O ATOM 1367 CB GLU A 88 -15.045 3.575 -15.559 1.00 12.00 C ATOM 1368 CG GLU A 88 -14.854 4.522 -14.371 1.00 12.00 C ATOM 1369 CD GLU A 88 -15.276 5.935 -14.776 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -16.389 6.086 -15.251 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -14.477 6.841 -14.608 1.00 12.00 O ATOM 0 H GLU A 88 -14.590 1.442 -13.248 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.562 1.546 -16.111 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -14.568 3.992 -16.446 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -16.106 3.475 -15.786 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -15.447 4.183 -13.522 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -13.811 4.519 -14.053 1.00 12.00 H new ATOM 1378 N THR A 89 -12.226 3.041 -15.773 1.00 12.00 N ATOM 1379 CA THR A 89 -10.752 3.241 -15.580 1.00 12.00 C ATOM 1380 C THR A 89 -10.485 3.883 -14.216 1.00 12.00 C ATOM 1381 O THR A 89 -11.236 4.739 -13.775 1.00 12.00 O ATOM 1382 CB THR A 89 -10.236 4.164 -16.703 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.482 3.547 -17.959 1.00 12.00 O ATOM 1384 CG2 THR A 89 -8.732 4.407 -16.549 1.00 12.00 C ATOM 0 H THR A 89 -12.608 3.500 -16.600 1.00 12.00 H new ATOM 0 HA THR A 89 -10.238 2.281 -15.617 1.00 12.00 H new ATOM 0 HB THR A 89 -10.755 5.120 -16.642 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.158 4.129 -18.678 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.385 5.060 -17.350 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.536 4.878 -15.586 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.202 3.456 -16.602 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.415 3.475 -13.550 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.091 4.071 -12.203 1.00 12.00 C ATOM 1394 C ASN A 90 -7.852 4.970 -12.287 1.00 12.00 C ATOM 1395 O ASN A 90 -6.731 4.551 -12.034 1.00 12.00 O ATOM 1396 CB ASN A 90 -8.870 2.979 -11.150 1.00 12.00 C ATOM 1397 CG ASN A 90 -8.730 3.614 -9.759 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.527 4.585 -9.404 1.00 12.00 O flip ATOM 1399 ND2 ASN A 90 -7.881 3.218 -8.986 1.00 12.00 N flip ATOM 0 H ASN A 90 -8.762 2.764 -13.878 1.00 12.00 H new ATOM 0 HA ASN A 90 -9.946 4.675 -11.900 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.706 2.280 -11.158 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -7.974 2.407 -11.390 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -7.256 2.460 -9.259 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -7.793 3.644 -8.063 1.00 12.00 H new ATOM 1406 N TYR A 91 -8.078 6.220 -12.592 1.00 12.00 N ATOM 1407 CA TYR A 91 -6.976 7.224 -12.655 1.00 12.00 C ATOM 1408 C TYR A 91 -7.106 8.061 -11.388 1.00 12.00 C ATOM 1409 O TYR A 91 -7.984 8.908 -11.299 1.00 12.00 O ATOM 1410 CB TYR A 91 -7.154 8.110 -13.891 1.00 12.00 C ATOM 1411 CG TYR A 91 -5.805 8.524 -14.432 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -4.933 9.288 -13.645 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -5.429 8.149 -15.726 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -3.687 9.676 -14.155 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -4.184 8.536 -16.237 1.00 12.00 C ATOM 1416 CZ TYR A 91 -3.313 9.299 -15.450 1.00 12.00 C ATOM 1417 OH TYR A 91 -2.085 9.681 -15.953 1.00 12.00 O ATOM 0 H TYR A 91 -9.002 6.596 -12.805 1.00 12.00 H new ATOM 0 HA TYR A 91 -5.997 6.750 -12.724 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -7.712 7.571 -14.657 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -7.738 8.994 -13.634 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -5.221 9.578 -12.645 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -6.101 7.560 -16.333 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -3.015 10.266 -13.549 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -3.896 8.246 -17.237 1.00 12.00 H new ATOM 0 HH TYR A 91 -1.769 9.008 -16.592 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.288 7.798 -10.391 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.426 8.551 -9.102 1.00 12.00 C ATOM 1429 C ILE A 92 -5.078 9.033 -8.584 1.00 12.00 C ATOM 1430 O ILE A 92 -4.047 8.817 -9.192 1.00 12.00 O ATOM 1431 CB ILE A 92 -7.081 7.644 -8.055 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -6.386 6.278 -8.039 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -8.558 7.458 -8.405 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -6.577 5.612 -6.674 1.00 12.00 C ATOM 0 H ILE A 92 -5.541 7.104 -10.414 1.00 12.00 H new ATOM 0 HA ILE A 92 -7.046 9.428 -9.287 1.00 12.00 H new ATOM 0 HB ILE A 92 -6.988 8.103 -7.071 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.796 5.642 -8.824 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -5.323 6.399 -8.249 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -9.029 6.813 -7.663 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -9.055 8.428 -8.411 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -8.644 7.000 -9.390 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -6.080 4.642 -6.670 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -6.146 6.244 -5.897 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -7.641 5.476 -6.481 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.110 9.688 -7.449 1.00 12.00 N ATOM 1447 CA CYS A 93 -3.868 10.221 -6.803 1.00 12.00 C ATOM 1448 C CYS A 93 -3.668 9.488 -5.478 1.00 12.00 C ATOM 1449 O CYS A 93 -4.532 9.515 -4.618 1.00 12.00 O ATOM 1450 CB CYS A 93 -4.037 11.722 -6.548 1.00 12.00 C ATOM 1451 SG CYS A 93 -2.422 12.465 -6.213 1.00 12.00 S ATOM 0 H CYS A 93 -5.967 9.880 -6.930 1.00 12.00 H new ATOM 0 HA CYS A 93 -3.003 10.067 -7.448 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -4.496 12.199 -7.414 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -4.706 11.885 -5.703 1.00 12.00 H new ATOM 0 HG CYS A 93 -1.492 11.569 -6.363 1.00 12.00 H new ATOM 1456 N VAL A 94 -2.547 8.816 -5.326 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.275 8.040 -4.075 1.00 12.00 C ATOM 1458 C VAL A 94 -1.069 8.634 -3.331 1.00 12.00 C ATOM 1459 O VAL A 94 -0.358 9.466 -3.867 1.00 12.00 O ATOM 1460 CB VAL A 94 -1.997 6.568 -4.456 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -0.606 6.410 -5.084 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -2.096 5.701 -3.201 1.00 12.00 C ATOM 0 H VAL A 94 -1.804 8.774 -6.024 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.140 8.092 -3.414 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.737 6.253 -5.192 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -0.440 5.364 -5.341 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -0.542 7.020 -5.985 1.00 12.00 H new ATOM 0 HG13 VAL A 94 0.153 6.734 -4.372 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -1.901 4.661 -3.461 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.361 6.036 -2.469 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -3.096 5.788 -2.777 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.834 8.182 -2.113 1.00 12.00 N ATOM 1473 CA LYS A 95 0.332 8.671 -1.327 1.00 12.00 C ATOM 1474 C LYS A 95 1.079 7.454 -0.749 1.00 12.00 C ATOM 1475 O LYS A 95 0.453 6.478 -0.348 1.00 12.00 O ATOM 1476 CB LYS A 95 -0.148 9.607 -0.217 1.00 12.00 C ATOM 1477 CG LYS A 95 -0.377 11.000 -0.812 1.00 12.00 C ATOM 1478 CD LYS A 95 -0.168 12.062 0.269 1.00 12.00 C ATOM 1479 CE LYS A 95 -0.593 13.435 -0.265 1.00 12.00 C ATOM 1480 NZ LYS A 95 0.455 14.443 0.059 1.00 12.00 N ATOM 0 H LYS A 95 -1.411 7.490 -1.635 1.00 12.00 H new ATOM 0 HA LYS A 95 1.013 9.234 -1.965 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -1.070 9.228 0.224 1.00 12.00 H new ATOM 0 HB3 LYS A 95 0.591 9.655 0.583 1.00 12.00 H new ATOM 0 HG2 LYS A 95 0.311 11.170 -1.640 1.00 12.00 H new ATOM 0 HG3 LYS A 95 -1.387 11.072 -1.216 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -0.749 11.811 1.156 1.00 12.00 H new ATOM 0 HD3 LYS A 95 0.879 12.087 0.570 1.00 12.00 H new ATOM 0 HE2 LYS A 95 -0.744 13.386 -1.343 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -1.545 13.730 0.177 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 0.165 15.374 -0.304 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 0.578 14.496 1.090 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 1.354 14.164 -0.383 1.00 12.00 H new ATOM 1494 N CYS A 96 2.405 7.478 -0.741 1.00 12.00 N ATOM 1495 CA CYS A 96 3.179 6.284 -0.248 1.00 12.00 C ATOM 1496 C CYS A 96 3.966 6.535 1.048 1.00 12.00 C ATOM 1497 O CYS A 96 4.869 7.345 1.100 1.00 12.00 O ATOM 1498 CB CYS A 96 4.188 5.849 -1.322 1.00 12.00 C ATOM 1499 SG CYS A 96 3.480 6.038 -2.975 1.00 12.00 S ATOM 0 H CYS A 96 2.974 8.265 -1.052 1.00 12.00 H new ATOM 0 HA CYS A 96 2.433 5.517 -0.039 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.096 6.447 -1.239 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.474 4.810 -1.160 1.00 12.00 H new ATOM 1504 N GLU A 97 3.675 5.734 2.046 1.00 12.00 N ATOM 1505 CA GLU A 97 4.426 5.750 3.345 1.00 12.00 C ATOM 1506 C GLU A 97 4.740 4.272 3.610 1.00 12.00 C ATOM 1507 O GLU A 97 3.942 3.420 3.259 1.00 12.00 O ATOM 1508 CB GLU A 97 3.584 6.351 4.479 1.00 12.00 C ATOM 1509 CG GLU A 97 4.289 6.145 5.826 1.00 12.00 C ATOM 1510 CD GLU A 97 3.723 7.123 6.855 1.00 12.00 C ATOM 1511 OE1 GLU A 97 4.092 8.285 6.805 1.00 12.00 O ATOM 1512 OE2 GLU A 97 2.932 6.693 7.678 1.00 12.00 O ATOM 0 H GLU A 97 2.922 5.046 2.013 1.00 12.00 H new ATOM 0 HA GLU A 97 5.322 6.368 3.296 1.00 12.00 H new ATOM 0 HB2 GLU A 97 3.427 7.415 4.301 1.00 12.00 H new ATOM 0 HB3 GLU A 97 2.600 5.882 4.499 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.149 5.120 6.168 1.00 12.00 H new ATOM 0 HG3 GLU A 97 5.362 6.300 5.714 1.00 12.00 H new ATOM 1519 N ASN A 98 5.893 3.940 4.163 1.00 12.00 N ATOM 1520 CA ASN A 98 6.242 2.475 4.346 1.00 12.00 C ATOM 1521 C ASN A 98 6.094 1.775 2.963 1.00 12.00 C ATOM 1522 O ASN A 98 5.757 0.613 2.864 1.00 12.00 O ATOM 1523 CB ASN A 98 5.290 1.841 5.367 1.00 12.00 C ATOM 1524 CG ASN A 98 5.893 1.971 6.767 1.00 12.00 C ATOM 1525 OD1 ASN A 98 6.776 1.220 7.134 1.00 12.00 O ATOM 1526 ND2 ASN A 98 5.451 2.901 7.568 1.00 12.00 N ATOM 0 H ASN A 98 6.597 4.602 4.491 1.00 12.00 H new ATOM 0 HA ASN A 98 7.261 2.364 4.716 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.318 2.333 5.330 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.125 0.791 5.125 1.00 12.00 H new ATOM 0 HD21 ASN A 98 5.846 2.999 8.503 1.00 12.00 H new ATOM 0 HD22 ASN A 98 4.710 3.530 7.259 1.00 12.00 H new ATOM 1533 N GLN A 99 6.321 2.548 1.910 1.00 12.00 N ATOM 1534 CA GLN A 99 6.215 2.108 0.469 1.00 12.00 C ATOM 1535 C GLN A 99 4.866 1.463 0.086 1.00 12.00 C ATOM 1536 O GLN A 99 4.692 1.059 -1.054 1.00 12.00 O ATOM 1537 CB GLN A 99 7.397 1.208 0.066 1.00 12.00 C ATOM 1538 CG GLN A 99 7.449 -0.049 0.932 1.00 12.00 C ATOM 1539 CD GLN A 99 8.451 -1.038 0.336 1.00 12.00 C ATOM 1540 OE1 GLN A 99 8.169 -1.688 -0.650 1.00 12.00 O ATOM 1541 NE2 GLN A 99 9.620 -1.179 0.898 1.00 12.00 N ATOM 0 H GLN A 99 6.592 3.527 2.004 1.00 12.00 H new ATOM 0 HA GLN A 99 6.262 3.032 -0.108 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.304 0.927 -0.983 1.00 12.00 H new ATOM 0 HB3 GLN A 99 8.331 1.762 0.166 1.00 12.00 H new ATOM 0 HG2 GLN A 99 7.739 0.210 1.950 1.00 12.00 H new ATOM 0 HG3 GLN A 99 6.461 -0.506 0.989 1.00 12.00 H new ATOM 0 HE21 GLN A 99 9.857 -0.633 1.726 1.00 12.00 H new ATOM 0 HE22 GLN A 99 10.297 -1.835 0.509 1.00 12.00 H new ATOM 1550 N TYR A 100 3.894 1.449 0.970 1.00 12.00 N ATOM 1551 CA TYR A 100 2.530 0.934 0.618 1.00 12.00 C ATOM 1552 C TYR A 100 1.622 2.177 0.646 1.00 12.00 C ATOM 1553 O TYR A 100 1.847 3.048 1.468 1.00 12.00 O ATOM 1554 CB TYR A 100 2.089 -0.184 1.629 1.00 12.00 C ATOM 1555 CG TYR A 100 0.918 0.219 2.539 1.00 12.00 C ATOM 1556 CD1 TYR A 100 -0.365 0.455 2.006 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.123 0.355 3.918 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -1.424 0.827 2.843 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.062 0.727 4.753 1.00 12.00 C ATOM 1560 CZ TYR A 100 -1.209 0.965 4.216 1.00 12.00 C ATOM 1561 OH TYR A 100 -2.248 1.333 5.045 1.00 12.00 O ATOM 0 H TYR A 100 3.989 1.776 1.931 1.00 12.00 H new ATOM 0 HA TYR A 100 2.488 0.455 -0.360 1.00 12.00 H new ATOM 0 HB2 TYR A 100 1.809 -1.076 1.068 1.00 12.00 H new ATOM 0 HB3 TYR A 100 2.943 -0.453 2.251 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.533 0.348 0.944 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.101 0.173 4.338 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -2.405 1.007 2.428 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.225 0.831 5.816 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.912 0.613 5.077 1.00 12.00 H new ATOM 1571 N PRO A 101 0.623 2.244 -0.223 1.00 12.00 N ATOM 1572 CA PRO A 101 -0.293 3.404 -0.247 1.00 12.00 C ATOM 1573 C PRO A 101 -1.001 3.501 1.101 1.00 12.00 C ATOM 1574 O PRO A 101 -2.042 2.920 1.303 1.00 12.00 O ATOM 1575 CB PRO A 101 -1.237 3.108 -1.422 1.00 12.00 C ATOM 1576 CG PRO A 101 -1.136 1.588 -1.673 1.00 12.00 C ATOM 1577 CD PRO A 101 0.280 1.191 -1.214 1.00 12.00 C ATOM 0 HA PRO A 101 0.192 4.370 -0.389 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -2.260 3.397 -1.183 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.945 3.671 -2.309 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.897 1.046 -1.112 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -1.288 1.353 -2.726 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.295 0.197 -0.767 1.00 12.00 H new ATOM 0 HD3 PRO A 101 0.984 1.176 -2.046 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.398 4.223 2.025 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.970 4.366 3.408 1.00 12.00 C ATOM 1587 C VAL A 102 -1.987 5.502 3.446 1.00 12.00 C ATOM 1588 O VAL A 102 -2.828 5.551 4.328 1.00 12.00 O ATOM 1589 CB VAL A 102 0.167 4.684 4.399 1.00 12.00 C ATOM 1590 CG1 VAL A 102 -0.406 4.936 5.803 1.00 12.00 C ATOM 1591 CG2 VAL A 102 1.148 3.509 4.462 1.00 12.00 C ATOM 0 H VAL A 102 0.477 4.725 1.876 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.462 3.433 3.683 1.00 12.00 H new ATOM 0 HB VAL A 102 0.686 5.578 4.055 1.00 12.00 H new ATOM 0 HG11 VAL A 102 0.407 5.159 6.493 1.00 12.00 H new ATOM 0 HG12 VAL A 102 -1.095 5.780 5.769 1.00 12.00 H new ATOM 0 HG13 VAL A 102 -0.937 4.047 6.144 1.00 12.00 H new ATOM 0 HG21 VAL A 102 1.949 3.741 5.164 1.00 12.00 H new ATOM 0 HG22 VAL A 102 0.622 2.614 4.794 1.00 12.00 H new ATOM 0 HG23 VAL A 102 1.572 3.335 3.473 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.890 6.419 2.522 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.819 7.582 2.506 1.00 12.00 C ATOM 1603 C HIS A 103 -3.307 7.748 1.081 1.00 12.00 C ATOM 1604 O HIS A 103 -2.547 7.525 0.154 1.00 12.00 O ATOM 1605 CB HIS A 103 -2.093 8.876 2.984 1.00 12.00 C ATOM 1606 CG HIS A 103 -0.622 8.615 3.270 1.00 12.00 C ATOM 1607 ND1 HIS A 103 0.386 8.111 2.484 1.00 12.00 N flip ATOM 1608 CD2 HIS A 103 -0.045 8.844 4.512 1.00 12.00 C flip ATOM 1609 CE1 HIS A 103 1.558 8.028 3.213 1.00 12.00 C flip ATOM 1610 NE2 HIS A 103 1.251 8.474 4.427 1.00 12.00 N flip ATOM 0 H HIS A 103 -1.200 6.411 1.771 1.00 12.00 H new ATOM 0 HA HIS A 103 -3.655 7.410 3.184 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -2.185 9.649 2.221 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -2.578 9.256 3.883 1.00 12.00 H new ATOM 0 HD2 HIS A 103 -0.541 9.244 5.384 1.00 12.00 H new ATOM 0 HE1 HIS A 103 2.519 7.676 2.869 1.00 12.00 H new ATOM 0 HE2 HIS A 103 1.914 8.530 5.200 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.556 8.123 0.888 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.062 8.282 -0.512 1.00 12.00 C ATOM 1620 C PHE A 104 -5.512 9.723 -0.755 1.00 12.00 C ATOM 1621 O PHE A 104 -6.274 10.280 0.015 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.207 7.292 -0.803 1.00 12.00 C ATOM 1623 CG PHE A 104 -5.760 6.420 -1.946 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.425 7.018 -3.160 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -5.618 5.039 -1.782 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -4.957 6.247 -4.215 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -5.139 4.263 -2.842 1.00 12.00 C ATOM 1628 CZ PHE A 104 -4.810 4.869 -4.058 1.00 12.00 C ATOM 0 H PHE A 104 -5.232 8.321 1.626 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.246 8.056 -1.198 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.428 6.689 0.078 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.121 7.826 -1.061 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -5.530 8.086 -3.280 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -5.877 4.574 -0.842 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -4.707 6.714 -5.156 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -5.023 3.196 -2.721 1.00 12.00 H new ATOM 0 HZ PHE A 104 -4.441 4.269 -4.877 1.00 12.00 H new ATOM 1638 N ALA A 105 -5.021 10.323 -1.825 1.00 12.00 N ATOM 1639 CA ALA A 105 -5.384 11.745 -2.150 1.00 12.00 C ATOM 1640 C ALA A 105 -6.827 11.821 -2.673 1.00 12.00 C ATOM 1641 O ALA A 105 -7.569 12.710 -2.289 1.00 12.00 O ATOM 1642 CB ALA A 105 -4.414 12.313 -3.198 1.00 12.00 C ATOM 0 H ALA A 105 -4.382 9.884 -2.488 1.00 12.00 H new ATOM 0 HA ALA A 105 -5.309 12.340 -1.240 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -4.687 13.343 -3.426 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -3.397 12.285 -2.806 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -4.469 11.714 -4.107 1.00 12.00 H new ATOM 1648 N GLY A 106 -7.234 10.895 -3.528 1.00 12.00 N ATOM 1649 CA GLY A 106 -8.638 10.914 -4.060 1.00 12.00 C ATOM 1650 C GLY A 106 -8.649 10.779 -5.589 1.00 12.00 C ATOM 1651 O GLY A 106 -8.045 9.879 -6.147 1.00 12.00 O ATOM 0 H GLY A 106 -6.652 10.133 -3.875 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -9.210 10.100 -3.615 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -9.128 11.843 -3.770 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.361 11.668 -6.256 1.00 12.00 N ATOM 1656 CA ILE A 107 -9.474 11.627 -7.750 1.00 12.00 C ATOM 1657 C ILE A 107 -8.087 11.781 -8.402 1.00 12.00 C ATOM 1658 O ILE A 107 -7.126 12.152 -7.750 1.00 12.00 O ATOM 1659 CB ILE A 107 -10.429 12.747 -8.206 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -10.773 12.564 -9.684 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -9.791 14.127 -7.996 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -12.148 13.173 -9.964 1.00 12.00 C ATOM 0 H ILE A 107 -9.875 12.431 -5.816 1.00 12.00 H new ATOM 0 HA ILE A 107 -9.876 10.663 -8.063 1.00 12.00 H new ATOM 0 HB ILE A 107 -11.338 12.688 -7.607 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -10.017 13.043 -10.307 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -10.773 11.505 -9.940 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -10.483 14.902 -8.325 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -9.566 14.267 -6.939 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -8.870 14.194 -8.575 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -12.395 13.044 -11.018 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -12.899 12.674 -9.351 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -12.131 14.236 -9.723 1.00 12.00 H new ATOM 1674 N GLY A 108 -7.993 11.481 -9.685 1.00 12.00 N ATOM 1675 CA GLY A 108 -6.691 11.580 -10.430 1.00 12.00 C ATOM 1676 C GLY A 108 -6.044 12.948 -10.206 1.00 12.00 C ATOM 1677 O GLY A 108 -4.875 13.032 -9.861 1.00 12.00 O ATOM 0 H GLY A 108 -8.779 11.167 -10.254 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -6.015 10.793 -10.097 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -6.862 11.423 -11.495 1.00 12.00 H new