USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 92 ASN : amide:sc= -4.68 K(o=-5.8,f=-17!) USER MOD Set 1.2: A 94 SER OG : rot 150:sc= -1.09 USER MOD Set 2.1: A 39 TYR OH : rot 81:sc= 0.917 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 SER OG : rot 122:sc= -1.29! USER MOD Set 3.2: A 23 CYS SG : rot 60:sc= -0.943 USER MOD Set 4.1: A 9 ASN :FLIP amide:sc= -1.91 F(o=-5.7,f=-2.5) USER MOD Set 4.2: A 10 ASN : amide:sc= -0.551 K(o=-2.5,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= -2.61! (180deg=-5.49!) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.311 F(o=-1.2,f=-0.31) USER MOD Single : A 5 HIS : no HE2:sc= -5.19! C(o=-5.2!,f=-5.8!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -6.69! C(o=-6.7!,f=-8.1!) USER MOD Single : A 20 HIS : no HD1:sc= -5 K(o=-5,f=-9!) USER MOD Single : A 25 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 144:sc= 0.555 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -4.62 K(o=-4.6,f=-6.3!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.328 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.02 X(o=-2,f=-1.9) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.013) USER MOD Single : A 80 ASN : amide:sc= -0.872 X(o=-0.87,f=-1) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.891 X(o=-0.89,f=-0.45) USER MOD Single : A 99 ASN : amide:sc= -1.26 K(o=-1.3,f=-4!) USER MOD Single : A 101 CYS SG : rot -53:sc= -0.14 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.781 -12.132 -3.399 1.00 0.00 N ATOM 2 CA MET A 1 -5.085 -11.103 -4.220 1.00 0.00 C ATOM 3 C MET A 1 -5.663 -9.715 -3.972 1.00 0.00 C ATOM 4 O MET A 1 -6.857 -9.569 -3.708 1.00 0.00 O ATOM 5 CB MET A 1 -5.233 -11.475 -5.698 1.00 0.00 C ATOM 6 CG MET A 1 -3.942 -11.345 -6.490 1.00 0.00 C ATOM 7 SD MET A 1 -4.081 -12.014 -8.159 1.00 0.00 S ATOM 8 CE MET A 1 -2.789 -13.254 -8.135 1.00 0.00 C ATOM 0 H1 MET A 1 -5.083 -12.656 -2.834 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.462 -11.668 -2.765 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.285 -12.792 -4.025 1.00 0.00 H new ATOM 0 HA MET A 1 -4.032 -11.077 -3.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.593 -12.501 -5.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.993 -10.838 -6.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.659 -10.294 -6.546 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.142 -11.862 -5.961 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.750 -13.757 -9.101 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.830 -12.776 -7.935 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.000 -13.984 -7.354 1.00 0.00 H new ATOM 20 N GLY A 2 -4.814 -8.695 -4.065 1.00 0.00 N ATOM 21 CA GLY A 2 -5.274 -7.336 -3.853 1.00 0.00 C ATOM 22 C GLY A 2 -5.807 -6.706 -5.119 1.00 0.00 C ATOM 23 O GLY A 2 -5.364 -5.635 -5.535 1.00 0.00 O ATOM 0 H GLY A 2 -3.821 -8.785 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.055 -7.334 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.452 -6.733 -3.468 1.00 0.00 H new ATOM 27 N ASN A 3 -6.780 -7.376 -5.712 1.00 0.00 N ATOM 28 CA ASN A 3 -7.428 -6.907 -6.929 1.00 0.00 C ATOM 29 C ASN A 3 -8.076 -5.542 -6.713 1.00 0.00 C ATOM 30 O ASN A 3 -8.458 -4.873 -7.671 1.00 0.00 O ATOM 31 CB ASN A 3 -8.471 -7.918 -7.426 1.00 0.00 C ATOM 32 CG ASN A 3 -9.177 -8.649 -6.299 1.00 0.00 C ATOM 33 OD1 ASN A 3 -9.771 -7.894 -5.386 1.00 0.00 O flip ATOM 34 ND2 ASN A 3 -9.188 -9.879 -6.253 1.00 0.00 N flip ATOM 0 H ASN A 3 -7.145 -8.263 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.657 -6.806 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.212 -7.398 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.982 -8.646 -8.073 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.717 -10.421 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.668 -10.357 -5.490 1.00 0.00 H new ATOM 41 N PHE A 4 -8.232 -5.142 -5.449 1.00 0.00 N ATOM 42 CA PHE A 4 -8.872 -3.871 -5.124 1.00 0.00 C ATOM 43 C PHE A 4 -8.345 -2.741 -6.008 1.00 0.00 C ATOM 44 O PHE A 4 -9.082 -1.819 -6.354 1.00 0.00 O ATOM 45 CB PHE A 4 -8.646 -3.524 -3.646 1.00 0.00 C ATOM 46 CG PHE A 4 -7.439 -2.658 -3.396 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.163 -3.136 -3.643 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.585 -1.364 -2.920 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.054 -2.341 -3.421 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.480 -0.564 -2.695 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.213 -1.054 -2.946 1.00 0.00 C ATOM 0 H PHE A 4 -7.924 -5.679 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.941 -3.980 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.531 -3.015 -3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.540 -4.449 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.033 -4.142 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.574 -0.976 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.064 -2.726 -3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.607 0.442 -2.324 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.348 -0.431 -2.771 1.00 0.00 H new ATOM 61 N HIS A 5 -7.074 -2.822 -6.376 1.00 0.00 N ATOM 62 CA HIS A 5 -6.465 -1.808 -7.223 1.00 0.00 C ATOM 63 C HIS A 5 -7.148 -1.766 -8.587 1.00 0.00 C ATOM 64 O HIS A 5 -7.328 -0.697 -9.171 1.00 0.00 O ATOM 65 CB HIS A 5 -4.965 -2.083 -7.380 1.00 0.00 C ATOM 66 CG HIS A 5 -4.623 -2.979 -8.534 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.358 -2.504 -9.801 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.508 -4.327 -8.608 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.096 -3.518 -10.604 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.179 -4.635 -9.905 1.00 0.00 N ATOM 0 H HIS A 5 -6.446 -3.578 -6.102 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.594 -0.835 -6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.444 -1.134 -7.504 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.591 -2.534 -6.461 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.364 -1.522 -10.075 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.649 -5.028 -7.798 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.855 -3.446 -11.654 1.00 0.00 H new ATOM 79 N GLU A 6 -7.522 -2.938 -9.089 1.00 0.00 N ATOM 80 CA GLU A 6 -8.182 -3.039 -10.384 1.00 0.00 C ATOM 81 C GLU A 6 -9.664 -2.688 -10.276 1.00 0.00 C ATOM 82 O GLU A 6 -10.296 -2.314 -11.265 1.00 0.00 O ATOM 83 CB GLU A 6 -8.009 -4.449 -10.955 1.00 0.00 C ATOM 84 CG GLU A 6 -8.813 -5.518 -10.227 1.00 0.00 C ATOM 85 CD GLU A 6 -9.473 -6.499 -11.177 1.00 0.00 C ATOM 86 OE1 GLU A 6 -8.922 -6.724 -12.275 1.00 0.00 O ATOM 87 OE2 GLU A 6 -10.541 -7.041 -10.822 1.00 0.00 O ATOM 0 H GLU A 6 -7.379 -3.831 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.716 -2.322 -11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.301 -4.442 -12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.953 -4.717 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.156 -6.062 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.578 -5.039 -9.616 1.00 0.00 H new ATOM 94 N SER A 7 -10.215 -2.811 -9.071 1.00 0.00 N ATOM 95 CA SER A 7 -11.623 -2.507 -8.842 1.00 0.00 C ATOM 96 C SER A 7 -11.791 -1.228 -8.023 1.00 0.00 C ATOM 97 O SER A 7 -12.875 -0.954 -7.506 1.00 0.00 O ATOM 98 CB SER A 7 -12.306 -3.675 -8.127 1.00 0.00 C ATOM 99 OG SER A 7 -12.023 -4.904 -8.772 1.00 0.00 O ATOM 0 H SER A 7 -9.709 -3.118 -8.241 1.00 0.00 H new ATOM 0 HA SER A 7 -12.093 -2.352 -9.813 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.969 -3.718 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.384 -3.512 -8.105 1.00 0.00 H new ATOM 0 HG SER A 7 -12.469 -5.634 -8.295 1.00 0.00 H new ATOM 105 N SER A 8 -10.720 -0.446 -7.908 1.00 0.00 N ATOM 106 CA SER A 8 -10.768 0.801 -7.152 1.00 0.00 C ATOM 107 C SER A 8 -10.231 1.963 -7.980 1.00 0.00 C ATOM 108 O SER A 8 -9.492 1.762 -8.944 1.00 0.00 O ATOM 109 CB SER A 8 -9.964 0.673 -5.857 1.00 0.00 C ATOM 110 OG SER A 8 -10.166 1.798 -5.018 1.00 0.00 O ATOM 0 H SER A 8 -9.813 -0.653 -8.327 1.00 0.00 H new ATOM 0 HA SER A 8 -11.811 1.003 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.259 -0.235 -5.331 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.904 0.576 -6.091 1.00 0.00 H new ATOM 0 HG SER A 8 -10.516 1.502 -4.152 1.00 0.00 H new ATOM 116 N ASN A 9 -10.605 3.178 -7.595 1.00 0.00 N ATOM 117 CA ASN A 9 -10.161 4.374 -8.296 1.00 0.00 C ATOM 118 C ASN A 9 -9.443 5.320 -7.339 1.00 0.00 C ATOM 119 O ASN A 9 -9.612 5.239 -6.123 1.00 0.00 O ATOM 120 CB ASN A 9 -11.352 5.082 -8.947 1.00 0.00 C ATOM 121 CG ASN A 9 -10.989 6.441 -9.512 1.00 0.00 C ATOM 122 OD1 ASN A 9 -10.931 7.443 -8.643 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.765 6.589 -10.713 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.216 3.359 -6.799 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.462 4.076 -9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.749 4.456 -9.746 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.146 5.200 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.821 5.790 -11.345 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.523 7.511 -11.077 1.00 0.00 H new ATOM 130 N ASN A 10 -8.644 6.217 -7.902 1.00 0.00 N ATOM 131 CA ASN A 10 -7.897 7.184 -7.105 1.00 0.00 C ATOM 132 C ASN A 10 -6.969 6.481 -6.117 1.00 0.00 C ATOM 133 O ASN A 10 -7.080 6.666 -4.905 1.00 0.00 O ATOM 134 CB ASN A 10 -8.860 8.106 -6.353 1.00 0.00 C ATOM 135 CG ASN A 10 -9.270 9.310 -7.179 1.00 0.00 C ATOM 136 OD1 ASN A 10 -8.904 9.430 -8.348 1.00 0.00 O ATOM 137 ND2 ASN A 10 -10.035 10.210 -6.572 1.00 0.00 N ATOM 0 H ASN A 10 -8.496 6.296 -8.908 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.286 7.780 -7.783 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.749 7.544 -6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.389 8.445 -5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.343 11.041 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.315 10.070 -5.601 1.00 0.00 H new ATOM 144 N ILE A 11 -6.050 5.678 -6.644 1.00 0.00 N ATOM 145 CA ILE A 11 -5.098 4.953 -5.805 1.00 0.00 C ATOM 146 C ILE A 11 -3.793 5.732 -5.682 1.00 0.00 C ATOM 147 O ILE A 11 -3.101 5.961 -6.674 1.00 0.00 O ATOM 148 CB ILE A 11 -4.790 3.543 -6.360 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.949 3.027 -7.218 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.507 2.575 -5.220 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.264 2.955 -6.474 1.00 0.00 C ATOM 0 H ILE A 11 -5.943 5.512 -7.645 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.562 4.844 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.904 3.613 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.066 3.677 -8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.699 2.035 -7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.292 1.587 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.648 2.927 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.378 2.517 -4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.040 2.582 -7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.164 2.282 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.537 3.949 -6.121 1.00 0.00 H new ATOM 163 N TRP A 12 -3.465 6.142 -4.462 1.00 0.00 N ATOM 164 CA TRP A 12 -2.244 6.902 -4.216 1.00 0.00 C ATOM 165 C TRP A 12 -1.852 6.848 -2.743 1.00 0.00 C ATOM 166 O TRP A 12 -2.461 6.126 -1.954 1.00 0.00 O ATOM 167 CB TRP A 12 -2.432 8.356 -4.652 1.00 0.00 C ATOM 168 CG TRP A 12 -3.525 9.062 -3.909 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.863 8.797 -3.972 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.374 10.149 -2.989 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.553 9.653 -3.148 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.661 10.493 -2.534 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.275 10.866 -2.506 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.878 11.521 -1.620 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.492 11.886 -1.598 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.784 12.205 -1.163 1.00 0.00 C ATOM 0 H TRP A 12 -4.026 5.962 -3.629 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.442 6.452 -4.801 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.496 8.895 -4.506 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.652 8.382 -5.719 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.313 8.027 -4.581 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.564 9.662 -3.015 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.275 10.627 -2.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.874 11.770 -1.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.651 12.446 -1.218 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.920 13.007 -0.453 1.00 0.00 H new ATOM 187 N LEU A 13 -0.831 7.618 -2.379 1.00 0.00 N ATOM 188 CA LEU A 13 -0.356 7.658 -1.001 1.00 0.00 C ATOM 189 C LEU A 13 -0.176 9.097 -0.528 1.00 0.00 C ATOM 190 O LEU A 13 0.222 9.970 -1.299 1.00 0.00 O ATOM 191 CB LEU A 13 0.965 6.898 -0.873 1.00 0.00 C ATOM 192 CG LEU A 13 1.136 6.114 0.428 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.027 5.152 0.631 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.460 5.363 0.426 1.00 0.00 C ATOM 0 H LEU A 13 -0.317 8.223 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.106 7.179 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.051 6.206 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.786 7.609 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 13 1.143 6.821 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.113 4.603 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.960 5.714 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.068 4.450 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.566 4.810 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.482 4.667 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.281 6.073 0.330 1.00 0.00 H new ATOM 206 N GLU A 14 -0.470 9.336 0.746 1.00 0.00 N ATOM 207 CA GLU A 14 -0.341 10.668 1.326 1.00 0.00 C ATOM 208 C GLU A 14 0.674 10.664 2.465 1.00 0.00 C ATOM 209 O GLU A 14 0.526 9.927 3.440 1.00 0.00 O ATOM 210 CB GLU A 14 -1.699 11.161 1.832 1.00 0.00 C ATOM 211 CG GLU A 14 -1.627 12.473 2.597 1.00 0.00 C ATOM 212 CD GLU A 14 -2.976 12.910 3.135 1.00 0.00 C ATOM 213 OE1 GLU A 14 -4.005 12.413 2.631 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.003 13.749 4.060 1.00 0.00 O ATOM 0 H GLU A 14 -0.800 8.623 1.397 1.00 0.00 H new ATOM 0 HA GLU A 14 0.013 11.346 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.371 11.283 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.135 10.398 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.926 12.368 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.232 13.250 1.942 1.00 0.00 H new ATOM 221 N ASP A 15 1.705 11.492 2.333 1.00 0.00 N ATOM 222 CA ASP A 15 2.747 11.585 3.350 1.00 0.00 C ATOM 223 C ASP A 15 3.468 10.248 3.524 1.00 0.00 C ATOM 224 O ASP A 15 4.145 10.025 4.528 1.00 0.00 O ATOM 225 CB ASP A 15 2.145 12.036 4.683 1.00 0.00 C ATOM 226 CG ASP A 15 2.511 13.466 5.028 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.334 14.349 4.163 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.975 13.702 6.163 1.00 0.00 O ATOM 0 H ASP A 15 1.842 12.108 1.532 1.00 0.00 H new ATOM 0 HA ASP A 15 3.477 12.324 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.060 11.942 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.490 11.374 5.477 1.00 0.00 H new ATOM 233 N GLY A 16 3.324 9.366 2.539 1.00 0.00 N ATOM 234 CA GLY A 16 3.972 8.069 2.601 1.00 0.00 C ATOM 235 C GLY A 16 3.550 7.249 3.806 1.00 0.00 C ATOM 236 O GLY A 16 4.397 6.767 4.559 1.00 0.00 O ATOM 0 H GLY A 16 2.769 9.527 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.744 7.512 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.053 8.210 2.626 1.00 0.00 H new ATOM 240 N HIS A 17 2.243 7.075 3.984 1.00 0.00 N ATOM 241 CA HIS A 17 1.729 6.290 5.104 1.00 0.00 C ATOM 242 C HIS A 17 0.207 6.131 5.040 1.00 0.00 C ATOM 243 O HIS A 17 -0.338 5.148 5.542 1.00 0.00 O ATOM 244 CB HIS A 17 2.155 6.910 6.441 1.00 0.00 C ATOM 245 CG HIS A 17 1.397 8.144 6.829 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.393 9.298 6.076 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.631 8.404 7.916 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.660 10.216 6.683 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.186 9.697 7.801 1.00 0.00 N ATOM 0 H HIS A 17 1.525 7.463 3.373 1.00 0.00 H new ATOM 0 HA HIS A 17 2.163 5.293 5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.035 6.164 7.227 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.217 7.153 6.392 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.411 7.721 8.723 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.480 11.219 6.325 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.414 10.179 8.471 1.00 0.00 H new ATOM 258 N ILE A 18 -0.477 7.091 4.420 1.00 0.00 N ATOM 259 CA ILE A 18 -1.931 7.031 4.300 1.00 0.00 C ATOM 260 C ILE A 18 -2.350 6.636 2.885 1.00 0.00 C ATOM 261 O ILE A 18 -1.840 7.173 1.902 1.00 0.00 O ATOM 262 CB ILE A 18 -2.584 8.380 4.666 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.234 8.759 6.105 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.095 8.318 4.480 1.00 0.00 C ATOM 265 CD1 ILE A 18 -2.909 7.891 7.146 1.00 0.00 C ATOM 0 H ILE A 18 -0.050 7.915 3.996 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.276 6.271 5.002 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.194 9.147 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.154 8.694 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.513 9.799 6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.534 9.280 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.324 8.088 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.509 7.542 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.612 8.220 8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.991 7.975 7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.610 6.853 7.003 1.00 0.00 H new ATOM 277 N LEU A 19 -3.284 5.694 2.795 1.00 0.00 N ATOM 278 CA LEU A 19 -3.777 5.223 1.505 1.00 0.00 C ATOM 279 C LEU A 19 -5.229 5.634 1.291 1.00 0.00 C ATOM 280 O LEU A 19 -6.032 5.624 2.223 1.00 0.00 O ATOM 281 CB LEU A 19 -3.654 3.701 1.417 1.00 0.00 C ATOM 282 CG LEU A 19 -4.177 3.084 0.118 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.370 1.847 -0.251 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.654 2.742 0.249 1.00 0.00 C ATOM 0 H LEU A 19 -3.715 5.241 3.601 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.169 5.681 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.605 3.429 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.194 3.259 2.255 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.063 3.816 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.757 1.423 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.324 2.122 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.450 1.109 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.010 2.304 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.791 2.028 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.220 3.649 0.464 1.00 0.00 H new ATOM 296 N HIS A 20 -5.560 5.987 0.054 1.00 0.00 N ATOM 297 CA HIS A 20 -6.918 6.394 -0.292 1.00 0.00 C ATOM 298 C HIS A 20 -7.333 5.771 -1.619 1.00 0.00 C ATOM 299 O HIS A 20 -6.559 5.756 -2.576 1.00 0.00 O ATOM 300 CB HIS A 20 -7.034 7.922 -0.374 1.00 0.00 C ATOM 301 CG HIS A 20 -5.885 8.656 0.244 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.595 8.570 -0.234 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.836 9.493 1.308 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.802 9.321 0.508 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.529 9.892 1.450 1.00 0.00 N ATOM 0 H HIS A 20 -4.905 6.000 -0.728 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.585 6.042 0.495 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.117 8.214 -1.421 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.956 8.233 0.117 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.668 9.791 1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.739 9.447 0.368 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.178 10.527 2.167 1.00 0.00 H new ATOM 314 N ALA A 21 -8.554 5.252 -1.671 1.00 0.00 N ATOM 315 CA ALA A 21 -9.058 4.623 -2.884 1.00 0.00 C ATOM 316 C ALA A 21 -10.568 4.421 -2.819 1.00 0.00 C ATOM 317 O ALA A 21 -11.141 4.285 -1.738 1.00 0.00 O ATOM 318 CB ALA A 21 -8.353 3.295 -3.114 1.00 0.00 C ATOM 0 H ALA A 21 -9.210 5.254 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.849 5.287 -3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.737 2.832 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.281 3.465 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.535 2.635 -2.266 1.00 0.00 H new ATOM 324 N GLU A 22 -11.205 4.401 -3.985 1.00 0.00 N ATOM 325 CA GLU A 22 -12.649 4.213 -4.067 1.00 0.00 C ATOM 326 C GLU A 22 -12.982 2.805 -4.548 1.00 0.00 C ATOM 327 O GLU A 22 -12.939 2.522 -5.745 1.00 0.00 O ATOM 328 CB GLU A 22 -13.272 5.245 -5.013 1.00 0.00 C ATOM 329 CG GLU A 22 -12.532 6.573 -5.048 1.00 0.00 C ATOM 330 CD GLU A 22 -13.316 7.659 -5.759 1.00 0.00 C ATOM 331 OE1 GLU A 22 -14.548 7.510 -5.895 1.00 0.00 O ATOM 332 OE2 GLU A 22 -12.697 8.659 -6.180 1.00 0.00 O ATOM 0 H GLU A 22 -10.743 4.513 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.065 4.351 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.301 4.829 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.304 5.423 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.319 6.893 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.572 6.437 -5.547 1.00 0.00 H new ATOM 339 N CYS A 23 -13.309 1.925 -3.609 1.00 0.00 N ATOM 340 CA CYS A 23 -13.644 0.546 -3.941 1.00 0.00 C ATOM 341 C CYS A 23 -15.151 0.320 -3.892 1.00 0.00 C ATOM 342 O CYS A 23 -15.824 0.751 -2.955 1.00 0.00 O ATOM 343 CB CYS A 23 -12.941 -0.417 -2.981 1.00 0.00 C ATOM 344 SG CYS A 23 -11.205 -0.015 -2.671 1.00 0.00 S ATOM 0 H CYS A 23 -13.349 2.142 -2.613 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.301 0.353 -4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.477 -0.422 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.002 -1.427 -3.387 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.121 1.174 -2.152 1.00 0.00 H new ATOM 350 N GLY A 24 -15.674 -0.360 -4.907 1.00 0.00 N ATOM 351 CA GLY A 24 -17.099 -0.634 -4.960 1.00 0.00 C ATOM 352 C GLY A 24 -17.510 -1.743 -4.012 1.00 0.00 C ATOM 353 O GLY A 24 -16.669 -2.330 -3.332 1.00 0.00 O ATOM 0 H GLY A 24 -15.137 -0.726 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.650 0.274 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.376 -0.909 -5.978 1.00 0.00 H new ATOM 357 N ASN A 25 -18.807 -2.032 -3.966 1.00 0.00 N ATOM 358 CA ASN A 25 -19.325 -3.081 -3.091 1.00 0.00 C ATOM 359 C ASN A 25 -19.834 -4.267 -3.907 1.00 0.00 C ATOM 360 O ASN A 25 -19.805 -5.407 -3.445 1.00 0.00 O ATOM 361 CB ASN A 25 -20.447 -2.545 -2.188 1.00 0.00 C ATOM 362 CG ASN A 25 -20.925 -1.162 -2.590 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.725 -0.188 -1.865 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.562 -1.072 -3.751 1.00 0.00 N ATOM 0 H ASN A 25 -19.518 -1.557 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.503 -3.417 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.289 -3.236 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.093 -2.515 -1.158 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.908 -0.169 -4.074 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.706 -1.906 -4.320 1.00 0.00 H new ATOM 371 N GLY A 26 -20.300 -3.990 -5.120 1.00 0.00 N ATOM 372 CA GLY A 26 -20.807 -5.046 -5.978 1.00 0.00 C ATOM 373 C GLY A 26 -22.068 -4.638 -6.714 1.00 0.00 C ATOM 374 O GLY A 26 -22.343 -5.132 -7.807 1.00 0.00 O ATOM 0 H GLY A 26 -20.336 -3.054 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -20.040 -5.322 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -21.011 -5.932 -5.377 1.00 0.00 H new ATOM 378 N GLU A 27 -22.834 -3.734 -6.114 1.00 0.00 N ATOM 379 CA GLU A 27 -24.073 -3.259 -6.719 1.00 0.00 C ATOM 380 C GLU A 27 -23.784 -2.402 -7.947 1.00 0.00 C ATOM 381 O GLU A 27 -24.577 -2.360 -8.888 1.00 0.00 O ATOM 382 CB GLU A 27 -24.887 -2.457 -5.702 1.00 0.00 C ATOM 383 CG GLU A 27 -25.139 -3.202 -4.401 1.00 0.00 C ATOM 384 CD GLU A 27 -26.609 -3.254 -4.033 1.00 0.00 C ATOM 385 OE1 GLU A 27 -27.295 -4.206 -4.460 1.00 0.00 O ATOM 386 OE2 GLU A 27 -27.074 -2.343 -3.316 1.00 0.00 O ATOM 0 H GLU A 27 -22.619 -3.315 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 27 -24.652 -4.128 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -24.363 -1.527 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -25.844 -2.187 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -24.754 -4.218 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -24.584 -2.719 -3.597 1.00 0.00 H new ATOM 393 N GLY A 28 -22.643 -1.719 -7.931 1.00 0.00 N ATOM 394 CA GLY A 28 -22.271 -0.872 -9.050 1.00 0.00 C ATOM 395 C GLY A 28 -21.771 0.494 -8.613 1.00 0.00 C ATOM 396 O GLY A 28 -21.261 1.262 -9.428 1.00 0.00 O ATOM 0 H GLY A 28 -21.970 -1.737 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.495 -1.368 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.132 -0.746 -9.706 1.00 0.00 H new ATOM 400 N ASP A 29 -21.918 0.800 -7.326 1.00 0.00 N ATOM 401 CA ASP A 29 -21.477 2.083 -6.792 1.00 0.00 C ATOM 402 C ASP A 29 -20.092 1.968 -6.165 1.00 0.00 C ATOM 403 O ASP A 29 -19.637 0.872 -5.837 1.00 0.00 O ATOM 404 CB ASP A 29 -22.477 2.598 -5.755 1.00 0.00 C ATOM 405 CG ASP A 29 -23.545 3.481 -6.370 1.00 0.00 C ATOM 406 OD1 ASP A 29 -23.183 4.467 -7.047 1.00 0.00 O ATOM 407 OD2 ASP A 29 -24.743 3.188 -6.175 1.00 0.00 O ATOM 0 H ASP A 29 -22.338 0.177 -6.636 1.00 0.00 H new ATOM 0 HA ASP A 29 -21.422 2.791 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -22.951 1.751 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -21.944 3.159 -4.987 1.00 0.00 H new ATOM 412 N TYR A 30 -19.427 3.107 -6.001 1.00 0.00 N ATOM 413 CA TYR A 30 -18.093 3.136 -5.412 1.00 0.00 C ATOM 414 C TYR A 30 -18.146 3.639 -3.973 1.00 0.00 C ATOM 415 O TYR A 30 -19.093 4.319 -3.578 1.00 0.00 O ATOM 416 CB TYR A 30 -17.165 4.024 -6.245 1.00 0.00 C ATOM 417 CG TYR A 30 -16.389 3.273 -7.307 1.00 0.00 C ATOM 418 CD1 TYR A 30 -16.890 2.104 -7.870 1.00 0.00 C ATOM 419 CD2 TYR A 30 -15.155 3.734 -7.746 1.00 0.00 C ATOM 420 CE1 TYR A 30 -16.182 1.417 -8.838 1.00 0.00 C ATOM 421 CE2 TYR A 30 -14.441 3.053 -8.714 1.00 0.00 C ATOM 422 CZ TYR A 30 -14.959 1.896 -9.256 1.00 0.00 C ATOM 423 OH TYR A 30 -14.252 1.215 -10.221 1.00 0.00 O ATOM 0 H TYR A 30 -19.790 4.022 -6.268 1.00 0.00 H new ATOM 0 HA TYR A 30 -17.701 2.119 -5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.757 4.803 -6.724 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.461 4.523 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -17.848 1.727 -7.545 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.746 4.640 -7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -16.585 0.510 -9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.482 3.425 -9.044 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.412 1.685 -10.404 1.00 0.00 H new ATOM 433 N VAL A 31 -17.127 3.297 -3.192 1.00 0.00 N ATOM 434 CA VAL A 31 -17.063 3.712 -1.796 1.00 0.00 C ATOM 435 C VAL A 31 -15.653 4.143 -1.408 1.00 0.00 C ATOM 436 O VAL A 31 -14.721 3.338 -1.419 1.00 0.00 O ATOM 437 CB VAL A 31 -17.515 2.581 -0.854 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.651 3.094 0.572 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.824 1.973 -1.337 1.00 0.00 C ATOM 0 H VAL A 31 -16.335 2.734 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.739 4.560 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.754 1.801 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.971 2.280 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.689 3.475 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.390 3.895 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.127 1.176 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.596 2.742 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.688 1.565 -2.339 1.00 0.00 H new ATOM 449 N GLU A 32 -15.503 5.418 -1.063 1.00 0.00 N ATOM 450 CA GLU A 32 -14.212 5.959 -0.669 1.00 0.00 C ATOM 451 C GLU A 32 -13.724 5.319 0.626 1.00 0.00 C ATOM 452 O GLU A 32 -14.441 5.291 1.626 1.00 0.00 O ATOM 453 CB GLU A 32 -14.310 7.473 -0.496 1.00 0.00 C ATOM 454 CG GLU A 32 -12.997 8.192 -0.732 1.00 0.00 C ATOM 455 CD GLU A 32 -13.108 9.692 -0.545 1.00 0.00 C ATOM 456 OE1 GLU A 32 -14.154 10.262 -0.921 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.150 10.298 -0.022 1.00 0.00 O ATOM 0 H GLU A 32 -16.265 6.096 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.493 5.732 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.058 7.862 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.661 7.694 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.245 7.800 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.649 7.981 -1.743 1.00 0.00 H new ATOM 464 N SER A 33 -12.497 4.810 0.601 1.00 0.00 N ATOM 465 CA SER A 33 -11.909 4.174 1.774 1.00 0.00 C ATOM 466 C SER A 33 -10.423 4.498 1.874 1.00 0.00 C ATOM 467 O SER A 33 -9.796 4.889 0.890 1.00 0.00 O ATOM 468 CB SER A 33 -12.112 2.659 1.717 1.00 0.00 C ATOM 469 OG SER A 33 -13.360 2.333 1.133 1.00 0.00 O ATOM 0 H SER A 33 -11.890 4.826 -0.219 1.00 0.00 H new ATOM 0 HA SER A 33 -12.410 4.564 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.307 2.203 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.058 2.244 2.723 1.00 0.00 H new ATOM 0 HG SER A 33 -13.269 1.515 0.601 1.00 0.00 H new ATOM 475 N THR A 34 -9.866 4.338 3.069 1.00 0.00 N ATOM 476 CA THR A 34 -8.454 4.619 3.294 1.00 0.00 C ATOM 477 C THR A 34 -7.842 3.612 4.262 1.00 0.00 C ATOM 478 O THR A 34 -8.508 3.131 5.179 1.00 0.00 O ATOM 479 CB THR A 34 -8.279 6.039 3.835 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.944 6.187 5.077 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.811 7.104 2.900 1.00 0.00 C ATOM 0 H THR A 34 -10.370 4.016 3.895 1.00 0.00 H new ATOM 0 HA THR A 34 -7.935 4.533 2.339 1.00 0.00 H new ATOM 0 HB THR A 34 -7.203 6.177 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.819 7.101 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.656 8.088 3.343 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.284 7.048 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.877 6.944 2.735 1.00 0.00 H new ATOM 489 N LEU A 35 -6.567 3.300 4.051 1.00 0.00 N ATOM 490 CA LEU A 35 -5.859 2.352 4.903 1.00 0.00 C ATOM 491 C LEU A 35 -4.529 2.932 5.370 1.00 0.00 C ATOM 492 O LEU A 35 -3.832 3.603 4.609 1.00 0.00 O ATOM 493 CB LEU A 35 -5.621 1.041 4.152 1.00 0.00 C ATOM 494 CG LEU A 35 -5.321 -0.169 5.042 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.512 -1.114 5.080 1.00 0.00 C ATOM 496 CD2 LEU A 35 -4.077 -0.898 4.553 1.00 0.00 C ATOM 0 H LEU A 35 -6.003 3.691 3.296 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.477 2.154 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.502 0.820 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.789 1.181 3.462 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.134 0.189 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.279 -1.967 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.380 -0.589 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.731 -1.464 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.880 -1.754 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.235 -1.242 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.224 -0.220 4.580 1.00 0.00 H new ATOM 508 N ASP A 36 -4.182 2.668 6.625 1.00 0.00 N ATOM 509 CA ASP A 36 -2.934 3.162 7.192 1.00 0.00 C ATOM 510 C ASP A 36 -1.853 2.091 7.137 1.00 0.00 C ATOM 511 O ASP A 36 -2.028 0.989 7.646 1.00 0.00 O ATOM 512 CB ASP A 36 -3.150 3.615 8.638 1.00 0.00 C ATOM 513 CG ASP A 36 -1.901 4.225 9.244 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.043 4.708 8.475 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.782 4.222 10.487 1.00 0.00 O ATOM 0 H ASP A 36 -4.748 2.115 7.268 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.605 4.015 6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.960 4.344 8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.464 2.762 9.240 1.00 0.00 H new ATOM 520 N LEU A 37 -0.739 2.424 6.508 1.00 0.00 N ATOM 521 CA LEU A 37 0.379 1.498 6.388 1.00 0.00 C ATOM 522 C LEU A 37 1.311 1.625 7.579 1.00 0.00 C ATOM 523 O LEU A 37 1.979 0.667 7.967 1.00 0.00 O ATOM 524 CB LEU A 37 1.143 1.754 5.105 1.00 0.00 C ATOM 525 CG LEU A 37 0.277 2.199 3.938 1.00 0.00 C ATOM 526 CD1 LEU A 37 0.973 3.301 3.174 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.050 1.014 3.049 1.00 0.00 C ATOM 0 H LEU A 37 -0.582 3.332 6.070 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.021 0.484 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.899 2.517 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.672 0.843 4.823 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.666 2.598 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.347 3.616 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.147 4.149 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.927 2.934 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.671 1.344 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.874 0.582 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.588 0.263 3.627 1.00 0.00 H new ATOM 539 N ASP A 38 1.347 2.821 8.161 1.00 0.00 N ATOM 540 CA ASP A 38 2.193 3.080 9.318 1.00 0.00 C ATOM 541 C ASP A 38 1.864 2.116 10.451 1.00 0.00 C ATOM 542 O ASP A 38 2.613 2.005 11.421 1.00 0.00 O ATOM 543 CB ASP A 38 2.020 4.524 9.791 1.00 0.00 C ATOM 544 CG ASP A 38 2.973 4.883 10.915 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.197 4.912 10.668 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.496 5.135 12.041 1.00 0.00 O ATOM 0 H ASP A 38 0.800 3.624 7.849 1.00 0.00 H new ATOM 0 HA ASP A 38 3.231 2.927 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.182 5.200 8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.994 4.673 10.127 1.00 0.00 H new ATOM 551 N TYR A 39 0.740 1.415 10.320 1.00 0.00 N ATOM 552 CA TYR A 39 0.324 0.456 11.338 1.00 0.00 C ATOM 553 C TYR A 39 0.009 -0.912 10.725 1.00 0.00 C ATOM 554 O TYR A 39 -0.411 -1.832 11.427 1.00 0.00 O ATOM 555 CB TYR A 39 -0.880 1.003 12.117 1.00 0.00 C ATOM 556 CG TYR A 39 -2.227 0.587 11.568 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.502 0.685 10.213 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.221 0.098 12.406 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.732 0.309 9.704 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.453 -0.281 11.907 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.703 -0.173 10.556 1.00 0.00 C ATOM 562 OH TYR A 39 -5.928 -0.549 10.054 1.00 0.00 O ATOM 0 H TYR A 39 0.106 1.493 9.525 1.00 0.00 H new ATOM 0 HA TYR A 39 1.153 0.314 12.032 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.807 0.672 13.153 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.826 2.092 12.126 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.743 1.061 9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.028 0.013 13.465 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.931 0.392 8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.215 -0.660 12.572 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.864 -1.452 9.678 1.00 0.00 H new ATOM 572 N TYR A 40 0.220 -1.042 9.416 1.00 0.00 N ATOM 573 CA TYR A 40 -0.037 -2.299 8.720 1.00 0.00 C ATOM 574 C TYR A 40 1.243 -2.853 8.096 1.00 0.00 C ATOM 575 O TYR A 40 1.379 -4.062 7.911 1.00 0.00 O ATOM 576 CB TYR A 40 -1.104 -2.099 7.639 1.00 0.00 C ATOM 577 CG TYR A 40 -2.479 -2.591 8.039 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.898 -2.552 9.364 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.358 -3.094 7.088 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.153 -3.001 9.729 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.615 -3.544 7.446 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.008 -3.495 8.767 1.00 0.00 C ATOM 583 OH TYR A 40 -6.258 -3.942 9.126 1.00 0.00 O ATOM 0 H TYR A 40 0.568 -0.293 8.818 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.401 -3.021 9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.165 -1.039 7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.792 -2.618 6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.232 -2.164 10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.054 -3.134 6.052 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.463 -2.965 10.763 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.286 -3.932 6.694 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.734 -4.257 8.329 1.00 0.00 H new ATOM 593 N ILE A 41 2.180 -1.963 7.774 1.00 0.00 N ATOM 594 CA ILE A 41 3.447 -2.367 7.174 1.00 0.00 C ATOM 595 C ILE A 41 4.626 -1.921 8.034 1.00 0.00 C ATOM 596 O ILE A 41 4.615 -0.829 8.602 1.00 0.00 O ATOM 597 CB ILE A 41 3.604 -1.789 5.750 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.539 -2.376 4.823 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.998 -2.068 5.202 1.00 0.00 C ATOM 600 CD1 ILE A 41 2.027 -1.393 3.796 1.00 0.00 C ATOM 0 H ILE A 41 2.084 -0.958 7.919 1.00 0.00 H new ATOM 0 HA ILE A 41 3.440 -3.455 7.113 1.00 0.00 H new ATOM 0 HB ILE A 41 3.470 -0.708 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.954 -3.243 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.702 -2.731 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.084 -1.652 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.743 -1.608 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.165 -3.144 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.275 -1.877 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.583 -0.536 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.854 -1.056 3.171 1.00 0.00 H new ATOM 612 N GLY A 42 5.643 -2.773 8.125 1.00 0.00 N ATOM 613 CA GLY A 42 6.815 -2.447 8.917 1.00 0.00 C ATOM 614 C GLY A 42 8.108 -2.628 8.146 1.00 0.00 C ATOM 615 O GLY A 42 8.097 -3.056 6.992 1.00 0.00 O ATOM 0 H GLY A 42 5.676 -3.683 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.742 -1.415 9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.835 -3.077 9.806 1.00 0.00 H new ATOM 619 N ASN A 43 9.225 -2.301 8.788 1.00 0.00 N ATOM 620 CA ASN A 43 10.535 -2.429 8.159 1.00 0.00 C ATOM 621 C ASN A 43 11.184 -3.761 8.523 1.00 0.00 C ATOM 622 O ASN A 43 11.602 -3.969 9.662 1.00 0.00 O ATOM 623 CB ASN A 43 11.441 -1.271 8.586 1.00 0.00 C ATOM 624 CG ASN A 43 12.843 -1.387 8.019 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.516 -2.402 8.194 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.292 -0.342 7.336 1.00 0.00 N ATOM 0 H ASN A 43 9.249 -1.945 9.744 1.00 0.00 H new ATOM 0 HA ASN A 43 10.399 -2.396 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.998 -0.329 8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.495 -1.239 9.674 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.229 -0.361 6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.701 0.480 7.215 1.00 0.00 H new ATOM 633 N ASP A 44 11.270 -4.657 7.546 1.00 0.00 N ATOM 634 CA ASP A 44 11.875 -5.966 7.762 1.00 0.00 C ATOM 635 C ASP A 44 13.185 -6.091 6.992 1.00 0.00 C ATOM 636 O ASP A 44 13.189 -6.384 5.797 1.00 0.00 O ATOM 637 CB ASP A 44 10.909 -7.073 7.334 1.00 0.00 C ATOM 638 CG ASP A 44 11.439 -8.457 7.652 1.00 0.00 C ATOM 639 OD1 ASP A 44 11.743 -8.719 8.834 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.548 -9.280 6.718 1.00 0.00 O ATOM 0 H ASP A 44 10.929 -4.501 6.598 1.00 0.00 H new ATOM 0 HA ASP A 44 12.088 -6.071 8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.952 -6.930 7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.723 -6.995 6.263 1.00 0.00 H new ATOM 645 N ASP A 45 14.298 -5.868 7.686 1.00 0.00 N ATOM 646 CA ASP A 45 15.616 -5.956 7.068 1.00 0.00 C ATOM 647 C ASP A 45 15.719 -5.022 5.864 1.00 0.00 C ATOM 648 O ASP A 45 16.175 -5.421 4.792 1.00 0.00 O ATOM 649 CB ASP A 45 15.905 -7.396 6.639 1.00 0.00 C ATOM 650 CG ASP A 45 17.312 -7.568 6.101 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.261 -7.083 6.753 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.466 -8.188 5.027 1.00 0.00 O ATOM 0 H ASP A 45 14.312 -5.625 8.677 1.00 0.00 H new ATOM 0 HA ASP A 45 16.357 -5.648 7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.761 -8.062 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.188 -7.695 5.875 1.00 0.00 H new ATOM 657 N GLY A 46 15.288 -3.779 6.049 1.00 0.00 N ATOM 658 CA GLY A 46 15.337 -2.809 4.970 1.00 0.00 C ATOM 659 C GLY A 46 14.352 -3.123 3.860 1.00 0.00 C ATOM 660 O GLY A 46 14.470 -2.600 2.752 1.00 0.00 O ATOM 0 H GLY A 46 14.906 -3.426 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.126 -1.817 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.346 -2.779 4.558 1.00 0.00 H new ATOM 664 N SER A 47 13.377 -3.978 4.156 1.00 0.00 N ATOM 665 CA SER A 47 12.368 -4.358 3.175 1.00 0.00 C ATOM 666 C SER A 47 10.964 -4.186 3.745 1.00 0.00 C ATOM 667 O SER A 47 10.786 -4.069 4.958 1.00 0.00 O ATOM 668 CB SER A 47 12.576 -5.807 2.730 1.00 0.00 C ATOM 669 OG SER A 47 11.434 -6.302 2.053 1.00 0.00 O ATOM 0 H SER A 47 13.265 -4.420 5.068 1.00 0.00 H new ATOM 0 HA SER A 47 12.474 -3.702 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.445 -5.868 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.786 -6.431 3.599 1.00 0.00 H new ATOM 0 HG SER A 47 11.593 -7.229 1.778 1.00 0.00 H new ATOM 675 N PHE A 48 9.971 -4.173 2.864 1.00 0.00 N ATOM 676 CA PHE A 48 8.582 -4.016 3.279 1.00 0.00 C ATOM 677 C PHE A 48 8.014 -5.337 3.789 1.00 0.00 C ATOM 678 O PHE A 48 8.306 -6.401 3.242 1.00 0.00 O ATOM 679 CB PHE A 48 7.737 -3.500 2.113 1.00 0.00 C ATOM 680 CG PHE A 48 7.993 -2.058 1.778 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.955 -1.087 2.766 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.272 -1.674 0.476 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.189 0.240 2.461 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.507 -0.348 0.165 1.00 0.00 C ATOM 685 CZ PHE A 48 8.465 0.611 1.159 1.00 0.00 C ATOM 0 H PHE A 48 10.102 -4.269 1.857 1.00 0.00 H new ATOM 0 HA PHE A 48 8.550 -3.290 4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.937 -4.110 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.682 -3.626 2.356 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.740 -1.371 3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.306 -2.420 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.156 0.987 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.723 -0.062 -0.854 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.647 1.648 0.919 1.00 0.00 H new ATOM 695 N SER A 49 7.203 -5.262 4.840 1.00 0.00 N ATOM 696 CA SER A 49 6.597 -6.454 5.423 1.00 0.00 C ATOM 697 C SER A 49 5.096 -6.265 5.621 1.00 0.00 C ATOM 698 O SER A 49 4.658 -5.290 6.231 1.00 0.00 O ATOM 699 CB SER A 49 7.260 -6.786 6.761 1.00 0.00 C ATOM 700 OG SER A 49 7.384 -8.186 6.936 1.00 0.00 O ATOM 0 H SER A 49 6.951 -4.390 5.305 1.00 0.00 H new ATOM 0 HA SER A 49 6.751 -7.282 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.245 -6.322 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.671 -6.365 7.576 1.00 0.00 H new ATOM 0 HG SER A 49 7.812 -8.371 7.798 1.00 0.00 H new ATOM 706 N TRP A 50 4.313 -7.207 5.104 1.00 0.00 N ATOM 707 CA TRP A 50 2.862 -7.147 5.226 1.00 0.00 C ATOM 708 C TRP A 50 2.420 -7.548 6.629 1.00 0.00 C ATOM 709 O TRP A 50 2.644 -8.678 7.063 1.00 0.00 O ATOM 710 CB TRP A 50 2.205 -8.063 4.191 1.00 0.00 C ATOM 711 CG TRP A 50 2.069 -7.433 2.839 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.645 -7.857 1.676 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.308 -6.265 2.508 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.289 -7.025 0.642 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.469 -6.040 1.127 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.505 -5.389 3.244 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.857 -4.976 0.470 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.101 -4.333 2.589 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.077 -4.134 1.215 1.00 0.00 C ATOM 0 H TRP A 50 4.660 -8.021 4.597 1.00 0.00 H new ATOM 0 HA TRP A 50 2.547 -6.119 5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.793 -8.976 4.100 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.217 -8.354 4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.287 -8.720 1.582 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.587 -7.124 -0.329 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.361 -5.534 4.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.993 -4.821 -0.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.723 -3.649 3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.411 -3.299 0.733 1.00 0.00 H new ATOM 730 N GLY A 51 1.793 -6.614 7.336 1.00 0.00 N ATOM 731 CA GLY A 51 1.331 -6.889 8.684 1.00 0.00 C ATOM 732 C GLY A 51 2.199 -6.238 9.745 1.00 0.00 C ATOM 733 O GLY A 51 2.049 -6.521 10.934 1.00 0.00 O ATOM 0 H GLY A 51 1.596 -5.671 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.306 -6.535 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.314 -7.967 8.845 1.00 0.00 H new ATOM 737 N GLY A 52 3.106 -5.363 9.320 1.00 0.00 N ATOM 738 CA GLY A 52 3.980 -4.687 10.259 1.00 0.00 C ATOM 739 C GLY A 52 3.469 -3.310 10.630 1.00 0.00 C ATOM 740 O GLY A 52 2.263 -3.068 10.630 1.00 0.00 O ATOM 0 H GLY A 52 3.250 -5.111 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.078 -5.291 11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.976 -4.598 9.826 1.00 0.00 H new ATOM 744 N GLU A 53 4.388 -2.404 10.949 1.00 0.00 N ATOM 745 CA GLU A 53 4.019 -1.044 11.322 1.00 0.00 C ATOM 746 C GLU A 53 5.256 -0.197 11.600 1.00 0.00 C ATOM 747 O GLU A 53 6.331 -0.723 11.889 1.00 0.00 O ATOM 748 CB GLU A 53 3.111 -1.061 12.552 1.00 0.00 C ATOM 749 CG GLU A 53 3.610 -1.968 13.665 1.00 0.00 C ATOM 750 CD GLU A 53 3.525 -1.317 15.031 1.00 0.00 C ATOM 751 OE1 GLU A 53 2.744 -0.354 15.183 1.00 0.00 O ATOM 752 OE2 GLU A 53 4.240 -1.770 15.950 1.00 0.00 O ATOM 0 H GLU A 53 5.391 -2.587 10.957 1.00 0.00 H new ATOM 0 HA GLU A 53 3.480 -0.599 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.016 -0.046 12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.114 -1.383 12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.025 -2.888 13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.644 -2.248 13.464 1.00 0.00 H new ATOM 759 N ASN A 54 5.093 1.119 11.511 1.00 0.00 N ATOM 760 CA ASN A 54 6.193 2.048 11.753 1.00 0.00 C ATOM 761 C ASN A 54 7.283 1.890 10.696 1.00 0.00 C ATOM 762 O ASN A 54 8.456 2.155 10.959 1.00 0.00 O ATOM 763 CB ASN A 54 6.788 1.831 13.149 1.00 0.00 C ATOM 764 CG ASN A 54 5.752 1.405 14.170 1.00 0.00 C ATOM 765 OD1 ASN A 54 6.014 0.553 15.019 1.00 0.00 O ATOM 766 ND2 ASN A 54 4.568 1.997 14.092 1.00 0.00 N ATOM 0 H ASN A 54 4.208 1.568 11.273 1.00 0.00 H new ATOM 0 HA ASN A 54 5.793 3.060 11.693 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.569 1.072 13.092 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.263 2.753 13.484 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.830 1.751 14.752 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.395 2.698 13.372 1.00 0.00 H new ATOM 773 N PHE A 55 6.889 1.459 9.501 1.00 0.00 N ATOM 774 CA PHE A 55 7.836 1.270 8.410 1.00 0.00 C ATOM 775 C PHE A 55 8.500 2.592 8.033 1.00 0.00 C ATOM 776 O PHE A 55 9.694 2.637 7.734 1.00 0.00 O ATOM 777 CB PHE A 55 7.129 0.664 7.193 1.00 0.00 C ATOM 778 CG PHE A 55 6.283 1.646 6.428 1.00 0.00 C ATOM 779 CD1 PHE A 55 5.022 1.996 6.882 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.753 2.218 5.257 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.244 2.898 6.180 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.980 3.120 4.552 1.00 0.00 C ATOM 783 CZ PHE A 55 4.724 3.460 5.013 1.00 0.00 C ATOM 0 H PHE A 55 5.922 1.235 9.265 1.00 0.00 H new ATOM 0 HA PHE A 55 8.612 0.582 8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.878 0.244 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.500 -0.162 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.642 1.560 7.794 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.735 1.956 4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.262 3.163 6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.358 3.559 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.118 4.164 4.462 1.00 0.00 H new ATOM 793 N SER A 56 7.717 3.666 8.051 1.00 0.00 N ATOM 794 CA SER A 56 8.226 4.991 7.713 1.00 0.00 C ATOM 795 C SER A 56 9.264 5.453 8.730 1.00 0.00 C ATOM 796 O SER A 56 10.146 6.251 8.412 1.00 0.00 O ATOM 797 CB SER A 56 7.077 5.998 7.647 1.00 0.00 C ATOM 798 OG SER A 56 7.566 7.326 7.567 1.00 0.00 O ATOM 0 H SER A 56 6.727 3.645 8.296 1.00 0.00 H new ATOM 0 HA SER A 56 8.705 4.930 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.452 5.785 6.780 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.446 5.892 8.529 1.00 0.00 H new ATOM 0 HG SER A 56 6.812 7.950 7.524 1.00 0.00 H new ATOM 804 N GLY A 57 9.154 4.948 9.956 1.00 0.00 N ATOM 805 CA GLY A 57 10.092 5.321 11.001 1.00 0.00 C ATOM 806 C GLY A 57 11.537 5.130 10.583 1.00 0.00 C ATOM 807 O GLY A 57 12.430 5.817 11.079 1.00 0.00 O ATOM 0 H GLY A 57 8.432 4.287 10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.931 6.364 11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.894 4.725 11.892 1.00 0.00 H new ATOM 811 N SER A 58 11.767 4.195 9.667 1.00 0.00 N ATOM 812 CA SER A 58 13.113 3.916 9.179 1.00 0.00 C ATOM 813 C SER A 58 13.174 4.030 7.658 1.00 0.00 C ATOM 814 O SER A 58 14.000 3.385 7.012 1.00 0.00 O ATOM 815 CB SER A 58 13.560 2.519 9.618 1.00 0.00 C ATOM 816 OG SER A 58 12.469 1.765 10.118 1.00 0.00 O ATOM 0 H SER A 58 11.038 3.617 9.247 1.00 0.00 H new ATOM 0 HA SER A 58 13.789 4.656 9.608 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.010 1.996 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.328 2.605 10.386 1.00 0.00 H new ATOM 0 HG SER A 58 12.782 0.877 10.389 1.00 0.00 H new ATOM 822 N ALA A 59 12.297 4.853 7.093 1.00 0.00 N ATOM 823 CA ALA A 59 12.254 5.050 5.650 1.00 0.00 C ATOM 824 C ALA A 59 12.293 6.533 5.297 1.00 0.00 C ATOM 825 O ALA A 59 12.052 7.390 6.148 1.00 0.00 O ATOM 826 CB ALA A 59 11.011 4.394 5.065 1.00 0.00 C ATOM 0 H ALA A 59 11.606 5.394 7.613 1.00 0.00 H new ATOM 0 HA ALA A 59 13.136 4.579 5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.991 4.549 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.029 3.325 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.121 4.838 5.511 1.00 0.00 H new ATOM 832 N SER A 60 12.597 6.828 4.039 1.00 0.00 N ATOM 833 CA SER A 60 12.668 8.208 3.573 1.00 0.00 C ATOM 834 C SER A 60 11.997 8.357 2.211 1.00 0.00 C ATOM 835 O SER A 60 11.974 7.418 1.416 1.00 0.00 O ATOM 836 CB SER A 60 14.124 8.667 3.490 1.00 0.00 C ATOM 837 OG SER A 60 14.706 8.753 4.780 1.00 0.00 O ATOM 0 H SER A 60 12.798 6.130 3.323 1.00 0.00 H new ATOM 0 HA SER A 60 12.138 8.835 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.694 7.970 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.175 9.639 2.999 1.00 0.00 H new ATOM 0 HG SER A 60 15.637 9.047 4.700 1.00 0.00 H new ATOM 843 N ASN A 61 11.454 9.547 1.953 1.00 0.00 N ATOM 844 CA ASN A 61 10.776 9.842 0.689 1.00 0.00 C ATOM 845 C ASN A 61 9.936 8.658 0.210 1.00 0.00 C ATOM 846 O ASN A 61 10.190 8.092 -0.854 1.00 0.00 O ATOM 847 CB ASN A 61 11.792 10.235 -0.389 1.00 0.00 C ATOM 848 CG ASN A 61 13.038 9.371 -0.364 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.096 9.800 0.098 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.918 8.147 -0.861 1.00 0.00 N ATOM 0 H ASN A 61 11.471 10.329 2.608 1.00 0.00 H new ATOM 0 HA ASN A 61 10.104 10.681 0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.322 10.159 -1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.076 11.278 -0.251 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.722 7.519 -0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.022 7.833 -1.233 1.00 0.00 H new ATOM 857 N ILE A 62 8.935 8.292 1.002 1.00 0.00 N ATOM 858 CA ILE A 62 8.056 7.179 0.660 1.00 0.00 C ATOM 859 C ILE A 62 6.912 7.646 -0.234 1.00 0.00 C ATOM 860 O ILE A 62 6.140 8.528 0.141 1.00 0.00 O ATOM 861 CB ILE A 62 7.466 6.511 1.920 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.517 6.426 3.031 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.929 5.126 1.584 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.999 5.793 4.304 1.00 0.00 C ATOM 0 H ILE A 62 8.711 8.750 1.886 1.00 0.00 H new ATOM 0 HA ILE A 62 8.664 6.449 0.127 1.00 0.00 H new ATOM 0 HB ILE A 62 6.640 7.125 2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.370 5.852 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.880 7.429 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.516 4.668 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.148 5.212 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.738 4.505 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.796 5.765 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.165 6.379 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.663 4.777 4.095 1.00 0.00 H new ATOM 876 N THR A 63 6.810 7.053 -1.420 1.00 0.00 N ATOM 877 CA THR A 63 5.759 7.416 -2.365 1.00 0.00 C ATOM 878 C THR A 63 5.260 6.193 -3.128 1.00 0.00 C ATOM 879 O THR A 63 5.961 5.188 -3.239 1.00 0.00 O ATOM 880 CB THR A 63 6.272 8.471 -3.347 1.00 0.00 C ATOM 881 OG1 THR A 63 7.679 8.386 -3.485 1.00 0.00 O ATOM 882 CG2 THR A 63 5.936 9.888 -2.932 1.00 0.00 C ATOM 0 H THR A 63 7.440 6.321 -1.749 1.00 0.00 H new ATOM 0 HA THR A 63 4.925 7.829 -1.799 1.00 0.00 H new ATOM 0 HB THR A 63 5.769 8.257 -4.290 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.987 9.067 -4.118 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.328 10.586 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.854 10.001 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.384 10.098 -1.961 1.00 0.00 H new ATOM 890 N LEU A 64 4.043 6.290 -3.655 1.00 0.00 N ATOM 891 CA LEU A 64 3.446 5.195 -4.411 1.00 0.00 C ATOM 892 C LEU A 64 3.459 5.496 -5.907 1.00 0.00 C ATOM 893 O LEU A 64 3.043 6.572 -6.336 1.00 0.00 O ATOM 894 CB LEU A 64 2.011 4.947 -3.941 1.00 0.00 C ATOM 895 CG LEU A 64 1.372 3.658 -4.460 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.859 2.463 -3.657 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.145 3.756 -4.407 1.00 0.00 C ATOM 0 H LEU A 64 3.451 7.116 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 64 4.039 4.298 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.001 4.926 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.393 5.790 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 64 1.670 3.519 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.395 1.554 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.942 2.382 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.590 2.595 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.583 2.830 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.463 3.919 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.478 4.590 -5.026 1.00 0.00 H new ATOM 909 N ASP A 65 3.939 4.539 -6.694 1.00 0.00 N ATOM 910 CA ASP A 65 4.006 4.703 -8.142 1.00 0.00 C ATOM 911 C ASP A 65 3.359 3.520 -8.857 1.00 0.00 C ATOM 912 O ASP A 65 3.302 2.413 -8.320 1.00 0.00 O ATOM 913 CB ASP A 65 5.461 4.850 -8.592 1.00 0.00 C ATOM 914 CG ASP A 65 5.906 6.299 -8.642 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.697 6.948 -9.688 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.464 6.783 -7.636 1.00 0.00 O ATOM 0 H ASP A 65 4.287 3.642 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 65 3.457 5.607 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.107 4.297 -7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.581 4.402 -9.578 1.00 0.00 H new ATOM 921 N ILE A 66 2.875 3.762 -10.071 1.00 0.00 N ATOM 922 CA ILE A 66 2.235 2.721 -10.861 1.00 0.00 C ATOM 923 C ILE A 66 3.274 1.912 -11.635 1.00 0.00 C ATOM 924 O ILE A 66 4.287 2.449 -12.082 1.00 0.00 O ATOM 925 CB ILE A 66 1.204 3.329 -11.841 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.097 3.655 -11.104 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.936 2.391 -13.011 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.901 2.431 -10.714 1.00 0.00 C ATOM 0 H ILE A 66 2.915 4.673 -10.528 1.00 0.00 H new ATOM 0 HA ILE A 66 1.713 2.055 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 66 1.621 4.252 -12.244 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.138 4.225 -10.205 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.711 4.296 -11.736 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.208 2.846 -13.682 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.865 2.210 -13.552 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.544 1.445 -12.637 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.808 2.742 -10.196 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.168 1.871 -11.610 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.305 1.799 -10.055 1.00 0.00 H new ATOM 940 N GLU A 67 3.013 0.619 -11.787 1.00 0.00 N ATOM 941 CA GLU A 67 3.922 -0.266 -12.506 1.00 0.00 C ATOM 942 C GLU A 67 3.154 -1.392 -13.191 1.00 0.00 C ATOM 943 O GLU A 67 2.386 -2.111 -12.553 1.00 0.00 O ATOM 944 CB GLU A 67 4.964 -0.848 -11.547 1.00 0.00 C ATOM 945 CG GLU A 67 6.394 -0.697 -12.039 1.00 0.00 C ATOM 946 CD GLU A 67 7.152 -2.011 -12.046 1.00 0.00 C ATOM 947 OE1 GLU A 67 6.939 -2.824 -11.122 1.00 0.00 O ATOM 948 OE2 GLU A 67 7.957 -2.227 -12.976 1.00 0.00 O ATOM 0 H GLU A 67 2.179 0.160 -11.422 1.00 0.00 H new ATOM 0 HA GLU A 67 4.432 0.318 -13.272 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.868 -0.358 -10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.752 -1.906 -11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.385 -0.282 -13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.919 0.017 -11.405 1.00 0.00 H new ATOM 955 N GLY A 68 3.368 -1.539 -14.495 1.00 0.00 N ATOM 956 CA GLY A 68 2.688 -2.579 -15.244 1.00 0.00 C ATOM 957 C GLY A 68 1.528 -2.043 -16.060 1.00 0.00 C ATOM 958 O GLY A 68 1.014 -0.959 -15.785 1.00 0.00 O ATOM 0 H GLY A 68 3.999 -0.957 -15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.400 -3.068 -15.909 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.322 -3.339 -14.554 1.00 0.00 H new ATOM 962 N ASP A 69 1.114 -2.806 -17.066 1.00 0.00 N ATOM 963 CA ASP A 69 0.006 -2.405 -17.926 1.00 0.00 C ATOM 964 C ASP A 69 -1.329 -2.494 -17.187 1.00 0.00 C ATOM 965 O ASP A 69 -2.323 -1.905 -17.613 1.00 0.00 O ATOM 966 CB ASP A 69 -0.031 -3.279 -19.183 1.00 0.00 C ATOM 967 CG ASP A 69 0.182 -2.476 -20.452 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.941 -1.485 -20.406 1.00 0.00 O ATOM 969 OD2 ASP A 69 -0.408 -2.839 -21.491 1.00 0.00 O ATOM 0 H ASP A 69 1.529 -3.706 -17.306 1.00 0.00 H new ATOM 0 HA ASP A 69 0.165 -1.366 -18.216 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.738 -4.049 -19.110 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.991 -3.792 -19.238 1.00 0.00 H new ATOM 974 N ASP A 70 -1.347 -3.233 -16.081 1.00 0.00 N ATOM 975 CA ASP A 70 -2.563 -3.395 -15.291 1.00 0.00 C ATOM 976 C ASP A 70 -2.725 -2.262 -14.278 1.00 0.00 C ATOM 977 O ASP A 70 -3.755 -2.160 -13.612 1.00 0.00 O ATOM 978 CB ASP A 70 -2.545 -4.743 -14.566 1.00 0.00 C ATOM 979 CG ASP A 70 -3.325 -5.809 -15.310 1.00 0.00 C ATOM 980 OD1 ASP A 70 -4.558 -5.882 -15.123 1.00 0.00 O ATOM 981 OD2 ASP A 70 -2.703 -6.571 -16.079 1.00 0.00 O ATOM 0 H ASP A 70 -0.535 -3.728 -15.712 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.412 -3.362 -15.974 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.513 -5.072 -14.441 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.964 -4.621 -13.567 1.00 0.00 H new ATOM 986 N ASN A 71 -1.705 -1.414 -14.160 1.00 0.00 N ATOM 987 CA ASN A 71 -1.744 -0.296 -13.224 1.00 0.00 C ATOM 988 C ASN A 71 -1.750 -0.799 -11.788 1.00 0.00 C ATOM 989 O ASN A 71 -2.776 -0.769 -11.109 1.00 0.00 O ATOM 990 CB ASN A 71 -2.972 0.580 -13.478 1.00 0.00 C ATOM 991 CG ASN A 71 -3.098 0.993 -14.932 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.468 1.954 -15.373 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.914 0.265 -15.685 1.00 0.00 N ATOM 0 H ASN A 71 -0.843 -1.481 -14.701 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.849 0.306 -13.380 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.869 0.039 -13.178 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.914 1.472 -12.854 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.038 0.494 -16.671 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.417 -0.523 -15.277 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.594 -1.265 -11.336 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.457 -1.782 -9.984 1.00 0.00 C ATOM 1002 C ILE A 72 0.249 -0.774 -9.078 1.00 0.00 C ATOM 1003 O ILE A 72 1.347 -0.313 -9.389 1.00 0.00 O ATOM 1004 CB ILE A 72 0.326 -3.110 -9.963 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.091 -3.901 -11.254 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.080 -3.934 -8.754 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.344 -4.342 -11.441 1.00 0.00 C ATOM 0 H ILE A 72 0.263 -1.295 -11.888 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.466 -1.959 -9.611 1.00 0.00 H new ATOM 0 HB ILE A 72 1.390 -2.884 -9.894 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.388 -3.288 -12.105 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.736 -4.780 -11.254 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.478 -4.870 -8.748 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.137 -3.376 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.148 -4.149 -8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.436 -4.896 -12.375 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.639 -4.982 -10.609 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.992 -3.466 -11.473 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.374 -0.415 -7.939 1.00 0.00 N ATOM 1020 CA PRO A 73 0.205 0.544 -6.993 1.00 0.00 C ATOM 1021 C PRO A 73 1.405 -0.030 -6.246 1.00 0.00 C ATOM 1022 O PRO A 73 1.249 -0.809 -5.306 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.944 0.824 -6.023 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.792 -0.398 -6.078 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.687 -0.914 -7.486 1.00 0.00 C ATOM 0 HA PRO A 73 0.583 1.434 -7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.575 1.004 -5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.506 1.710 -6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.447 -1.144 -5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.826 -0.167 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.736 -2.002 -7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.497 -0.539 -8.112 1.00 0.00 H new ATOM 1033 N VAL A 74 2.602 0.361 -6.672 1.00 0.00 N ATOM 1034 CA VAL A 74 3.829 -0.115 -6.043 1.00 0.00 C ATOM 1035 C VAL A 74 4.467 0.972 -5.184 1.00 0.00 C ATOM 1036 O VAL A 74 4.855 2.027 -5.687 1.00 0.00 O ATOM 1037 CB VAL A 74 4.852 -0.587 -7.094 1.00 0.00 C ATOM 1038 CG1 VAL A 74 6.037 -1.263 -6.421 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.194 -1.522 -8.097 1.00 0.00 C ATOM 0 H VAL A 74 2.748 1.005 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 74 3.552 -0.958 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 74 5.220 0.286 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.749 -1.589 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.523 -0.558 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.689 -2.127 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.932 -1.845 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.796 -2.392 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.383 -0.999 -8.603 1.00 0.00 H new ATOM 1049 N LEU A 75 4.572 0.707 -3.885 1.00 0.00 N ATOM 1050 CA LEU A 75 5.164 1.662 -2.954 1.00 0.00 C ATOM 1051 C LEU A 75 6.670 1.452 -2.851 1.00 0.00 C ATOM 1052 O LEU A 75 7.132 0.394 -2.425 1.00 0.00 O ATOM 1053 CB LEU A 75 4.519 1.524 -1.573 1.00 0.00 C ATOM 1054 CG LEU A 75 5.079 2.455 -0.494 1.00 0.00 C ATOM 1055 CD1 LEU A 75 5.091 3.896 -0.981 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.268 2.329 0.787 1.00 0.00 C ATOM 0 H LEU A 75 4.255 -0.161 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 75 4.981 2.668 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.449 1.709 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.635 0.494 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 75 6.107 2.159 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.492 4.541 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.715 3.974 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.074 4.207 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.678 2.997 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.231 2.599 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.313 1.301 1.147 1.00 0.00 H new ATOM 1068 N ARG A 76 7.431 2.467 -3.247 1.00 0.00 N ATOM 1069 CA ARG A 76 8.888 2.392 -3.204 1.00 0.00 C ATOM 1070 C ARG A 76 9.464 3.427 -2.242 1.00 0.00 C ATOM 1071 O ARG A 76 9.066 4.591 -2.256 1.00 0.00 O ATOM 1072 CB ARG A 76 9.470 2.604 -4.603 1.00 0.00 C ATOM 1073 CG ARG A 76 9.590 1.322 -5.411 1.00 0.00 C ATOM 1074 CD ARG A 76 9.650 1.609 -6.903 1.00 0.00 C ATOM 1075 NE ARG A 76 8.319 1.731 -7.491 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.084 1.735 -8.801 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.088 1.624 -9.662 1.00 0.00 N ATOM 1078 NH2 ARG A 76 6.842 1.851 -9.252 1.00 0.00 N ATOM 0 H ARG A 76 7.064 3.350 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 76 9.163 1.400 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.841 3.309 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.456 3.061 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.486 0.781 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.739 0.675 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.207 2.530 -7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.196 0.810 -7.404 1.00 0.00 H new ATOM 0 HE ARG A 76 7.522 1.818 -6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.045 1.535 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.902 1.628 -10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.067 1.937 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.662 1.854 -10.256 1.00 0.00 H new ATOM 1092 N ALA A 77 10.406 2.992 -1.410 1.00 0.00 N ATOM 1093 CA ALA A 77 11.040 3.880 -0.443 1.00 0.00 C ATOM 1094 C ALA A 77 12.298 3.246 0.141 1.00 0.00 C ATOM 1095 O ALA A 77 12.371 2.029 0.311 1.00 0.00 O ATOM 1096 CB ALA A 77 10.062 4.235 0.666 1.00 0.00 C ATOM 0 H ALA A 77 10.746 2.031 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 77 11.332 4.793 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.548 4.898 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.193 4.736 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.742 3.325 1.174 1.00 0.00 H new ATOM 1102 N GLU A 78 13.287 4.080 0.450 1.00 0.00 N ATOM 1103 CA GLU A 78 14.542 3.600 1.019 1.00 0.00 C ATOM 1104 C GLU A 78 14.357 3.207 2.481 1.00 0.00 C ATOM 1105 O GLU A 78 14.180 4.064 3.346 1.00 0.00 O ATOM 1106 CB GLU A 78 15.624 4.674 0.900 1.00 0.00 C ATOM 1107 CG GLU A 78 15.701 5.312 -0.478 1.00 0.00 C ATOM 1108 CD GLU A 78 16.757 6.397 -0.560 1.00 0.00 C ATOM 1109 OE1 GLU A 78 16.499 7.515 -0.066 1.00 0.00 O ATOM 1110 OE2 GLU A 78 17.842 6.128 -1.118 1.00 0.00 O ATOM 0 H GLU A 78 13.244 5.090 0.316 1.00 0.00 H new ATOM 0 HA GLU A 78 14.854 2.718 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.435 5.451 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.591 4.232 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.918 4.543 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.730 5.736 -0.733 1.00 0.00 H new ATOM 1117 N LEU A 79 14.394 1.905 2.749 1.00 0.00 N ATOM 1118 CA LEU A 79 14.224 1.399 4.106 1.00 0.00 C ATOM 1119 C LEU A 79 15.572 1.173 4.784 1.00 0.00 C ATOM 1120 O LEU A 79 16.575 0.905 4.122 1.00 0.00 O ATOM 1121 CB LEU A 79 13.429 0.093 4.086 1.00 0.00 C ATOM 1122 CG LEU A 79 11.922 0.255 3.882 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.285 -1.082 3.538 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.277 0.851 5.124 1.00 0.00 C ATOM 0 H LEU A 79 14.540 1.182 2.044 1.00 0.00 H new ATOM 0 HA LEU A 79 13.675 2.148 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.822 -0.541 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.599 -0.432 5.026 1.00 0.00 H new ATOM 0 HG LEU A 79 11.758 0.938 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.213 -0.948 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.727 -1.470 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.458 -1.787 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.205 0.959 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.450 0.193 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.714 1.829 5.327 1.00 0.00 H new ATOM 1136 N ASN A 80 15.585 1.279 6.109 1.00 0.00 N ATOM 1137 CA ASN A 80 16.803 1.082 6.884 1.00 0.00 C ATOM 1138 C ASN A 80 16.810 -0.302 7.533 1.00 0.00 C ATOM 1139 O ASN A 80 16.033 -0.567 8.451 1.00 0.00 O ATOM 1140 CB ASN A 80 16.927 2.162 7.961 1.00 0.00 C ATOM 1141 CG ASN A 80 17.703 3.372 7.479 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.933 3.393 7.522 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.985 4.389 7.017 1.00 0.00 N ATOM 0 H ASN A 80 14.762 1.501 6.669 1.00 0.00 H new ATOM 0 HA ASN A 80 17.654 1.155 6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.931 2.474 8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.421 1.742 8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.452 5.231 6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.967 4.328 7.000 1.00 0.00 H new ATOM 1150 N PRO A 81 17.686 -1.209 7.064 1.00 0.00 N ATOM 1151 CA PRO A 81 17.780 -2.567 7.605 1.00 0.00 C ATOM 1152 C PRO A 81 18.455 -2.602 8.971 1.00 0.00 C ATOM 1153 O PRO A 81 19.060 -1.621 9.404 1.00 0.00 O ATOM 1154 CB PRO A 81 18.633 -3.299 6.570 1.00 0.00 C ATOM 1155 CG PRO A 81 19.485 -2.236 5.969 1.00 0.00 C ATOM 1156 CD PRO A 81 18.650 -0.983 5.971 1.00 0.00 C ATOM 0 HA PRO A 81 16.798 -3.013 7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.238 -4.078 7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.013 -3.784 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.399 -2.096 6.546 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.785 -2.503 4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.258 -0.096 6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.146 -0.836 5.016 1.00 0.00 H new ATOM 1164 N MET A 82 18.348 -3.742 9.643 1.00 0.00 N ATOM 1165 CA MET A 82 18.948 -3.916 10.960 1.00 0.00 C ATOM 1166 C MET A 82 20.456 -4.119 10.850 1.00 0.00 C ATOM 1167 O MET A 82 21.197 -3.865 11.801 1.00 0.00 O ATOM 1168 CB MET A 82 18.312 -5.107 11.678 1.00 0.00 C ATOM 1169 CG MET A 82 18.261 -6.369 10.833 1.00 0.00 C ATOM 1170 SD MET A 82 18.062 -7.862 11.824 1.00 0.00 S ATOM 1171 CE MET A 82 17.264 -8.947 10.643 1.00 0.00 C ATOM 0 H MET A 82 17.850 -4.562 9.296 1.00 0.00 H new ATOM 0 HA MET A 82 18.764 -3.011 11.538 1.00 0.00 H new ATOM 0 HB2 MET A 82 18.872 -5.313 12.590 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.299 -4.840 11.980 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.435 -6.295 10.126 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.177 -6.446 10.247 1.00 0.00 H new ATOM 0 HE1 MET A 82 17.074 -9.914 11.108 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.319 -8.506 10.324 1.00 0.00 H new ATOM 0 HE3 MET A 82 17.912 -9.082 9.777 1.00 0.00 H new ATOM 1181 N ASP A 83 20.907 -4.580 9.686 1.00 0.00 N ATOM 1182 CA ASP A 83 22.327 -4.816 9.457 1.00 0.00 C ATOM 1183 C ASP A 83 23.071 -3.500 9.258 1.00 0.00 C ATOM 1184 O ASP A 83 24.181 -3.321 9.758 1.00 0.00 O ATOM 1185 CB ASP A 83 22.525 -5.716 8.236 1.00 0.00 C ATOM 1186 CG ASP A 83 21.684 -6.976 8.303 1.00 0.00 C ATOM 1187 OD1 ASP A 83 21.743 -7.675 9.337 1.00 0.00 O ATOM 1188 OD2 ASP A 83 20.967 -7.265 7.322 1.00 0.00 O ATOM 0 H ASP A 83 20.309 -4.797 8.889 1.00 0.00 H new ATOM 0 HA ASP A 83 22.734 -5.314 10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 83 22.270 -5.160 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.577 -5.989 8.156 1.00 0.00 H new ATOM 1193 N GLY A 84 22.451 -2.582 8.524 1.00 0.00 N ATOM 1194 CA GLY A 84 23.069 -1.294 8.271 1.00 0.00 C ATOM 1195 C GLY A 84 22.921 -0.855 6.828 1.00 0.00 C ATOM 1196 O GLY A 84 22.706 -1.680 5.940 1.00 0.00 O ATOM 0 H GLY A 84 21.532 -2.707 8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.621 -0.545 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.128 -1.346 8.525 1.00 0.00 H new ATOM 1200 N ASP A 85 23.038 0.448 6.593 1.00 0.00 N ATOM 1201 CA ASP A 85 22.917 0.997 5.247 1.00 0.00 C ATOM 1202 C ASP A 85 21.515 0.760 4.686 1.00 0.00 C ATOM 1203 O ASP A 85 21.133 -0.380 4.421 1.00 0.00 O ATOM 1204 CB ASP A 85 23.961 0.369 4.321 1.00 0.00 C ATOM 1205 CG ASP A 85 25.368 0.484 4.873 1.00 0.00 C ATOM 1206 OD1 ASP A 85 25.990 1.553 4.696 1.00 0.00 O ATOM 1207 OD2 ASP A 85 25.849 -0.494 5.483 1.00 0.00 O ATOM 0 H ASP A 85 23.217 1.144 7.317 1.00 0.00 H new ATOM 0 HA ASP A 85 23.090 2.072 5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 85 23.719 -0.683 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.916 0.854 3.346 1.00 0.00 H new ATOM 1212 N PRO A 86 20.726 1.833 4.495 1.00 0.00 N ATOM 1213 CA PRO A 86 19.364 1.723 3.962 1.00 0.00 C ATOM 1214 C PRO A 86 19.348 1.263 2.509 1.00 0.00 C ATOM 1215 O PRO A 86 20.226 1.623 1.724 1.00 0.00 O ATOM 1216 CB PRO A 86 18.813 3.147 4.079 1.00 0.00 C ATOM 1217 CG PRO A 86 20.018 4.022 4.091 1.00 0.00 C ATOM 1218 CD PRO A 86 21.094 3.233 4.781 1.00 0.00 C ATOM 0 HA PRO A 86 18.776 0.982 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.158 3.388 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.226 3.270 4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.318 4.288 3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.818 4.954 4.619 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.083 3.476 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.115 3.433 5.852 1.00 0.00 H new ATOM 1226 N VAL A 87 18.346 0.464 2.155 1.00 0.00 N ATOM 1227 CA VAL A 87 18.219 -0.045 0.795 1.00 0.00 C ATOM 1228 C VAL A 87 16.870 0.328 0.191 1.00 0.00 C ATOM 1229 O VAL A 87 15.906 0.588 0.912 1.00 0.00 O ATOM 1230 CB VAL A 87 18.382 -1.576 0.750 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.829 -1.967 1.004 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.457 -2.240 1.758 1.00 0.00 C ATOM 0 H VAL A 87 17.611 0.156 2.791 1.00 0.00 H new ATOM 0 HA VAL A 87 19.016 0.416 0.211 1.00 0.00 H new ATOM 0 HB VAL A 87 18.107 -1.924 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.924 -3.052 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.466 -1.521 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.136 -1.608 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.585 -3.321 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.699 -1.888 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.423 -1.987 1.524 1.00 0.00 H new ATOM 1242 N GLU A 88 16.808 0.353 -1.136 1.00 0.00 N ATOM 1243 CA GLU A 88 15.577 0.694 -1.838 1.00 0.00 C ATOM 1244 C GLU A 88 14.566 -0.444 -1.746 1.00 0.00 C ATOM 1245 O GLU A 88 14.779 -1.524 -2.298 1.00 0.00 O ATOM 1246 CB GLU A 88 15.873 1.015 -3.305 1.00 0.00 C ATOM 1247 CG GLU A 88 15.657 2.476 -3.663 1.00 0.00 C ATOM 1248 CD GLU A 88 16.948 3.190 -4.014 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.421 3.031 -5.160 1.00 0.00 O ATOM 1250 OE2 GLU A 88 17.486 3.907 -3.145 1.00 0.00 O ATOM 0 H GLU A 88 17.597 0.141 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 88 15.148 1.575 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.905 0.744 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.238 0.396 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.970 2.541 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.182 2.985 -2.824 1.00 0.00 H new ATOM 1257 N ALA A 89 13.464 -0.195 -1.047 1.00 0.00 N ATOM 1258 CA ALA A 89 12.419 -1.197 -0.885 1.00 0.00 C ATOM 1259 C ALA A 89 11.210 -0.867 -1.753 1.00 0.00 C ATOM 1260 O ALA A 89 10.872 0.301 -1.945 1.00 0.00 O ATOM 1261 CB ALA A 89 12.010 -1.303 0.576 1.00 0.00 C ATOM 0 H ALA A 89 13.272 0.693 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 89 12.816 -2.159 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.229 -2.056 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.874 -1.590 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.634 -0.339 0.919 1.00 0.00 H new ATOM 1267 N ASN A 90 10.561 -1.902 -2.274 1.00 0.00 N ATOM 1268 CA ASN A 90 9.389 -1.718 -3.122 1.00 0.00 C ATOM 1269 C ASN A 90 8.336 -2.784 -2.834 1.00 0.00 C ATOM 1270 O ASN A 90 8.604 -3.981 -2.943 1.00 0.00 O ATOM 1271 CB ASN A 90 9.790 -1.754 -4.602 1.00 0.00 C ATOM 1272 CG ASN A 90 10.098 -3.156 -5.097 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.422 -3.674 -5.986 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.121 -3.777 -4.523 1.00 0.00 N ATOM 0 H ASN A 90 10.826 -2.876 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 90 8.958 -0.742 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.984 -1.331 -5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.665 -1.121 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.374 -4.721 -4.815 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.655 -3.310 -3.790 1.00 0.00 H new ATOM 1281 N VAL A 91 7.137 -2.343 -2.467 1.00 0.00 N ATOM 1282 CA VAL A 91 6.048 -3.263 -2.167 1.00 0.00 C ATOM 1283 C VAL A 91 4.779 -2.883 -2.921 1.00 0.00 C ATOM 1284 O VAL A 91 4.391 -1.715 -2.957 1.00 0.00 O ATOM 1285 CB VAL A 91 5.741 -3.305 -0.656 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.205 -1.964 -0.175 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.758 -4.423 -0.344 1.00 0.00 C ATOM 0 H VAL A 91 6.896 -1.357 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 91 6.377 -4.251 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 91 6.670 -3.506 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.996 -2.018 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.947 -1.188 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.288 -1.725 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.552 -4.439 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.830 -4.254 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.187 -5.379 -0.645 1.00 0.00 H new ATOM 1297 N ASN A 92 4.134 -3.878 -3.518 1.00 0.00 N ATOM 1298 CA ASN A 92 2.907 -3.652 -4.267 1.00 0.00 C ATOM 1299 C ASN A 92 1.691 -3.844 -3.362 1.00 0.00 C ATOM 1300 O ASN A 92 1.358 -4.966 -2.986 1.00 0.00 O ATOM 1301 CB ASN A 92 2.851 -4.602 -5.472 1.00 0.00 C ATOM 1302 CG ASN A 92 1.437 -4.930 -5.916 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.527 -4.110 -5.793 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.250 -6.137 -6.436 1.00 0.00 N ATOM 0 H ASN A 92 4.442 -4.850 -3.497 1.00 0.00 H new ATOM 0 HA ASN A 92 2.895 -2.626 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.390 -4.152 -6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.369 -5.528 -5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.322 -6.417 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.034 -6.784 -6.518 1.00 0.00 H new ATOM 1311 N LEU A 93 1.033 -2.740 -3.017 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.145 -2.787 -2.154 1.00 0.00 C ATOM 1313 C LEU A 93 -1.137 -3.843 -2.637 1.00 0.00 C ATOM 1314 O LEU A 93 -1.745 -4.551 -1.836 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.825 -1.418 -2.109 1.00 0.00 C ATOM 1316 CG LEU A 93 0.090 -0.251 -1.735 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.697 1.049 -1.683 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.774 -0.517 -0.402 1.00 0.00 C ATOM 0 H LEU A 93 1.295 -1.802 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 93 0.184 -3.057 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.265 -1.216 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.645 -1.460 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 93 0.858 -0.155 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.029 1.868 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.139 1.246 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.487 0.966 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.421 0.323 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.020 -0.639 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.371 -1.426 -0.474 1.00 0.00 H new ATOM 1330 N SER A 94 -1.287 -3.945 -3.953 1.00 0.00 N ATOM 1331 CA SER A 94 -2.199 -4.915 -4.551 1.00 0.00 C ATOM 1332 C SER A 94 -1.827 -6.348 -4.163 1.00 0.00 C ATOM 1333 O SER A 94 -2.607 -7.276 -4.367 1.00 0.00 O ATOM 1334 CB SER A 94 -2.207 -4.767 -6.075 1.00 0.00 C ATOM 1335 OG SER A 94 -1.248 -5.617 -6.681 1.00 0.00 O ATOM 0 H SER A 94 -0.787 -3.366 -4.628 1.00 0.00 H new ATOM 0 HA SER A 94 -3.198 -4.712 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.199 -5.002 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.999 -3.731 -6.343 1.00 0.00 H new ATOM 0 HG SER A 94 -1.560 -5.878 -7.573 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.630 -6.527 -3.613 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.170 -7.851 -3.211 1.00 0.00 C ATOM 1343 C GLU A 95 -1.059 -8.440 -2.121 1.00 0.00 C ATOM 1344 O GLU A 95 -1.443 -9.607 -2.186 1.00 0.00 O ATOM 1345 CB GLU A 95 1.274 -7.786 -2.712 1.00 0.00 C ATOM 1346 CG GLU A 95 2.300 -7.661 -3.826 1.00 0.00 C ATOM 1347 CD GLU A 95 3.340 -8.765 -3.789 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.875 -9.040 -2.694 1.00 0.00 O ATOM 1349 OE2 GLU A 95 3.618 -9.354 -4.854 1.00 0.00 O ATOM 0 H GLU A 95 0.036 -5.775 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.222 -8.497 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.378 -6.936 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.489 -8.683 -2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.789 -7.680 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.799 -6.695 -3.749 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.373 -7.633 -1.111 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.205 -8.092 -0.004 1.00 0.00 C ATOM 1358 C ARG A 96 -3.195 -7.018 0.437 1.00 0.00 C ATOM 1359 O ARG A 96 -3.458 -6.861 1.630 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.324 -8.498 1.180 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.398 -9.664 0.880 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.947 -10.968 1.435 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.533 -11.191 2.818 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.915 -12.237 3.547 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.718 -13.158 3.029 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.492 -12.364 4.797 1.00 0.00 N ATOM 0 H ARG A 96 -1.066 -6.663 -1.037 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.774 -8.954 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.726 -7.640 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.963 -8.760 2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.262 -9.754 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.585 -9.470 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.036 -10.956 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.606 -11.798 0.816 1.00 0.00 H new ATOM 0 HE ARG A 96 0.085 -10.505 3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.046 -13.066 2.067 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.007 -13.957 3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.126 -11.660 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.785 -13.166 5.356 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.751 -6.288 -0.523 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.719 -5.245 -0.212 1.00 0.00 C ATOM 1382 C ILE A 97 -6.013 -5.474 -0.982 1.00 0.00 C ATOM 1383 O ILE A 97 -6.023 -5.453 -2.209 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.154 -3.847 -0.546 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.971 -3.526 0.370 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.233 -2.779 -0.419 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.359 -3.345 1.822 1.00 0.00 C ATOM 0 H ILE A 97 -3.549 -6.398 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.926 -5.289 0.857 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.808 -3.853 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.237 -4.329 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.485 -2.617 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.810 -1.804 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.048 -3.001 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.615 -2.767 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.470 -3.120 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.069 -2.523 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.818 -4.262 2.193 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.102 -5.690 -0.256 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.379 -5.927 -0.901 1.00 0.00 C ATOM 1401 C GLY A 98 -9.420 -4.881 -0.553 1.00 0.00 C ATOM 1402 O GLY A 98 -9.135 -3.925 0.167 1.00 0.00 O ATOM 0 H GLY A 98 -7.125 -5.705 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.237 -5.945 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.749 -6.911 -0.612 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.633 -5.069 -1.065 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.728 -4.142 -0.806 1.00 0.00 C ATOM 1408 C ASN A 99 -12.987 -4.898 -0.393 1.00 0.00 C ATOM 1409 O ASN A 99 -13.667 -5.494 -1.228 1.00 0.00 O ATOM 1410 CB ASN A 99 -12.013 -3.295 -2.047 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.256 -4.141 -3.282 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.463 -5.023 -3.610 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.358 -3.875 -3.974 1.00 0.00 N ATOM 0 H ASN A 99 -10.882 -5.857 -1.663 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.431 -3.485 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.885 -2.667 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.172 -2.626 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.575 -4.411 -4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.988 -3.134 -3.665 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.291 -4.870 0.900 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.468 -5.555 1.422 1.00 0.00 C ATOM 1422 C ASP A 100 -15.663 -4.610 1.493 1.00 0.00 C ATOM 1423 O ASP A 100 -15.642 -3.620 2.224 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.175 -6.130 2.809 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.278 -7.046 3.301 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -15.619 -8.006 2.578 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.802 -6.803 4.408 1.00 0.00 O ATOM 0 H ASP A 100 -12.740 -4.381 1.605 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.714 -6.370 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.235 -6.681 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.043 -5.312 3.518 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.704 -4.924 0.727 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.911 -4.104 0.700 1.00 0.00 C ATOM 1434 C CYS A 101 -17.577 -2.649 0.385 1.00 0.00 C ATOM 1435 O CYS A 101 -18.262 -1.732 0.836 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.642 -4.192 2.041 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.373 -3.674 1.974 1.00 0.00 S ATOM 0 H CYS A 101 -16.736 -5.741 0.117 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.561 -4.486 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.595 -5.220 2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.117 -3.574 2.770 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.451 -2.489 1.446 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.516 -2.447 -0.389 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.107 -1.102 -0.749 1.00 0.00 C ATOM 1445 C GLY A 102 -15.084 -0.526 0.212 1.00 0.00 C ATOM 1446 O GLY A 102 -14.428 0.469 -0.096 1.00 0.00 O ATOM 0 H GLY A 102 -15.932 -3.190 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.690 -1.110 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.983 -0.454 -0.773 1.00 0.00 H new ATOM 1450 N THR A 103 -14.947 -1.150 1.379 1.00 0.00 N ATOM 1451 CA THR A 103 -13.997 -0.688 2.384 1.00 0.00 C ATOM 1452 C THR A 103 -12.616 -1.289 2.143 1.00 0.00 C ATOM 1453 O THR A 103 -12.492 -2.396 1.621 1.00 0.00 O ATOM 1454 CB THR A 103 -14.487 -1.054 3.786 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.815 -0.603 3.986 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.633 -0.470 4.890 1.00 0.00 C ATOM 0 H THR A 103 -15.481 -1.975 1.651 1.00 0.00 H new ATOM 0 HA THR A 103 -13.921 0.396 2.305 1.00 0.00 H new ATOM 0 HB THR A 103 -14.426 -2.141 3.839 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.111 -0.848 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.036 -0.768 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.612 -0.838 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.635 0.617 4.815 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.580 -0.550 2.527 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.207 -1.008 2.354 1.00 0.00 C ATOM 1466 C LEU A 104 -9.855 -2.074 3.386 1.00 0.00 C ATOM 1467 O LEU A 104 -10.022 -1.868 4.589 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.238 0.174 2.464 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.527 0.553 1.164 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.569 -0.549 0.739 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.539 0.836 0.063 1.00 0.00 C ATOM 0 H LEU A 104 -11.666 0.369 2.960 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.117 -1.450 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.788 1.043 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.485 -0.062 3.216 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.950 1.461 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.072 -0.262 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.823 -0.703 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.125 -1.473 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.014 1.104 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.144 -0.053 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.185 1.661 0.365 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.367 -3.215 2.910 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.991 -4.313 3.792 1.00 0.00 C ATOM 1485 C ILE A 105 -7.605 -4.846 3.445 1.00 0.00 C ATOM 1486 O ILE A 105 -6.999 -4.432 2.457 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.008 -5.469 3.718 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.097 -6.014 2.292 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.375 -5.003 4.199 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.287 -7.514 2.229 1.00 0.00 C ATOM 0 H ILE A 105 -9.223 -3.403 1.918 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.981 -3.914 4.806 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.668 -6.273 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.926 -5.529 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.188 -5.748 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.083 -5.830 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.300 -4.661 5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.722 -4.184 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.342 -7.830 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.445 -8.008 2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.211 -7.785 2.740 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.109 -5.767 4.265 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.796 -6.357 4.047 1.00 0.00 C ATOM 1504 C PHE A 106 -5.893 -7.881 3.995 1.00 0.00 C ATOM 1505 O PHE A 106 -6.617 -8.494 4.779 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.832 -5.916 5.155 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.680 -6.856 5.371 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.806 -7.930 6.233 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.478 -6.665 4.710 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.752 -8.801 6.435 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.420 -7.532 4.908 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.557 -8.601 5.772 1.00 0.00 C ATOM 0 H PHE A 106 -7.598 -6.120 5.087 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.411 -6.009 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.441 -4.928 4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.387 -5.817 6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.738 -8.090 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.366 -5.831 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.863 -9.637 7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.487 -7.374 4.388 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.731 -9.279 5.929 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.160 -8.483 3.064 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.163 -9.933 2.907 1.00 0.00 C ATOM 1524 C LEU A 107 -4.510 -10.612 4.107 1.00 0.00 C ATOM 1525 O LEU A 107 -3.285 -10.657 4.216 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.428 -10.326 1.625 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.304 -10.420 0.375 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -5.937 -9.072 0.066 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.487 -10.916 -0.810 1.00 0.00 C ATOM 0 H LEU A 107 -4.556 -7.989 2.407 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.199 -10.265 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.637 -9.599 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.944 -11.290 1.783 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.103 -11.137 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.557 -9.157 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.554 -8.758 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.154 -8.333 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.125 -10.977 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.668 -10.223 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.083 -11.903 -0.585 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.336 -11.140 5.005 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.839 -11.818 6.196 1.00 0.00 C ATOM 1543 C ALA A 108 -5.411 -13.227 6.305 1.00 0.00 C ATOM 1544 O ALA A 108 -6.563 -13.363 6.768 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.176 -11.011 7.441 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.703 -14.184 5.925 1.00 0.00 O ATOM 0 H ALA A 108 -6.353 -11.111 4.930 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.755 -11.900 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.799 -11.529 8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.713 -10.026 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.257 -10.899 7.520 1.00 0.00 H new TER 1552 ALA A 108