USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.12) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0.106 USER MOD Set 2.2: A 84 SER OG : rot 106:sc= 0.111 USER MOD Set 3.1: A 44 SER OG : rot -150:sc= 0.976 USER MOD Set 3.2: A 47 THR OG1 : rot 165:sc= 1.04 USER MOD Set 4.1: A 23 MET CE :methyl -169:sc=-0.00823 (180deg=0) USER MOD Set 4.2: A 38 ASN : amide:sc= -4.76 K(o=-3.7,f=-4.6!) USER MOD Set 4.3: A 83 TYR OH : rot -43:sc= 1.05 USER MOD Set 5.1: A 20 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Set 5.2: A 21 THR OG1 : rot 180:sc=-0.00418 USER MOD Set 6.1: A 10 HIS : no HE2:sc= -11.1! C(o=-12!,f=-12!) USER MOD Set 6.2: A 62 SER OG : rot -160:sc= -0.414 USER MOD Single : A 2 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.6) USER MOD Single : A 5 THR OG1 : rot -91:sc= 0.0545 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.889 K(o=-0.89,f=-5.8!) USER MOD Single : A 14 THR OG1 : rot 41:sc= -1.39 USER MOD Single : A 18 ASN : amide:sc= -1.05 K(o=-1.1,f=-1.9) USER MOD Single : A 25 ASN : amide:sc= -2.97! X(o=-3!,f=-2.8) USER MOD Single : A 26 ASN : amide:sc= -0.0058 X(o=-0.0058,f=-0.029) USER MOD Single : A 28 TYR OH : rot 120:sc= -0.0103 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 43 SER OG : rot 170:sc= -0.0834 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 -160:sc= -1.02 USER MOD Single : A 57 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.00027) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 85 SER OG : rot -92:sc= 1.56 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -6.79! C(o=-6.8!,f=-8.7!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.384 USER MOD Single : A 93 CYS SG : rot 180:sc= -0.308 USER MOD Single : A 95 LYS NZ :NH3+ -132:sc= -0.687 (180deg=-3.62!) USER MOD Single : A 98 ASN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 99 GLN : amide:sc= -2.24! K(o=-2.2!,f=0) USER MOD Single : A 100 TYR OH : rot -29:sc= -4.8! USER MOD Single : A 103 HIS : no HE2:sc= -13.9! C(o=-14!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 2 -3.237 0.911 7.449 1.00 12.00 N ATOM 16 CA ASN A 2 -2.510 -0.398 7.384 1.00 12.00 C ATOM 17 C ASN A 2 -2.785 -1.054 6.012 1.00 12.00 C ATOM 18 O ASN A 2 -3.649 -0.616 5.281 1.00 12.00 O ATOM 19 CB ASN A 2 -2.997 -1.272 8.557 1.00 12.00 C ATOM 20 CG ASN A 2 -2.404 -2.685 8.487 1.00 12.00 C ATOM 21 OD1 ASN A 2 -1.203 -2.850 8.403 1.00 12.00 O ATOM 22 ND2 ASN A 2 -3.200 -3.718 8.543 1.00 12.00 N ATOM 0 HA ASN A 2 -1.432 -0.268 7.476 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -2.717 -0.805 9.501 1.00 12.00 H new ATOM 0 HB3 ASN A 2 -4.085 -1.331 8.541 1.00 12.00 H new ATOM 0 HD21 ASN A 2 -2.814 -4.662 8.516 1.00 12.00 H new ATOM 0 HD22 ASN A 2 -4.208 -3.582 8.614 1.00 12.00 H new ATOM 29 N TRP A 3 -2.029 -2.074 5.655 1.00 12.00 N ATOM 30 CA TRP A 3 -2.200 -2.764 4.313 1.00 12.00 C ATOM 31 C TRP A 3 -3.553 -3.521 4.264 1.00 12.00 C ATOM 32 O TRP A 3 -4.058 -3.800 3.196 1.00 12.00 O ATOM 33 CB TRP A 3 -1.062 -3.789 4.126 1.00 12.00 C ATOM 34 CG TRP A 3 -0.290 -3.640 2.835 1.00 12.00 C ATOM 35 CD1 TRP A 3 1.055 -3.506 2.799 1.00 12.00 C ATOM 36 CD2 TRP A 3 -0.729 -3.667 1.424 1.00 12.00 C ATOM 37 NE1 TRP A 3 1.480 -3.480 1.489 1.00 12.00 N ATOM 38 CE2 TRP A 3 0.428 -3.575 0.604 1.00 12.00 C ATOM 39 CE3 TRP A 3 -1.980 -3.767 0.770 1.00 12.00 C ATOM 40 CZ2 TRP A 3 0.354 -3.597 -0.788 1.00 12.00 C ATOM 41 CZ3 TRP A 3 -2.053 -3.787 -0.638 1.00 12.00 C ATOM 42 CH2 TRP A 3 -0.886 -3.711 -1.414 1.00 12.00 C ATOM 0 H TRP A 3 -1.291 -2.467 6.239 1.00 12.00 H new ATOM 0 HA TRP A 3 -2.176 -2.011 3.525 1.00 12.00 H new ATOM 0 HB2 TRP A 3 -0.368 -3.699 4.962 1.00 12.00 H new ATOM 0 HB3 TRP A 3 -1.484 -4.793 4.168 1.00 12.00 H new ATOM 0 HD1 TRP A 3 1.697 -3.431 3.664 1.00 12.00 H new ATOM 0 HE1 TRP A 3 2.457 -3.400 1.208 1.00 12.00 H new ATOM 0 HE3 TRP A 3 -2.886 -3.829 1.354 1.00 12.00 H new ATOM 0 HZ2 TRP A 3 1.255 -3.526 -1.379 1.00 12.00 H new ATOM 0 HZ3 TRP A 3 -3.015 -3.861 -1.123 1.00 12.00 H new ATOM 0 HH2 TRP A 3 -0.949 -3.741 -2.492 1.00 12.00 H new ATOM 53 N ALA A 4 -4.111 -3.885 5.410 1.00 12.00 N ATOM 54 CA ALA A 4 -5.411 -4.660 5.438 1.00 12.00 C ATOM 55 C ALA A 4 -6.602 -3.728 5.166 1.00 12.00 C ATOM 56 O ALA A 4 -7.319 -3.891 4.184 1.00 12.00 O ATOM 57 CB ALA A 4 -5.576 -5.319 6.810 1.00 12.00 C ATOM 0 H ALA A 4 -3.720 -3.678 6.329 1.00 12.00 H new ATOM 0 HA ALA A 4 -5.384 -5.424 4.661 1.00 12.00 H new ATOM 0 HB1 ALA A 4 -6.511 -5.878 6.835 1.00 12.00 H new ATOM 0 HB2 ALA A 4 -4.742 -5.998 6.990 1.00 12.00 H new ATOM 0 HB3 ALA A 4 -5.592 -4.551 7.583 1.00 12.00 H new ATOM 63 N THR A 5 -6.804 -2.747 6.020 1.00 12.00 N ATOM 64 CA THR A 5 -7.923 -1.767 5.823 1.00 12.00 C ATOM 65 C THR A 5 -7.679 -1.056 4.494 1.00 12.00 C ATOM 66 O THR A 5 -8.606 -0.746 3.762 1.00 12.00 O ATOM 67 CB THR A 5 -7.940 -0.738 6.965 1.00 12.00 C ATOM 68 OG1 THR A 5 -6.629 -0.564 7.488 1.00 12.00 O ATOM 69 CG2 THR A 5 -8.876 -1.218 8.076 1.00 12.00 C ATOM 0 H THR A 5 -6.236 -2.584 6.851 1.00 12.00 H new ATOM 0 HA THR A 5 -8.883 -2.284 5.819 1.00 12.00 H new ATOM 0 HB THR A 5 -8.296 0.216 6.576 1.00 12.00 H new ATOM 0 HG1 THR A 5 -6.486 -1.190 8.229 1.00 12.00 H new ATOM 0 HG21 THR A 5 -8.886 -0.487 8.884 1.00 12.00 H new ATOM 0 HG22 THR A 5 -9.884 -1.333 7.678 1.00 12.00 H new ATOM 0 HG23 THR A 5 -8.525 -2.177 8.458 1.00 12.00 H new ATOM 77 N PHE A 6 -6.418 -0.840 4.175 1.00 12.00 N ATOM 78 CA PHE A 6 -6.054 -0.199 2.885 1.00 12.00 C ATOM 79 C PHE A 6 -6.272 -1.215 1.765 1.00 12.00 C ATOM 80 O PHE A 6 -6.569 -0.843 0.648 1.00 12.00 O ATOM 81 CB PHE A 6 -4.606 0.266 2.909 1.00 12.00 C ATOM 82 CG PHE A 6 -4.341 1.060 1.653 1.00 12.00 C ATOM 83 CD1 PHE A 6 -4.161 0.384 0.446 1.00 12.00 C ATOM 84 CD2 PHE A 6 -4.304 2.468 1.682 1.00 12.00 C ATOM 85 CE1 PHE A 6 -3.948 1.092 -0.728 1.00 12.00 C ATOM 86 CE2 PHE A 6 -4.083 3.180 0.499 1.00 12.00 C ATOM 87 CZ PHE A 6 -3.912 2.491 -0.706 1.00 12.00 C ATOM 0 H PHE A 6 -5.625 -1.087 4.767 1.00 12.00 H new ATOM 0 HA PHE A 6 -6.680 0.678 2.718 1.00 12.00 H new ATOM 0 HB2 PHE A 6 -4.419 0.878 3.791 1.00 12.00 H new ATOM 0 HB3 PHE A 6 -3.933 -0.590 2.966 1.00 12.00 H new ATOM 0 HD1 PHE A 6 -4.188 -0.695 0.425 1.00 12.00 H new ATOM 0 HD2 PHE A 6 -4.446 2.995 2.614 1.00 12.00 H new ATOM 0 HE1 PHE A 6 -3.810 0.563 -1.660 1.00 12.00 H new ATOM 0 HE2 PHE A 6 -4.044 4.259 0.516 1.00 12.00 H new ATOM 0 HZ PHE A 6 -3.752 3.040 -1.622 1.00 12.00 H new ATOM 97 N GLN A 7 -6.169 -2.505 2.065 1.00 12.00 N ATOM 98 CA GLN A 7 -6.415 -3.564 1.015 1.00 12.00 C ATOM 99 C GLN A 7 -7.765 -3.273 0.370 1.00 12.00 C ATOM 100 O GLN A 7 -7.957 -3.485 -0.814 1.00 12.00 O ATOM 101 CB GLN A 7 -6.450 -4.965 1.638 1.00 12.00 C ATOM 102 CG GLN A 7 -6.532 -6.009 0.520 1.00 12.00 C ATOM 103 CD GLN A 7 -6.850 -7.382 1.116 1.00 12.00 C ATOM 104 OE1 GLN A 7 -8.001 -7.717 1.320 1.00 12.00 O ATOM 105 NE2 GLN A 7 -5.873 -8.197 1.400 1.00 12.00 N ATOM 0 H GLN A 7 -5.926 -2.865 2.988 1.00 12.00 H new ATOM 0 HA GLN A 7 -5.609 -3.540 0.282 1.00 12.00 H new ATOM 0 HB2 GLN A 7 -5.558 -5.130 2.242 1.00 12.00 H new ATOM 0 HB3 GLN A 7 -7.308 -5.059 2.304 1.00 12.00 H new ATOM 0 HG2 GLN A 7 -7.302 -5.727 -0.198 1.00 12.00 H new ATOM 0 HG3 GLN A 7 -5.588 -6.048 -0.024 1.00 12.00 H new ATOM 0 HE21 GLN A 7 -4.908 -7.915 1.229 1.00 12.00 H new ATOM 0 HE22 GLN A 7 -6.074 -9.116 1.794 1.00 12.00 H new ATOM 114 N GLN A 8 -8.674 -2.745 1.158 1.00 12.00 N ATOM 115 CA GLN A 8 -10.012 -2.362 0.635 1.00 12.00 C ATOM 116 C GLN A 8 -9.855 -1.031 -0.108 1.00 12.00 C ATOM 117 O GLN A 8 -10.414 -0.833 -1.178 1.00 12.00 O ATOM 118 CB GLN A 8 -10.987 -2.188 1.806 1.00 12.00 C ATOM 119 CG GLN A 8 -11.857 -3.437 1.934 1.00 12.00 C ATOM 120 CD GLN A 8 -11.133 -4.481 2.785 1.00 12.00 C ATOM 121 OE1 GLN A 8 -10.086 -4.970 2.408 1.00 12.00 O ATOM 122 NE2 GLN A 8 -11.651 -4.848 3.924 1.00 12.00 N ATOM 0 H GLN A 8 -8.537 -2.564 2.152 1.00 12.00 H new ATOM 0 HA GLN A 8 -10.401 -3.130 -0.033 1.00 12.00 H new ATOM 0 HB2 GLN A 8 -10.435 -2.020 2.731 1.00 12.00 H new ATOM 0 HB3 GLN A 8 -11.613 -1.311 1.645 1.00 12.00 H new ATOM 0 HG2 GLN A 8 -12.813 -3.181 2.390 1.00 12.00 H new ATOM 0 HG3 GLN A 8 -12.073 -3.845 0.947 1.00 12.00 H new ATOM 0 HE21 GLN A 8 -12.530 -4.438 4.240 1.00 12.00 H new ATOM 0 HE22 GLN A 8 -11.178 -5.545 4.498 1.00 12.00 H new ATOM 131 N LYS A 9 -9.083 -0.123 0.473 1.00 12.00 N ATOM 132 CA LYS A 9 -8.840 1.230 -0.140 1.00 12.00 C ATOM 133 C LYS A 9 -8.555 1.114 -1.651 1.00 12.00 C ATOM 134 O LYS A 9 -9.217 1.751 -2.455 1.00 12.00 O ATOM 135 CB LYS A 9 -7.663 1.921 0.581 1.00 12.00 C ATOM 136 CG LYS A 9 -7.494 3.344 0.043 1.00 12.00 C ATOM 137 CD LYS A 9 -8.357 4.312 0.860 1.00 12.00 C ATOM 138 CE LYS A 9 -9.792 4.300 0.327 1.00 12.00 C ATOM 139 NZ LYS A 9 -10.356 5.678 0.393 1.00 12.00 N ATOM 0 H LYS A 9 -8.605 -0.271 1.362 1.00 12.00 H new ATOM 0 HA LYS A 9 -9.740 1.833 -0.019 1.00 12.00 H new ATOM 0 HB2 LYS A 9 -7.847 1.947 1.655 1.00 12.00 H new ATOM 0 HB3 LYS A 9 -6.746 1.352 0.428 1.00 12.00 H new ATOM 0 HG2 LYS A 9 -6.447 3.641 0.097 1.00 12.00 H new ATOM 0 HG3 LYS A 9 -7.783 3.382 -1.007 1.00 12.00 H new ATOM 0 HD2 LYS A 9 -8.347 4.024 1.911 1.00 12.00 H new ATOM 0 HD3 LYS A 9 -7.945 5.320 0.801 1.00 12.00 H new ATOM 0 HE2 LYS A 9 -9.807 3.938 -0.701 1.00 12.00 H new ATOM 0 HE3 LYS A 9 -10.404 3.616 0.915 1.00 12.00 H new ATOM 0 HZ1 LYS A 9 -11.331 5.672 0.031 1.00 12.00 H new ATOM 0 HZ2 LYS A 9 -10.355 6.007 1.380 1.00 12.00 H new ATOM 0 HZ3 LYS A 9 -9.776 6.319 -0.186 1.00 12.00 H new ATOM 153 N HIS A 10 -7.590 0.301 -2.037 1.00 12.00 N ATOM 154 CA HIS A 10 -7.263 0.121 -3.493 1.00 12.00 C ATOM 155 C HIS A 10 -7.952 -1.122 -4.065 1.00 12.00 C ATOM 156 O HIS A 10 -7.973 -1.289 -5.275 1.00 12.00 O ATOM 157 CB HIS A 10 -5.738 -0.036 -3.704 1.00 12.00 C ATOM 158 CG HIS A 10 -5.147 1.185 -4.358 1.00 12.00 C ATOM 159 ND1 HIS A 10 -5.601 1.659 -5.581 1.00 12.00 N ATOM 160 CD2 HIS A 10 -4.082 1.982 -4.020 1.00 12.00 C ATOM 161 CE1 HIS A 10 -4.811 2.692 -5.935 1.00 12.00 C ATOM 162 NE2 HIS A 10 -3.872 2.931 -5.016 1.00 12.00 N ATOM 0 H HIS A 10 -7.013 -0.248 -1.400 1.00 12.00 H new ATOM 0 HA HIS A 10 -7.621 1.012 -4.009 1.00 12.00 H new ATOM 0 HB2 HIS A 10 -5.252 -0.208 -2.744 1.00 12.00 H new ATOM 0 HB3 HIS A 10 -5.543 -0.913 -4.322 1.00 12.00 H new ATOM 0 HD1 HIS A 10 -6.389 1.292 -6.115 1.00 12.00 H new ATOM 0 HD2 HIS A 10 -3.496 1.887 -3.118 1.00 12.00 H new ATOM 0 HE1 HIS A 10 -4.923 3.257 -6.849 1.00 12.00 H new ATOM 170 N ILE A 11 -8.453 -2.023 -3.230 1.00 12.00 N ATOM 171 CA ILE A 11 -9.052 -3.279 -3.792 1.00 12.00 C ATOM 172 C ILE A 11 -10.336 -3.743 -3.076 1.00 12.00 C ATOM 173 O ILE A 11 -10.307 -4.608 -2.207 1.00 12.00 O ATOM 174 CB ILE A 11 -8.003 -4.408 -3.709 1.00 12.00 C ATOM 175 CG1 ILE A 11 -6.640 -3.919 -4.236 1.00 12.00 C ATOM 176 CG2 ILE A 11 -8.480 -5.631 -4.509 1.00 12.00 C ATOM 177 CD1 ILE A 11 -6.699 -3.656 -5.749 1.00 12.00 C ATOM 0 H ILE A 11 -8.470 -1.941 -2.213 1.00 12.00 H new ATOM 0 HA ILE A 11 -9.335 -3.054 -4.820 1.00 12.00 H new ATOM 0 HB ILE A 11 -7.883 -4.697 -2.665 1.00 12.00 H new ATOM 0 HG12 ILE A 11 -6.351 -3.006 -3.715 1.00 12.00 H new ATOM 0 HG13 ILE A 11 -5.874 -4.665 -4.022 1.00 12.00 H new ATOM 0 HG21 ILE A 11 -7.733 -6.422 -4.444 1.00 12.00 H new ATOM 0 HG22 ILE A 11 -9.424 -5.989 -4.098 1.00 12.00 H new ATOM 0 HG23 ILE A 11 -8.622 -5.350 -5.553 1.00 12.00 H new ATOM 0 HD11 ILE A 11 -5.725 -3.312 -6.097 1.00 12.00 H new ATOM 0 HD12 ILE A 11 -6.965 -4.577 -6.268 1.00 12.00 H new ATOM 0 HD13 ILE A 11 -7.449 -2.893 -5.957 1.00 12.00 H new ATOM 189 N ILE A 12 -11.468 -3.239 -3.509 1.00 12.00 N ATOM 190 CA ILE A 12 -12.775 -3.707 -2.961 1.00 12.00 C ATOM 191 C ILE A 12 -13.274 -4.763 -3.962 1.00 12.00 C ATOM 192 O ILE A 12 -14.226 -4.547 -4.695 1.00 12.00 O ATOM 193 CB ILE A 12 -13.774 -2.549 -2.895 1.00 12.00 C ATOM 194 CG1 ILE A 12 -13.164 -1.372 -2.116 1.00 12.00 C ATOM 195 CG2 ILE A 12 -15.067 -3.024 -2.222 1.00 12.00 C ATOM 196 CD1 ILE A 12 -12.920 -1.770 -0.654 1.00 12.00 C ATOM 0 H ILE A 12 -11.539 -2.517 -4.226 1.00 12.00 H new ATOM 0 HA ILE A 12 -12.670 -4.104 -1.951 1.00 12.00 H new ATOM 0 HB ILE A 12 -14.005 -2.212 -3.906 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -12.225 -1.068 -2.579 1.00 12.00 H new ATOM 0 HG13 ILE A 12 -13.833 -0.513 -2.159 1.00 12.00 H new ATOM 0 HG21 ILE A 12 -15.777 -2.199 -2.176 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -15.498 -3.842 -2.799 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -14.846 -3.370 -1.212 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -12.488 -0.927 -0.115 1.00 12.00 H new ATOM 0 HD12 ILE A 12 -13.866 -2.051 -0.191 1.00 12.00 H new ATOM 0 HD13 ILE A 12 -12.233 -2.615 -0.617 1.00 12.00 H new ATOM 208 N ASN A 13 -12.580 -5.885 -4.029 1.00 12.00 N ATOM 209 CA ASN A 13 -12.931 -6.967 -5.006 1.00 12.00 C ATOM 210 C ASN A 13 -14.291 -7.594 -4.655 1.00 12.00 C ATOM 211 O ASN A 13 -14.379 -8.623 -4.002 1.00 12.00 O ATOM 212 CB ASN A 13 -11.824 -8.038 -5.015 1.00 12.00 C ATOM 213 CG ASN A 13 -11.683 -8.690 -3.633 1.00 12.00 C ATOM 214 OD1 ASN A 13 -11.880 -8.055 -2.615 1.00 12.00 O ATOM 215 ND2 ASN A 13 -11.343 -9.949 -3.558 1.00 12.00 N ATOM 0 H ASN A 13 -11.776 -6.094 -3.438 1.00 12.00 H new ATOM 0 HA ASN A 13 -13.009 -6.532 -6.002 1.00 12.00 H new ATOM 0 HB2 ASN A 13 -12.055 -8.800 -5.759 1.00 12.00 H new ATOM 0 HB3 ASN A 13 -10.876 -7.585 -5.306 1.00 12.00 H new ATOM 0 HD21 ASN A 13 -11.243 -10.397 -2.647 1.00 12.00 H new ATOM 0 HD22 ASN A 13 -11.177 -10.484 -4.410 1.00 12.00 H new ATOM 222 N THR A 14 -15.345 -6.966 -5.114 1.00 12.00 N ATOM 223 CA THR A 14 -16.735 -7.462 -4.876 1.00 12.00 C ATOM 224 C THR A 14 -17.637 -6.816 -5.957 1.00 12.00 C ATOM 225 O THR A 14 -18.522 -6.035 -5.641 1.00 12.00 O ATOM 226 CB THR A 14 -17.202 -7.067 -3.462 1.00 12.00 C ATOM 227 OG1 THR A 14 -16.674 -5.791 -3.121 1.00 12.00 O ATOM 228 CG2 THR A 14 -16.725 -8.113 -2.449 1.00 12.00 C ATOM 0 H THR A 14 -15.297 -6.105 -5.659 1.00 12.00 H new ATOM 0 HA THR A 14 -16.783 -8.549 -4.942 1.00 12.00 H new ATOM 0 HB THR A 14 -18.291 -7.021 -3.443 1.00 12.00 H new ATOM 0 HG1 THR A 14 -16.724 -5.198 -3.899 1.00 12.00 H new ATOM 0 HG21 THR A 14 -17.057 -7.830 -1.450 1.00 12.00 H new ATOM 0 HG22 THR A 14 -17.141 -9.087 -2.708 1.00 12.00 H new ATOM 0 HG23 THR A 14 -15.637 -8.167 -2.467 1.00 12.00 H new ATOM 236 N PRO A 15 -17.369 -7.139 -7.224 1.00 12.00 N ATOM 237 CA PRO A 15 -18.126 -6.567 -8.355 1.00 12.00 C ATOM 238 C PRO A 15 -19.529 -7.183 -8.432 1.00 12.00 C ATOM 239 O PRO A 15 -19.769 -8.139 -9.153 1.00 12.00 O ATOM 240 CB PRO A 15 -17.271 -6.906 -9.584 1.00 12.00 C ATOM 241 CG PRO A 15 -16.376 -8.098 -9.183 1.00 12.00 C ATOM 242 CD PRO A 15 -16.311 -8.100 -7.646 1.00 12.00 C ATOM 0 HA PRO A 15 -18.291 -5.493 -8.265 1.00 12.00 H new ATOM 0 HB2 PRO A 15 -17.901 -7.164 -10.435 1.00 12.00 H new ATOM 0 HB3 PRO A 15 -16.666 -6.050 -9.883 1.00 12.00 H new ATOM 0 HG2 PRO A 15 -16.790 -9.036 -9.555 1.00 12.00 H new ATOM 0 HG3 PRO A 15 -15.380 -7.996 -9.613 1.00 12.00 H new ATOM 0 HD2 PRO A 15 -16.496 -9.096 -7.243 1.00 12.00 H new ATOM 0 HD3 PRO A 15 -15.329 -7.789 -7.290 1.00 12.00 H new ATOM 250 N ILE A 16 -20.451 -6.616 -7.683 1.00 12.00 N ATOM 251 CA ILE A 16 -21.862 -7.111 -7.671 1.00 12.00 C ATOM 252 C ILE A 16 -22.809 -5.910 -7.774 1.00 12.00 C ATOM 253 O ILE A 16 -22.374 -4.787 -7.980 1.00 12.00 O ATOM 254 CB ILE A 16 -22.135 -7.877 -6.368 1.00 12.00 C ATOM 255 CG1 ILE A 16 -21.636 -7.065 -5.165 1.00 12.00 C ATOM 256 CG2 ILE A 16 -21.405 -9.220 -6.411 1.00 12.00 C ATOM 257 CD1 ILE A 16 -22.040 -7.770 -3.869 1.00 12.00 C ATOM 0 H ILE A 16 -20.278 -5.818 -7.071 1.00 12.00 H new ATOM 0 HA ILE A 16 -22.023 -7.783 -8.514 1.00 12.00 H new ATOM 0 HB ILE A 16 -23.208 -8.041 -6.267 1.00 12.00 H new ATOM 0 HG12 ILE A 16 -20.552 -6.957 -5.210 1.00 12.00 H new ATOM 0 HG13 ILE A 16 -22.058 -6.060 -5.191 1.00 12.00 H new ATOM 0 HG21 ILE A 16 -21.596 -9.768 -5.488 1.00 12.00 H new ATOM 0 HG22 ILE A 16 -21.764 -9.802 -7.259 1.00 12.00 H new ATOM 0 HG23 ILE A 16 -20.334 -9.049 -6.516 1.00 12.00 H new ATOM 0 HD11 ILE A 16 -21.685 -7.193 -3.015 1.00 12.00 H new ATOM 0 HD12 ILE A 16 -23.126 -7.855 -3.824 1.00 12.00 H new ATOM 0 HD13 ILE A 16 -21.597 -8.766 -3.843 1.00 12.00 H new ATOM 269 N ILE A 17 -24.098 -6.142 -7.638 1.00 12.00 N ATOM 270 CA ILE A 17 -25.094 -5.025 -7.733 1.00 12.00 C ATOM 271 C ILE A 17 -25.490 -4.564 -6.320 1.00 12.00 C ATOM 272 O ILE A 17 -26.611 -4.137 -6.082 1.00 12.00 O ATOM 273 CB ILE A 17 -26.327 -5.521 -8.498 1.00 12.00 C ATOM 274 CG1 ILE A 17 -26.917 -6.746 -7.784 1.00 12.00 C ATOM 275 CG2 ILE A 17 -25.916 -5.908 -9.923 1.00 12.00 C ATOM 276 CD1 ILE A 17 -28.444 -6.661 -7.797 1.00 12.00 C ATOM 0 H ILE A 17 -24.502 -7.062 -7.465 1.00 12.00 H new ATOM 0 HA ILE A 17 -24.657 -4.180 -8.264 1.00 12.00 H new ATOM 0 HB ILE A 17 -27.076 -4.730 -8.535 1.00 12.00 H new ATOM 0 HG12 ILE A 17 -26.589 -7.661 -8.278 1.00 12.00 H new ATOM 0 HG13 ILE A 17 -26.554 -6.791 -6.757 1.00 12.00 H new ATOM 0 HG21 ILE A 17 -26.790 -6.261 -10.470 1.00 12.00 H new ATOM 0 HG22 ILE A 17 -25.497 -5.038 -10.430 1.00 12.00 H new ATOM 0 HG23 ILE A 17 -25.168 -6.700 -9.884 1.00 12.00 H new ATOM 0 HD11 ILE A 17 -28.861 -7.531 -7.290 1.00 12.00 H new ATOM 0 HD12 ILE A 17 -28.762 -5.754 -7.283 1.00 12.00 H new ATOM 0 HD13 ILE A 17 -28.798 -6.637 -8.828 1.00 12.00 H new ATOM 288 N ASN A 18 -24.565 -4.649 -5.388 1.00 12.00 N ATOM 289 CA ASN A 18 -24.847 -4.223 -3.974 1.00 12.00 C ATOM 290 C ASN A 18 -23.582 -3.601 -3.366 1.00 12.00 C ATOM 291 O ASN A 18 -22.716 -4.303 -2.865 1.00 12.00 O ATOM 292 CB ASN A 18 -25.270 -5.449 -3.153 1.00 12.00 C ATOM 293 CG ASN A 18 -26.476 -6.119 -3.815 1.00 12.00 C ATOM 294 OD1 ASN A 18 -26.342 -7.147 -4.449 1.00 12.00 O ATOM 295 ND2 ASN A 18 -27.657 -5.579 -3.691 1.00 12.00 N ATOM 0 H ASN A 18 -23.620 -4.998 -5.547 1.00 12.00 H new ATOM 0 HA ASN A 18 -25.649 -3.485 -3.964 1.00 12.00 H new ATOM 0 HB2 ASN A 18 -24.443 -6.155 -3.082 1.00 12.00 H new ATOM 0 HB3 ASN A 18 -25.521 -5.149 -2.136 1.00 12.00 H new ATOM 0 HD21 ASN A 18 -28.467 -6.020 -4.126 1.00 12.00 H new ATOM 0 HD22 ASN A 18 -27.770 -4.716 -3.159 1.00 12.00 H new ATOM 302 N CYS A 19 -23.474 -2.287 -3.413 1.00 12.00 N ATOM 303 CA CYS A 19 -22.262 -1.597 -2.840 1.00 12.00 C ATOM 304 C CYS A 19 -22.384 -1.461 -1.313 1.00 12.00 C ATOM 305 O CYS A 19 -21.470 -0.970 -0.676 1.00 12.00 O ATOM 306 CB CYS A 19 -22.101 -0.193 -3.444 1.00 12.00 C ATOM 307 SG CYS A 19 -22.217 -0.274 -5.247 1.00 12.00 S ATOM 0 H CYS A 19 -24.170 -1.664 -3.822 1.00 12.00 H new ATOM 0 HA CYS A 19 -21.392 -2.206 -3.086 1.00 12.00 H new ATOM 0 HB2 CYS A 19 -22.872 0.470 -3.052 1.00 12.00 H new ATOM 0 HB3 CYS A 19 -21.139 0.229 -3.152 1.00 12.00 H new ATOM 312 N ASN A 20 -23.496 -1.877 -0.726 1.00 12.00 N ATOM 313 CA ASN A 20 -23.669 -1.748 0.767 1.00 12.00 C ATOM 314 C ASN A 20 -22.948 -2.883 1.503 1.00 12.00 C ATOM 315 O ASN A 20 -22.202 -2.633 2.438 1.00 12.00 O ATOM 316 CB ASN A 20 -25.162 -1.770 1.131 1.00 12.00 C ATOM 317 CG ASN A 20 -25.864 -2.946 0.449 1.00 12.00 C ATOM 318 OD1 ASN A 20 -26.299 -2.839 -0.681 1.00 12.00 O ATOM 319 ND2 ASN A 20 -25.996 -4.076 1.091 1.00 12.00 N ATOM 0 H ASN A 20 -24.286 -2.298 -1.216 1.00 12.00 H new ATOM 0 HA ASN A 20 -23.232 -0.798 1.075 1.00 12.00 H new ATOM 0 HB2 ASN A 20 -25.277 -1.848 2.212 1.00 12.00 H new ATOM 0 HB3 ASN A 20 -25.630 -0.834 0.827 1.00 12.00 H new ATOM 0 HD21 ASN A 20 -26.463 -4.865 0.644 1.00 12.00 H new ATOM 0 HD22 ASN A 20 -25.632 -4.169 2.039 1.00 12.00 H new ATOM 326 N THR A 21 -23.171 -4.120 1.105 1.00 12.00 N ATOM 327 CA THR A 21 -22.514 -5.275 1.796 1.00 12.00 C ATOM 328 C THR A 21 -20.989 -5.195 1.641 1.00 12.00 C ATOM 329 O THR A 21 -20.263 -5.781 2.429 1.00 12.00 O ATOM 330 CB THR A 21 -23.041 -6.600 1.215 1.00 12.00 C ATOM 331 OG1 THR A 21 -24.461 -6.571 1.207 1.00 12.00 O ATOM 332 CG2 THR A 21 -22.564 -7.774 2.079 1.00 12.00 C ATOM 0 H THR A 21 -23.782 -4.375 0.329 1.00 12.00 H new ATOM 0 HA THR A 21 -22.754 -5.233 2.858 1.00 12.00 H new ATOM 0 HB THR A 21 -22.665 -6.725 0.200 1.00 12.00 H new ATOM 0 HG1 THR A 21 -24.803 -7.411 0.837 1.00 12.00 H new ATOM 0 HG21 THR A 21 -22.940 -8.709 1.663 1.00 12.00 H new ATOM 0 HG22 THR A 21 -21.474 -7.796 2.094 1.00 12.00 H new ATOM 0 HG23 THR A 21 -22.938 -7.653 3.096 1.00 12.00 H new ATOM 340 N ILE A 22 -20.496 -4.472 0.646 1.00 12.00 N ATOM 341 CA ILE A 22 -19.013 -4.354 0.457 1.00 12.00 C ATOM 342 C ILE A 22 -18.465 -3.216 1.326 1.00 12.00 C ATOM 343 O ILE A 22 -17.388 -3.331 1.887 1.00 12.00 O ATOM 344 CB ILE A 22 -18.681 -4.109 -1.019 1.00 12.00 C ATOM 345 CG1 ILE A 22 -19.359 -2.830 -1.514 1.00 12.00 C ATOM 346 CG2 ILE A 22 -19.186 -5.292 -1.842 1.00 12.00 C ATOM 347 CD1 ILE A 22 -18.880 -2.518 -2.934 1.00 12.00 C ATOM 0 H ILE A 22 -21.060 -3.964 -0.036 1.00 12.00 H new ATOM 0 HA ILE A 22 -18.542 -5.288 0.764 1.00 12.00 H new ATOM 0 HB ILE A 22 -17.602 -4.002 -1.129 1.00 12.00 H new ATOM 0 HG12 ILE A 22 -20.442 -2.951 -1.502 1.00 12.00 H new ATOM 0 HG13 ILE A 22 -19.124 -2.000 -0.848 1.00 12.00 H new ATOM 0 HG21 ILE A 22 -18.955 -5.128 -2.895 1.00 12.00 H new ATOM 0 HG22 ILE A 22 -18.699 -6.206 -1.502 1.00 12.00 H new ATOM 0 HG23 ILE A 22 -20.265 -5.387 -1.718 1.00 12.00 H new ATOM 0 HD11 ILE A 22 -19.362 -1.607 -3.289 1.00 12.00 H new ATOM 0 HD12 ILE A 22 -17.799 -2.379 -2.931 1.00 12.00 H new ATOM 0 HD13 ILE A 22 -19.138 -3.346 -3.595 1.00 12.00 H new ATOM 359 N MET A 23 -19.203 -2.126 1.444 1.00 12.00 N ATOM 360 CA MET A 23 -18.737 -0.973 2.280 1.00 12.00 C ATOM 361 C MET A 23 -19.260 -1.112 3.721 1.00 12.00 C ATOM 362 O MET A 23 -19.154 -0.184 4.506 1.00 12.00 O ATOM 363 CB MET A 23 -19.222 0.352 1.664 1.00 12.00 C ATOM 364 CG MET A 23 -20.753 0.451 1.714 1.00 12.00 C ATOM 365 SD MET A 23 -21.312 1.681 0.507 1.00 12.00 S ATOM 366 CE MET A 23 -22.002 2.867 1.685 1.00 12.00 C ATOM 0 H MET A 23 -20.108 -1.991 0.994 1.00 12.00 H new ATOM 0 HA MET A 23 -17.647 -0.974 2.305 1.00 12.00 H new ATOM 0 HB2 MET A 23 -18.782 1.191 2.203 1.00 12.00 H new ATOM 0 HB3 MET A 23 -18.882 0.423 0.631 1.00 12.00 H new ATOM 0 HG2 MET A 23 -21.199 -0.519 1.495 1.00 12.00 H new ATOM 0 HG3 MET A 23 -21.078 0.733 2.715 1.00 12.00 H new ATOM 0 HE1 MET A 23 -22.578 3.620 1.148 1.00 12.00 H new ATOM 0 HE2 MET A 23 -22.652 2.346 2.388 1.00 12.00 H new ATOM 0 HE3 MET A 23 -21.192 3.351 2.231 1.00 12.00 H new ATOM 376 N ASP A 24 -19.810 -2.264 4.073 1.00 12.00 N ATOM 377 CA ASP A 24 -20.330 -2.474 5.467 1.00 12.00 C ATOM 378 C ASP A 24 -19.141 -2.456 6.438 1.00 12.00 C ATOM 379 O ASP A 24 -18.525 -3.480 6.699 1.00 12.00 O ATOM 380 CB ASP A 24 -21.057 -3.830 5.543 1.00 12.00 C ATOM 381 CG ASP A 24 -22.523 -3.709 5.071 1.00 12.00 C ATOM 382 OD1 ASP A 24 -22.972 -2.605 4.793 1.00 12.00 O ATOM 383 OD2 ASP A 24 -23.177 -4.738 5.002 1.00 12.00 O ATOM 0 H ASP A 24 -19.919 -3.065 3.450 1.00 12.00 H new ATOM 0 HA ASP A 24 -21.033 -1.684 5.733 1.00 12.00 H new ATOM 0 HB2 ASP A 24 -20.533 -4.561 4.926 1.00 12.00 H new ATOM 0 HB3 ASP A 24 -21.032 -4.201 6.568 1.00 12.00 H new ATOM 388 N ASN A 25 -18.805 -1.290 6.952 1.00 12.00 N ATOM 389 CA ASN A 25 -17.648 -1.165 7.890 1.00 12.00 C ATOM 390 C ASN A 25 -17.601 0.255 8.454 1.00 12.00 C ATOM 391 O ASN A 25 -18.011 1.201 7.800 1.00 12.00 O ATOM 392 CB ASN A 25 -16.348 -1.444 7.120 1.00 12.00 C ATOM 393 CG ASN A 25 -15.145 -1.482 8.076 1.00 12.00 C ATOM 394 OD1 ASN A 25 -15.280 -1.778 9.249 1.00 12.00 O ATOM 395 ND2 ASN A 25 -13.957 -1.204 7.613 1.00 12.00 N ATOM 0 H ASN A 25 -19.291 -0.415 6.756 1.00 12.00 H new ATOM 0 HA ASN A 25 -17.758 -1.878 8.707 1.00 12.00 H new ATOM 0 HB2 ASN A 25 -16.429 -2.394 6.593 1.00 12.00 H new ATOM 0 HB3 ASN A 25 -16.194 -0.673 6.365 1.00 12.00 H new ATOM 0 HD21 ASN A 25 -13.148 -1.235 8.233 1.00 12.00 H new ATOM 0 HD22 ASN A 25 -13.838 -0.955 6.631 1.00 12.00 H new ATOM 402 N ASN A 26 -17.089 0.404 9.658 1.00 12.00 N ATOM 403 CA ASN A 26 -16.985 1.760 10.289 1.00 12.00 C ATOM 404 C ASN A 26 -15.910 2.594 9.574 1.00 12.00 C ATOM 405 O ASN A 26 -15.786 3.781 9.831 1.00 12.00 O ATOM 406 CB ASN A 26 -16.605 1.600 11.764 1.00 12.00 C ATOM 407 CG ASN A 26 -17.625 0.698 12.460 1.00 12.00 C ATOM 408 OD1 ASN A 26 -18.814 0.943 12.396 1.00 12.00 O ATOM 409 ND2 ASN A 26 -17.210 -0.345 13.127 1.00 12.00 N ATOM 0 H ASN A 26 -16.737 -0.362 10.232 1.00 12.00 H new ATOM 0 HA ASN A 26 -17.945 2.270 10.205 1.00 12.00 H new ATOM 0 HB2 ASN A 26 -15.607 1.170 11.849 1.00 12.00 H new ATOM 0 HB3 ASN A 26 -16.575 2.575 12.250 1.00 12.00 H new ATOM 0 HD21 ASN A 26 -17.883 -0.953 13.593 1.00 12.00 H new ATOM 0 HD22 ASN A 26 -16.213 -0.552 13.182 1.00 12.00 H new ATOM 416 N ILE A 27 -15.132 1.987 8.685 1.00 12.00 N ATOM 417 CA ILE A 27 -14.064 2.751 7.960 1.00 12.00 C ATOM 418 C ILE A 27 -14.636 3.376 6.663 1.00 12.00 C ATOM 419 O ILE A 27 -13.884 3.852 5.828 1.00 12.00 O ATOM 420 CB ILE A 27 -12.868 1.791 7.683 1.00 12.00 C ATOM 421 CG1 ILE A 27 -11.548 2.523 7.963 1.00 12.00 C ATOM 422 CG2 ILE A 27 -12.860 1.250 6.240 1.00 12.00 C ATOM 423 CD1 ILE A 27 -11.404 3.734 7.036 1.00 12.00 C ATOM 0 H ILE A 27 -15.198 1.000 8.438 1.00 12.00 H new ATOM 0 HA ILE A 27 -13.704 3.579 8.570 1.00 12.00 H new ATOM 0 HB ILE A 27 -12.981 0.935 8.348 1.00 12.00 H new ATOM 0 HG12 ILE A 27 -11.518 2.847 9.003 1.00 12.00 H new ATOM 0 HG13 ILE A 27 -10.709 1.843 7.817 1.00 12.00 H new ATOM 0 HG21 ILE A 27 -12.005 0.587 6.105 1.00 12.00 H new ATOM 0 HG22 ILE A 27 -13.781 0.697 6.053 1.00 12.00 H new ATOM 0 HG23 ILE A 27 -12.788 2.082 5.540 1.00 12.00 H new ATOM 0 HD11 ILE A 27 -10.463 4.243 7.246 1.00 12.00 H new ATOM 0 HD12 ILE A 27 -11.412 3.401 5.998 1.00 12.00 H new ATOM 0 HD13 ILE A 27 -12.234 4.421 7.203 1.00 12.00 H new ATOM 435 N TYR A 28 -15.950 3.370 6.497 1.00 12.00 N ATOM 436 CA TYR A 28 -16.571 3.957 5.256 1.00 12.00 C ATOM 437 C TYR A 28 -17.865 4.736 5.616 1.00 12.00 C ATOM 438 O TYR A 28 -18.944 4.419 5.124 1.00 12.00 O ATOM 439 CB TYR A 28 -16.910 2.816 4.275 1.00 12.00 C ATOM 440 CG TYR A 28 -15.666 2.376 3.552 1.00 12.00 C ATOM 441 CD1 TYR A 28 -14.993 3.270 2.711 1.00 12.00 C ATOM 442 CD2 TYR A 28 -15.189 1.070 3.717 1.00 12.00 C ATOM 443 CE1 TYR A 28 -13.841 2.859 2.039 1.00 12.00 C ATOM 444 CE2 TYR A 28 -14.036 0.660 3.041 1.00 12.00 C ATOM 445 CZ TYR A 28 -13.362 1.555 2.201 1.00 12.00 C ATOM 446 OH TYR A 28 -12.228 1.147 1.530 1.00 12.00 O ATOM 0 H TYR A 28 -16.614 2.984 7.168 1.00 12.00 H new ATOM 0 HA TYR A 28 -15.865 4.648 4.794 1.00 12.00 H new ATOM 0 HB2 TYR A 28 -17.343 1.975 4.817 1.00 12.00 H new ATOM 0 HB3 TYR A 28 -17.659 3.152 3.557 1.00 12.00 H new ATOM 0 HD1 TYR A 28 -15.365 4.276 2.582 1.00 12.00 H new ATOM 0 HD2 TYR A 28 -15.710 0.381 4.365 1.00 12.00 H new ATOM 0 HE1 TYR A 28 -13.319 3.549 1.393 1.00 12.00 H new ATOM 0 HE2 TYR A 28 -13.665 -0.347 3.167 1.00 12.00 H new ATOM 0 HH TYR A 28 -11.545 0.875 2.178 1.00 12.00 H new ATOM 456 N ILE A 29 -17.782 5.753 6.471 1.00 12.00 N ATOM 457 CA ILE A 29 -19.020 6.524 6.842 1.00 12.00 C ATOM 458 C ILE A 29 -18.678 7.983 7.123 1.00 12.00 C ATOM 459 O ILE A 29 -17.625 8.293 7.655 1.00 12.00 O ATOM 460 CB ILE A 29 -19.651 5.927 8.104 1.00 12.00 C ATOM 461 CG1 ILE A 29 -19.818 4.411 7.941 1.00 12.00 C ATOM 462 CG2 ILE A 29 -21.021 6.578 8.336 1.00 12.00 C ATOM 463 CD1 ILE A 29 -20.372 3.811 9.238 1.00 12.00 C ATOM 0 H ILE A 29 -16.921 6.071 6.916 1.00 12.00 H new ATOM 0 HA ILE A 29 -19.717 6.464 6.006 1.00 12.00 H new ATOM 0 HB ILE A 29 -19.003 6.119 8.959 1.00 12.00 H new ATOM 0 HG12 ILE A 29 -20.493 4.197 7.112 1.00 12.00 H new ATOM 0 HG13 ILE A 29 -18.859 3.954 7.698 1.00 12.00 H new ATOM 0 HG21 ILE A 29 -21.476 6.158 9.233 1.00 12.00 H new ATOM 0 HG22 ILE A 29 -20.896 7.653 8.462 1.00 12.00 H new ATOM 0 HG23 ILE A 29 -21.665 6.386 7.478 1.00 12.00 H new ATOM 0 HD11 ILE A 29 -20.490 2.734 9.119 1.00 12.00 H new ATOM 0 HD12 ILE A 29 -19.681 4.013 10.056 1.00 12.00 H new ATOM 0 HD13 ILE A 29 -21.340 4.259 9.462 1.00 12.00 H new ATOM 475 N VAL A 30 -19.593 8.868 6.796 1.00 12.00 N ATOM 476 CA VAL A 30 -19.390 10.329 7.062 1.00 12.00 C ATOM 477 C VAL A 30 -20.400 10.743 8.165 1.00 12.00 C ATOM 478 O VAL A 30 -20.916 9.880 8.863 1.00 12.00 O ATOM 479 CB VAL A 30 -19.546 11.106 5.728 1.00 12.00 C ATOM 480 CG1 VAL A 30 -21.013 11.316 5.357 1.00 12.00 C ATOM 481 CG2 VAL A 30 -18.831 12.461 5.819 1.00 12.00 C ATOM 0 H VAL A 30 -20.481 8.636 6.351 1.00 12.00 H new ATOM 0 HA VAL A 30 -18.391 10.562 7.430 1.00 12.00 H new ATOM 0 HB VAL A 30 -19.089 10.503 4.943 1.00 12.00 H new ATOM 0 HG11 VAL A 30 -21.076 11.864 4.417 1.00 12.00 H new ATOM 0 HG12 VAL A 30 -21.502 10.348 5.246 1.00 12.00 H new ATOM 0 HG13 VAL A 30 -21.509 11.886 6.143 1.00 12.00 H new ATOM 0 HG21 VAL A 30 -18.947 12.998 4.877 1.00 12.00 H new ATOM 0 HG22 VAL A 30 -19.266 13.048 6.627 1.00 12.00 H new ATOM 0 HG23 VAL A 30 -17.771 12.301 6.017 1.00 12.00 H new ATOM 491 N GLY A 31 -20.650 12.024 8.372 1.00 12.00 N ATOM 492 CA GLY A 31 -21.582 12.442 9.478 1.00 12.00 C ATOM 493 C GLY A 31 -23.003 12.719 8.973 1.00 12.00 C ATOM 494 O GLY A 31 -23.474 13.842 9.041 1.00 12.00 O ATOM 0 H GLY A 31 -20.252 12.789 7.828 1.00 12.00 H new ATOM 0 HA2 GLY A 31 -21.615 11.660 10.236 1.00 12.00 H new ATOM 0 HA3 GLY A 31 -21.190 13.337 9.961 1.00 12.00 H new ATOM 498 N GLY A 32 -23.694 11.699 8.503 1.00 12.00 N ATOM 499 CA GLY A 32 -25.103 11.877 8.029 1.00 12.00 C ATOM 500 C GLY A 32 -25.731 10.499 7.791 1.00 12.00 C ATOM 501 O GLY A 32 -26.619 10.074 8.512 1.00 12.00 O ATOM 0 H GLY A 32 -23.336 10.747 8.429 1.00 12.00 H new ATOM 0 HA2 GLY A 32 -25.681 12.431 8.769 1.00 12.00 H new ATOM 0 HA3 GLY A 32 -25.119 12.461 7.109 1.00 12.00 H new ATOM 505 N GLN A 33 -25.253 9.810 6.779 1.00 12.00 N ATOM 506 CA GLN A 33 -25.764 8.443 6.425 1.00 12.00 C ATOM 507 C GLN A 33 -24.751 7.794 5.481 1.00 12.00 C ATOM 508 O GLN A 33 -24.093 6.827 5.826 1.00 12.00 O ATOM 509 CB GLN A 33 -27.114 8.561 5.711 1.00 12.00 C ATOM 510 CG GLN A 33 -28.225 8.766 6.741 1.00 12.00 C ATOM 511 CD GLN A 33 -29.560 8.299 6.160 1.00 12.00 C ATOM 512 OE1 GLN A 33 -30.327 9.095 5.657 1.00 12.00 O ATOM 513 NE2 GLN A 33 -29.872 7.034 6.212 1.00 12.00 N ATOM 0 H GLN A 33 -24.510 10.148 6.167 1.00 12.00 H new ATOM 0 HA GLN A 33 -25.893 7.844 7.327 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -27.095 9.397 5.011 1.00 12.00 H new ATOM 0 HB3 GLN A 33 -27.308 7.661 5.127 1.00 12.00 H new ATOM 0 HG2 GLN A 33 -27.998 8.209 7.650 1.00 12.00 H new ATOM 0 HG3 GLN A 33 -28.287 9.818 7.019 1.00 12.00 H new ATOM 0 HE21 GLN A 33 -29.227 6.367 6.635 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -30.761 6.712 5.830 1.00 12.00 H new ATOM 522 N CYS A 34 -24.626 8.349 4.291 1.00 12.00 N ATOM 523 CA CYS A 34 -23.658 7.824 3.277 1.00 12.00 C ATOM 524 C CYS A 34 -22.978 9.015 2.585 1.00 12.00 C ATOM 525 O CYS A 34 -23.596 10.046 2.378 1.00 12.00 O ATOM 526 CB CYS A 34 -24.407 6.978 2.243 1.00 12.00 C ATOM 527 SG CYS A 34 -25.760 7.949 1.529 1.00 12.00 S ATOM 0 H CYS A 34 -25.165 9.157 3.980 1.00 12.00 H new ATOM 0 HA CYS A 34 -22.906 7.202 3.763 1.00 12.00 H new ATOM 0 HB2 CYS A 34 -23.723 6.656 1.458 1.00 12.00 H new ATOM 0 HB3 CYS A 34 -24.801 6.077 2.712 1.00 12.00 H new ATOM 532 N LYS A 35 -21.710 8.879 2.243 1.00 12.00 N ATOM 533 CA LYS A 35 -20.963 10.004 1.575 1.00 12.00 C ATOM 534 C LYS A 35 -21.624 10.350 0.238 1.00 12.00 C ATOM 535 O LYS A 35 -22.663 9.811 -0.104 1.00 12.00 O ATOM 536 CB LYS A 35 -19.511 9.582 1.326 1.00 12.00 C ATOM 537 CG LYS A 35 -18.640 10.020 2.504 1.00 12.00 C ATOM 538 CD LYS A 35 -17.173 10.079 2.063 1.00 12.00 C ATOM 539 CE LYS A 35 -16.801 11.517 1.686 1.00 12.00 C ATOM 540 NZ LYS A 35 -15.509 11.881 2.333 1.00 12.00 N ATOM 0 H LYS A 35 -21.160 8.034 2.399 1.00 12.00 H new ATOM 0 HA LYS A 35 -20.985 10.878 2.226 1.00 12.00 H new ATOM 0 HB2 LYS A 35 -19.453 8.501 1.200 1.00 12.00 H new ATOM 0 HB3 LYS A 35 -19.144 10.031 0.403 1.00 12.00 H new ATOM 0 HG2 LYS A 35 -18.962 10.997 2.864 1.00 12.00 H new ATOM 0 HG3 LYS A 35 -18.753 9.322 3.333 1.00 12.00 H new ATOM 0 HD2 LYS A 35 -16.528 9.726 2.867 1.00 12.00 H new ATOM 0 HD3 LYS A 35 -17.013 9.417 1.212 1.00 12.00 H new ATOM 0 HE2 LYS A 35 -16.717 11.610 0.603 1.00 12.00 H new ATOM 0 HE3 LYS A 35 -17.586 12.203 2.005 1.00 12.00 H new ATOM 0 HZ1 LYS A 35 -15.256 12.857 2.078 1.00 12.00 H new ATOM 0 HZ2 LYS A 35 -15.605 11.807 3.366 1.00 12.00 H new ATOM 0 HZ3 LYS A 35 -14.763 11.233 2.008 1.00 12.00 H new ATOM 554 N ARG A 36 -21.021 11.251 -0.511 1.00 12.00 N ATOM 555 CA ARG A 36 -21.589 11.659 -1.842 1.00 12.00 C ATOM 556 C ARG A 36 -21.034 10.755 -2.949 1.00 12.00 C ATOM 557 O ARG A 36 -21.639 10.628 -4.001 1.00 12.00 O ATOM 558 CB ARG A 36 -21.203 13.110 -2.146 1.00 12.00 C ATOM 559 CG ARG A 36 -21.897 14.053 -1.159 1.00 12.00 C ATOM 560 CD ARG A 36 -22.341 15.323 -1.889 1.00 12.00 C ATOM 561 NE ARG A 36 -21.144 16.009 -2.455 1.00 12.00 N ATOM 562 CZ ARG A 36 -21.282 17.106 -3.149 1.00 12.00 C ATOM 563 NH1 ARG A 36 -21.996 17.104 -4.242 1.00 12.00 N ATOM 564 NH2 ARG A 36 -20.705 18.205 -2.751 1.00 12.00 N ATOM 0 H ARG A 36 -20.154 11.724 -0.255 1.00 12.00 H new ATOM 0 HA ARG A 36 -22.674 11.565 -1.803 1.00 12.00 H new ATOM 0 HB2 ARG A 36 -20.122 13.230 -2.077 1.00 12.00 H new ATOM 0 HB3 ARG A 36 -21.488 13.365 -3.167 1.00 12.00 H new ATOM 0 HG2 ARG A 36 -22.759 13.558 -0.712 1.00 12.00 H new ATOM 0 HG3 ARG A 36 -21.218 14.308 -0.345 1.00 12.00 H new ATOM 0 HD2 ARG A 36 -23.042 15.072 -2.686 1.00 12.00 H new ATOM 0 HD3 ARG A 36 -22.864 15.988 -1.202 1.00 12.00 H new ATOM 0 HE ARG A 36 -20.214 15.620 -2.299 1.00 12.00 H new ATOM 0 HH11 ARG A 36 -22.447 16.244 -4.555 1.00 12.00 H new ATOM 0 HH12 ARG A 36 -22.103 17.962 -4.783 1.00 12.00 H new ATOM 0 HH21 ARG A 36 -20.146 18.207 -1.898 1.00 12.00 H new ATOM 0 HH22 ARG A 36 -20.812 19.062 -3.293 1.00 12.00 H new ATOM 578 N VAL A 37 -19.886 10.140 -2.724 1.00 12.00 N ATOM 579 CA VAL A 37 -19.275 9.249 -3.769 1.00 12.00 C ATOM 580 C VAL A 37 -18.461 8.143 -3.089 1.00 12.00 C ATOM 581 O VAL A 37 -17.340 8.367 -2.656 1.00 12.00 O ATOM 582 CB VAL A 37 -18.343 10.073 -4.676 1.00 12.00 C ATOM 583 CG1 VAL A 37 -18.029 9.278 -5.945 1.00 12.00 C ATOM 584 CG2 VAL A 37 -19.007 11.404 -5.059 1.00 12.00 C ATOM 0 H VAL A 37 -19.349 10.219 -1.861 1.00 12.00 H new ATOM 0 HA VAL A 37 -20.071 8.806 -4.368 1.00 12.00 H new ATOM 0 HB VAL A 37 -17.421 10.282 -4.134 1.00 12.00 H new ATOM 0 HG11 VAL A 37 -17.369 9.862 -6.586 1.00 12.00 H new ATOM 0 HG12 VAL A 37 -17.539 8.342 -5.676 1.00 12.00 H new ATOM 0 HG13 VAL A 37 -18.955 9.062 -6.478 1.00 12.00 H new ATOM 0 HG21 VAL A 37 -18.335 11.975 -5.700 1.00 12.00 H new ATOM 0 HG22 VAL A 37 -19.937 11.207 -5.592 1.00 12.00 H new ATOM 0 HG23 VAL A 37 -19.221 11.977 -4.157 1.00 12.00 H new ATOM 594 N ASN A 38 -19.009 6.944 -3.027 1.00 12.00 N ATOM 595 CA ASN A 38 -18.263 5.795 -2.418 1.00 12.00 C ATOM 596 C ASN A 38 -17.499 5.118 -3.554 1.00 12.00 C ATOM 597 O ASN A 38 -17.944 4.133 -4.131 1.00 12.00 O ATOM 598 CB ASN A 38 -19.225 4.796 -1.734 1.00 12.00 C ATOM 599 CG ASN A 38 -20.208 5.527 -0.801 1.00 12.00 C ATOM 600 OD1 ASN A 38 -21.276 5.018 -0.523 1.00 12.00 O ATOM 601 ND2 ASN A 38 -19.902 6.692 -0.294 1.00 12.00 N ATOM 0 H ASN A 38 -19.941 6.716 -3.373 1.00 12.00 H new ATOM 0 HA ASN A 38 -17.584 6.149 -1.642 1.00 12.00 H new ATOM 0 HB2 ASN A 38 -19.780 4.243 -2.492 1.00 12.00 H new ATOM 0 HB3 ASN A 38 -18.651 4.066 -1.163 1.00 12.00 H new ATOM 0 HD21 ASN A 38 -20.557 7.165 0.329 1.00 12.00 H new ATOM 0 HD22 ASN A 38 -19.008 7.128 -0.521 1.00 12.00 H new ATOM 608 N THR A 39 -16.368 5.687 -3.905 1.00 12.00 N ATOM 609 CA THR A 39 -15.551 5.152 -5.030 1.00 12.00 C ATOM 610 C THR A 39 -14.648 4.015 -4.553 1.00 12.00 C ATOM 611 O THR A 39 -13.742 4.218 -3.762 1.00 12.00 O ATOM 612 CB THR A 39 -14.689 6.277 -5.605 1.00 12.00 C ATOM 613 OG1 THR A 39 -15.490 7.438 -5.782 1.00 12.00 O ATOM 614 CG2 THR A 39 -14.109 5.843 -6.951 1.00 12.00 C ATOM 0 H THR A 39 -15.976 6.511 -3.449 1.00 12.00 H new ATOM 0 HA THR A 39 -16.222 4.764 -5.796 1.00 12.00 H new ATOM 0 HB THR A 39 -13.872 6.498 -4.918 1.00 12.00 H new ATOM 0 HG1 THR A 39 -14.940 8.162 -6.149 1.00 12.00 H new ATOM 0 HG21 THR A 39 -13.495 6.646 -7.359 1.00 12.00 H new ATOM 0 HG22 THR A 39 -13.496 4.952 -6.813 1.00 12.00 H new ATOM 0 HG23 THR A 39 -14.922 5.621 -7.643 1.00 12.00 H new ATOM 622 N PHE A 40 -14.888 2.831 -5.060 1.00 12.00 N ATOM 623 CA PHE A 40 -14.058 1.636 -4.701 1.00 12.00 C ATOM 624 C PHE A 40 -13.143 1.325 -5.903 1.00 12.00 C ATOM 625 O PHE A 40 -13.362 1.858 -6.979 1.00 12.00 O ATOM 626 CB PHE A 40 -15.006 0.464 -4.415 1.00 12.00 C ATOM 627 CG PHE A 40 -16.014 0.874 -3.361 1.00 12.00 C ATOM 628 CD1 PHE A 40 -15.574 1.335 -2.113 1.00 12.00 C ATOM 629 CD2 PHE A 40 -17.388 0.795 -3.631 1.00 12.00 C ATOM 630 CE1 PHE A 40 -16.505 1.719 -1.138 1.00 12.00 C ATOM 631 CE2 PHE A 40 -18.317 1.177 -2.654 1.00 12.00 C ATOM 632 CZ PHE A 40 -17.876 1.639 -1.410 1.00 12.00 C ATOM 0 H PHE A 40 -15.640 2.637 -5.722 1.00 12.00 H new ATOM 0 HA PHE A 40 -13.444 1.814 -3.818 1.00 12.00 H new ATOM 0 HB2 PHE A 40 -15.520 0.167 -5.329 1.00 12.00 H new ATOM 0 HB3 PHE A 40 -14.438 -0.401 -4.073 1.00 12.00 H new ATOM 0 HD1 PHE A 40 -14.516 1.394 -1.902 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -17.730 0.440 -4.592 1.00 12.00 H new ATOM 0 HE1 PHE A 40 -16.165 2.076 -0.177 1.00 12.00 H new ATOM 0 HE2 PHE A 40 -19.375 1.115 -2.862 1.00 12.00 H new ATOM 0 HZ PHE A 40 -18.593 1.934 -0.659 1.00 12.00 H new ATOM 642 N ILE A 41 -12.112 0.501 -5.746 1.00 12.00 N ATOM 643 CA ILE A 41 -11.202 0.209 -6.907 1.00 12.00 C ATOM 644 C ILE A 41 -11.060 -1.303 -7.109 1.00 12.00 C ATOM 645 O ILE A 41 -10.704 -2.027 -6.198 1.00 12.00 O ATOM 646 CB ILE A 41 -9.826 0.834 -6.642 1.00 12.00 C ATOM 647 CG1 ILE A 41 -9.983 2.344 -6.388 1.00 12.00 C ATOM 648 CG2 ILE A 41 -8.908 0.607 -7.847 1.00 12.00 C ATOM 649 CD1 ILE A 41 -10.618 3.032 -7.605 1.00 12.00 C ATOM 0 H ILE A 41 -11.871 0.029 -4.875 1.00 12.00 H new ATOM 0 HA ILE A 41 -11.630 0.638 -7.813 1.00 12.00 H new ATOM 0 HB ILE A 41 -9.384 0.364 -5.764 1.00 12.00 H new ATOM 0 HG12 ILE A 41 -10.603 2.508 -5.506 1.00 12.00 H new ATOM 0 HG13 ILE A 41 -9.009 2.787 -6.180 1.00 12.00 H new ATOM 0 HG21 ILE A 41 -7.933 1.054 -7.651 1.00 12.00 H new ATOM 0 HG22 ILE A 41 -8.789 -0.463 -8.017 1.00 12.00 H new ATOM 0 HG23 ILE A 41 -9.347 1.069 -8.731 1.00 12.00 H new ATOM 0 HD11 ILE A 41 -10.721 4.099 -7.407 1.00 12.00 H new ATOM 0 HD12 ILE A 41 -9.983 2.885 -8.479 1.00 12.00 H new ATOM 0 HD13 ILE A 41 -11.601 2.601 -7.794 1.00 12.00 H new ATOM 661 N ILE A 42 -11.326 -1.767 -8.313 1.00 12.00 N ATOM 662 CA ILE A 42 -11.209 -3.229 -8.621 1.00 12.00 C ATOM 663 C ILE A 42 -9.995 -3.455 -9.524 1.00 12.00 C ATOM 664 O ILE A 42 -9.850 -2.816 -10.551 1.00 12.00 O ATOM 665 CB ILE A 42 -12.490 -3.721 -9.314 1.00 12.00 C ATOM 666 CG1 ILE A 42 -12.369 -5.223 -9.611 1.00 12.00 C ATOM 667 CG2 ILE A 42 -12.713 -2.957 -10.627 1.00 12.00 C ATOM 668 CD1 ILE A 42 -13.725 -5.904 -9.409 1.00 12.00 C ATOM 0 H ILE A 42 -11.621 -1.188 -9.099 1.00 12.00 H new ATOM 0 HA ILE A 42 -11.079 -3.791 -7.696 1.00 12.00 H new ATOM 0 HB ILE A 42 -13.338 -3.544 -8.653 1.00 12.00 H new ATOM 0 HG12 ILE A 42 -12.025 -5.374 -10.634 1.00 12.00 H new ATOM 0 HG13 ILE A 42 -11.624 -5.674 -8.955 1.00 12.00 H new ATOM 0 HG21 ILE A 42 -13.624 -3.316 -11.107 1.00 12.00 H new ATOM 0 HG22 ILE A 42 -12.809 -1.892 -10.416 1.00 12.00 H new ATOM 0 HG23 ILE A 42 -11.864 -3.120 -11.291 1.00 12.00 H new ATOM 0 HD11 ILE A 42 -13.632 -6.969 -9.621 1.00 12.00 H new ATOM 0 HD12 ILE A 42 -14.051 -5.766 -8.378 1.00 12.00 H new ATOM 0 HD13 ILE A 42 -14.458 -5.462 -10.084 1.00 12.00 H new ATOM 680 N SER A 43 -9.130 -4.365 -9.131 1.00 12.00 N ATOM 681 CA SER A 43 -7.894 -4.683 -9.924 1.00 12.00 C ATOM 682 C SER A 43 -6.999 -5.596 -9.078 1.00 12.00 C ATOM 683 O SER A 43 -7.138 -5.648 -7.867 1.00 12.00 O ATOM 684 CB SER A 43 -7.123 -3.389 -10.252 1.00 12.00 C ATOM 685 OG SER A 43 -5.878 -3.717 -10.858 1.00 12.00 O ATOM 0 H SER A 43 -9.231 -4.912 -8.276 1.00 12.00 H new ATOM 0 HA SER A 43 -8.175 -5.173 -10.856 1.00 12.00 H new ATOM 0 HB2 SER A 43 -7.712 -2.763 -10.922 1.00 12.00 H new ATOM 0 HB3 SER A 43 -6.956 -2.813 -9.342 1.00 12.00 H new ATOM 0 HG SER A 43 -5.462 -2.903 -11.211 1.00 12.00 H new ATOM 691 N SER A 44 -6.079 -6.304 -9.704 1.00 12.00 N ATOM 692 CA SER A 44 -5.155 -7.209 -8.942 1.00 12.00 C ATOM 693 C SER A 44 -4.392 -6.377 -7.891 1.00 12.00 C ATOM 694 O SER A 44 -3.685 -5.434 -8.210 1.00 12.00 O ATOM 695 CB SER A 44 -4.188 -7.912 -9.911 1.00 12.00 C ATOM 696 OG SER A 44 -3.970 -7.101 -11.060 1.00 12.00 O ATOM 0 H SER A 44 -5.930 -6.292 -10.713 1.00 12.00 H new ATOM 0 HA SER A 44 -5.727 -7.982 -8.428 1.00 12.00 H new ATOM 0 HB2 SER A 44 -3.240 -8.110 -9.411 1.00 12.00 H new ATOM 0 HB3 SER A 44 -4.598 -8.877 -10.210 1.00 12.00 H new ATOM 0 HG SER A 44 -3.786 -7.673 -11.834 1.00 12.00 H new ATOM 702 N ALA A 45 -4.598 -6.709 -6.638 1.00 12.00 N ATOM 703 CA ALA A 45 -3.985 -5.966 -5.483 1.00 12.00 C ATOM 704 C ALA A 45 -2.527 -5.557 -5.712 1.00 12.00 C ATOM 705 O ALA A 45 -2.213 -4.378 -5.709 1.00 12.00 O ATOM 706 CB ALA A 45 -4.063 -6.846 -4.235 1.00 12.00 C ATOM 0 H ALA A 45 -5.187 -7.493 -6.357 1.00 12.00 H new ATOM 0 HA ALA A 45 -4.553 -5.043 -5.366 1.00 12.00 H new ATOM 0 HB1 ALA A 45 -3.621 -6.318 -3.390 1.00 12.00 H new ATOM 0 HB2 ALA A 45 -5.106 -7.074 -4.016 1.00 12.00 H new ATOM 0 HB3 ALA A 45 -3.517 -7.773 -4.409 1.00 12.00 H new ATOM 712 N THR A 46 -1.634 -6.510 -5.840 1.00 12.00 N ATOM 713 CA THR A 46 -0.178 -6.180 -6.001 1.00 12.00 C ATOM 714 C THR A 46 0.070 -5.356 -7.272 1.00 12.00 C ATOM 715 O THR A 46 1.017 -4.588 -7.322 1.00 12.00 O ATOM 716 CB THR A 46 0.636 -7.472 -6.018 1.00 12.00 C ATOM 717 OG1 THR A 46 1.998 -7.179 -6.309 1.00 12.00 O ATOM 718 CG2 THR A 46 0.079 -8.434 -7.072 1.00 12.00 C ATOM 0 H THR A 46 -1.850 -7.507 -5.840 1.00 12.00 H new ATOM 0 HA THR A 46 0.140 -5.569 -5.156 1.00 12.00 H new ATOM 0 HB THR A 46 0.569 -7.944 -5.038 1.00 12.00 H new ATOM 0 HG1 THR A 46 2.517 -8.010 -6.317 1.00 12.00 H new ATOM 0 HG21 THR A 46 0.668 -9.351 -7.075 1.00 12.00 H new ATOM 0 HG22 THR A 46 -0.959 -8.670 -6.837 1.00 12.00 H new ATOM 0 HG23 THR A 46 0.132 -7.966 -8.055 1.00 12.00 H new ATOM 726 N THR A 47 -0.777 -5.475 -8.281 1.00 12.00 N ATOM 727 CA THR A 47 -0.591 -4.652 -9.531 1.00 12.00 C ATOM 728 C THR A 47 -0.624 -3.180 -9.120 1.00 12.00 C ATOM 729 O THR A 47 0.124 -2.360 -9.636 1.00 12.00 O ATOM 730 CB THR A 47 -1.684 -4.971 -10.560 1.00 12.00 C ATOM 731 OG1 THR A 47 -1.656 -6.363 -10.832 1.00 12.00 O ATOM 732 CG2 THR A 47 -1.414 -4.202 -11.854 1.00 12.00 C ATOM 0 H THR A 47 -1.582 -6.101 -8.292 1.00 12.00 H new ATOM 0 HA THR A 47 0.362 -4.885 -10.006 1.00 12.00 H new ATOM 0 HB THR A 47 -2.658 -4.681 -10.166 1.00 12.00 H new ATOM 0 HG1 THR A 47 -2.480 -6.623 -11.294 1.00 12.00 H new ATOM 0 HG21 THR A 47 -2.192 -4.431 -12.582 1.00 12.00 H new ATOM 0 HG22 THR A 47 -1.414 -3.132 -11.648 1.00 12.00 H new ATOM 0 HG23 THR A 47 -0.444 -4.495 -12.255 1.00 12.00 H new ATOM 740 N VAL A 48 -1.448 -2.869 -8.141 1.00 12.00 N ATOM 741 CA VAL A 48 -1.517 -1.480 -7.603 1.00 12.00 C ATOM 742 C VAL A 48 -0.212 -1.221 -6.841 1.00 12.00 C ATOM 743 O VAL A 48 0.352 -0.140 -6.889 1.00 12.00 O ATOM 744 CB VAL A 48 -2.698 -1.361 -6.634 1.00 12.00 C ATOM 745 CG1 VAL A 48 -2.828 0.086 -6.147 1.00 12.00 C ATOM 746 CG2 VAL A 48 -3.985 -1.786 -7.347 1.00 12.00 C ATOM 0 H VAL A 48 -2.080 -3.531 -7.691 1.00 12.00 H new ATOM 0 HA VAL A 48 -1.650 -0.760 -8.411 1.00 12.00 H new ATOM 0 HB VAL A 48 -2.528 -2.010 -5.775 1.00 12.00 H new ATOM 0 HG11 VAL A 48 -3.669 0.164 -5.458 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -1.912 0.381 -5.635 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -2.995 0.743 -7.000 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -4.827 -1.702 -6.659 1.00 12.00 H new ATOM 0 HG22 VAL A 48 -4.154 -1.140 -8.208 1.00 12.00 H new ATOM 0 HG23 VAL A 48 -3.891 -2.819 -7.682 1.00 12.00 H new ATOM 756 N LYS A 49 0.269 -2.238 -6.149 1.00 12.00 N ATOM 757 CA LYS A 49 1.548 -2.121 -5.379 1.00 12.00 C ATOM 758 C LYS A 49 2.691 -1.793 -6.349 1.00 12.00 C ATOM 759 O LYS A 49 3.720 -1.273 -5.944 1.00 12.00 O ATOM 760 CB LYS A 49 1.839 -3.451 -4.667 1.00 12.00 C ATOM 761 CG LYS A 49 3.037 -3.291 -3.728 1.00 12.00 C ATOM 762 CD LYS A 49 3.433 -4.664 -3.177 1.00 12.00 C ATOM 763 CE LYS A 49 4.794 -4.566 -2.483 1.00 12.00 C ATOM 764 NZ LYS A 49 5.866 -4.961 -3.442 1.00 12.00 N ATOM 0 H LYS A 49 -0.180 -3.152 -6.088 1.00 12.00 H new ATOM 0 HA LYS A 49 1.461 -1.328 -4.637 1.00 12.00 H new ATOM 0 HB2 LYS A 49 0.963 -3.769 -4.102 1.00 12.00 H new ATOM 0 HB3 LYS A 49 2.044 -4.229 -5.402 1.00 12.00 H new ATOM 0 HG2 LYS A 49 3.876 -2.845 -4.262 1.00 12.00 H new ATOM 0 HG3 LYS A 49 2.785 -2.616 -2.910 1.00 12.00 H new ATOM 0 HD2 LYS A 49 2.679 -5.016 -2.473 1.00 12.00 H new ATOM 0 HD3 LYS A 49 3.478 -5.393 -3.986 1.00 12.00 H new ATOM 0 HE2 LYS A 49 4.963 -3.549 -2.130 1.00 12.00 H new ATOM 0 HE3 LYS A 49 4.816 -5.215 -1.607 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 6.792 -4.896 -2.974 1.00 12.00 H new ATOM 0 HZ2 LYS A 49 5.706 -5.939 -3.758 1.00 12.00 H new ATOM 0 HZ3 LYS A 49 5.848 -4.324 -4.264 1.00 12.00 H new ATOM 778 N ALA A 50 2.512 -2.094 -7.627 1.00 12.00 N ATOM 779 CA ALA A 50 3.570 -1.809 -8.643 1.00 12.00 C ATOM 780 C ALA A 50 3.495 -0.338 -9.078 1.00 12.00 C ATOM 781 O ALA A 50 4.520 0.282 -9.314 1.00 12.00 O ATOM 782 CB ALA A 50 3.376 -2.727 -9.860 1.00 12.00 C ATOM 0 H ALA A 50 1.668 -2.528 -8.001 1.00 12.00 H new ATOM 0 HA ALA A 50 4.550 -1.997 -8.204 1.00 12.00 H new ATOM 0 HB1 ALA A 50 4.148 -2.518 -10.600 1.00 12.00 H new ATOM 0 HB2 ALA A 50 3.447 -3.768 -9.545 1.00 12.00 H new ATOM 0 HB3 ALA A 50 2.395 -2.547 -10.299 1.00 12.00 H new ATOM 788 N ILE A 51 2.297 0.219 -9.194 1.00 12.00 N ATOM 789 CA ILE A 51 2.163 1.650 -9.627 1.00 12.00 C ATOM 790 C ILE A 51 2.738 2.592 -8.554 1.00 12.00 C ATOM 791 O ILE A 51 3.141 3.704 -8.860 1.00 12.00 O ATOM 792 CB ILE A 51 0.686 1.979 -9.905 1.00 12.00 C ATOM 793 CG1 ILE A 51 0.586 3.392 -10.485 1.00 12.00 C ATOM 794 CG2 ILE A 51 -0.147 1.891 -8.618 1.00 12.00 C ATOM 795 CD1 ILE A 51 1.046 3.384 -11.945 1.00 12.00 C ATOM 0 H ILE A 51 1.416 -0.259 -9.007 1.00 12.00 H new ATOM 0 HA ILE A 51 2.731 1.796 -10.546 1.00 12.00 H new ATOM 0 HB ILE A 51 0.294 1.253 -10.617 1.00 12.00 H new ATOM 0 HG12 ILE A 51 -0.441 3.751 -10.419 1.00 12.00 H new ATOM 0 HG13 ILE A 51 1.201 4.079 -9.904 1.00 12.00 H new ATOM 0 HG21 ILE A 51 -1.187 2.128 -8.841 1.00 12.00 H new ATOM 0 HG22 ILE A 51 -0.084 0.881 -8.212 1.00 12.00 H new ATOM 0 HG23 ILE A 51 0.238 2.601 -7.886 1.00 12.00 H new ATOM 0 HD11 ILE A 51 0.974 4.391 -12.355 1.00 12.00 H new ATOM 0 HD12 ILE A 51 2.080 3.044 -11.999 1.00 12.00 H new ATOM 0 HD13 ILE A 51 0.412 2.711 -12.522 1.00 12.00 H new ATOM 807 N CYS A 52 2.786 2.154 -7.308 1.00 12.00 N ATOM 808 CA CYS A 52 3.343 3.014 -6.214 1.00 12.00 C ATOM 809 C CYS A 52 4.789 2.589 -5.903 1.00 12.00 C ATOM 810 O CYS A 52 5.296 2.847 -4.822 1.00 12.00 O ATOM 811 CB CYS A 52 2.470 2.882 -4.953 1.00 12.00 C ATOM 812 SG CYS A 52 1.955 4.527 -4.393 1.00 12.00 S ATOM 0 H CYS A 52 2.461 1.235 -7.007 1.00 12.00 H new ATOM 0 HA CYS A 52 3.342 4.055 -6.538 1.00 12.00 H new ATOM 0 HB2 CYS A 52 1.594 2.269 -5.168 1.00 12.00 H new ATOM 0 HB3 CYS A 52 3.027 2.376 -4.164 1.00 12.00 H new ATOM 817 N THR A 53 5.455 1.951 -6.852 1.00 12.00 N ATOM 818 CA THR A 53 6.875 1.513 -6.637 1.00 12.00 C ATOM 819 C THR A 53 7.810 2.677 -6.962 1.00 12.00 C ATOM 820 O THR A 53 7.961 3.046 -8.117 1.00 12.00 O ATOM 821 CB THR A 53 7.205 0.334 -7.558 1.00 12.00 C ATOM 822 OG1 THR A 53 6.194 -0.654 -7.445 1.00 12.00 O ATOM 823 CG2 THR A 53 8.554 -0.261 -7.150 1.00 12.00 C ATOM 0 H THR A 53 5.070 1.717 -7.767 1.00 12.00 H new ATOM 0 HA THR A 53 7.003 1.205 -5.599 1.00 12.00 H new ATOM 0 HB THR A 53 7.256 0.679 -8.591 1.00 12.00 H new ATOM 0 HG1 THR A 53 6.540 -1.514 -7.764 1.00 12.00 H new ATOM 0 HG21 THR A 53 8.794 -1.101 -7.802 1.00 12.00 H new ATOM 0 HG22 THR A 53 9.329 0.500 -7.239 1.00 12.00 H new ATOM 0 HG23 THR A 53 8.502 -0.607 -6.118 1.00 12.00 H new ATOM 831 N GLY A 54 8.430 3.256 -5.953 1.00 12.00 N ATOM 832 CA GLY A 54 9.360 4.408 -6.188 1.00 12.00 C ATOM 833 C GLY A 54 10.280 4.615 -4.978 1.00 12.00 C ATOM 834 O GLY A 54 11.492 4.578 -5.111 1.00 12.00 O ATOM 0 H GLY A 54 8.330 2.977 -4.977 1.00 12.00 H new ATOM 0 HA2 GLY A 54 9.959 4.223 -7.080 1.00 12.00 H new ATOM 0 HA3 GLY A 54 8.785 5.315 -6.373 1.00 12.00 H new ATOM 838 N VAL A 55 9.710 4.855 -3.810 1.00 12.00 N ATOM 839 CA VAL A 55 10.539 5.093 -2.585 1.00 12.00 C ATOM 840 C VAL A 55 9.633 4.963 -1.332 1.00 12.00 C ATOM 841 O VAL A 55 8.474 4.598 -1.452 1.00 12.00 O ATOM 842 CB VAL A 55 11.185 6.494 -2.729 1.00 12.00 C ATOM 843 CG1 VAL A 55 10.176 7.611 -2.438 1.00 12.00 C ATOM 844 CG2 VAL A 55 12.388 6.626 -1.789 1.00 12.00 C ATOM 0 H VAL A 55 8.702 4.895 -3.659 1.00 12.00 H new ATOM 0 HA VAL A 55 11.337 4.360 -2.471 1.00 12.00 H new ATOM 0 HB VAL A 55 11.519 6.597 -3.761 1.00 12.00 H new ATOM 0 HG11 VAL A 55 10.664 8.580 -2.548 1.00 12.00 H new ATOM 0 HG12 VAL A 55 9.344 7.541 -3.139 1.00 12.00 H new ATOM 0 HG13 VAL A 55 9.802 7.507 -1.419 1.00 12.00 H new ATOM 0 HG21 VAL A 55 12.831 7.615 -1.902 1.00 12.00 H new ATOM 0 HG22 VAL A 55 12.061 6.490 -0.758 1.00 12.00 H new ATOM 0 HG23 VAL A 55 13.129 5.866 -2.038 1.00 12.00 H new ATOM 854 N ILE A 56 10.151 5.235 -0.140 1.00 12.00 N ATOM 855 CA ILE A 56 9.322 5.101 1.112 1.00 12.00 C ATOM 856 C ILE A 56 8.535 6.402 1.409 1.00 12.00 C ATOM 857 O ILE A 56 8.217 6.694 2.552 1.00 12.00 O ATOM 858 CB ILE A 56 10.250 4.767 2.293 1.00 12.00 C ATOM 859 CG1 ILE A 56 11.267 5.895 2.492 1.00 12.00 C ATOM 860 CG2 ILE A 56 10.997 3.464 2.008 1.00 12.00 C ATOM 861 CD1 ILE A 56 12.036 5.662 3.795 1.00 12.00 C ATOM 0 H ILE A 56 11.111 5.543 0.014 1.00 12.00 H new ATOM 0 HA ILE A 56 8.596 4.301 0.967 1.00 12.00 H new ATOM 0 HB ILE A 56 9.648 4.656 3.195 1.00 12.00 H new ATOM 0 HG12 ILE A 56 11.958 5.929 1.650 1.00 12.00 H new ATOM 0 HG13 ILE A 56 10.757 6.858 2.525 1.00 12.00 H new ATOM 0 HG21 ILE A 56 11.653 3.230 2.846 1.00 12.00 H new ATOM 0 HG22 ILE A 56 10.279 2.655 1.873 1.00 12.00 H new ATOM 0 HG23 ILE A 56 11.592 3.576 1.102 1.00 12.00 H new ATOM 0 HD11 ILE A 56 12.760 6.464 3.938 1.00 12.00 H new ATOM 0 HD12 ILE A 56 11.338 5.650 4.632 1.00 12.00 H new ATOM 0 HD13 ILE A 56 12.558 4.706 3.744 1.00 12.00 H new ATOM 873 N ASN A 57 8.216 7.165 0.384 1.00 12.00 N ATOM 874 CA ASN A 57 7.447 8.453 0.552 1.00 12.00 C ATOM 875 C ASN A 57 7.318 9.106 -0.830 1.00 12.00 C ATOM 876 O ASN A 57 8.320 9.447 -1.440 1.00 12.00 O ATOM 877 CB ASN A 57 8.216 9.396 1.477 1.00 12.00 C ATOM 878 CG ASN A 57 7.257 10.426 2.075 1.00 12.00 C ATOM 879 OD1 ASN A 57 7.436 11.614 1.899 1.00 12.00 O ATOM 880 ND2 ASN A 57 6.240 10.017 2.783 1.00 12.00 N ATOM 0 H ASN A 57 8.460 6.947 -0.582 1.00 12.00 H new ATOM 0 HA ASN A 57 6.466 8.253 0.982 1.00 12.00 H new ATOM 0 HB2 ASN A 57 8.697 8.828 2.273 1.00 12.00 H new ATOM 0 HB3 ASN A 57 9.007 9.900 0.922 1.00 12.00 H new ATOM 0 HD21 ASN A 57 5.595 10.695 3.189 1.00 12.00 H new ATOM 0 HD22 ASN A 57 6.090 9.019 2.931 1.00 12.00 H new ATOM 887 N MET A 58 6.107 9.260 -1.338 1.00 12.00 N ATOM 888 CA MET A 58 5.930 9.871 -2.702 1.00 12.00 C ATOM 889 C MET A 58 4.471 10.275 -2.949 1.00 12.00 C ATOM 890 O MET A 58 3.576 9.924 -2.199 1.00 12.00 O ATOM 891 CB MET A 58 6.343 8.835 -3.753 1.00 12.00 C ATOM 892 CG MET A 58 6.796 9.541 -5.032 1.00 12.00 C ATOM 893 SD MET A 58 7.860 8.431 -5.989 1.00 12.00 S ATOM 894 CE MET A 58 6.599 7.842 -7.147 1.00 12.00 C ATOM 0 H MET A 58 5.242 8.991 -0.869 1.00 12.00 H new ATOM 0 HA MET A 58 6.547 10.767 -2.767 1.00 12.00 H new ATOM 0 HB2 MET A 58 7.150 8.213 -3.365 1.00 12.00 H new ATOM 0 HB3 MET A 58 5.506 8.172 -3.971 1.00 12.00 H new ATOM 0 HG2 MET A 58 5.930 9.833 -5.625 1.00 12.00 H new ATOM 0 HG3 MET A 58 7.335 10.455 -4.784 1.00 12.00 H new ATOM 0 HE1 MET A 58 7.047 7.132 -7.842 1.00 12.00 H new ATOM 0 HE2 MET A 58 5.798 7.352 -6.594 1.00 12.00 H new ATOM 0 HE3 MET A 58 6.193 8.687 -7.703 1.00 12.00 H new ATOM 904 N ASN A 59 4.246 10.986 -4.032 1.00 12.00 N ATOM 905 CA ASN A 59 2.868 11.420 -4.430 1.00 12.00 C ATOM 906 C ASN A 59 2.726 11.164 -5.932 1.00 12.00 C ATOM 907 O ASN A 59 3.467 11.726 -6.724 1.00 12.00 O ATOM 908 CB ASN A 59 2.690 12.912 -4.139 1.00 12.00 C ATOM 909 CG ASN A 59 1.227 13.191 -3.785 1.00 12.00 C ATOM 910 OD1 ASN A 59 0.942 13.849 -2.803 1.00 12.00 O ATOM 911 ND2 ASN A 59 0.281 12.718 -4.550 1.00 12.00 N ATOM 0 H ASN A 59 4.980 11.290 -4.671 1.00 12.00 H new ATOM 0 HA ASN A 59 2.112 10.869 -3.871 1.00 12.00 H new ATOM 0 HB2 ASN A 59 3.338 13.213 -3.316 1.00 12.00 H new ATOM 0 HB3 ASN A 59 2.984 13.501 -5.008 1.00 12.00 H new ATOM 0 HD21 ASN A 59 -0.697 12.900 -4.324 1.00 12.00 H new ATOM 0 HD22 ASN A 59 0.520 12.166 -5.374 1.00 12.00 H new ATOM 918 N VAL A 60 1.801 10.308 -6.326 1.00 12.00 N ATOM 919 CA VAL A 60 1.630 9.990 -7.779 1.00 12.00 C ATOM 920 C VAL A 60 0.167 9.625 -8.049 1.00 12.00 C ATOM 921 O VAL A 60 -0.584 9.360 -7.128 1.00 12.00 O ATOM 922 CB VAL A 60 2.558 8.816 -8.141 1.00 12.00 C ATOM 923 CG1 VAL A 60 2.199 7.586 -7.301 1.00 12.00 C ATOM 924 CG2 VAL A 60 2.420 8.475 -9.627 1.00 12.00 C ATOM 0 H VAL A 60 1.161 9.819 -5.700 1.00 12.00 H new ATOM 0 HA VAL A 60 1.891 10.853 -8.391 1.00 12.00 H new ATOM 0 HB VAL A 60 3.587 9.108 -7.933 1.00 12.00 H new ATOM 0 HG11 VAL A 60 2.860 6.760 -7.564 1.00 12.00 H new ATOM 0 HG12 VAL A 60 2.315 7.821 -6.243 1.00 12.00 H new ATOM 0 HG13 VAL A 60 1.166 7.300 -7.498 1.00 12.00 H new ATOM 0 HG21 VAL A 60 3.081 7.643 -9.872 1.00 12.00 H new ATOM 0 HG22 VAL A 60 1.389 8.195 -9.842 1.00 12.00 H new ATOM 0 HG23 VAL A 60 2.692 9.344 -10.226 1.00 12.00 H new ATOM 934 N LEU A 61 -0.233 9.621 -9.304 1.00 12.00 N ATOM 935 CA LEU A 61 -1.648 9.287 -9.662 1.00 12.00 C ATOM 936 C LEU A 61 -1.691 7.997 -10.479 1.00 12.00 C ATOM 937 O LEU A 61 -1.002 7.875 -11.478 1.00 12.00 O ATOM 938 CB LEU A 61 -2.245 10.418 -10.512 1.00 12.00 C ATOM 939 CG LEU A 61 -2.137 11.757 -9.776 1.00 12.00 C ATOM 940 CD1 LEU A 61 -0.844 12.468 -10.181 1.00 12.00 C ATOM 941 CD2 LEU A 61 -3.330 12.637 -10.157 1.00 12.00 C ATOM 0 H LEU A 61 0.368 9.837 -10.099 1.00 12.00 H new ATOM 0 HA LEU A 61 -2.220 9.162 -8.742 1.00 12.00 H new ATOM 0 HB2 LEU A 61 -1.722 10.478 -11.467 1.00 12.00 H new ATOM 0 HB3 LEU A 61 -3.290 10.201 -10.734 1.00 12.00 H new ATOM 0 HG LEU A 61 -2.132 11.578 -8.701 1.00 12.00 H new ATOM 0 HD11 LEU A 61 -0.772 13.420 -9.655 1.00 12.00 H new ATOM 0 HD12 LEU A 61 0.011 11.844 -9.921 1.00 12.00 H new ATOM 0 HD13 LEU A 61 -0.849 12.647 -11.256 1.00 12.00 H new ATOM 0 HD21 LEU A 61 -3.259 13.592 -9.636 1.00 12.00 H new ATOM 0 HD22 LEU A 61 -3.326 12.810 -11.233 1.00 12.00 H new ATOM 0 HD23 LEU A 61 -4.256 12.137 -9.873 1.00 12.00 H new ATOM 953 N SER A 62 -2.523 7.048 -10.076 1.00 12.00 N ATOM 954 CA SER A 62 -2.664 5.756 -10.842 1.00 12.00 C ATOM 955 C SER A 62 -2.980 6.100 -12.307 1.00 12.00 C ATOM 956 O SER A 62 -4.128 6.333 -12.666 1.00 12.00 O ATOM 957 CB SER A 62 -3.808 4.918 -10.251 1.00 12.00 C ATOM 958 OG SER A 62 -3.542 4.639 -8.882 1.00 12.00 O ATOM 0 H SER A 62 -3.111 7.116 -9.246 1.00 12.00 H new ATOM 0 HA SER A 62 -1.741 5.180 -10.777 1.00 12.00 H new ATOM 0 HB2 SER A 62 -4.752 5.456 -10.346 1.00 12.00 H new ATOM 0 HB3 SER A 62 -3.914 3.987 -10.808 1.00 12.00 H new ATOM 0 HG SER A 62 -4.076 3.869 -8.595 1.00 12.00 H new ATOM 964 N THR A 63 -1.953 6.169 -13.134 1.00 12.00 N ATOM 965 CA THR A 63 -2.132 6.533 -14.576 1.00 12.00 C ATOM 966 C THR A 63 -2.671 5.336 -15.356 1.00 12.00 C ATOM 967 O THR A 63 -2.990 4.308 -14.782 1.00 12.00 O ATOM 968 CB THR A 63 -0.781 6.961 -15.175 1.00 12.00 C ATOM 969 OG1 THR A 63 0.272 6.204 -14.588 1.00 12.00 O ATOM 970 CG2 THR A 63 -0.546 8.453 -14.911 1.00 12.00 C ATOM 0 H THR A 63 -0.987 5.985 -12.861 1.00 12.00 H new ATOM 0 HA THR A 63 -2.842 7.357 -14.645 1.00 12.00 H new ATOM 0 HB THR A 63 -0.797 6.781 -16.250 1.00 12.00 H new ATOM 0 HG1 THR A 63 1.129 6.480 -14.975 1.00 12.00 H new ATOM 0 HG21 THR A 63 0.412 8.751 -15.337 1.00 12.00 H new ATOM 0 HG22 THR A 63 -1.345 9.034 -15.372 1.00 12.00 H new ATOM 0 HG23 THR A 63 -0.538 8.635 -13.836 1.00 12.00 H new ATOM 978 N THR A 64 -2.777 5.481 -16.661 1.00 12.00 N ATOM 979 CA THR A 64 -3.298 4.380 -17.525 1.00 12.00 C ATOM 980 C THR A 64 -4.758 4.095 -17.138 1.00 12.00 C ATOM 981 O THR A 64 -5.653 4.768 -17.625 1.00 12.00 O ATOM 982 CB THR A 64 -2.411 3.132 -17.362 1.00 12.00 C ATOM 983 OG1 THR A 64 -1.083 3.445 -17.760 1.00 12.00 O ATOM 984 CG2 THR A 64 -2.948 1.993 -18.232 1.00 12.00 C ATOM 0 H THR A 64 -2.519 6.330 -17.165 1.00 12.00 H new ATOM 0 HA THR A 64 -3.270 4.670 -18.575 1.00 12.00 H new ATOM 0 HB THR A 64 -2.419 2.819 -16.318 1.00 12.00 H new ATOM 0 HG1 THR A 64 -0.515 2.653 -17.656 1.00 12.00 H new ATOM 0 HG21 THR A 64 -2.315 1.114 -18.111 1.00 12.00 H new ATOM 0 HG22 THR A 64 -3.966 1.752 -17.928 1.00 12.00 H new ATOM 0 HG23 THR A 64 -2.945 2.301 -19.277 1.00 12.00 H new ATOM 992 N ARG A 65 -5.012 3.125 -16.267 1.00 12.00 N ATOM 993 CA ARG A 65 -6.419 2.812 -15.848 1.00 12.00 C ATOM 994 C ARG A 65 -6.436 1.563 -14.959 1.00 12.00 C ATOM 995 O ARG A 65 -6.311 0.447 -15.445 1.00 12.00 O ATOM 996 CB ARG A 65 -7.289 2.542 -17.085 1.00 12.00 C ATOM 997 CG ARG A 65 -6.640 1.453 -17.946 1.00 12.00 C ATOM 998 CD ARG A 65 -7.071 1.622 -19.403 1.00 12.00 C ATOM 999 NE ARG A 65 -8.560 1.639 -19.484 1.00 12.00 N ATOM 1000 CZ ARG A 65 -9.154 1.384 -20.618 1.00 12.00 C ATOM 1001 NH1 ARG A 65 -9.211 2.301 -21.545 1.00 12.00 N ATOM 1002 NH2 ARG A 65 -9.691 0.212 -20.825 1.00 12.00 N ATOM 0 H ARG A 65 -4.297 2.541 -15.833 1.00 12.00 H new ATOM 0 HA ARG A 65 -6.812 3.666 -15.297 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -8.287 2.230 -16.778 1.00 12.00 H new ATOM 0 HB3 ARG A 65 -7.406 3.457 -17.666 1.00 12.00 H new ATOM 0 HG2 ARG A 65 -5.554 1.514 -17.869 1.00 12.00 H new ATOM 0 HG3 ARG A 65 -6.931 0.467 -17.583 1.00 12.00 H new ATOM 0 HD2 ARG A 65 -6.664 2.548 -19.808 1.00 12.00 H new ATOM 0 HD3 ARG A 65 -6.673 0.807 -20.008 1.00 12.00 H new ATOM 0 HE ARG A 65 -9.114 1.850 -18.654 1.00 12.00 H new ATOM 0 HH11 ARG A 65 -8.791 3.217 -21.383 1.00 12.00 H new ATOM 0 HH12 ARG A 65 -9.675 2.102 -22.431 1.00 12.00 H new ATOM 0 HH21 ARG A 65 -9.646 -0.505 -20.100 1.00 12.00 H new ATOM 0 HH22 ARG A 65 -10.155 0.013 -21.711 1.00 12.00 H new ATOM 1016 N PHE A 66 -6.602 1.742 -13.666 1.00 12.00 N ATOM 1017 CA PHE A 66 -6.648 0.556 -12.738 1.00 12.00 C ATOM 1018 C PHE A 66 -8.128 0.168 -12.479 1.00 12.00 C ATOM 1019 O PHE A 66 -8.513 -0.142 -11.369 1.00 12.00 O ATOM 1020 CB PHE A 66 -5.924 0.901 -11.421 1.00 12.00 C ATOM 1021 CG PHE A 66 -4.423 0.792 -11.626 1.00 12.00 C ATOM 1022 CD1 PHE A 66 -3.702 1.890 -12.123 1.00 12.00 C ATOM 1023 CD2 PHE A 66 -3.747 -0.408 -11.335 1.00 12.00 C ATOM 1024 CE1 PHE A 66 -2.320 1.790 -12.324 1.00 12.00 C ATOM 1025 CE2 PHE A 66 -2.368 -0.502 -11.543 1.00 12.00 C ATOM 1026 CZ PHE A 66 -1.655 0.594 -12.036 1.00 12.00 C ATOM 0 H PHE A 66 -6.707 2.650 -13.214 1.00 12.00 H new ATOM 0 HA PHE A 66 -6.140 -0.295 -13.191 1.00 12.00 H new ATOM 0 HB2 PHE A 66 -6.186 1.910 -11.103 1.00 12.00 H new ATOM 0 HB3 PHE A 66 -6.244 0.224 -10.629 1.00 12.00 H new ATOM 0 HD1 PHE A 66 -4.214 2.813 -12.351 1.00 12.00 H new ATOM 0 HD2 PHE A 66 -4.294 -1.256 -10.951 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -1.767 2.637 -12.702 1.00 12.00 H new ATOM 0 HE2 PHE A 66 -1.852 -1.425 -11.322 1.00 12.00 H new ATOM 0 HZ PHE A 66 -0.589 0.517 -12.195 1.00 12.00 H new ATOM 1036 N GLN A 67 -8.935 0.162 -13.538 1.00 12.00 N ATOM 1037 CA GLN A 67 -10.407 -0.220 -13.478 1.00 12.00 C ATOM 1038 C GLN A 67 -11.078 0.090 -12.123 1.00 12.00 C ATOM 1039 O GLN A 67 -10.873 -0.626 -11.156 1.00 12.00 O ATOM 1040 CB GLN A 67 -10.525 -1.718 -13.760 1.00 12.00 C ATOM 1041 CG GLN A 67 -10.231 -1.977 -15.240 1.00 12.00 C ATOM 1042 CD GLN A 67 -10.438 -3.457 -15.558 1.00 12.00 C ATOM 1043 OE1 GLN A 67 -11.441 -4.036 -15.192 1.00 12.00 O ATOM 1044 NE2 GLN A 67 -9.521 -4.101 -16.229 1.00 12.00 N ATOM 0 H GLN A 67 -8.620 0.416 -14.475 1.00 12.00 H new ATOM 0 HA GLN A 67 -10.926 0.382 -14.224 1.00 12.00 H new ATOM 0 HB2 GLN A 67 -9.826 -2.274 -13.135 1.00 12.00 H new ATOM 0 HB3 GLN A 67 -11.526 -2.070 -13.509 1.00 12.00 H new ATOM 0 HG2 GLN A 67 -10.886 -1.367 -15.862 1.00 12.00 H new ATOM 0 HG3 GLN A 67 -9.207 -1.685 -15.473 1.00 12.00 H new ATOM 0 HE21 GLN A 67 -8.679 -3.615 -16.537 1.00 12.00 H new ATOM 0 HE22 GLN A 67 -9.647 -5.090 -16.445 1.00 12.00 H new ATOM 1053 N LEU A 68 -11.899 1.134 -12.055 1.00 12.00 N ATOM 1054 CA LEU A 68 -12.589 1.461 -10.763 1.00 12.00 C ATOM 1055 C LEU A 68 -14.065 1.038 -10.773 1.00 12.00 C ATOM 1056 O LEU A 68 -14.712 0.966 -11.808 1.00 12.00 O ATOM 1057 CB LEU A 68 -12.500 2.972 -10.439 1.00 12.00 C ATOM 1058 CG LEU A 68 -12.756 3.883 -11.665 1.00 12.00 C ATOM 1059 CD1 LEU A 68 -14.013 3.465 -12.434 1.00 12.00 C ATOM 1060 CD2 LEU A 68 -12.969 5.313 -11.157 1.00 12.00 C ATOM 0 H LEU A 68 -12.112 1.759 -12.832 1.00 12.00 H new ATOM 0 HA LEU A 68 -12.068 0.895 -9.991 1.00 12.00 H new ATOM 0 HB2 LEU A 68 -13.224 3.212 -9.661 1.00 12.00 H new ATOM 0 HB3 LEU A 68 -11.512 3.191 -10.034 1.00 12.00 H new ATOM 0 HG LEU A 68 -11.899 3.805 -12.335 1.00 12.00 H new ATOM 0 HD11 LEU A 68 -14.156 4.130 -13.286 1.00 12.00 H new ATOM 0 HD12 LEU A 68 -13.899 2.440 -12.788 1.00 12.00 H new ATOM 0 HD13 LEU A 68 -14.880 3.527 -11.776 1.00 12.00 H new ATOM 0 HD21 LEU A 68 -13.152 5.976 -12.003 1.00 12.00 H new ATOM 0 HD22 LEU A 68 -13.827 5.336 -10.485 1.00 12.00 H new ATOM 0 HD23 LEU A 68 -12.080 5.645 -10.621 1.00 12.00 H new ATOM 1072 N ASN A 69 -14.592 0.800 -9.594 1.00 12.00 N ATOM 1073 CA ASN A 69 -16.038 0.435 -9.426 1.00 12.00 C ATOM 1074 C ASN A 69 -16.650 1.561 -8.594 1.00 12.00 C ATOM 1075 O ASN A 69 -16.493 1.587 -7.383 1.00 12.00 O ATOM 1076 CB ASN A 69 -16.170 -0.897 -8.675 1.00 12.00 C ATOM 1077 CG ASN A 69 -17.521 -1.532 -9.006 1.00 12.00 C ATOM 1078 OD1 ASN A 69 -18.264 -1.904 -8.120 1.00 12.00 O ATOM 1079 ND2 ASN A 69 -17.871 -1.675 -10.255 1.00 12.00 N ATOM 0 H ASN A 69 -14.068 0.845 -8.720 1.00 12.00 H new ATOM 0 HA ASN A 69 -16.536 0.318 -10.388 1.00 12.00 H new ATOM 0 HB2 ASN A 69 -15.360 -1.569 -8.958 1.00 12.00 H new ATOM 0 HB3 ASN A 69 -16.086 -0.732 -7.601 1.00 12.00 H new ATOM 0 HD21 ASN A 69 -18.769 -2.099 -10.488 1.00 12.00 H new ATOM 0 HD22 ASN A 69 -17.247 -1.362 -10.999 1.00 12.00 H new ATOM 1086 N THR A 70 -17.283 2.529 -9.231 1.00 12.00 N ATOM 1087 CA THR A 70 -17.825 3.700 -8.461 1.00 12.00 C ATOM 1088 C THR A 70 -19.317 3.592 -8.189 1.00 12.00 C ATOM 1089 O THR A 70 -20.133 3.554 -9.096 1.00 12.00 O ATOM 1090 CB THR A 70 -17.562 4.985 -9.251 1.00 12.00 C ATOM 1091 OG1 THR A 70 -16.224 4.980 -9.726 1.00 12.00 O ATOM 1092 CG2 THR A 70 -17.779 6.195 -8.339 1.00 12.00 C ATOM 0 H THR A 70 -17.445 2.557 -10.238 1.00 12.00 H new ATOM 0 HA THR A 70 -17.316 3.713 -7.497 1.00 12.00 H new ATOM 0 HB THR A 70 -18.247 5.042 -10.097 1.00 12.00 H new ATOM 0 HG1 THR A 70 -16.054 5.801 -10.234 1.00 12.00 H new ATOM 0 HG21 THR A 70 -17.592 7.111 -8.899 1.00 12.00 H new ATOM 0 HG22 THR A 70 -18.806 6.196 -7.974 1.00 12.00 H new ATOM 0 HG23 THR A 70 -17.093 6.141 -7.493 1.00 12.00 H new ATOM 1100 N CYS A 71 -19.657 3.638 -6.925 1.00 12.00 N ATOM 1101 CA CYS A 71 -21.085 3.650 -6.499 1.00 12.00 C ATOM 1102 C CYS A 71 -21.289 5.071 -5.995 1.00 12.00 C ATOM 1103 O CYS A 71 -20.762 5.430 -4.953 1.00 12.00 O ATOM 1104 CB CYS A 71 -21.328 2.634 -5.371 1.00 12.00 C ATOM 1105 SG CYS A 71 -20.776 0.990 -5.899 1.00 12.00 S ATOM 0 H CYS A 71 -18.988 3.668 -6.156 1.00 12.00 H new ATOM 0 HA CYS A 71 -21.771 3.377 -7.301 1.00 12.00 H new ATOM 0 HB2 CYS A 71 -20.790 2.938 -4.473 1.00 12.00 H new ATOM 0 HB3 CYS A 71 -22.387 2.607 -5.114 1.00 12.00 H new ATOM 1110 N THR A 72 -21.975 5.903 -6.750 1.00 12.00 N ATOM 1111 CA THR A 72 -22.122 7.337 -6.339 1.00 12.00 C ATOM 1112 C THR A 72 -23.571 7.709 -6.006 1.00 12.00 C ATOM 1113 O THR A 72 -24.506 7.270 -6.657 1.00 12.00 O ATOM 1114 CB THR A 72 -21.633 8.219 -7.494 1.00 12.00 C ATOM 1115 OG1 THR A 72 -20.392 7.720 -7.973 1.00 12.00 O ATOM 1116 CG2 THR A 72 -21.451 9.655 -7.003 1.00 12.00 C ATOM 0 H THR A 72 -22.435 5.652 -7.625 1.00 12.00 H new ATOM 0 HA THR A 72 -21.533 7.492 -5.435 1.00 12.00 H new ATOM 0 HB THR A 72 -22.368 8.205 -8.299 1.00 12.00 H new ATOM 0 HG1 THR A 72 -20.078 8.281 -8.713 1.00 12.00 H new ATOM 0 HG21 THR A 72 -21.103 10.280 -7.826 1.00 12.00 H new ATOM 0 HG22 THR A 72 -22.403 10.037 -6.635 1.00 12.00 H new ATOM 0 HG23 THR A 72 -20.717 9.674 -6.198 1.00 12.00 H new ATOM 1124 N ARG A 73 -23.738 8.557 -5.006 1.00 12.00 N ATOM 1125 CA ARG A 73 -25.095 9.035 -4.602 1.00 12.00 C ATOM 1126 C ARG A 73 -25.623 9.955 -5.710 1.00 12.00 C ATOM 1127 O ARG A 73 -25.106 11.047 -5.892 1.00 12.00 O ATOM 1128 CB ARG A 73 -24.967 9.825 -3.291 1.00 12.00 C ATOM 1129 CG ARG A 73 -26.339 10.340 -2.842 1.00 12.00 C ATOM 1130 CD ARG A 73 -26.263 10.777 -1.375 1.00 12.00 C ATOM 1131 NE ARG A 73 -25.893 12.220 -1.300 1.00 12.00 N ATOM 1132 CZ ARG A 73 -25.774 12.804 -0.138 1.00 12.00 C ATOM 1133 NH1 ARG A 73 -24.955 12.320 0.756 1.00 12.00 N ATOM 1134 NH2 ARG A 73 -26.469 13.878 0.130 1.00 12.00 N ATOM 0 H ARG A 73 -22.973 8.939 -4.449 1.00 12.00 H new ATOM 0 HA ARG A 73 -25.777 8.198 -4.455 1.00 12.00 H new ATOM 0 HB2 ARG A 73 -24.539 9.189 -2.516 1.00 12.00 H new ATOM 0 HB3 ARG A 73 -24.284 10.663 -3.429 1.00 12.00 H new ATOM 0 HG2 ARG A 73 -26.648 11.178 -3.467 1.00 12.00 H new ATOM 0 HG3 ARG A 73 -27.090 9.559 -2.962 1.00 12.00 H new ATOM 0 HD2 ARG A 73 -27.223 10.612 -0.886 1.00 12.00 H new ATOM 0 HD3 ARG A 73 -25.526 10.174 -0.843 1.00 12.00 H new ATOM 0 HE ARG A 73 -25.733 12.751 -2.156 1.00 12.00 H new ATOM 0 HH11 ARG A 73 -24.407 11.485 0.547 1.00 12.00 H new ATOM 0 HH12 ARG A 73 -24.863 12.777 1.663 1.00 12.00 H new ATOM 0 HH21 ARG A 73 -27.105 14.261 -0.569 1.00 12.00 H new ATOM 0 HH22 ARG A 73 -26.375 14.333 1.038 1.00 12.00 H new ATOM 1148 N THR A 74 -26.623 9.523 -6.465 1.00 12.00 N ATOM 1149 CA THR A 74 -27.148 10.383 -7.583 1.00 12.00 C ATOM 1150 C THR A 74 -28.669 10.233 -7.773 1.00 12.00 C ATOM 1151 O THR A 74 -29.429 11.096 -7.363 1.00 12.00 O ATOM 1152 CB THR A 74 -26.430 9.999 -8.885 1.00 12.00 C ATOM 1153 OG1 THR A 74 -26.279 8.587 -8.953 1.00 12.00 O ATOM 1154 CG2 THR A 74 -25.052 10.655 -8.920 1.00 12.00 C ATOM 0 H THR A 74 -27.090 8.623 -6.354 1.00 12.00 H new ATOM 0 HA THR A 74 -26.954 11.424 -7.324 1.00 12.00 H new ATOM 0 HB THR A 74 -27.021 10.341 -9.734 1.00 12.00 H new ATOM 0 HG1 THR A 74 -25.822 8.347 -9.786 1.00 12.00 H new ATOM 0 HG21 THR A 74 -24.543 10.382 -9.844 1.00 12.00 H new ATOM 0 HG22 THR A 74 -25.163 11.738 -8.873 1.00 12.00 H new ATOM 0 HG23 THR A 74 -24.465 10.313 -8.068 1.00 12.00 H new ATOM 1258 N CYS A 81 -28.818 3.714 0.571 1.00 12.00 N ATOM 1259 CA CYS A 81 -28.703 5.099 -0.005 1.00 12.00 C ATOM 1260 C CYS A 81 -28.925 5.042 -1.533 1.00 12.00 C ATOM 1261 O CYS A 81 -28.732 3.993 -2.118 1.00 12.00 O ATOM 1262 CB CYS A 81 -27.305 5.656 0.292 1.00 12.00 C ATOM 1263 SG CYS A 81 -27.383 6.758 1.727 1.00 12.00 S ATOM 0 HA CYS A 81 -29.456 5.746 0.444 1.00 12.00 H new ATOM 0 HB2 CYS A 81 -26.610 4.839 0.486 1.00 12.00 H new ATOM 0 HB3 CYS A 81 -26.926 6.197 -0.575 1.00 12.00 H new ATOM 1268 N PRO A 82 -29.312 6.160 -2.157 1.00 12.00 N ATOM 1269 CA PRO A 82 -29.545 6.195 -3.621 1.00 12.00 C ATOM 1270 C PRO A 82 -28.199 6.124 -4.355 1.00 12.00 C ATOM 1271 O PRO A 82 -27.588 7.136 -4.633 1.00 12.00 O ATOM 1272 CB PRO A 82 -30.254 7.537 -3.851 1.00 12.00 C ATOM 1273 CG PRO A 82 -29.895 8.429 -2.644 1.00 12.00 C ATOM 1274 CD PRO A 82 -29.536 7.474 -1.489 1.00 12.00 C ATOM 0 HA PRO A 82 -30.139 5.360 -3.994 1.00 12.00 H new ATOM 0 HB2 PRO A 82 -29.926 7.995 -4.784 1.00 12.00 H new ATOM 0 HB3 PRO A 82 -31.333 7.399 -3.925 1.00 12.00 H new ATOM 0 HG2 PRO A 82 -29.057 9.084 -2.881 1.00 12.00 H new ATOM 0 HG3 PRO A 82 -30.734 9.070 -2.372 1.00 12.00 H new ATOM 0 HD2 PRO A 82 -28.644 7.808 -0.958 1.00 12.00 H new ATOM 0 HD3 PRO A 82 -30.340 7.416 -0.756 1.00 12.00 H new ATOM 1282 N TYR A 83 -27.734 4.920 -4.648 1.00 12.00 N ATOM 1283 CA TYR A 83 -26.401 4.752 -5.339 1.00 12.00 C ATOM 1284 C TYR A 83 -26.520 4.006 -6.670 1.00 12.00 C ATOM 1285 O TYR A 83 -27.233 3.026 -6.791 1.00 12.00 O ATOM 1286 CB TYR A 83 -25.437 3.963 -4.437 1.00 12.00 C ATOM 1287 CG TYR A 83 -24.716 4.911 -3.523 1.00 12.00 C ATOM 1288 CD1 TYR A 83 -25.428 5.723 -2.634 1.00 12.00 C ATOM 1289 CD2 TYR A 83 -23.325 4.986 -3.582 1.00 12.00 C ATOM 1290 CE1 TYR A 83 -24.738 6.606 -1.799 1.00 12.00 C ATOM 1291 CE2 TYR A 83 -22.638 5.867 -2.752 1.00 12.00 C ATOM 1292 CZ TYR A 83 -23.342 6.679 -1.860 1.00 12.00 C ATOM 1293 OH TYR A 83 -22.660 7.544 -1.033 1.00 12.00 O ATOM 0 H TYR A 83 -28.220 4.048 -4.438 1.00 12.00 H new ATOM 0 HA TYR A 83 -26.025 5.756 -5.536 1.00 12.00 H new ATOM 0 HB2 TYR A 83 -25.989 3.227 -3.853 1.00 12.00 H new ATOM 0 HB3 TYR A 83 -24.720 3.413 -5.047 1.00 12.00 H new ATOM 0 HD1 TYR A 83 -26.506 5.668 -2.593 1.00 12.00 H new ATOM 0 HD2 TYR A 83 -22.780 4.360 -4.273 1.00 12.00 H new ATOM 0 HE1 TYR A 83 -25.282 7.232 -1.107 1.00 12.00 H new ATOM 0 HE2 TYR A 83 -21.560 5.923 -2.798 1.00 12.00 H new ATOM 0 HH TYR A 83 -23.127 8.405 -1.003 1.00 12.00 H new ATOM 1303 N SER A 84 -25.764 4.461 -7.649 1.00 12.00 N ATOM 1304 CA SER A 84 -25.733 3.795 -8.998 1.00 12.00 C ATOM 1305 C SER A 84 -24.295 3.325 -9.249 1.00 12.00 C ATOM 1306 O SER A 84 -23.364 4.114 -9.172 1.00 12.00 O ATOM 1307 CB SER A 84 -26.149 4.794 -10.086 1.00 12.00 C ATOM 1308 OG SER A 84 -27.218 5.600 -9.602 1.00 12.00 O ATOM 0 H SER A 84 -25.158 5.278 -7.568 1.00 12.00 H new ATOM 0 HA SER A 84 -26.424 2.953 -9.023 1.00 12.00 H new ATOM 0 HB2 SER A 84 -25.302 5.422 -10.363 1.00 12.00 H new ATOM 0 HB3 SER A 84 -26.458 4.262 -10.985 1.00 12.00 H new ATOM 0 HG SER A 84 -26.884 6.499 -9.400 1.00 12.00 H new ATOM 1314 N SER A 85 -24.106 2.046 -9.518 1.00 12.00 N ATOM 1315 CA SER A 85 -22.725 1.503 -9.745 1.00 12.00 C ATOM 1316 C SER A 85 -22.380 1.513 -11.236 1.00 12.00 C ATOM 1317 O SER A 85 -23.222 1.251 -12.079 1.00 12.00 O ATOM 1318 CB SER A 85 -22.647 0.068 -9.220 1.00 12.00 C ATOM 1319 OG SER A 85 -23.277 -0.004 -7.948 1.00 12.00 O ATOM 0 H SER A 85 -24.854 1.356 -9.589 1.00 12.00 H new ATOM 0 HA SER A 85 -22.012 2.134 -9.214 1.00 12.00 H new ATOM 0 HB2 SER A 85 -23.133 -0.613 -9.918 1.00 12.00 H new ATOM 0 HB3 SER A 85 -21.606 -0.246 -9.141 1.00 12.00 H new ATOM 0 HG SER A 85 -22.611 0.146 -7.244 1.00 12.00 H new ATOM 1325 N ARG A 86 -21.133 1.808 -11.552 1.00 12.00 N ATOM 1326 CA ARG A 86 -20.675 1.838 -12.980 1.00 12.00 C ATOM 1327 C ARG A 86 -19.161 1.601 -13.035 1.00 12.00 C ATOM 1328 O ARG A 86 -18.407 2.215 -12.295 1.00 12.00 O ATOM 1329 CB ARG A 86 -20.994 3.201 -13.595 1.00 12.00 C ATOM 1330 CG ARG A 86 -20.930 3.100 -15.123 1.00 12.00 C ATOM 1331 CD ARG A 86 -22.312 2.746 -15.685 1.00 12.00 C ATOM 1332 NE ARG A 86 -22.228 1.468 -16.445 1.00 12.00 N ATOM 1333 CZ ARG A 86 -23.312 0.929 -16.931 1.00 12.00 C ATOM 1334 NH1 ARG A 86 -24.335 0.712 -16.153 1.00 12.00 N ATOM 1335 NH2 ARG A 86 -23.370 0.609 -18.194 1.00 12.00 N ATOM 0 H ARG A 86 -20.408 2.031 -10.870 1.00 12.00 H new ATOM 0 HA ARG A 86 -21.190 1.057 -13.540 1.00 12.00 H new ATOM 0 HB2 ARG A 86 -21.985 3.530 -13.283 1.00 12.00 H new ATOM 0 HB3 ARG A 86 -20.284 3.948 -13.239 1.00 12.00 H new ATOM 0 HG2 ARG A 86 -20.589 4.046 -15.544 1.00 12.00 H new ATOM 0 HG3 ARG A 86 -20.204 2.341 -15.415 1.00 12.00 H new ATOM 0 HD2 ARG A 86 -23.033 2.652 -14.873 1.00 12.00 H new ATOM 0 HD3 ARG A 86 -22.667 3.545 -16.335 1.00 12.00 H new ATOM 0 HE ARG A 86 -21.325 1.015 -16.585 1.00 12.00 H new ATOM 0 HH11 ARG A 86 -24.287 0.964 -15.166 1.00 12.00 H new ATOM 0 HH12 ARG A 86 -25.183 0.291 -16.532 1.00 12.00 H new ATOM 0 HH21 ARG A 86 -22.568 0.780 -18.801 1.00 12.00 H new ATOM 0 HH22 ARG A 86 -24.217 0.187 -18.575 1.00 12.00 H new ATOM 1349 N THR A 87 -18.718 0.719 -13.912 1.00 12.00 N ATOM 1350 CA THR A 87 -17.249 0.425 -14.042 1.00 12.00 C ATOM 1351 C THR A 87 -16.654 1.337 -15.119 1.00 12.00 C ATOM 1352 O THR A 87 -17.335 1.700 -16.065 1.00 12.00 O ATOM 1353 CB THR A 87 -17.047 -1.042 -14.448 1.00 12.00 C ATOM 1354 OG1 THR A 87 -17.998 -1.861 -13.780 1.00 12.00 O ATOM 1355 CG2 THR A 87 -15.635 -1.495 -14.070 1.00 12.00 C ATOM 0 H THR A 87 -19.316 0.189 -14.545 1.00 12.00 H new ATOM 0 HA THR A 87 -16.754 0.603 -13.087 1.00 12.00 H new ATOM 0 HB THR A 87 -17.181 -1.134 -15.526 1.00 12.00 H new ATOM 0 HG1 THR A 87 -17.867 -2.796 -14.043 1.00 12.00 H new ATOM 0 HG21 THR A 87 -15.497 -2.537 -14.360 1.00 12.00 H new ATOM 0 HG22 THR A 87 -14.903 -0.874 -14.587 1.00 12.00 H new ATOM 0 HG23 THR A 87 -15.498 -1.397 -12.993 1.00 12.00 H new ATOM 1363 N GLU A 88 -15.394 1.708 -14.977 1.00 12.00 N ATOM 1364 CA GLU A 88 -14.747 2.606 -15.993 1.00 12.00 C ATOM 1365 C GLU A 88 -13.230 2.676 -15.762 1.00 12.00 C ATOM 1366 O GLU A 88 -12.674 1.923 -14.980 1.00 12.00 O ATOM 1367 CB GLU A 88 -15.352 4.015 -15.874 1.00 12.00 C ATOM 1368 CG GLU A 88 -15.984 4.427 -17.207 1.00 12.00 C ATOM 1369 CD GLU A 88 -16.753 5.738 -17.027 1.00 12.00 C ATOM 1370 OE1 GLU A 88 -16.159 6.690 -16.549 1.00 12.00 O ATOM 1371 OE2 GLU A 88 -17.924 5.766 -17.369 1.00 12.00 O ATOM 0 H GLU A 88 -14.791 1.427 -14.204 1.00 12.00 H new ATOM 0 HA GLU A 88 -14.927 2.204 -16.990 1.00 12.00 H new ATOM 0 HB2 GLU A 88 -16.104 4.032 -15.085 1.00 12.00 H new ATOM 0 HB3 GLU A 88 -14.578 4.729 -15.592 1.00 12.00 H new ATOM 0 HG2 GLU A 88 -15.211 4.548 -17.966 1.00 12.00 H new ATOM 0 HG3 GLU A 88 -16.656 3.645 -17.560 1.00 12.00 H new ATOM 1378 N THR A 89 -12.576 3.589 -16.451 1.00 12.00 N ATOM 1379 CA THR A 89 -11.090 3.770 -16.321 1.00 12.00 C ATOM 1380 C THR A 89 -10.769 4.293 -14.920 1.00 12.00 C ATOM 1381 O THR A 89 -11.481 5.138 -14.401 1.00 12.00 O ATOM 1382 CB THR A 89 -10.633 4.793 -17.385 1.00 12.00 C ATOM 1383 OG1 THR A 89 -10.852 4.249 -18.680 1.00 12.00 O ATOM 1384 CG2 THR A 89 -9.144 5.118 -17.220 1.00 12.00 C ATOM 0 H THR A 89 -13.020 4.228 -17.110 1.00 12.00 H new ATOM 0 HA THR A 89 -10.572 2.823 -16.472 1.00 12.00 H new ATOM 0 HB THR A 89 -11.208 5.711 -17.259 1.00 12.00 H new ATOM 0 HG1 THR A 89 -10.565 4.895 -19.359 1.00 12.00 H new ATOM 0 HG21 THR A 89 -8.843 5.840 -17.979 1.00 12.00 H new ATOM 0 HG22 THR A 89 -8.971 5.539 -16.230 1.00 12.00 H new ATOM 0 HG23 THR A 89 -8.558 4.206 -17.334 1.00 12.00 H new ATOM 1392 N ASN A 90 -9.705 3.793 -14.306 1.00 12.00 N ATOM 1393 CA ASN A 90 -9.352 4.272 -12.923 1.00 12.00 C ATOM 1394 C ASN A 90 -8.113 5.173 -12.916 1.00 12.00 C ATOM 1395 O ASN A 90 -7.000 4.744 -12.652 1.00 12.00 O ATOM 1396 CB ASN A 90 -9.147 3.103 -11.952 1.00 12.00 C ATOM 1397 CG ASN A 90 -9.097 3.646 -10.515 1.00 12.00 C ATOM 1398 OD1 ASN A 90 -9.815 4.567 -10.171 1.00 12.00 O ATOM 1399 ND2 ASN A 90 -8.267 3.118 -9.656 1.00 12.00 N ATOM 0 H ASN A 90 -9.080 3.088 -14.698 1.00 12.00 H new ATOM 0 HA ASN A 90 -10.203 4.864 -12.586 1.00 12.00 H new ATOM 0 HB2 ASN A 90 -9.959 2.383 -12.054 1.00 12.00 H new ATOM 0 HB3 ASN A 90 -8.222 2.576 -12.187 1.00 12.00 H new ATOM 0 HD21 ASN A 90 -8.223 3.477 -8.702 1.00 12.00 H new ATOM 0 HD22 ASN A 90 -7.663 2.346 -9.939 1.00 12.00 H new ATOM 1406 N TYR A 91 -8.341 6.443 -13.127 1.00 12.00 N ATOM 1407 CA TYR A 91 -7.246 7.458 -13.055 1.00 12.00 C ATOM 1408 C TYR A 91 -7.403 8.080 -11.670 1.00 12.00 C ATOM 1409 O TYR A 91 -8.335 8.840 -11.447 1.00 12.00 O ATOM 1410 CB TYR A 91 -7.447 8.520 -14.139 1.00 12.00 C ATOM 1411 CG TYR A 91 -6.132 9.199 -14.438 1.00 12.00 C ATOM 1412 CD1 TYR A 91 -5.261 8.655 -15.392 1.00 12.00 C ATOM 1413 CD2 TYR A 91 -5.785 10.377 -13.766 1.00 12.00 C ATOM 1414 CE1 TYR A 91 -4.044 9.289 -15.671 1.00 12.00 C ATOM 1415 CE2 TYR A 91 -4.568 11.010 -14.045 1.00 12.00 C ATOM 1416 CZ TYR A 91 -3.698 10.468 -14.997 1.00 12.00 C ATOM 1417 OH TYR A 91 -2.500 11.096 -15.274 1.00 12.00 O ATOM 0 H TYR A 91 -9.259 6.828 -13.351 1.00 12.00 H new ATOM 0 HA TYR A 91 -6.257 7.026 -13.210 1.00 12.00 H new ATOM 0 HB2 TYR A 91 -7.843 8.059 -15.044 1.00 12.00 H new ATOM 0 HB3 TYR A 91 -8.180 9.256 -13.809 1.00 12.00 H new ATOM 0 HD1 TYR A 91 -5.528 7.747 -15.912 1.00 12.00 H new ATOM 0 HD2 TYR A 91 -6.456 10.798 -13.032 1.00 12.00 H new ATOM 0 HE1 TYR A 91 -3.372 8.870 -16.405 1.00 12.00 H new ATOM 0 HE2 TYR A 91 -4.300 11.918 -13.525 1.00 12.00 H new ATOM 0 HH TYR A 91 -2.417 11.900 -14.720 1.00 12.00 H new ATOM 1427 N ILE A 92 -6.573 7.699 -10.716 1.00 12.00 N ATOM 1428 CA ILE A 92 -6.771 8.206 -9.316 1.00 12.00 C ATOM 1429 C ILE A 92 -5.522 8.903 -8.750 1.00 12.00 C ATOM 1430 O ILE A 92 -4.451 8.856 -9.323 1.00 12.00 O ATOM 1431 CB ILE A 92 -7.181 6.987 -8.454 1.00 12.00 C ATOM 1432 CG1 ILE A 92 -7.752 7.445 -7.110 1.00 12.00 C ATOM 1433 CG2 ILE A 92 -5.984 6.049 -8.219 1.00 12.00 C ATOM 1434 CD1 ILE A 92 -8.600 6.321 -6.513 1.00 12.00 C ATOM 0 H ILE A 92 -5.781 7.070 -10.846 1.00 12.00 H new ATOM 0 HA ILE A 92 -7.546 8.973 -9.308 1.00 12.00 H new ATOM 0 HB ILE A 92 -7.950 6.439 -8.999 1.00 12.00 H new ATOM 0 HG12 ILE A 92 -6.943 7.707 -6.428 1.00 12.00 H new ATOM 0 HG13 ILE A 92 -8.358 8.341 -7.245 1.00 12.00 H new ATOM 0 HG21 ILE A 92 -6.300 5.201 -7.611 1.00 12.00 H new ATOM 0 HG22 ILE A 92 -5.610 5.689 -9.178 1.00 12.00 H new ATOM 0 HG23 ILE A 92 -5.193 6.592 -7.702 1.00 12.00 H new ATOM 0 HD11 ILE A 92 -9.009 6.643 -5.555 1.00 12.00 H new ATOM 0 HD12 ILE A 92 -9.417 6.081 -7.194 1.00 12.00 H new ATOM 0 HD13 ILE A 92 -7.980 5.437 -6.364 1.00 12.00 H new ATOM 1446 N CYS A 93 -5.689 9.550 -7.616 1.00 12.00 N ATOM 1447 CA CYS A 93 -4.566 10.271 -6.934 1.00 12.00 C ATOM 1448 C CYS A 93 -4.260 9.548 -5.617 1.00 12.00 C ATOM 1449 O CYS A 93 -5.041 9.604 -4.676 1.00 12.00 O ATOM 1450 CB CYS A 93 -4.996 11.712 -6.647 1.00 12.00 C ATOM 1451 SG CYS A 93 -3.592 12.659 -6.015 1.00 12.00 S ATOM 0 H CYS A 93 -6.581 9.608 -7.125 1.00 12.00 H new ATOM 0 HA CYS A 93 -3.678 10.283 -7.566 1.00 12.00 H new ATOM 0 HB2 CYS A 93 -5.378 12.175 -7.557 1.00 12.00 H new ATOM 0 HB3 CYS A 93 -5.808 11.720 -5.920 1.00 12.00 H new ATOM 0 HG CYS A 93 -3.965 13.881 -5.776 1.00 12.00 H new ATOM 1456 N VAL A 94 -3.141 8.853 -5.566 1.00 12.00 N ATOM 1457 CA VAL A 94 -2.757 8.084 -4.340 1.00 12.00 C ATOM 1458 C VAL A 94 -1.338 8.473 -3.910 1.00 12.00 C ATOM 1459 O VAL A 94 -0.765 9.409 -4.446 1.00 12.00 O ATOM 1460 CB VAL A 94 -2.820 6.587 -4.673 1.00 12.00 C ATOM 1461 CG1 VAL A 94 -4.216 6.263 -5.206 1.00 12.00 C ATOM 1462 CG2 VAL A 94 -1.782 6.245 -5.753 1.00 12.00 C ATOM 0 H VAL A 94 -2.473 8.788 -6.334 1.00 12.00 H new ATOM 0 HA VAL A 94 -3.439 8.310 -3.520 1.00 12.00 H new ATOM 0 HB VAL A 94 -2.609 6.005 -3.776 1.00 12.00 H new ATOM 0 HG11 VAL A 94 -4.276 5.202 -5.447 1.00 12.00 H new ATOM 0 HG12 VAL A 94 -4.960 6.505 -4.448 1.00 12.00 H new ATOM 0 HG13 VAL A 94 -4.408 6.851 -6.104 1.00 12.00 H new ATOM 0 HG21 VAL A 94 -1.834 5.181 -5.983 1.00 12.00 H new ATOM 0 HG22 VAL A 94 -1.991 6.822 -6.654 1.00 12.00 H new ATOM 0 HG23 VAL A 94 -0.784 6.489 -5.389 1.00 12.00 H new ATOM 1472 N LYS A 95 -0.768 7.752 -2.961 1.00 12.00 N ATOM 1473 CA LYS A 95 0.619 8.074 -2.507 1.00 12.00 C ATOM 1474 C LYS A 95 1.364 6.803 -2.082 1.00 12.00 C ATOM 1475 O LYS A 95 0.754 5.773 -1.828 1.00 12.00 O ATOM 1476 CB LYS A 95 0.566 9.060 -1.346 1.00 12.00 C ATOM 1477 CG LYS A 95 0.150 10.441 -1.860 1.00 12.00 C ATOM 1478 CD LYS A 95 -1.359 10.620 -1.672 1.00 12.00 C ATOM 1479 CE LYS A 95 -1.633 11.348 -0.349 1.00 12.00 C ATOM 1480 NZ LYS A 95 -2.119 12.736 -0.620 1.00 12.00 N ATOM 0 H LYS A 95 -1.206 6.961 -2.489 1.00 12.00 H new ATOM 0 HA LYS A 95 1.159 8.524 -3.340 1.00 12.00 H new ATOM 0 HB2 LYS A 95 -0.142 8.713 -0.594 1.00 12.00 H new ATOM 0 HB3 LYS A 95 1.541 9.120 -0.862 1.00 12.00 H new ATOM 0 HG2 LYS A 95 0.690 11.220 -1.321 1.00 12.00 H new ATOM 0 HG3 LYS A 95 0.411 10.543 -2.913 1.00 12.00 H new ATOM 0 HD2 LYS A 95 -1.774 11.189 -2.504 1.00 12.00 H new ATOM 0 HD3 LYS A 95 -1.853 9.648 -1.673 1.00 12.00 H new ATOM 0 HE2 LYS A 95 -2.377 10.800 0.230 1.00 12.00 H new ATOM 0 HE3 LYS A 95 -0.724 11.383 0.251 1.00 12.00 H new ATOM 0 HZ1 LYS A 95 -1.592 13.410 -0.029 1.00 12.00 H new ATOM 0 HZ2 LYS A 95 -1.971 12.966 -1.623 1.00 12.00 H new ATOM 0 HZ3 LYS A 95 -3.133 12.799 -0.396 1.00 12.00 H new ATOM 1494 N CYS A 96 2.687 6.871 -2.029 1.00 12.00 N ATOM 1495 CA CYS A 96 3.506 5.668 -1.659 1.00 12.00 C ATOM 1496 C CYS A 96 4.377 5.924 -0.415 1.00 12.00 C ATOM 1497 O CYS A 96 5.158 6.853 -0.364 1.00 12.00 O ATOM 1498 CB CYS A 96 4.439 5.298 -2.825 1.00 12.00 C ATOM 1499 SG CYS A 96 3.645 5.633 -4.423 1.00 12.00 S ATOM 0 H CYS A 96 3.229 7.712 -2.228 1.00 12.00 H new ATOM 0 HA CYS A 96 2.809 4.859 -1.440 1.00 12.00 H new ATOM 0 HB2 CYS A 96 5.366 5.867 -2.749 1.00 12.00 H new ATOM 0 HB3 CYS A 96 4.706 4.243 -2.761 1.00 12.00 H new ATOM 1504 N GLU A 97 4.277 5.039 0.546 1.00 12.00 N ATOM 1505 CA GLU A 97 5.108 5.096 1.795 1.00 12.00 C ATOM 1506 C GLU A 97 5.326 3.631 2.193 1.00 12.00 C ATOM 1507 O GLU A 97 4.481 2.792 1.919 1.00 12.00 O ATOM 1508 CB GLU A 97 4.395 5.901 2.899 1.00 12.00 C ATOM 1509 CG GLU A 97 4.948 5.555 4.291 1.00 12.00 C ATOM 1510 CD GLU A 97 4.207 6.364 5.357 1.00 12.00 C ATOM 1511 OE1 GLU A 97 4.575 7.507 5.566 1.00 12.00 O ATOM 1512 OE2 GLU A 97 3.284 5.825 5.948 1.00 12.00 O ATOM 0 H GLU A 97 3.631 4.250 0.517 1.00 12.00 H new ATOM 0 HA GLU A 97 6.058 5.608 1.639 1.00 12.00 H new ATOM 0 HB2 GLU A 97 4.519 6.968 2.711 1.00 12.00 H new ATOM 0 HB3 GLU A 97 3.325 5.694 2.869 1.00 12.00 H new ATOM 0 HG2 GLU A 97 4.832 4.489 4.484 1.00 12.00 H new ATOM 0 HG3 GLU A 97 6.015 5.772 4.333 1.00 12.00 H new ATOM 1519 N ASN A 98 6.461 3.298 2.779 1.00 12.00 N ATOM 1520 CA ASN A 98 6.733 1.851 3.107 1.00 12.00 C ATOM 1521 C ASN A 98 6.690 1.031 1.784 1.00 12.00 C ATOM 1522 O ASN A 98 6.538 -0.175 1.797 1.00 12.00 O ATOM 1523 CB ASN A 98 5.652 1.334 4.065 1.00 12.00 C ATOM 1524 CG ASN A 98 6.177 1.362 5.502 1.00 12.00 C ATOM 1525 OD1 ASN A 98 6.726 0.390 5.979 1.00 12.00 O ATOM 1526 ND2 ASN A 98 6.028 2.443 6.219 1.00 12.00 N ATOM 0 H ASN A 98 7.199 3.952 3.040 1.00 12.00 H new ATOM 0 HA ASN A 98 7.709 1.749 3.581 1.00 12.00 H new ATOM 0 HB2 ASN A 98 4.756 1.949 3.983 1.00 12.00 H new ATOM 0 HB3 ASN A 98 5.367 0.318 3.792 1.00 12.00 H new ATOM 0 HD21 ASN A 98 6.373 2.470 7.179 1.00 12.00 H new ATOM 0 HD22 ASN A 98 5.567 3.260 5.819 1.00 12.00 H new ATOM 1533 N GLN A 99 6.812 1.713 0.646 1.00 12.00 N ATOM 1534 CA GLN A 99 6.784 1.073 -0.714 1.00 12.00 C ATOM 1535 C GLN A 99 5.384 0.565 -1.103 1.00 12.00 C ATOM 1536 O GLN A 99 5.182 0.166 -2.240 1.00 12.00 O ATOM 1537 CB GLN A 99 7.816 -0.063 -0.801 1.00 12.00 C ATOM 1538 CG GLN A 99 9.165 0.492 -1.286 1.00 12.00 C ATOM 1539 CD GLN A 99 9.469 -0.023 -2.695 1.00 12.00 C ATOM 1540 OE1 GLN A 99 10.511 -0.605 -2.930 1.00 12.00 O ATOM 1541 NE2 GLN A 99 8.599 0.167 -3.648 1.00 12.00 N ATOM 0 H GLN A 99 6.934 2.725 0.616 1.00 12.00 H new ATOM 0 HA GLN A 99 7.049 1.849 -1.432 1.00 12.00 H new ATOM 0 HB2 GLN A 99 7.936 -0.533 0.175 1.00 12.00 H new ATOM 0 HB3 GLN A 99 7.463 -0.835 -1.485 1.00 12.00 H new ATOM 0 HG2 GLN A 99 9.140 1.582 -1.286 1.00 12.00 H new ATOM 0 HG3 GLN A 99 9.958 0.191 -0.601 1.00 12.00 H new ATOM 0 HE21 GLN A 99 7.725 0.655 -3.451 1.00 12.00 H new ATOM 0 HE22 GLN A 99 8.792 -0.172 -4.590 1.00 12.00 H new ATOM 1550 N TYR A 100 4.412 0.617 -0.212 1.00 12.00 N ATOM 1551 CA TYR A 100 3.021 0.189 -0.573 1.00 12.00 C ATOM 1552 C TYR A 100 2.167 1.467 -0.593 1.00 12.00 C ATOM 1553 O TYR A 100 2.418 2.360 0.203 1.00 12.00 O ATOM 1554 CB TYR A 100 2.511 -0.899 0.437 1.00 12.00 C ATOM 1555 CG TYR A 100 1.379 -0.446 1.380 1.00 12.00 C ATOM 1556 CD1 TYR A 100 0.107 -0.089 0.880 1.00 12.00 C ATOM 1557 CD2 TYR A 100 1.602 -0.416 2.766 1.00 12.00 C ATOM 1558 CE1 TYR A 100 -0.918 0.295 1.763 1.00 12.00 C ATOM 1559 CE2 TYR A 100 0.575 -0.035 3.642 1.00 12.00 C ATOM 1560 CZ TYR A 100 -0.687 0.322 3.138 1.00 12.00 C ATOM 1561 OH TYR A 100 -1.709 0.695 3.997 1.00 12.00 O ATOM 0 H TYR A 100 4.527 0.938 0.749 1.00 12.00 H new ATOM 0 HA TYR A 100 2.968 -0.287 -1.552 1.00 12.00 H new ATOM 0 HB2 TYR A 100 2.165 -1.763 -0.130 1.00 12.00 H new ATOM 0 HB3 TYR A 100 3.354 -1.232 1.042 1.00 12.00 H new ATOM 0 HD1 TYR A 100 -0.079 -0.111 -0.184 1.00 12.00 H new ATOM 0 HD2 TYR A 100 2.570 -0.688 3.160 1.00 12.00 H new ATOM 0 HE1 TYR A 100 -1.888 0.570 1.375 1.00 12.00 H new ATOM 0 HE2 TYR A 100 0.755 -0.016 4.707 1.00 12.00 H new ATOM 0 HH TYR A 100 -2.312 1.317 3.538 1.00 12.00 H new ATOM 1571 N PRO A 101 1.191 1.544 -1.489 1.00 12.00 N ATOM 1572 CA PRO A 101 0.330 2.735 -1.578 1.00 12.00 C ATOM 1573 C PRO A 101 -0.484 2.801 -0.303 1.00 12.00 C ATOM 1574 O PRO A 101 -1.423 2.065 -0.151 1.00 12.00 O ATOM 1575 CB PRO A 101 -0.529 2.484 -2.823 1.00 12.00 C ATOM 1576 CG PRO A 101 -0.489 0.960 -3.072 1.00 12.00 C ATOM 1577 CD PRO A 101 0.827 0.464 -2.444 1.00 12.00 C ATOM 0 HA PRO A 101 0.855 3.686 -1.671 1.00 12.00 H new ATOM 0 HB2 PRO A 101 -1.552 2.826 -2.666 1.00 12.00 H new ATOM 0 HB3 PRO A 101 -0.139 3.029 -3.682 1.00 12.00 H new ATOM 0 HG2 PRO A 101 -1.349 0.467 -2.618 1.00 12.00 H new ATOM 0 HG3 PRO A 101 -0.521 0.738 -4.139 1.00 12.00 H new ATOM 0 HD2 PRO A 101 0.693 -0.491 -1.936 1.00 12.00 H new ATOM 0 HD3 PRO A 101 1.601 0.319 -3.198 1.00 12.00 H new ATOM 1585 N VAL A 102 -0.077 3.632 0.637 1.00 12.00 N ATOM 1586 CA VAL A 102 -0.795 3.685 1.959 1.00 12.00 C ATOM 1587 C VAL A 102 -1.428 5.055 2.233 1.00 12.00 C ATOM 1588 O VAL A 102 -1.956 5.272 3.311 1.00 12.00 O ATOM 1589 CB VAL A 102 0.201 3.336 3.079 1.00 12.00 C ATOM 1590 CG1 VAL A 102 1.282 4.418 3.183 1.00 12.00 C ATOM 1591 CG2 VAL A 102 -0.544 3.223 4.417 1.00 12.00 C ATOM 0 H VAL A 102 0.714 4.270 0.547 1.00 12.00 H new ATOM 0 HA VAL A 102 -1.610 2.962 1.927 1.00 12.00 H new ATOM 0 HB VAL A 102 0.675 2.383 2.844 1.00 12.00 H new ATOM 0 HG11 VAL A 102 1.980 4.159 3.979 1.00 12.00 H new ATOM 0 HG12 VAL A 102 1.819 4.488 2.237 1.00 12.00 H new ATOM 0 HG13 VAL A 102 0.816 5.378 3.407 1.00 12.00 H new ATOM 0 HG21 VAL A 102 0.164 2.976 5.208 1.00 12.00 H new ATOM 0 HG22 VAL A 102 -1.027 4.173 4.646 1.00 12.00 H new ATOM 0 HG23 VAL A 102 -1.299 2.440 4.348 1.00 12.00 H new ATOM 1601 N HIS A 103 -1.421 5.960 1.281 1.00 12.00 N ATOM 1602 CA HIS A 103 -2.071 7.285 1.516 1.00 12.00 C ATOM 1603 C HIS A 103 -2.998 7.560 0.340 1.00 12.00 C ATOM 1604 O HIS A 103 -2.613 7.377 -0.805 1.00 12.00 O ATOM 1605 CB HIS A 103 -1.069 8.461 1.684 1.00 12.00 C ATOM 1606 CG HIS A 103 0.394 8.044 1.671 1.00 12.00 C ATOM 1607 ND1 HIS A 103 1.333 8.716 2.442 1.00 12.00 N ATOM 1608 CD2 HIS A 103 1.114 7.109 0.955 1.00 12.00 C ATOM 1609 CE1 HIS A 103 2.537 8.190 2.170 1.00 12.00 C ATOM 1610 NE2 HIS A 103 2.460 7.209 1.274 1.00 12.00 N ATOM 0 H HIS A 103 -0.997 5.838 0.361 1.00 12.00 H new ATOM 0 HA HIS A 103 -2.612 7.227 2.460 1.00 12.00 H new ATOM 0 HB2 HIS A 103 -1.236 9.182 0.884 1.00 12.00 H new ATOM 0 HB3 HIS A 103 -1.281 8.972 2.623 1.00 12.00 H new ATOM 0 HD1 HIS A 103 1.142 9.474 3.098 1.00 12.00 H new ATOM 0 HD2 HIS A 103 0.693 6.405 0.252 1.00 12.00 H new ATOM 0 HE1 HIS A 103 3.459 8.523 2.624 1.00 12.00 H new ATOM 1618 N PHE A 104 -4.216 7.987 0.615 1.00 12.00 N ATOM 1619 CA PHE A 104 -5.187 8.255 -0.500 1.00 12.00 C ATOM 1620 C PHE A 104 -5.634 9.712 -0.486 1.00 12.00 C ATOM 1621 O PHE A 104 -6.107 10.220 0.519 1.00 12.00 O ATOM 1622 CB PHE A 104 -6.412 7.320 -0.374 1.00 12.00 C ATOM 1623 CG PHE A 104 -6.369 6.254 -1.453 1.00 12.00 C ATOM 1624 CD1 PHE A 104 -5.145 5.688 -1.840 1.00 12.00 C ATOM 1625 CD2 PHE A 104 -7.553 5.832 -2.066 1.00 12.00 C ATOM 1626 CE1 PHE A 104 -5.101 4.711 -2.826 1.00 12.00 C ATOM 1627 CE2 PHE A 104 -7.513 4.848 -3.060 1.00 12.00 C ATOM 1628 CZ PHE A 104 -6.288 4.287 -3.438 1.00 12.00 C ATOM 0 H PHE A 104 -4.575 8.159 1.554 1.00 12.00 H new ATOM 0 HA PHE A 104 -4.687 8.058 -1.448 1.00 12.00 H new ATOM 0 HB2 PHE A 104 -6.422 6.852 0.610 1.00 12.00 H new ATOM 0 HB3 PHE A 104 -7.331 7.899 -0.461 1.00 12.00 H new ATOM 0 HD1 PHE A 104 -4.230 6.014 -1.368 1.00 12.00 H new ATOM 0 HD2 PHE A 104 -8.498 6.265 -1.772 1.00 12.00 H new ATOM 0 HE1 PHE A 104 -4.155 4.280 -3.120 1.00 12.00 H new ATOM 0 HE2 PHE A 104 -8.426 4.522 -3.535 1.00 12.00 H new ATOM 0 HZ PHE A 104 -6.257 3.525 -4.203 1.00 12.00 H new ATOM 1638 N ALA A 105 -5.489 10.376 -1.613 1.00 12.00 N ATOM 1639 CA ALA A 105 -5.904 11.808 -1.724 1.00 12.00 C ATOM 1640 C ALA A 105 -7.334 11.869 -2.269 1.00 12.00 C ATOM 1641 O ALA A 105 -8.097 12.753 -1.907 1.00 12.00 O ATOM 1642 CB ALA A 105 -4.947 12.558 -2.660 1.00 12.00 C ATOM 0 H ALA A 105 -5.096 9.979 -2.467 1.00 12.00 H new ATOM 0 HA ALA A 105 -5.868 12.281 -0.742 1.00 12.00 H new ATOM 0 HB1 ALA A 105 -5.255 13.601 -2.736 1.00 12.00 H new ATOM 0 HB2 ALA A 105 -3.934 12.507 -2.261 1.00 12.00 H new ATOM 0 HB3 ALA A 105 -4.971 12.099 -3.649 1.00 12.00 H new ATOM 1648 N GLY A 106 -7.702 10.932 -3.124 1.00 12.00 N ATOM 1649 CA GLY A 106 -9.090 10.919 -3.691 1.00 12.00 C ATOM 1650 C GLY A 106 -9.048 10.540 -5.170 1.00 12.00 C ATOM 1651 O GLY A 106 -8.184 9.794 -5.600 1.00 12.00 O ATOM 0 H GLY A 106 -7.097 10.178 -3.450 1.00 12.00 H new ATOM 0 HA2 GLY A 106 -9.709 10.209 -3.143 1.00 12.00 H new ATOM 0 HA3 GLY A 106 -9.549 11.900 -3.572 1.00 12.00 H new ATOM 1655 N ILE A 107 -9.983 11.055 -5.944 1.00 12.00 N ATOM 1656 CA ILE A 107 -10.037 10.749 -7.412 1.00 12.00 C ATOM 1657 C ILE A 107 -8.702 11.119 -8.072 1.00 12.00 C ATOM 1658 O ILE A 107 -7.742 11.449 -7.394 1.00 12.00 O ATOM 1659 CB ILE A 107 -11.173 11.550 -8.054 1.00 12.00 C ATOM 1660 CG1 ILE A 107 -11.004 13.035 -7.722 1.00 12.00 C ATOM 1661 CG2 ILE A 107 -12.512 11.057 -7.505 1.00 12.00 C ATOM 1662 CD1 ILE A 107 -11.975 13.863 -8.569 1.00 12.00 C ATOM 0 H ILE A 107 -10.718 11.681 -5.614 1.00 12.00 H new ATOM 0 HA ILE A 107 -10.218 9.683 -7.554 1.00 12.00 H new ATOM 0 HB ILE A 107 -11.147 11.415 -9.135 1.00 12.00 H new ATOM 0 HG12 ILE A 107 -11.193 13.205 -6.662 1.00 12.00 H new ATOM 0 HG13 ILE A 107 -9.978 13.347 -7.917 1.00 12.00 H new ATOM 0 HG21 ILE A 107 -13.323 11.625 -7.960 1.00 12.00 H new ATOM 0 HG22 ILE A 107 -12.634 9.999 -7.739 1.00 12.00 H new ATOM 0 HG23 ILE A 107 -12.535 11.194 -6.424 1.00 12.00 H new ATOM 0 HD11 ILE A 107 -11.854 14.920 -8.332 1.00 12.00 H new ATOM 0 HD12 ILE A 107 -11.764 13.702 -9.626 1.00 12.00 H new ATOM 0 HD13 ILE A 107 -12.999 13.557 -8.352 1.00 12.00 H new ATOM 1674 N GLY A 108 -8.640 11.052 -9.387 1.00 12.00 N ATOM 1675 CA GLY A 108 -7.374 11.381 -10.119 1.00 12.00 C ATOM 1676 C GLY A 108 -7.314 12.880 -10.426 1.00 12.00 C ATOM 1677 O GLY A 108 -7.202 13.277 -11.575 1.00 12.00 O ATOM 0 H GLY A 108 -9.420 10.781 -9.986 1.00 12.00 H new ATOM 0 HA2 GLY A 108 -6.512 11.091 -9.518 1.00 12.00 H new ATOM 0 HA3 GLY A 108 -7.323 10.810 -11.046 1.00 12.00 H new