USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 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 8 SER OG : rot 120:sc= -1.67! USER MOD Set 1.2: A 23 CYS SG : rot 60:sc= -0.943 USER MOD Set 2.1: A 9 ASN :FLIP amide:sc= -1.89 F(o=-5.8!,f=-2.4) USER MOD Set 2.2: A 10 ASN : amide:sc= -0.492 K(o=-2.4,f=-4!) USER MOD Set 3.1: A 5 HIS : no HE2:sc= -3.56! C(o=-11!,f=-12!) USER MOD Set 3.2: A 92 ASN : amide:sc= -6.3! C(o=-11!,f=-22!) USER MOD Set 3.3: A 94 SER OG : rot 72:sc= -1.38 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0407 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= 0.357 F(o=-0.2,f=0.36) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 17 HIS : no HE2:sc= -6.79! C(o=-6.8!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -5.82! C(o=-5.8!,f=-8.6!) USER MOD Single : A 25 ASN : amide:sc= -1.83 K(o=-1.8,f=-2.8) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -177:sc= 0.923 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 84:sc= 0.54 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.37! C(o=-6.4!,f=-17!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) 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= -1.81 X(o=-1.8,f=-1.9) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00522 X(o=-0.0052,f=-0.12) USER MOD Single : A 80 ASN : amide:sc= -0.909 X(o=-0.91,f=-0.88) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.3) USER MOD Single : A 99 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.7!) USER MOD Single : A 101 CYS SG : rot -49:sc= -0.321 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.583 -12.272 -3.470 1.00 0.00 N ATOM 2 CA MET A 1 -4.745 -11.156 -3.983 1.00 0.00 C ATOM 3 C MET A 1 -5.427 -9.809 -3.762 1.00 0.00 C ATOM 4 O MET A 1 -6.594 -9.749 -3.374 1.00 0.00 O ATOM 5 CB MET A 1 -4.491 -11.383 -5.475 1.00 0.00 C ATOM 6 CG MET A 1 -3.131 -11.993 -5.774 1.00 0.00 C ATOM 7 SD MET A 1 -2.500 -11.520 -7.396 1.00 0.00 S ATOM 8 CE MET A 1 -0.861 -10.939 -6.965 1.00 0.00 C ATOM 0 H1 MET A 1 -5.534 -13.074 -4.130 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.232 -12.569 -2.537 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.569 -11.954 -3.384 1.00 0.00 H new ATOM 0 HA MET A 1 -3.800 -11.138 -3.440 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.268 -12.036 -5.872 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.576 -10.431 -5.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.421 -11.682 -5.007 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.204 -13.079 -5.719 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.343 -10.611 -7.866 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.942 -10.104 -6.269 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.299 -11.748 -6.498 1.00 0.00 H new ATOM 20 N GLY A 2 -4.692 -8.730 -4.013 1.00 0.00 N ATOM 21 CA GLY A 2 -5.244 -7.400 -3.836 1.00 0.00 C ATOM 22 C GLY A 2 -5.776 -6.815 -5.122 1.00 0.00 C ATOM 23 O GLY A 2 -5.295 -5.787 -5.601 1.00 0.00 O ATOM 0 H GLY A 2 -3.725 -8.753 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.047 -7.439 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.474 -6.742 -3.433 1.00 0.00 H new ATOM 27 N ASN A 3 -6.789 -7.468 -5.663 1.00 0.00 N ATOM 28 CA ASN A 3 -7.438 -7.029 -6.886 1.00 0.00 C ATOM 29 C ASN A 3 -8.077 -5.657 -6.697 1.00 0.00 C ATOM 30 O ASN A 3 -8.455 -5.003 -7.668 1.00 0.00 O ATOM 31 CB ASN A 3 -8.493 -8.043 -7.323 1.00 0.00 C ATOM 32 CG ASN A 3 -7.916 -9.135 -8.204 1.00 0.00 C ATOM 33 OD1 ASN A 3 -6.873 -9.797 -7.718 1.00 0.00 O flip ATOM 34 ND2 ASN A 3 -8.404 -9.380 -9.307 1.00 0.00 N flip ATOM 0 H ASN A 3 -7.186 -8.320 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.679 -6.953 -7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.947 -8.494 -6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.288 -7.527 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.206 -8.845 -9.640 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.006 -10.118 -9.888 1.00 0.00 H new ATOM 41 N PHE A 4 -8.229 -5.237 -5.439 1.00 0.00 N ATOM 42 CA PHE A 4 -8.860 -3.959 -5.133 1.00 0.00 C ATOM 43 C PHE A 4 -8.322 -2.845 -6.030 1.00 0.00 C ATOM 44 O PHE A 4 -9.049 -1.920 -6.387 1.00 0.00 O ATOM 45 CB PHE A 4 -8.641 -3.598 -3.657 1.00 0.00 C ATOM 46 CG PHE A 4 -7.421 -2.750 -3.407 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.153 -3.240 -3.674 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.547 -1.461 -2.911 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.033 -2.461 -3.451 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.430 -0.678 -2.686 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.172 -1.179 -2.956 1.00 0.00 C ATOM 0 H PHE A 4 -7.924 -5.764 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.929 -4.060 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.520 -3.069 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.557 -4.517 -3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.038 -4.242 -4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.529 -1.064 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.050 -2.855 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.541 0.324 -2.300 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.298 -0.569 -2.780 1.00 0.00 H new ATOM 61 N HIS A 5 -7.052 -2.946 -6.397 1.00 0.00 N ATOM 62 CA HIS A 5 -6.431 -1.950 -7.255 1.00 0.00 C ATOM 63 C HIS A 5 -7.120 -1.905 -8.617 1.00 0.00 C ATOM 64 O HIS A 5 -7.267 -0.839 -9.215 1.00 0.00 O ATOM 65 CB HIS A 5 -4.938 -2.254 -7.421 1.00 0.00 C ATOM 66 CG HIS A 5 -4.625 -3.186 -8.553 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.195 -2.749 -9.788 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.687 -4.537 -8.634 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.008 -3.789 -10.581 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.298 -4.885 -9.904 1.00 0.00 N ATOM 0 H HIS A 5 -6.434 -3.706 -6.114 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.541 -0.972 -6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.403 -1.317 -7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.561 -2.686 -6.494 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.045 -1.774 -10.049 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.986 -5.213 -7.847 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.675 -3.750 -11.608 1.00 0.00 H new ATOM 79 N GLU A 6 -7.534 -3.071 -9.103 1.00 0.00 N ATOM 80 CA GLU A 6 -8.201 -3.164 -10.396 1.00 0.00 C ATOM 81 C GLU A 6 -9.670 -2.760 -10.290 1.00 0.00 C ATOM 82 O GLU A 6 -10.282 -2.351 -11.277 1.00 0.00 O ATOM 83 CB GLU A 6 -8.077 -4.586 -10.954 1.00 0.00 C ATOM 84 CG GLU A 6 -8.975 -5.606 -10.267 1.00 0.00 C ATOM 85 CD GLU A 6 -9.853 -6.363 -11.245 1.00 0.00 C ATOM 86 OE1 GLU A 6 -10.361 -5.733 -12.197 1.00 0.00 O ATOM 87 OE2 GLU A 6 -10.033 -7.585 -11.059 1.00 0.00 O ATOM 0 H GLU A 6 -7.419 -3.963 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.712 -2.471 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.313 -4.569 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.041 -4.911 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.358 -6.315 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.605 -5.097 -9.538 1.00 0.00 H new ATOM 94 N SER A 7 -10.232 -2.880 -9.091 1.00 0.00 N ATOM 95 CA SER A 7 -11.629 -2.528 -8.865 1.00 0.00 C ATOM 96 C SER A 7 -11.756 -1.252 -8.035 1.00 0.00 C ATOM 97 O SER A 7 -12.823 -0.960 -7.495 1.00 0.00 O ATOM 98 CB SER A 7 -12.357 -3.678 -8.166 1.00 0.00 C ATOM 99 OG SER A 7 -12.004 -4.927 -8.734 1.00 0.00 O ATOM 0 H SER A 7 -9.742 -3.218 -8.263 1.00 0.00 H new ATOM 0 HA SER A 7 -12.088 -2.347 -9.837 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.111 -3.676 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.434 -3.531 -8.244 1.00 0.00 H new ATOM 0 HG SER A 7 -12.482 -5.645 -8.268 1.00 0.00 H new ATOM 105 N SER A 8 -10.667 -0.492 -7.936 1.00 0.00 N ATOM 106 CA SER A 8 -10.676 0.750 -7.171 1.00 0.00 C ATOM 107 C SER A 8 -10.141 1.908 -8.005 1.00 0.00 C ATOM 108 O SER A 8 -9.464 1.701 -9.012 1.00 0.00 O ATOM 109 CB SER A 8 -9.843 0.600 -5.896 1.00 0.00 C ATOM 110 OG SER A 8 -9.964 1.745 -5.070 1.00 0.00 O ATOM 0 H SER A 8 -9.773 -0.714 -8.374 1.00 0.00 H new ATOM 0 HA SER A 8 -11.709 0.967 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.168 -0.284 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.796 0.446 -6.158 1.00 0.00 H new ATOM 0 HG SER A 8 -10.336 1.484 -4.202 1.00 0.00 H new ATOM 116 N ASN A 9 -10.448 3.128 -7.577 1.00 0.00 N ATOM 117 CA ASN A 9 -9.998 4.321 -8.279 1.00 0.00 C ATOM 118 C ASN A 9 -9.271 5.262 -7.325 1.00 0.00 C ATOM 119 O ASN A 9 -9.434 5.179 -6.107 1.00 0.00 O ATOM 120 CB ASN A 9 -11.186 5.038 -8.925 1.00 0.00 C ATOM 121 CG ASN A 9 -10.816 6.396 -9.488 1.00 0.00 C ATOM 122 OD1 ASN A 9 -10.742 7.393 -8.616 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.599 6.546 -10.691 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.008 3.315 -6.745 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.303 4.017 -9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.589 4.416 -9.724 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.977 5.160 -8.185 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.668 5.750 -11.325 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.351 7.466 -11.054 1.00 0.00 H new ATOM 130 N ASN A 10 -8.468 6.155 -7.888 1.00 0.00 N ATOM 131 CA ASN A 10 -7.712 7.115 -7.092 1.00 0.00 C ATOM 132 C ASN A 10 -6.805 6.401 -6.094 1.00 0.00 C ATOM 133 O ASN A 10 -6.914 6.602 -4.884 1.00 0.00 O ATOM 134 CB ASN A 10 -8.665 8.056 -6.352 1.00 0.00 C ATOM 135 CG ASN A 10 -9.042 9.268 -7.181 1.00 0.00 C ATOM 136 OD1 ASN A 10 -8.629 9.400 -8.333 1.00 0.00 O ATOM 137 ND2 ASN A 10 -9.831 10.163 -6.597 1.00 0.00 N ATOM 0 H ASN A 10 -8.323 6.235 -8.894 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.087 7.699 -7.768 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.569 7.511 -6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.198 8.385 -5.424 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.117 10.999 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.150 10.014 -5.640 1.00 0.00 H new ATOM 144 N ILE A 11 -5.907 5.567 -6.609 1.00 0.00 N ATOM 145 CA ILE A 11 -4.978 4.826 -5.761 1.00 0.00 C ATOM 146 C ILE A 11 -3.663 5.585 -5.616 1.00 0.00 C ATOM 147 O ILE A 11 -2.953 5.808 -6.596 1.00 0.00 O ATOM 148 CB ILE A 11 -4.686 3.413 -6.317 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.845 2.916 -7.185 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.426 2.438 -5.177 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.170 2.874 -6.457 1.00 0.00 C ATOM 0 H ILE A 11 -5.802 5.387 -7.608 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.456 4.721 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.794 3.472 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.939 3.563 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.610 1.917 -7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.222 1.448 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.567 2.776 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.303 2.391 -4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.945 2.513 -7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.094 2.204 -5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.428 3.875 -6.112 1.00 0.00 H new ATOM 163 N TRP A 12 -3.347 5.985 -4.389 1.00 0.00 N ATOM 164 CA TRP A 12 -2.120 6.725 -4.119 1.00 0.00 C ATOM 165 C TRP A 12 -1.782 6.697 -2.631 1.00 0.00 C ATOM 166 O TRP A 12 -2.410 5.976 -1.856 1.00 0.00 O ATOM 167 CB TRP A 12 -2.261 8.172 -4.597 1.00 0.00 C ATOM 168 CG TRP A 12 -3.329 8.936 -3.873 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.673 8.695 -3.906 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.144 10.064 -3.010 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.334 9.603 -3.116 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.418 10.454 -2.555 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.025 10.782 -2.577 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.603 11.529 -1.689 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.210 11.849 -1.718 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.490 12.213 -1.282 1.00 0.00 C ATOM 0 H TRP A 12 -3.923 5.809 -3.566 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.307 6.246 -4.664 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.307 8.684 -4.468 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.483 8.175 -5.664 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.147 7.906 -4.471 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.343 9.638 -2.970 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.034 10.508 -2.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.589 11.812 -1.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.353 12.411 -1.377 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.601 13.051 -0.610 1.00 0.00 H new ATOM 187 N LEU A 13 -0.784 7.484 -2.239 1.00 0.00 N ATOM 188 CA LEU A 13 -0.363 7.544 -0.844 1.00 0.00 C ATOM 189 C LEU A 13 -0.173 8.988 -0.389 1.00 0.00 C ATOM 190 O LEU A 13 0.219 9.851 -1.174 1.00 0.00 O ATOM 191 CB LEU A 13 0.936 6.760 -0.649 1.00 0.00 C ATOM 192 CG LEU A 13 1.053 6.025 0.687 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.133 5.091 0.891 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.363 5.254 0.757 1.00 0.00 C ATOM 0 H LEU A 13 -0.253 8.088 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.148 7.094 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.029 6.033 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.776 7.449 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 13 1.046 6.764 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.031 4.577 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.057 5.670 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.161 4.357 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.430 4.737 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.400 4.525 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.199 5.947 0.660 1.00 0.00 H new ATOM 206 N GLU A 14 -0.450 9.240 0.887 1.00 0.00 N ATOM 207 CA GLU A 14 -0.309 10.576 1.453 1.00 0.00 C ATOM 208 C GLU A 14 0.724 10.579 2.577 1.00 0.00 C ATOM 209 O GLU A 14 0.570 9.878 3.578 1.00 0.00 O ATOM 210 CB GLU A 14 -1.659 11.077 1.974 1.00 0.00 C ATOM 211 CG GLU A 14 -1.570 12.371 2.768 1.00 0.00 C ATOM 212 CD GLU A 14 -2.913 12.810 3.319 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.925 12.667 2.602 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.952 13.297 4.469 1.00 0.00 O ATOM 0 H GLU A 14 -0.774 8.535 1.549 1.00 0.00 H new ATOM 0 HA GLU A 14 0.036 11.247 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.331 11.226 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.104 10.306 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.869 12.240 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.168 13.158 2.130 1.00 0.00 H new ATOM 221 N ASP A 15 1.777 11.369 2.401 1.00 0.00 N ATOM 222 CA ASP A 15 2.840 11.465 3.395 1.00 0.00 C ATOM 223 C ASP A 15 3.522 10.113 3.608 1.00 0.00 C ATOM 224 O ASP A 15 4.216 9.909 4.604 1.00 0.00 O ATOM 225 CB ASP A 15 2.282 11.987 4.722 1.00 0.00 C ATOM 226 CG ASP A 15 2.883 13.322 5.116 1.00 0.00 C ATOM 227 OD1 ASP A 15 4.018 13.613 4.685 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.217 14.077 5.856 1.00 0.00 O ATOM 0 H ASP A 15 1.918 11.954 1.577 1.00 0.00 H new ATOM 0 HA ASP A 15 3.586 12.167 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.200 12.088 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.478 11.257 5.508 1.00 0.00 H new ATOM 233 N GLY A 16 3.326 9.196 2.663 1.00 0.00 N ATOM 234 CA GLY A 16 3.936 7.883 2.764 1.00 0.00 C ATOM 235 C GLY A 16 3.491 7.111 3.992 1.00 0.00 C ATOM 236 O GLY A 16 4.321 6.671 4.787 1.00 0.00 O ATOM 0 H GLY A 16 2.756 9.340 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.692 7.306 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.020 7.994 2.785 1.00 0.00 H new ATOM 240 N HIS A 17 2.181 6.934 4.144 1.00 0.00 N ATOM 241 CA HIS A 17 1.641 6.196 5.282 1.00 0.00 C ATOM 242 C HIS A 17 0.121 6.059 5.193 1.00 0.00 C ATOM 243 O HIS A 17 -0.446 5.064 5.645 1.00 0.00 O ATOM 244 CB HIS A 17 2.042 6.866 6.601 1.00 0.00 C ATOM 245 CG HIS A 17 1.316 8.144 6.890 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.217 9.179 5.984 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.659 8.555 8.000 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.531 10.171 6.526 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.181 9.817 7.748 1.00 0.00 N ATOM 0 H HIS A 17 1.477 7.290 3.497 1.00 0.00 H new ATOM 0 HA HIS A 17 2.067 5.193 5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.863 6.168 7.419 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.113 7.067 6.582 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.611 9.179 5.043 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.534 7.994 8.914 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.297 11.111 6.049 1.00 0.00 H new ATOM 258 N ILE A 18 -0.536 7.057 4.607 1.00 0.00 N ATOM 259 CA ILE A 18 -1.988 7.031 4.464 1.00 0.00 C ATOM 260 C ILE A 18 -2.391 6.643 3.043 1.00 0.00 C ATOM 261 O ILE A 18 -1.886 7.200 2.068 1.00 0.00 O ATOM 262 CB ILE A 18 -2.614 8.396 4.822 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.351 8.726 6.293 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.111 8.400 4.531 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.173 7.901 7.261 1.00 0.00 C ATOM 0 H ILE A 18 -0.088 7.890 4.225 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.365 6.281 5.159 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.149 9.162 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.293 8.572 6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.560 9.782 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.530 9.372 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.276 8.206 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.599 7.625 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.931 8.192 8.283 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.233 8.072 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.947 6.844 7.121 1.00 0.00 H new ATOM 277 N LEU A 19 -3.305 5.684 2.938 1.00 0.00 N ATOM 278 CA LEU A 19 -3.780 5.216 1.641 1.00 0.00 C ATOM 279 C LEU A 19 -5.227 5.633 1.405 1.00 0.00 C ATOM 280 O LEU A 19 -6.043 5.634 2.327 1.00 0.00 O ATOM 281 CB LEU A 19 -3.657 3.693 1.553 1.00 0.00 C ATOM 282 CG LEU A 19 -4.203 3.071 0.266 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.418 1.820 -0.096 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.683 2.751 0.414 1.00 0.00 C ATOM 0 H LEU A 19 -3.732 5.215 3.737 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.161 5.673 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.606 3.423 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.180 3.252 2.402 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.088 3.794 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.820 1.391 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.370 2.079 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.501 1.092 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.054 2.309 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.823 2.047 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.234 3.667 0.625 1.00 0.00 H new ATOM 296 N HIS A 20 -5.539 5.979 0.162 1.00 0.00 N ATOM 297 CA HIS A 20 -6.889 6.391 -0.207 1.00 0.00 C ATOM 298 C HIS A 20 -7.282 5.777 -1.545 1.00 0.00 C ATOM 299 O HIS A 20 -6.504 5.798 -2.498 1.00 0.00 O ATOM 300 CB HIS A 20 -7.001 7.920 -0.281 1.00 0.00 C ATOM 301 CG HIS A 20 -5.827 8.648 0.298 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.562 8.586 -0.244 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.732 9.459 1.379 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.739 9.326 0.476 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.424 9.867 1.467 1.00 0.00 N ATOM 0 H HIS A 20 -4.873 5.983 -0.611 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.571 6.035 0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.119 8.215 -1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.904 8.233 0.243 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.302 8.051 -1.073 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.535 9.733 2.047 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.685 9.465 0.287 1.00 0.00 H new ATOM 314 N ALA A 21 -8.487 5.228 -1.609 1.00 0.00 N ATOM 315 CA ALA A 21 -8.971 4.605 -2.833 1.00 0.00 C ATOM 316 C ALA A 21 -10.486 4.436 -2.807 1.00 0.00 C ATOM 317 O ALA A 21 -11.095 4.364 -1.740 1.00 0.00 O ATOM 318 CB ALA A 21 -8.289 3.262 -3.040 1.00 0.00 C ATOM 0 H ALA A 21 -9.146 5.201 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.725 5.261 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.658 2.804 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.212 3.409 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.508 2.609 -2.195 1.00 0.00 H new ATOM 324 N GLU A 22 -11.087 4.375 -3.991 1.00 0.00 N ATOM 325 CA GLU A 22 -12.532 4.215 -4.109 1.00 0.00 C ATOM 326 C GLU A 22 -12.882 2.808 -4.580 1.00 0.00 C ATOM 327 O GLU A 22 -12.840 2.515 -5.775 1.00 0.00 O ATOM 328 CB GLU A 22 -13.106 5.247 -5.085 1.00 0.00 C ATOM 329 CG GLU A 22 -12.356 6.570 -5.092 1.00 0.00 C ATOM 330 CD GLU A 22 -13.210 7.722 -5.586 1.00 0.00 C ATOM 331 OE1 GLU A 22 -14.421 7.735 -5.284 1.00 0.00 O ATOM 332 OE2 GLU A 22 -12.666 8.611 -6.275 1.00 0.00 O ATOM 0 H GLU A 22 -10.595 4.434 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.972 4.374 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.093 4.828 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.149 5.433 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.004 6.789 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.473 6.480 -5.725 1.00 0.00 H new ATOM 339 N CYS A 23 -13.227 1.940 -3.635 1.00 0.00 N ATOM 340 CA CYS A 23 -13.583 0.563 -3.957 1.00 0.00 C ATOM 341 C CYS A 23 -15.095 0.368 -3.923 1.00 0.00 C ATOM 342 O CYS A 23 -15.754 0.720 -2.945 1.00 0.00 O ATOM 343 CB CYS A 23 -12.909 -0.402 -2.980 1.00 0.00 C ATOM 344 SG CYS A 23 -11.165 -0.039 -2.666 1.00 0.00 S ATOM 0 H CYS A 23 -13.268 2.165 -2.641 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.232 0.351 -4.967 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.449 -0.380 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.993 -1.416 -3.372 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.054 1.155 -2.163 1.00 0.00 H new ATOM 350 N GLY A 24 -15.636 -0.195 -4.998 1.00 0.00 N ATOM 351 CA GLY A 24 -17.066 -0.428 -5.071 1.00 0.00 C ATOM 352 C GLY A 24 -17.500 -1.633 -4.260 1.00 0.00 C ATOM 353 O GLY A 24 -16.669 -2.325 -3.671 1.00 0.00 O ATOM 0 H GLY A 24 -15.110 -0.494 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.594 0.456 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.355 -0.572 -6.112 1.00 0.00 H new ATOM 357 N ASN A 25 -18.804 -1.883 -4.228 1.00 0.00 N ATOM 358 CA ASN A 25 -19.349 -3.014 -3.481 1.00 0.00 C ATOM 359 C ASN A 25 -19.971 -4.042 -4.422 1.00 0.00 C ATOM 360 O ASN A 25 -20.018 -5.232 -4.113 1.00 0.00 O ATOM 361 CB ASN A 25 -20.391 -2.544 -2.455 1.00 0.00 C ATOM 362 CG ASN A 25 -20.803 -1.096 -2.646 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.525 -0.242 -1.804 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.470 -0.813 -3.758 1.00 0.00 N ATOM 0 H ASN A 25 -19.504 -1.319 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.523 -3.485 -2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.274 -3.179 -2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.987 -2.671 -1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.773 0.143 -3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.679 -1.552 -4.429 1.00 0.00 H new ATOM 371 N GLY A 26 -20.449 -3.575 -5.572 1.00 0.00 N ATOM 372 CA GLY A 26 -21.061 -4.469 -6.538 1.00 0.00 C ATOM 373 C GLY A 26 -22.365 -3.923 -7.085 1.00 0.00 C ATOM 374 O GLY A 26 -22.750 -4.230 -8.213 1.00 0.00 O ATOM 0 H GLY A 26 -20.423 -2.594 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -20.368 -4.639 -7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -21.243 -5.436 -6.069 1.00 0.00 H new ATOM 378 N GLU A 27 -23.045 -3.109 -6.284 1.00 0.00 N ATOM 379 CA GLU A 27 -24.312 -2.517 -6.693 1.00 0.00 C ATOM 380 C GLU A 27 -24.115 -1.565 -7.869 1.00 0.00 C ATOM 381 O GLU A 27 -25.015 -1.379 -8.688 1.00 0.00 O ATOM 382 CB GLU A 27 -24.953 -1.773 -5.520 1.00 0.00 C ATOM 383 CG GLU A 27 -25.146 -2.637 -4.285 1.00 0.00 C ATOM 384 CD GLU A 27 -26.069 -1.998 -3.266 1.00 0.00 C ATOM 385 OE1 GLU A 27 -27.204 -1.635 -3.638 1.00 0.00 O ATOM 386 OE2 GLU A 27 -25.656 -1.862 -2.095 1.00 0.00 O ATOM 0 H GLU A 27 -22.739 -2.845 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 27 -24.975 -3.322 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -24.331 -0.916 -5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -25.920 -1.381 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -25.552 -3.604 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -24.177 -2.827 -3.824 1.00 0.00 H new ATOM 393 N GLY A 28 -22.931 -0.964 -7.947 1.00 0.00 N ATOM 394 CA GLY A 28 -22.638 -0.040 -9.028 1.00 0.00 C ATOM 395 C GLY A 28 -22.100 1.293 -8.536 1.00 0.00 C ATOM 396 O GLY A 28 -21.766 2.165 -9.339 1.00 0.00 O ATOM 0 H GLY A 28 -22.170 -1.100 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.910 -0.494 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.544 0.132 -9.609 1.00 0.00 H new ATOM 400 N ASP A 29 -22.015 1.456 -7.218 1.00 0.00 N ATOM 401 CA ASP A 29 -21.514 2.695 -6.634 1.00 0.00 C ATOM 402 C ASP A 29 -20.127 2.494 -6.033 1.00 0.00 C ATOM 403 O ASP A 29 -19.697 1.364 -5.802 1.00 0.00 O ATOM 404 CB ASP A 29 -22.479 3.204 -5.561 1.00 0.00 C ATOM 405 CG ASP A 29 -23.502 4.174 -6.116 1.00 0.00 C ATOM 406 OD1 ASP A 29 -24.141 3.843 -7.137 1.00 0.00 O ATOM 407 OD2 ASP A 29 -23.664 5.266 -5.531 1.00 0.00 O ATOM 0 H ASP A 29 -22.286 0.747 -6.537 1.00 0.00 H new ATOM 0 HA ASP A 29 -21.440 3.437 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -22.994 2.357 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -21.912 3.693 -4.769 1.00 0.00 H new ATOM 412 N TYR A 30 -19.431 3.599 -5.783 1.00 0.00 N ATOM 413 CA TYR A 30 -18.092 3.547 -5.209 1.00 0.00 C ATOM 414 C TYR A 30 -18.122 3.903 -3.726 1.00 0.00 C ATOM 415 O TYR A 30 -19.051 4.559 -3.255 1.00 0.00 O ATOM 416 CB TYR A 30 -17.156 4.499 -5.959 1.00 0.00 C ATOM 417 CG TYR A 30 -16.400 3.845 -7.097 1.00 0.00 C ATOM 418 CD1 TYR A 30 -16.910 2.728 -7.750 1.00 0.00 C ATOM 419 CD2 TYR A 30 -15.176 4.347 -7.518 1.00 0.00 C ATOM 420 CE1 TYR A 30 -16.220 2.131 -8.787 1.00 0.00 C ATOM 421 CE2 TYR A 30 -14.480 3.756 -8.556 1.00 0.00 C ATOM 422 CZ TYR A 30 -15.006 2.649 -9.187 1.00 0.00 C ATOM 423 OH TYR A 30 -14.316 2.057 -10.220 1.00 0.00 O ATOM 0 H TYR A 30 -19.773 4.542 -5.969 1.00 0.00 H new ATOM 0 HA TYR A 30 -17.718 2.528 -5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.740 5.331 -6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.439 4.919 -5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -17.861 2.321 -7.441 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.760 5.214 -7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -16.629 1.263 -9.282 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.529 4.160 -8.871 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.481 2.545 -10.377 1.00 0.00 H new ATOM 433 N VAL A 31 -17.102 3.465 -2.995 1.00 0.00 N ATOM 434 CA VAL A 31 -17.017 3.736 -1.564 1.00 0.00 C ATOM 435 C VAL A 31 -15.620 4.204 -1.170 1.00 0.00 C ATOM 436 O VAL A 31 -14.646 3.465 -1.307 1.00 0.00 O ATOM 437 CB VAL A 31 -17.376 2.490 -0.733 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.544 2.855 0.733 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.636 1.831 -1.274 1.00 0.00 C ATOM 0 H VAL A 31 -16.324 2.922 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.736 4.528 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.557 1.775 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.797 1.962 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.613 3.276 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.343 3.590 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.874 0.953 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.465 2.537 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.474 1.530 -2.309 1.00 0.00 H new ATOM 449 N GLU A 32 -15.531 5.435 -0.678 1.00 0.00 N ATOM 450 CA GLU A 32 -14.257 6.001 -0.261 1.00 0.00 C ATOM 451 C GLU A 32 -13.717 5.280 0.970 1.00 0.00 C ATOM 452 O GLU A 32 -14.376 5.224 2.008 1.00 0.00 O ATOM 453 CB GLU A 32 -14.417 7.491 0.039 1.00 0.00 C ATOM 454 CG GLU A 32 -13.166 8.301 -0.246 1.00 0.00 C ATOM 455 CD GLU A 32 -13.310 9.758 0.147 1.00 0.00 C ATOM 456 OE1 GLU A 32 -14.256 10.413 -0.340 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.478 10.245 0.941 1.00 0.00 O ATOM 0 H GLU A 32 -16.329 6.060 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.545 5.872 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.241 7.887 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.691 7.616 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.325 7.865 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.931 8.237 -1.308 1.00 0.00 H new ATOM 464 N SER A 33 -12.513 4.731 0.846 1.00 0.00 N ATOM 465 CA SER A 33 -11.884 4.015 1.949 1.00 0.00 C ATOM 466 C SER A 33 -10.399 4.351 2.036 1.00 0.00 C ATOM 467 O SER A 33 -9.763 4.663 1.029 1.00 0.00 O ATOM 468 CB SER A 33 -12.070 2.504 1.780 1.00 0.00 C ATOM 469 OG SER A 33 -12.954 2.214 0.711 1.00 0.00 O ATOM 0 H SER A 33 -11.954 4.768 -0.006 1.00 0.00 H new ATOM 0 HA SER A 33 -12.365 4.329 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.104 2.034 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.460 2.077 2.704 1.00 0.00 H new ATOM 0 HG SER A 33 -13.097 1.246 0.658 1.00 0.00 H new ATOM 475 N THR A 34 -9.853 4.286 3.245 1.00 0.00 N ATOM 476 CA THR A 34 -8.443 4.583 3.462 1.00 0.00 C ATOM 477 C THR A 34 -7.821 3.587 4.436 1.00 0.00 C ATOM 478 O THR A 34 -8.487 3.099 5.349 1.00 0.00 O ATOM 479 CB THR A 34 -8.278 6.008 3.993 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.945 6.161 5.233 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.814 7.064 3.050 1.00 0.00 C ATOM 0 H THR A 34 -10.365 4.030 4.089 1.00 0.00 H new ATOM 0 HA THR A 34 -7.926 4.497 2.506 1.00 0.00 H new ATOM 0 HB THR A 34 -7.203 6.153 4.102 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.827 7.078 5.557 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.666 8.051 3.487 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.285 7.005 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.878 6.897 2.884 1.00 0.00 H new ATOM 489 N LEU A 35 -6.542 3.288 4.233 1.00 0.00 N ATOM 490 CA LEU A 35 -5.834 2.347 5.093 1.00 0.00 C ATOM 491 C LEU A 35 -4.496 2.918 5.548 1.00 0.00 C ATOM 492 O LEU A 35 -3.778 3.545 4.769 1.00 0.00 O ATOM 493 CB LEU A 35 -5.609 1.024 4.360 1.00 0.00 C ATOM 494 CG LEU A 35 -5.121 -0.129 5.242 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.266 -1.078 5.563 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.981 -0.875 4.564 1.00 0.00 C ATOM 0 H LEU A 35 -5.976 3.683 3.482 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.451 2.170 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.543 0.727 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.882 1.186 3.564 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.749 0.288 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.900 -1.891 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.050 -0.536 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.669 -1.488 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.647 -1.691 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.326 -1.280 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.152 -0.190 4.388 1.00 0.00 H new ATOM 508 N ASP A 36 -4.164 2.690 6.815 1.00 0.00 N ATOM 509 CA ASP A 36 -2.910 3.171 7.378 1.00 0.00 C ATOM 510 C ASP A 36 -1.845 2.085 7.309 1.00 0.00 C ATOM 511 O ASP A 36 -2.033 0.984 7.814 1.00 0.00 O ATOM 512 CB ASP A 36 -3.113 3.615 8.827 1.00 0.00 C ATOM 513 CG ASP A 36 -1.868 4.246 9.419 1.00 0.00 C ATOM 514 OD1 ASP A 36 -0.862 3.527 9.590 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.900 5.460 9.711 1.00 0.00 O ATOM 0 H ASP A 36 -4.749 2.173 7.472 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.575 4.027 6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.936 4.329 8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.403 2.755 9.430 1.00 0.00 H new ATOM 520 N LEU A 37 -0.731 2.401 6.670 1.00 0.00 N ATOM 521 CA LEU A 37 0.368 1.454 6.536 1.00 0.00 C ATOM 522 C LEU A 37 1.314 1.556 7.718 1.00 0.00 C ATOM 523 O LEU A 37 1.972 0.584 8.090 1.00 0.00 O ATOM 524 CB LEU A 37 1.125 1.700 5.247 1.00 0.00 C ATOM 525 CG LEU A 37 0.261 2.190 4.096 1.00 0.00 C ATOM 526 CD1 LEU A 37 0.983 3.280 3.339 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.113 1.028 3.196 1.00 0.00 C ATOM 0 H LEU A 37 -0.562 3.308 6.234 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.053 0.449 6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.909 2.433 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.618 0.775 4.947 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.664 2.615 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.358 3.626 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.192 4.112 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.920 2.889 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.732 1.389 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.792 0.572 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.669 0.287 3.771 1.00 0.00 H new ATOM 539 N ASP A 38 1.373 2.745 8.310 1.00 0.00 N ATOM 540 CA ASP A 38 2.235 2.981 9.459 1.00 0.00 C ATOM 541 C ASP A 38 1.898 2.019 10.590 1.00 0.00 C ATOM 542 O ASP A 38 2.652 1.892 11.555 1.00 0.00 O ATOM 543 CB ASP A 38 2.095 4.426 9.940 1.00 0.00 C ATOM 544 CG ASP A 38 3.298 4.889 10.738 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.426 4.460 10.414 1.00 0.00 O ATOM 546 OD2 ASP A 38 3.113 5.680 11.687 1.00 0.00 O ATOM 0 H ASP A 38 0.834 3.558 8.012 1.00 0.00 H new ATOM 0 HA ASP A 38 3.267 2.809 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.960 5.081 9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.199 4.517 10.554 1.00 0.00 H new ATOM 551 N TYR A 39 0.761 1.337 10.467 1.00 0.00 N ATOM 552 CA TYR A 39 0.338 0.385 11.488 1.00 0.00 C ATOM 553 C TYR A 39 -0.006 -0.980 10.881 1.00 0.00 C ATOM 554 O TYR A 39 -0.395 -1.902 11.598 1.00 0.00 O ATOM 555 CB TYR A 39 -0.848 0.950 12.283 1.00 0.00 C ATOM 556 CG TYR A 39 -2.209 0.569 11.743 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.480 0.640 10.385 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.221 0.142 12.593 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.722 0.297 9.886 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.466 -0.204 12.103 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.711 -0.125 10.749 1.00 0.00 C ATOM 562 OH TYR A 39 -5.950 -0.468 10.256 1.00 0.00 O ATOM 0 H TYR A 39 0.122 1.425 9.677 1.00 0.00 H new ATOM 0 HA TYR A 39 1.173 0.231 12.171 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.773 0.607 13.315 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.771 2.037 12.302 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.707 0.969 9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.032 0.079 13.654 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.917 0.359 8.826 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.242 -0.534 12.777 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.933 -1.397 9.945 1.00 0.00 H new ATOM 572 N TYR A 40 0.145 -1.107 9.563 1.00 0.00 N ATOM 573 CA TYR A 40 -0.145 -2.363 8.879 1.00 0.00 C ATOM 574 C TYR A 40 1.106 -2.926 8.206 1.00 0.00 C ATOM 575 O TYR A 40 1.201 -4.129 7.964 1.00 0.00 O ATOM 576 CB TYR A 40 -1.251 -2.162 7.840 1.00 0.00 C ATOM 577 CG TYR A 40 -2.601 -2.687 8.279 1.00 0.00 C ATOM 578 CD1 TYR A 40 -3.009 -2.592 9.605 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.467 -3.277 7.367 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.242 -3.070 10.008 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.701 -3.757 7.763 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.083 -3.651 9.083 1.00 0.00 C ATOM 583 OH TYR A 40 -6.311 -4.129 9.481 1.00 0.00 O ATOM 0 H TYR A 40 0.466 -0.357 8.951 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.484 -3.080 9.627 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.339 -1.099 7.618 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.962 -2.658 6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.352 -2.137 10.332 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.171 -3.362 6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.545 -2.989 11.042 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.363 -4.213 7.042 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.781 -4.507 8.708 1.00 0.00 H new ATOM 593 N ILE A 41 2.063 -2.051 7.903 1.00 0.00 N ATOM 594 CA ILE A 41 3.303 -2.467 7.258 1.00 0.00 C ATOM 595 C ILE A 41 4.517 -2.032 8.075 1.00 0.00 C ATOM 596 O ILE A 41 4.534 -0.945 8.652 1.00 0.00 O ATOM 597 CB ILE A 41 3.414 -1.891 5.830 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.325 -2.484 4.937 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.792 -2.164 5.240 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.793 -1.512 3.909 1.00 0.00 C ATOM 0 H ILE A 41 2.002 -1.051 8.094 1.00 0.00 H new ATOM 0 HA ILE A 41 3.284 -3.555 7.197 1.00 0.00 H new ATOM 0 HB ILE A 41 3.276 -0.811 5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.723 -3.360 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.501 -2.827 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.846 -1.749 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.554 -1.699 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.963 -3.240 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.024 -2.000 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.365 -0.646 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.606 -1.188 3.260 1.00 0.00 H new ATOM 612 N GLY A 42 5.533 -2.889 8.117 1.00 0.00 N ATOM 613 CA GLY A 42 6.738 -2.577 8.862 1.00 0.00 C ATOM 614 C GLY A 42 7.994 -2.744 8.030 1.00 0.00 C ATOM 615 O GLY A 42 7.929 -3.145 6.868 1.00 0.00 O ATOM 0 H GLY A 42 5.542 -3.795 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.681 -1.551 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.797 -3.223 9.738 1.00 0.00 H new ATOM 619 N ASN A 43 9.140 -2.434 8.627 1.00 0.00 N ATOM 620 CA ASN A 43 10.418 -2.551 7.934 1.00 0.00 C ATOM 621 C ASN A 43 11.178 -3.789 8.402 1.00 0.00 C ATOM 622 O ASN A 43 11.631 -3.857 9.545 1.00 0.00 O ATOM 623 CB ASN A 43 11.265 -1.298 8.167 1.00 0.00 C ATOM 624 CG ASN A 43 12.591 -1.348 7.432 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.002 -2.397 6.937 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.268 -0.208 7.356 1.00 0.00 N ATOM 0 H ASN A 43 9.210 -2.100 9.588 1.00 0.00 H new ATOM 0 HA ASN A 43 10.218 -2.651 6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.706 -0.420 7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.449 -1.181 9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.166 -0.179 6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.890 0.639 7.781 1.00 0.00 H new ATOM 633 N ASP A 44 11.316 -4.764 7.510 1.00 0.00 N ATOM 634 CA ASP A 44 12.022 -5.999 7.829 1.00 0.00 C ATOM 635 C ASP A 44 13.326 -6.097 7.043 1.00 0.00 C ATOM 636 O ASP A 44 13.331 -6.491 5.877 1.00 0.00 O ATOM 637 CB ASP A 44 11.139 -7.210 7.524 1.00 0.00 C ATOM 638 CG ASP A 44 11.730 -8.503 8.050 1.00 0.00 C ATOM 639 OD1 ASP A 44 11.649 -8.738 9.274 1.00 0.00 O ATOM 640 OD2 ASP A 44 12.272 -9.281 7.237 1.00 0.00 O ATOM 0 H ASP A 44 10.948 -4.723 6.560 1.00 0.00 H new ATOM 0 HA ASP A 44 12.258 -5.989 8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.154 -7.058 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.997 -7.291 6.446 1.00 0.00 H new ATOM 645 N ASP A 45 14.430 -5.736 7.689 1.00 0.00 N ATOM 646 CA ASP A 45 15.739 -5.784 7.047 1.00 0.00 C ATOM 647 C ASP A 45 15.778 -4.868 5.828 1.00 0.00 C ATOM 648 O ASP A 45 16.259 -5.254 4.763 1.00 0.00 O ATOM 649 CB ASP A 45 16.072 -7.218 6.634 1.00 0.00 C ATOM 650 CG ASP A 45 17.478 -7.350 6.081 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.376 -6.630 6.566 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.680 -8.172 5.163 1.00 0.00 O ATOM 0 H ASP A 45 14.445 -5.408 8.655 1.00 0.00 H new ATOM 0 HA ASP A 45 16.484 -5.437 7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.960 -7.876 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.356 -7.552 5.883 1.00 0.00 H new ATOM 657 N GLY A 46 15.265 -3.654 5.992 1.00 0.00 N ATOM 658 CA GLY A 46 15.248 -2.703 4.896 1.00 0.00 C ATOM 659 C GLY A 46 14.269 -3.091 3.803 1.00 0.00 C ATOM 660 O GLY A 46 14.363 -2.603 2.677 1.00 0.00 O ATOM 0 H GLY A 46 14.861 -3.311 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.987 -1.717 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.249 -2.625 4.472 1.00 0.00 H new ATOM 664 N SER A 47 13.328 -3.971 4.134 1.00 0.00 N ATOM 665 CA SER A 47 12.331 -4.421 3.169 1.00 0.00 C ATOM 666 C SER A 47 10.921 -4.261 3.729 1.00 0.00 C ATOM 667 O SER A 47 10.728 -4.186 4.943 1.00 0.00 O ATOM 668 CB SER A 47 12.579 -5.883 2.793 1.00 0.00 C ATOM 669 OG SER A 47 12.342 -6.102 1.413 1.00 0.00 O ATOM 0 H SER A 47 13.235 -4.386 5.061 1.00 0.00 H new ATOM 0 HA SER A 47 12.421 -3.802 2.276 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.606 -6.155 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.929 -6.529 3.384 1.00 0.00 H new ATOM 0 HG SER A 47 12.509 -7.043 1.198 1.00 0.00 H new ATOM 675 N PHE A 48 9.937 -4.208 2.836 1.00 0.00 N ATOM 676 CA PHE A 48 8.544 -4.056 3.240 1.00 0.00 C ATOM 677 C PHE A 48 7.994 -5.364 3.801 1.00 0.00 C ATOM 678 O PHE A 48 8.305 -6.445 3.301 1.00 0.00 O ATOM 679 CB PHE A 48 7.694 -3.601 2.053 1.00 0.00 C ATOM 680 CG PHE A 48 7.825 -2.137 1.745 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.599 -1.186 2.728 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.173 -1.711 0.473 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.718 0.162 2.447 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.293 -0.364 0.187 1.00 0.00 C ATOM 685 CZ PHE A 48 8.065 0.573 1.175 1.00 0.00 C ATOM 0 H PHE A 48 10.079 -4.268 1.828 1.00 0.00 H new ATOM 0 HA PHE A 48 8.500 -3.298 4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.979 -4.176 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.648 -3.828 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.327 -1.502 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.352 -2.440 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.540 0.893 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.565 -0.045 -0.808 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.158 1.626 0.953 1.00 0.00 H new ATOM 695 N SER A 49 7.175 -5.258 4.843 1.00 0.00 N ATOM 696 CA SER A 49 6.582 -6.433 5.471 1.00 0.00 C ATOM 697 C SER A 49 5.078 -6.256 5.653 1.00 0.00 C ATOM 698 O SER A 49 4.627 -5.294 6.276 1.00 0.00 O ATOM 699 CB SER A 49 7.243 -6.700 6.825 1.00 0.00 C ATOM 700 OG SER A 49 7.430 -8.088 7.037 1.00 0.00 O ATOM 0 H SER A 49 6.907 -4.371 5.270 1.00 0.00 H new ATOM 0 HA SER A 49 6.751 -7.287 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.205 -6.189 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.625 -6.287 7.622 1.00 0.00 H new ATOM 0 HG SER A 49 7.855 -8.231 7.908 1.00 0.00 H new ATOM 706 N TRP A 50 4.305 -7.190 5.107 1.00 0.00 N ATOM 707 CA TRP A 50 2.852 -7.138 5.211 1.00 0.00 C ATOM 708 C TRP A 50 2.395 -7.522 6.615 1.00 0.00 C ATOM 709 O TRP A 50 2.673 -8.624 7.088 1.00 0.00 O ATOM 710 CB TRP A 50 2.213 -8.072 4.182 1.00 0.00 C ATOM 711 CG TRP A 50 2.056 -7.449 2.828 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.601 -7.890 1.657 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.304 -6.274 2.505 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.234 -7.060 0.625 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.438 -6.061 1.120 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.530 -5.380 3.252 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.827 -4.993 0.468 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.076 -4.321 2.603 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.075 -4.135 1.223 1.00 0.00 C ATOM 0 H TRP A 50 4.662 -7.992 4.588 1.00 0.00 H new ATOM 0 HA TRP A 50 2.534 -6.115 5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.822 -8.971 4.091 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.234 -8.385 4.545 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.229 -8.763 1.556 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.510 -7.170 -0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.408 -5.515 4.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.943 -4.847 -0.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.676 -3.625 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.412 -3.298 0.745 1.00 0.00 H new ATOM 730 N GLY A 51 1.693 -6.608 7.276 1.00 0.00 N ATOM 731 CA GLY A 51 1.210 -6.872 8.619 1.00 0.00 C ATOM 732 C GLY A 51 2.097 -6.269 9.692 1.00 0.00 C ATOM 733 O GLY A 51 1.955 -6.587 10.873 1.00 0.00 O ATOM 0 H GLY A 51 1.450 -5.689 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.201 -6.473 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.144 -7.949 8.771 1.00 0.00 H new ATOM 737 N GLY A 52 3.013 -5.393 9.286 1.00 0.00 N ATOM 738 CA GLY A 52 3.905 -4.759 10.237 1.00 0.00 C ATOM 739 C GLY A 52 3.419 -3.386 10.656 1.00 0.00 C ATOM 740 O GLY A 52 2.215 -3.138 10.710 1.00 0.00 O ATOM 0 H GLY A 52 3.152 -5.112 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.002 -5.392 11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.898 -4.672 9.797 1.00 0.00 H new ATOM 744 N GLU A 53 4.356 -2.492 10.953 1.00 0.00 N ATOM 745 CA GLU A 53 4.013 -1.137 11.368 1.00 0.00 C ATOM 746 C GLU A 53 5.268 -0.308 11.618 1.00 0.00 C ATOM 747 O GLU A 53 6.344 -0.851 11.872 1.00 0.00 O ATOM 748 CB GLU A 53 3.151 -1.172 12.631 1.00 0.00 C ATOM 749 CG GLU A 53 3.706 -2.073 13.722 1.00 0.00 C ATOM 750 CD GLU A 53 3.213 -1.686 15.103 1.00 0.00 C ATOM 751 OE1 GLU A 53 2.788 -0.525 15.277 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.254 -2.544 16.010 1.00 0.00 O ATOM 0 H GLU A 53 5.358 -2.681 10.914 1.00 0.00 H new ATOM 0 HA GLU A 53 3.447 -0.670 10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.054 -0.159 13.022 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.149 -1.510 12.367 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.423 -3.105 13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.795 -2.031 13.704 1.00 0.00 H new ATOM 759 N ASN A 54 5.123 1.011 11.543 1.00 0.00 N ATOM 760 CA ASN A 54 6.242 1.921 11.760 1.00 0.00 C ATOM 761 C ASN A 54 7.294 1.765 10.667 1.00 0.00 C ATOM 762 O ASN A 54 8.477 2.021 10.890 1.00 0.00 O ATOM 763 CB ASN A 54 6.874 1.671 13.131 1.00 0.00 C ATOM 764 CG ASN A 54 5.849 1.662 14.248 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.395 0.472 14.625 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.470 2.712 14.767 1.00 0.00 N flip ATOM 0 H ASN A 54 4.239 1.475 11.333 1.00 0.00 H new ATOM 0 HA ASN A 54 5.857 2.940 11.725 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.400 0.716 13.117 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.618 2.442 13.331 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.846 3.604 14.446 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.780 2.690 15.518 1.00 0.00 H new ATOM 773 N PHE A 55 6.857 1.346 9.483 1.00 0.00 N ATOM 774 CA PHE A 55 7.765 1.161 8.357 1.00 0.00 C ATOM 775 C PHE A 55 8.447 2.476 7.990 1.00 0.00 C ATOM 776 O PHE A 55 9.648 2.512 7.724 1.00 0.00 O ATOM 777 CB PHE A 55 7.005 0.601 7.150 1.00 0.00 C ATOM 778 CG PHE A 55 6.200 1.630 6.405 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.954 2.023 6.866 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.693 2.203 5.244 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.214 2.969 6.181 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.958 3.149 4.555 1.00 0.00 C ATOM 783 CZ PHE A 55 4.717 3.532 5.024 1.00 0.00 C ATOM 0 H PHE A 55 5.881 1.129 9.279 1.00 0.00 H new ATOM 0 HA PHE A 55 8.535 0.447 8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.719 0.146 6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.338 -0.192 7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.557 1.586 7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.663 1.907 4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.244 3.267 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.354 3.588 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.140 4.271 4.487 1.00 0.00 H new ATOM 793 N SER A 56 7.669 3.554 7.980 1.00 0.00 N ATOM 794 CA SER A 56 8.192 4.874 7.648 1.00 0.00 C ATOM 795 C SER A 56 9.176 5.356 8.710 1.00 0.00 C ATOM 796 O SER A 56 10.029 6.201 8.439 1.00 0.00 O ATOM 797 CB SER A 56 7.046 5.877 7.504 1.00 0.00 C ATOM 798 OG SER A 56 7.539 7.194 7.327 1.00 0.00 O ATOM 0 H SER A 56 6.673 3.539 8.198 1.00 0.00 H new ATOM 0 HA SER A 56 8.722 4.798 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.422 5.602 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.412 5.839 8.390 1.00 0.00 H new ATOM 0 HG SER A 56 6.787 7.815 7.236 1.00 0.00 H new ATOM 804 N GLY A 57 9.053 4.815 9.920 1.00 0.00 N ATOM 805 CA GLY A 57 9.940 5.204 11.003 1.00 0.00 C ATOM 806 C GLY A 57 11.404 5.149 10.607 1.00 0.00 C ATOM 807 O GLY A 57 12.232 5.871 11.162 1.00 0.00 O ATOM 0 H GLY A 57 8.355 4.114 10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.692 6.215 11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.774 4.548 11.857 1.00 0.00 H new ATOM 811 N SER A 58 11.722 4.291 9.643 1.00 0.00 N ATOM 812 CA SER A 58 13.094 4.146 9.171 1.00 0.00 C ATOM 813 C SER A 58 13.162 4.262 7.651 1.00 0.00 C ATOM 814 O SER A 58 14.069 3.721 7.018 1.00 0.00 O ATOM 815 CB SER A 58 13.672 2.802 9.619 1.00 0.00 C ATOM 816 OG SER A 58 12.912 2.246 10.679 1.00 0.00 O ATOM 0 H SER A 58 11.048 3.686 9.174 1.00 0.00 H new ATOM 0 HA SER A 58 13.687 4.950 9.605 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.687 2.110 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.705 2.936 9.940 1.00 0.00 H new ATOM 0 HG SER A 58 13.301 1.387 10.945 1.00 0.00 H new ATOM 822 N ALA A 59 12.199 4.972 7.071 1.00 0.00 N ATOM 823 CA ALA A 59 12.152 5.160 5.626 1.00 0.00 C ATOM 824 C ALA A 59 12.125 6.643 5.270 1.00 0.00 C ATOM 825 O ALA A 59 11.786 7.485 6.102 1.00 0.00 O ATOM 826 CB ALA A 59 10.940 4.448 5.041 1.00 0.00 C ATOM 0 H ALA A 59 11.441 5.426 7.580 1.00 0.00 H new ATOM 0 HA ALA A 59 13.054 4.726 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.917 4.596 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.004 3.382 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.031 4.855 5.483 1.00 0.00 H new ATOM 832 N SER A 60 12.484 6.956 4.031 1.00 0.00 N ATOM 833 CA SER A 60 12.501 8.339 3.568 1.00 0.00 C ATOM 834 C SER A 60 11.851 8.462 2.194 1.00 0.00 C ATOM 835 O SER A 60 11.866 7.519 1.403 1.00 0.00 O ATOM 836 CB SER A 60 13.938 8.863 3.513 1.00 0.00 C ATOM 837 OG SER A 60 14.409 9.195 4.807 1.00 0.00 O ATOM 0 H SER A 60 12.767 6.272 3.329 1.00 0.00 H new ATOM 0 HA SER A 60 11.929 8.939 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.587 8.108 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.984 9.741 2.869 1.00 0.00 H new ATOM 0 HG SER A 60 15.330 9.526 4.745 1.00 0.00 H new ATOM 843 N ASN A 61 11.281 9.636 1.920 1.00 0.00 N ATOM 844 CA ASN A 61 10.617 9.908 0.642 1.00 0.00 C ATOM 845 C ASN A 61 9.820 8.699 0.153 1.00 0.00 C ATOM 846 O ASN A 61 10.130 8.117 -0.888 1.00 0.00 O ATOM 847 CB ASN A 61 11.642 10.327 -0.418 1.00 0.00 C ATOM 848 CG ASN A 61 12.909 9.496 -0.368 1.00 0.00 C ATOM 849 OD1 ASN A 61 13.948 9.955 0.107 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.830 8.266 -0.862 1.00 0.00 N ATOM 0 H ASN A 61 11.266 10.421 2.571 1.00 0.00 H new ATOM 0 HA ASN A 61 9.917 10.728 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.193 10.238 -1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.896 11.378 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.651 7.661 -0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.948 7.926 -1.246 1.00 0.00 H new ATOM 857 N ILE A 62 8.793 8.328 0.910 1.00 0.00 N ATOM 858 CA ILE A 62 7.952 7.191 0.553 1.00 0.00 C ATOM 859 C ILE A 62 6.786 7.633 -0.326 1.00 0.00 C ATOM 860 O ILE A 62 6.006 8.506 0.055 1.00 0.00 O ATOM 861 CB ILE A 62 7.394 6.478 1.804 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.425 6.482 2.937 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.982 5.054 1.461 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.947 5.783 4.190 1.00 0.00 C ATOM 0 H ILE A 62 8.523 8.798 1.774 1.00 0.00 H new ATOM 0 HA ILE A 62 8.583 6.493 0.003 1.00 0.00 H new ATOM 0 HB ILE A 62 6.513 7.022 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.339 6.001 2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.681 7.513 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.591 4.564 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.212 5.074 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.848 4.503 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.727 5.824 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.050 6.278 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.718 4.742 3.961 1.00 0.00 H new ATOM 876 N THR A 63 6.673 7.028 -1.504 1.00 0.00 N ATOM 877 CA THR A 63 5.601 7.366 -2.435 1.00 0.00 C ATOM 878 C THR A 63 5.114 6.129 -3.185 1.00 0.00 C ATOM 879 O THR A 63 5.818 5.123 -3.269 1.00 0.00 O ATOM 880 CB THR A 63 6.078 8.425 -3.431 1.00 0.00 C ATOM 881 OG1 THR A 63 7.477 8.331 -3.632 1.00 0.00 O ATOM 882 CG2 THR A 63 5.771 9.840 -2.991 1.00 0.00 C ATOM 0 H THR A 63 7.309 6.303 -1.837 1.00 0.00 H new ATOM 0 HA THR A 63 4.768 7.767 -1.857 1.00 0.00 H new ATOM 0 HB THR A 63 5.533 8.222 -4.353 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.762 9.015 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.135 10.542 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.694 9.959 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.262 10.040 -2.039 1.00 0.00 H new ATOM 890 N LEU A 64 3.904 6.214 -3.730 1.00 0.00 N ATOM 891 CA LEU A 64 3.318 5.105 -4.474 1.00 0.00 C ATOM 892 C LEU A 64 3.294 5.404 -5.970 1.00 0.00 C ATOM 893 O LEU A 64 2.807 6.451 -6.396 1.00 0.00 O ATOM 894 CB LEU A 64 1.898 4.825 -3.977 1.00 0.00 C ATOM 895 CG LEU A 64 1.266 3.540 -4.512 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.615 2.362 -3.615 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.243 3.697 -4.628 1.00 0.00 C ATOM 0 H LEU A 64 3.310 7.041 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 64 3.936 4.223 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.913 4.778 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.261 5.666 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 64 1.668 3.345 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.157 1.455 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.697 2.237 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.241 2.548 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.677 2.773 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.663 3.916 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.472 4.515 -5.311 1.00 0.00 H new ATOM 909 N ASP A 65 3.824 4.478 -6.762 1.00 0.00 N ATOM 910 CA ASP A 65 3.865 4.643 -8.211 1.00 0.00 C ATOM 911 C ASP A 65 3.286 3.420 -8.918 1.00 0.00 C ATOM 912 O ASP A 65 3.306 2.313 -8.381 1.00 0.00 O ATOM 913 CB ASP A 65 5.301 4.883 -8.678 1.00 0.00 C ATOM 914 CG ASP A 65 5.662 6.356 -8.704 1.00 0.00 C ATOM 915 OD1 ASP A 65 4.878 7.149 -9.268 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.726 6.716 -8.160 1.00 0.00 O ATOM 0 H ASP A 65 4.231 3.605 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 65 3.256 5.510 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.988 4.355 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.431 4.462 -9.675 1.00 0.00 H new ATOM 921 N ILE A 66 2.775 3.630 -10.128 1.00 0.00 N ATOM 922 CA ILE A 66 2.195 2.549 -10.912 1.00 0.00 C ATOM 923 C ILE A 66 3.280 1.808 -11.691 1.00 0.00 C ATOM 924 O ILE A 66 4.246 2.412 -12.157 1.00 0.00 O ATOM 925 CB ILE A 66 1.122 3.088 -11.887 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.203 3.303 -11.151 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.928 2.147 -13.070 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.908 2.016 -10.776 1.00 0.00 C ATOM 0 H ILE A 66 2.752 4.541 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 66 1.719 1.853 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 66 1.469 4.046 -12.275 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.016 3.881 -10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.865 3.899 -11.779 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.168 2.553 -13.737 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.868 2.044 -13.611 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.609 1.169 -12.709 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.839 2.248 -10.258 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.128 1.445 -11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.266 1.427 -10.121 1.00 0.00 H new ATOM 940 N GLU A 67 3.111 0.497 -11.829 1.00 0.00 N ATOM 941 CA GLU A 67 4.075 -0.325 -12.551 1.00 0.00 C ATOM 942 C GLU A 67 3.388 -1.515 -13.212 1.00 0.00 C ATOM 943 O GLU A 67 2.572 -2.197 -12.591 1.00 0.00 O ATOM 944 CB GLU A 67 5.172 -0.814 -11.604 1.00 0.00 C ATOM 945 CG GLU A 67 6.558 -0.820 -12.230 1.00 0.00 C ATOM 946 CD GLU A 67 7.213 -2.187 -12.188 1.00 0.00 C ATOM 947 OE1 GLU A 67 7.053 -2.891 -11.169 1.00 0.00 O ATOM 948 OE2 GLU A 67 7.885 -2.554 -13.175 1.00 0.00 O ATOM 0 H GLU A 67 2.316 -0.018 -11.451 1.00 0.00 H new ATOM 0 HA GLU A 67 4.526 0.289 -13.330 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.185 -0.179 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.929 -1.823 -11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.486 -0.488 -13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.191 -0.102 -11.708 1.00 0.00 H new ATOM 955 N GLY A 68 3.723 -1.759 -14.474 1.00 0.00 N ATOM 956 CA GLY A 68 3.130 -2.867 -15.198 1.00 0.00 C ATOM 957 C GLY A 68 1.968 -2.435 -16.071 1.00 0.00 C ATOM 958 O GLY A 68 1.393 -1.366 -15.866 1.00 0.00 O ATOM 0 H GLY A 68 4.395 -1.209 -15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.891 -3.340 -15.819 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.787 -3.619 -14.487 1.00 0.00 H new ATOM 962 N ASP A 69 1.622 -3.268 -17.046 1.00 0.00 N ATOM 963 CA ASP A 69 0.521 -2.968 -17.955 1.00 0.00 C ATOM 964 C ASP A 69 -0.830 -3.104 -17.254 1.00 0.00 C ATOM 965 O ASP A 69 -1.852 -2.650 -17.769 1.00 0.00 O ATOM 966 CB ASP A 69 0.574 -3.896 -19.171 1.00 0.00 C ATOM 967 CG ASP A 69 1.148 -3.212 -20.396 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.746 -2.063 -20.677 1.00 0.00 O ATOM 969 OD2 ASP A 69 1.999 -3.825 -21.075 1.00 0.00 O ATOM 0 H ASP A 69 2.088 -4.157 -17.228 1.00 0.00 H new ATOM 0 HA ASP A 69 0.630 -1.935 -18.285 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.178 -4.771 -18.931 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.431 -4.254 -19.395 1.00 0.00 H new ATOM 974 N ASP A 70 -0.833 -3.732 -16.081 1.00 0.00 N ATOM 975 CA ASP A 70 -2.063 -3.924 -15.321 1.00 0.00 C ATOM 976 C ASP A 70 -2.315 -2.759 -14.364 1.00 0.00 C ATOM 977 O ASP A 70 -3.383 -2.665 -13.760 1.00 0.00 O ATOM 978 CB ASP A 70 -2.001 -5.237 -14.538 1.00 0.00 C ATOM 979 CG ASP A 70 -2.651 -6.386 -15.283 1.00 0.00 C ATOM 980 OD1 ASP A 70 -3.881 -6.338 -15.492 1.00 0.00 O ATOM 981 OD2 ASP A 70 -1.929 -7.333 -15.659 1.00 0.00 O ATOM 0 H ASP A 70 0.002 -4.116 -15.637 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.890 -3.965 -16.030 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.960 -5.485 -14.331 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.495 -5.106 -13.575 1.00 0.00 H new ATOM 986 N ASN A 71 -1.328 -1.876 -14.226 1.00 0.00 N ATOM 987 CA ASN A 71 -1.451 -0.725 -13.338 1.00 0.00 C ATOM 988 C ASN A 71 -1.548 -1.175 -11.890 1.00 0.00 C ATOM 989 O ASN A 71 -2.624 -1.158 -11.291 1.00 0.00 O ATOM 990 CB ASN A 71 -2.674 0.116 -13.710 1.00 0.00 C ATOM 991 CG ASN A 71 -2.670 0.528 -15.169 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.001 1.487 -15.553 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.421 -0.197 -15.990 1.00 0.00 N ATOM 0 H ASN A 71 -0.436 -1.936 -14.717 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.558 -0.111 -13.454 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.580 -0.452 -13.498 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.703 1.008 -13.084 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.459 0.033 -16.983 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.959 -0.984 -15.628 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.415 -1.581 -11.334 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.366 -2.042 -9.956 1.00 0.00 C ATOM 1002 C ILE A 72 0.306 -1.009 -9.053 1.00 0.00 C ATOM 1003 O ILE A 72 1.491 -0.716 -9.213 1.00 0.00 O ATOM 1004 CB ILE A 72 0.389 -3.381 -9.835 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.212 -4.223 -11.101 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.100 -4.144 -8.617 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.220 -4.646 -11.350 1.00 0.00 C ATOM 0 H ILE A 72 0.483 -1.600 -11.818 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.398 -2.186 -9.635 1.00 0.00 H new ATOM 0 HB ILE A 72 1.452 -3.170 -9.717 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.569 -3.654 -11.959 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.837 -5.113 -11.026 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.438 -5.089 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.077 -3.550 -7.720 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.167 -4.342 -8.716 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.271 -5.239 -12.263 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.574 -5.243 -10.510 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.847 -3.761 -11.457 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.440 -0.439 -8.087 1.00 0.00 N ATOM 1020 CA PRO A 73 0.102 0.564 -7.163 1.00 0.00 C ATOM 1021 C PRO A 73 1.248 0.012 -6.323 1.00 0.00 C ATOM 1022 O PRO A 73 1.028 -0.725 -5.362 1.00 0.00 O ATOM 1023 CB PRO A 73 -1.092 0.924 -6.269 1.00 0.00 C ATOM 1024 CG PRO A 73 -2.046 -0.211 -6.419 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.859 -0.724 -7.817 1.00 0.00 C ATOM 0 HA PRO A 73 0.519 1.419 -7.695 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.784 1.046 -5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.547 1.865 -6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.842 -0.992 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.073 0.118 -6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.077 -1.789 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.514 -0.216 -8.524 1.00 0.00 H new ATOM 1033 N VAL A 74 2.473 0.370 -6.695 1.00 0.00 N ATOM 1034 CA VAL A 74 3.654 -0.092 -5.977 1.00 0.00 C ATOM 1035 C VAL A 74 4.250 1.015 -5.114 1.00 0.00 C ATOM 1036 O VAL A 74 4.508 2.119 -5.594 1.00 0.00 O ATOM 1037 CB VAL A 74 4.735 -0.609 -6.947 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.885 -1.244 -6.178 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.136 -1.596 -7.939 1.00 0.00 C ATOM 0 H VAL A 74 2.673 0.978 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 74 3.328 -0.910 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 74 5.129 0.239 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.638 -1.603 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.331 -0.504 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.510 -2.081 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.914 -1.950 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.712 -2.443 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.352 -1.103 -8.514 1.00 0.00 H new ATOM 1049 N LEU A 75 4.469 0.709 -3.840 1.00 0.00 N ATOM 1050 CA LEU A 75 5.040 1.673 -2.907 1.00 0.00 C ATOM 1051 C LEU A 75 6.549 1.487 -2.800 1.00 0.00 C ATOM 1052 O LEU A 75 7.025 0.444 -2.354 1.00 0.00 O ATOM 1053 CB LEU A 75 4.393 1.524 -1.528 1.00 0.00 C ATOM 1054 CG LEU A 75 4.957 2.441 -0.441 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.892 3.895 -0.881 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.202 2.241 0.865 1.00 0.00 C ATOM 0 H LEU A 75 4.259 -0.201 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 75 4.840 2.676 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.324 1.715 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.504 0.490 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 75 6.003 2.181 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.298 4.532 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.477 4.026 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.855 4.171 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.615 2.900 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.148 2.475 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.302 1.205 1.188 1.00 0.00 H new ATOM 1068 N ARG A 76 7.296 2.503 -3.218 1.00 0.00 N ATOM 1069 CA ARG A 76 8.753 2.449 -3.177 1.00 0.00 C ATOM 1070 C ARG A 76 9.315 3.481 -2.205 1.00 0.00 C ATOM 1071 O ARG A 76 8.876 4.631 -2.182 1.00 0.00 O ATOM 1072 CB ARG A 76 9.330 2.684 -4.574 1.00 0.00 C ATOM 1073 CG ARG A 76 9.392 1.427 -5.426 1.00 0.00 C ATOM 1074 CD ARG A 76 9.255 1.745 -6.907 1.00 0.00 C ATOM 1075 NE ARG A 76 8.237 0.916 -7.550 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.442 0.195 -8.653 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.626 0.199 -9.255 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.455 -0.532 -9.158 1.00 0.00 N ATOM 0 H ARG A 76 6.917 3.374 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 76 9.042 1.457 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.725 3.431 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.334 3.098 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.337 0.914 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.598 0.744 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.998 2.797 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.214 1.591 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 76 7.309 0.887 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.390 0.757 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.771 -0.356 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.542 -0.539 -8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.609 -1.085 -10.002 1.00 0.00 H new ATOM 1092 N ALA A 77 10.289 3.062 -1.403 1.00 0.00 N ATOM 1093 CA ALA A 77 10.913 3.949 -0.430 1.00 0.00 C ATOM 1094 C ALA A 77 12.206 3.348 0.113 1.00 0.00 C ATOM 1095 O ALA A 77 12.341 2.129 0.214 1.00 0.00 O ATOM 1096 CB ALA A 77 9.947 4.248 0.705 1.00 0.00 C ATOM 0 H ALA A 77 10.663 2.113 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 77 11.164 4.883 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.426 4.912 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.054 4.729 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.667 3.318 1.199 1.00 0.00 H new ATOM 1102 N GLU A 78 13.152 4.213 0.466 1.00 0.00 N ATOM 1103 CA GLU A 78 14.433 3.766 1.004 1.00 0.00 C ATOM 1104 C GLU A 78 14.292 3.364 2.468 1.00 0.00 C ATOM 1105 O GLU A 78 14.165 4.216 3.347 1.00 0.00 O ATOM 1106 CB GLU A 78 15.482 4.871 0.865 1.00 0.00 C ATOM 1107 CG GLU A 78 15.868 5.165 -0.576 1.00 0.00 C ATOM 1108 CD GLU A 78 17.181 4.518 -0.971 1.00 0.00 C ATOM 1109 OE1 GLU A 78 17.160 3.345 -1.399 1.00 0.00 O ATOM 1110 OE2 GLU A 78 18.231 5.184 -0.851 1.00 0.00 O ATOM 0 H GLU A 78 13.056 5.226 0.390 1.00 0.00 H new ATOM 0 HA GLU A 78 14.757 2.895 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.100 5.783 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.375 4.585 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.079 4.811 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.942 6.243 -0.716 1.00 0.00 H new ATOM 1117 N LEU A 79 14.309 2.059 2.723 1.00 0.00 N ATOM 1118 CA LEU A 79 14.176 1.543 4.080 1.00 0.00 C ATOM 1119 C LEU A 79 15.541 1.337 4.729 1.00 0.00 C ATOM 1120 O LEU A 79 16.534 1.088 4.046 1.00 0.00 O ATOM 1121 CB LEU A 79 13.405 0.223 4.071 1.00 0.00 C ATOM 1122 CG LEU A 79 11.887 0.359 3.949 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.257 -0.984 3.615 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.298 0.921 5.234 1.00 0.00 C ATOM 0 H LEU A 79 14.414 1.340 2.007 1.00 0.00 H new ATOM 0 HA LEU A 79 13.625 2.280 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.767 -0.386 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.633 -0.319 4.989 1.00 0.00 H new ATOM 0 HG LEU A 79 11.667 1.053 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.176 -0.868 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.657 -1.348 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.486 -1.700 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.217 1.011 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.528 0.252 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.727 1.904 5.431 1.00 0.00 H new ATOM 1136 N ASN A 80 15.578 1.438 6.054 1.00 0.00 N ATOM 1137 CA ASN A 80 16.814 1.257 6.804 1.00 0.00 C ATOM 1138 C ASN A 80 16.844 -0.121 7.463 1.00 0.00 C ATOM 1139 O ASN A 80 16.089 -0.384 8.399 1.00 0.00 O ATOM 1140 CB ASN A 80 16.953 2.347 7.868 1.00 0.00 C ATOM 1141 CG ASN A 80 17.707 3.560 7.359 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.911 3.692 7.574 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.998 4.454 6.679 1.00 0.00 N ATOM 0 H ASN A 80 14.763 1.645 6.631 1.00 0.00 H new ATOM 0 HA ASN A 80 17.651 1.331 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.962 2.653 8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.470 1.939 8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.450 5.291 6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 80 16.001 4.304 6.524 1.00 0.00 H new ATOM 1150 N PRO A 81 17.716 -1.026 6.983 1.00 0.00 N ATOM 1151 CA PRO A 81 17.831 -2.379 7.532 1.00 0.00 C ATOM 1152 C PRO A 81 18.536 -2.401 8.883 1.00 0.00 C ATOM 1153 O PRO A 81 19.136 -1.411 9.300 1.00 0.00 O ATOM 1154 CB PRO A 81 18.665 -3.113 6.484 1.00 0.00 C ATOM 1155 CG PRO A 81 19.502 -2.049 5.865 1.00 0.00 C ATOM 1156 CD PRO A 81 18.656 -0.804 5.867 1.00 0.00 C ATOM 0 HA PRO A 81 16.855 -2.829 7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.281 -3.889 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.032 -3.602 5.743 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.421 -1.897 6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.793 -2.322 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.259 0.090 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.131 -0.674 4.920 1.00 0.00 H new ATOM 1164 N MET A 82 18.456 -3.540 9.560 1.00 0.00 N ATOM 1165 CA MET A 82 19.082 -3.701 10.866 1.00 0.00 C ATOM 1166 C MET A 82 20.592 -3.889 10.736 1.00 0.00 C ATOM 1167 O MET A 82 21.340 -3.634 11.679 1.00 0.00 O ATOM 1168 CB MET A 82 18.471 -4.894 11.602 1.00 0.00 C ATOM 1169 CG MET A 82 18.415 -6.161 10.764 1.00 0.00 C ATOM 1170 SD MET A 82 18.251 -7.651 11.766 1.00 0.00 S ATOM 1171 CE MET A 82 19.756 -8.519 11.331 1.00 0.00 C ATOM 0 H MET A 82 17.963 -4.367 9.225 1.00 0.00 H new ATOM 0 HA MET A 82 18.899 -2.792 11.439 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.051 -5.090 12.504 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.462 -4.635 11.922 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.574 -6.098 10.073 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.319 -6.232 10.160 1.00 0.00 H new ATOM 0 HE1 MET A 82 19.800 -9.464 11.872 1.00 0.00 H new ATOM 0 HE2 MET A 82 19.767 -8.714 10.259 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.618 -7.908 11.597 1.00 0.00 H new ATOM 1181 N ASP A 83 21.037 -4.339 9.565 1.00 0.00 N ATOM 1182 CA ASP A 83 22.459 -4.558 9.327 1.00 0.00 C ATOM 1183 C ASP A 83 23.186 -3.235 9.105 1.00 0.00 C ATOM 1184 O ASP A 83 24.296 -3.033 9.598 1.00 0.00 O ATOM 1185 CB ASP A 83 22.665 -5.487 8.125 1.00 0.00 C ATOM 1186 CG ASP A 83 22.369 -4.812 6.798 1.00 0.00 C ATOM 1187 OD1 ASP A 83 21.433 -3.988 6.746 1.00 0.00 O ATOM 1188 OD2 ASP A 83 23.075 -5.108 5.811 1.00 0.00 O ATOM 0 H ASP A 83 20.436 -4.558 8.771 1.00 0.00 H new ATOM 0 HA ASP A 83 22.880 -5.033 10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 83 23.694 -5.846 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 83 22.023 -6.361 8.233 1.00 0.00 H new ATOM 1193 N GLY A 84 22.551 -2.337 8.361 1.00 0.00 N ATOM 1194 CA GLY A 84 23.150 -1.044 8.086 1.00 0.00 C ATOM 1195 C GLY A 84 22.971 -0.617 6.643 1.00 0.00 C ATOM 1196 O GLY A 84 22.762 -1.451 5.762 1.00 0.00 O ATOM 0 H GLY A 84 21.632 -2.481 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.706 -0.295 8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.214 -1.083 8.321 1.00 0.00 H new ATOM 1200 N ASP A 85 23.054 0.688 6.400 1.00 0.00 N ATOM 1201 CA ASP A 85 22.901 1.229 5.054 1.00 0.00 C ATOM 1202 C ASP A 85 21.498 0.957 4.513 1.00 0.00 C ATOM 1203 O ASP A 85 21.132 -0.193 4.272 1.00 0.00 O ATOM 1204 CB ASP A 85 23.948 0.624 4.116 1.00 0.00 C ATOM 1205 CG ASP A 85 25.197 1.478 4.016 1.00 0.00 C ATOM 1206 OD1 ASP A 85 25.408 2.328 4.907 1.00 0.00 O ATOM 1207 OD2 ASP A 85 25.964 1.297 3.048 1.00 0.00 O ATOM 0 H ASP A 85 23.227 1.391 7.119 1.00 0.00 H new ATOM 0 HA ASP A 85 23.049 2.308 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.219 -0.370 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.515 0.501 3.123 1.00 0.00 H new ATOM 1212 N PRO A 86 20.688 2.014 4.312 1.00 0.00 N ATOM 1213 CA PRO A 86 19.323 1.871 3.795 1.00 0.00 C ATOM 1214 C PRO A 86 19.301 1.391 2.348 1.00 0.00 C ATOM 1215 O PRO A 86 20.185 1.726 1.559 1.00 0.00 O ATOM 1216 CB PRO A 86 18.748 3.287 3.898 1.00 0.00 C ATOM 1217 CG PRO A 86 19.937 4.183 3.879 1.00 0.00 C ATOM 1218 CD PRO A 86 21.036 3.425 4.568 1.00 0.00 C ATOM 0 HA PRO A 86 18.754 1.127 4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.077 3.503 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.172 3.414 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.219 4.436 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.727 5.121 4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.015 3.678 4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.068 3.644 5.635 1.00 0.00 H new ATOM 1226 N VAL A 87 18.286 0.603 2.006 1.00 0.00 N ATOM 1227 CA VAL A 87 18.152 0.077 0.653 1.00 0.00 C ATOM 1228 C VAL A 87 16.784 0.410 0.067 1.00 0.00 C ATOM 1229 O VAL A 87 15.796 0.516 0.793 1.00 0.00 O ATOM 1230 CB VAL A 87 18.352 -1.450 0.622 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.815 -1.803 0.841 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.470 -2.127 1.661 1.00 0.00 C ATOM 0 H VAL A 87 17.546 0.315 2.646 1.00 0.00 H new ATOM 0 HA VAL A 87 18.928 0.551 0.051 1.00 0.00 H new ATOM 0 HB VAL A 87 18.059 -1.815 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.936 -2.886 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.420 -1.352 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.139 -1.424 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.626 -3.205 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.728 -1.757 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.424 -1.904 1.451 1.00 0.00 H new ATOM 1242 N GLU A 88 16.736 0.574 -1.251 1.00 0.00 N ATOM 1243 CA GLU A 88 15.489 0.894 -1.935 1.00 0.00 C ATOM 1244 C GLU A 88 14.497 -0.259 -1.821 1.00 0.00 C ATOM 1245 O GLU A 88 14.710 -1.332 -2.384 1.00 0.00 O ATOM 1246 CB GLU A 88 15.758 1.213 -3.408 1.00 0.00 C ATOM 1247 CG GLU A 88 15.308 2.605 -3.820 1.00 0.00 C ATOM 1248 CD GLU A 88 15.667 2.932 -5.257 1.00 0.00 C ATOM 1249 OE1 GLU A 88 15.770 1.991 -6.072 1.00 0.00 O ATOM 1250 OE2 GLU A 88 15.844 4.129 -5.568 1.00 0.00 O ATOM 0 H GLU A 88 17.546 0.491 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 88 15.054 1.771 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.825 1.112 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.249 0.477 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.229 2.687 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.765 3.341 -3.159 1.00 0.00 H new ATOM 1257 N ALA A 89 13.411 -0.029 -1.090 1.00 0.00 N ATOM 1258 CA ALA A 89 12.387 -1.048 -0.904 1.00 0.00 C ATOM 1259 C ALA A 89 11.148 -0.736 -1.736 1.00 0.00 C ATOM 1260 O ALA A 89 10.763 0.424 -1.880 1.00 0.00 O ATOM 1261 CB ALA A 89 12.021 -1.166 0.568 1.00 0.00 C ATOM 0 H ALA A 89 13.218 0.854 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 89 12.791 -2.002 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.255 -1.931 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.906 -1.442 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.640 -0.210 0.926 1.00 0.00 H new ATOM 1267 N ASN A 90 10.530 -1.777 -2.283 1.00 0.00 N ATOM 1268 CA ASN A 90 9.335 -1.611 -3.101 1.00 0.00 C ATOM 1269 C ASN A 90 8.321 -2.715 -2.816 1.00 0.00 C ATOM 1270 O ASN A 90 8.648 -3.900 -2.874 1.00 0.00 O ATOM 1271 CB ASN A 90 9.704 -1.600 -4.590 1.00 0.00 C ATOM 1272 CG ASN A 90 10.037 -2.980 -5.126 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.354 -3.497 -6.010 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.092 -3.585 -4.593 1.00 0.00 N ATOM 0 H ASN A 90 10.837 -2.744 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 90 8.879 -0.655 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.874 -1.184 -5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.558 -0.941 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.364 -4.514 -4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.631 -3.121 -3.862 1.00 0.00 H new ATOM 1281 N VAL A 91 7.091 -2.318 -2.510 1.00 0.00 N ATOM 1282 CA VAL A 91 6.033 -3.277 -2.219 1.00 0.00 C ATOM 1283 C VAL A 91 4.744 -2.912 -2.947 1.00 0.00 C ATOM 1284 O VAL A 91 4.314 -1.759 -2.928 1.00 0.00 O ATOM 1285 CB VAL A 91 5.751 -3.366 -0.706 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.232 -2.037 -0.175 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.766 -4.487 -0.412 1.00 0.00 C ATOM 0 H VAL A 91 6.803 -1.341 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 91 6.382 -4.248 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 91 6.687 -3.591 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.040 -2.123 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.977 -1.260 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.308 -1.775 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.579 -4.535 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.829 -4.295 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.183 -5.436 -0.750 1.00 0.00 H new ATOM 1297 N ASN A 92 4.132 -3.902 -3.585 1.00 0.00 N ATOM 1298 CA ASN A 92 2.892 -3.689 -4.316 1.00 0.00 C ATOM 1299 C ASN A 92 1.690 -3.866 -3.389 1.00 0.00 C ATOM 1300 O ASN A 92 1.367 -4.981 -2.984 1.00 0.00 O ATOM 1301 CB ASN A 92 2.818 -4.660 -5.502 1.00 0.00 C ATOM 1302 CG ASN A 92 1.398 -4.973 -5.937 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.506 -4.128 -5.846 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.184 -6.193 -6.412 1.00 0.00 N ATOM 0 H ASN A 92 4.476 -4.862 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 92 2.872 -2.669 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.363 -4.235 -6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.321 -5.589 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.250 -6.464 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.953 -6.860 -6.469 1.00 0.00 H new ATOM 1311 N LEU A 93 1.032 -2.757 -3.058 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.134 -2.791 -2.178 1.00 0.00 C ATOM 1313 C LEU A 93 -1.127 -3.858 -2.631 1.00 0.00 C ATOM 1314 O LEU A 93 -1.727 -4.552 -1.812 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.818 -1.423 -2.147 1.00 0.00 C ATOM 1316 CG LEU A 93 0.064 -0.269 -1.668 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.620 1.065 -1.924 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.392 -0.428 -0.191 1.00 0.00 C ATOM 0 H LEU A 93 1.286 -1.825 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 93 0.209 -3.041 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.180 -1.192 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.692 -1.485 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 93 0.997 -0.290 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.021 1.875 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.805 1.180 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.568 1.097 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.020 0.401 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.531 -0.432 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.922 -1.367 -0.035 1.00 0.00 H new ATOM 1330 N SER A 94 -1.285 -3.987 -3.944 1.00 0.00 N ATOM 1331 CA SER A 94 -2.196 -4.972 -4.516 1.00 0.00 C ATOM 1332 C SER A 94 -1.808 -6.394 -4.107 1.00 0.00 C ATOM 1333 O SER A 94 -2.581 -7.331 -4.289 1.00 0.00 O ATOM 1334 CB SER A 94 -2.213 -4.856 -6.041 1.00 0.00 C ATOM 1335 OG SER A 94 -2.070 -3.507 -6.451 1.00 0.00 O ATOM 0 H SER A 94 -0.792 -3.420 -4.634 1.00 0.00 H new ATOM 0 HA SER A 94 -3.194 -4.767 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.407 -5.455 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.148 -5.260 -6.429 1.00 0.00 H new ATOM 0 HG SER A 94 -1.148 -3.214 -6.295 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.606 -6.553 -3.565 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.130 -7.865 -3.144 1.00 0.00 C ATOM 1343 C GLU A 95 -1.027 -8.458 -2.063 1.00 0.00 C ATOM 1344 O GLU A 95 -1.402 -9.629 -2.130 1.00 0.00 O ATOM 1345 CB GLU A 95 1.304 -7.770 -2.623 1.00 0.00 C ATOM 1346 CG GLU A 95 2.344 -7.626 -3.723 1.00 0.00 C ATOM 1347 CD GLU A 95 3.417 -8.696 -3.656 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.117 -9.808 -3.174 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.557 -8.421 -4.086 1.00 0.00 O ATOM 0 H GLU A 95 0.055 -5.792 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.157 -8.521 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.381 -6.917 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.528 -8.661 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.850 -7.673 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.811 -6.644 -3.650 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.359 -7.651 -1.059 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.201 -8.113 0.040 1.00 0.00 C ATOM 1358 C ARG A 96 -3.195 -7.039 0.473 1.00 0.00 C ATOM 1359 O ARG A 96 -3.459 -6.872 1.664 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.332 -8.521 1.230 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.419 -9.701 0.941 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.974 -10.988 1.528 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.548 -11.185 2.911 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.909 -12.227 3.656 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.704 -13.166 3.157 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.475 -12.331 4.905 1.00 0.00 N ATOM 0 H ARG A 96 -1.060 -6.679 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.766 -8.975 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.725 -7.669 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.978 -8.770 2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.297 -9.813 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.571 -9.507 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.063 -10.967 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.646 -11.834 0.923 1.00 0.00 H new ATOM 0 HE ARG A 96 0.062 -10.483 3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.042 -13.091 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.977 -13.962 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.135 -11.612 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.752 -13.130 5.476 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.754 -6.321 -0.495 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.727 -5.278 -0.196 1.00 0.00 C ATOM 1382 C ILE A 97 -6.020 -5.522 -0.964 1.00 0.00 C ATOM 1383 O ILE A 97 -6.031 -5.521 -2.192 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.168 -3.881 -0.546 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.992 -3.539 0.373 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.254 -2.817 -0.439 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.391 -3.340 1.819 1.00 0.00 C ATOM 0 H ILE A 97 -3.551 -6.441 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.934 -5.311 0.874 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.816 -3.901 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.253 -4.338 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.510 -2.631 0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.835 -1.843 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.064 -3.053 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.641 -2.794 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.507 -3.101 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.107 -2.522 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.846 -4.254 2.200 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.110 -5.729 -0.235 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.388 -5.978 -0.874 1.00 0.00 C ATOM 1401 C GLY A 98 -9.431 -4.932 -0.536 1.00 0.00 C ATOM 1402 O GLY A 98 -9.153 -3.978 0.190 1.00 0.00 O ATOM 0 H GLY A 98 -7.132 -5.729 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.248 -6.008 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.754 -6.959 -0.572 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.638 -5.118 -1.062 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.734 -4.190 -0.813 1.00 0.00 C ATOM 1408 C ASN A 99 -13.011 -4.948 -0.464 1.00 0.00 C ATOM 1409 O ASN A 99 -13.702 -5.459 -1.346 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.971 -3.303 -2.037 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.200 -4.109 -3.301 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.393 -4.965 -3.660 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.307 -3.837 -3.983 1.00 0.00 N ATOM 0 H ASN A 99 -10.881 -5.905 -1.664 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.460 -3.559 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.835 -2.663 -1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.112 -2.647 -2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.515 -4.347 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.949 -3.118 -3.648 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.317 -5.021 0.827 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.509 -5.721 1.293 1.00 0.00 C ATOM 1422 C ASP A 100 -15.697 -4.770 1.391 1.00 0.00 C ATOM 1423 O ASP A 100 -15.680 -3.818 2.171 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.246 -6.368 2.654 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.337 -7.343 3.051 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -15.258 -8.521 2.643 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -16.271 -6.928 3.769 1.00 0.00 O ATOM 0 H ASP A 100 -12.756 -4.604 1.570 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.749 -6.499 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.289 -6.889 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.164 -5.590 3.413 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.727 -5.034 0.594 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.925 -4.202 0.590 1.00 0.00 C ATOM 1434 C CYS A 101 -17.576 -2.744 0.307 1.00 0.00 C ATOM 1435 O CYS A 101 -18.263 -1.831 0.763 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.653 -4.313 1.931 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.301 -3.570 1.940 1.00 0.00 S ATOM 0 H CYS A 101 -16.756 -5.818 -0.058 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.582 -4.559 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.739 -5.366 2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.047 -3.836 2.702 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.241 -2.376 1.430 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.501 -2.534 -0.447 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.079 -1.186 -0.776 1.00 0.00 C ATOM 1445 C GLY A 102 -15.093 -0.619 0.230 1.00 0.00 C ATOM 1446 O GLY A 102 -14.469 0.412 -0.021 1.00 0.00 O ATOM 0 H GLY A 102 -15.916 -3.273 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.623 -1.184 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.954 -0.538 -0.826 1.00 0.00 H new ATOM 1450 N THR A 103 -14.950 -1.291 1.370 1.00 0.00 N ATOM 1451 CA THR A 103 -14.033 -0.841 2.411 1.00 0.00 C ATOM 1452 C THR A 103 -12.636 -1.413 2.188 1.00 0.00 C ATOM 1453 O THR A 103 -12.484 -2.531 1.698 1.00 0.00 O ATOM 1454 CB THR A 103 -14.551 -1.252 3.790 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.875 -0.788 3.986 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.706 -0.725 4.929 1.00 0.00 C ATOM 0 H THR A 103 -15.457 -2.147 1.595 1.00 0.00 H new ATOM 0 HA THR A 103 -13.974 0.246 2.363 1.00 0.00 H new ATOM 0 HB THR A 103 -14.508 -2.341 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.190 -1.062 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.129 -1.053 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.689 -1.106 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.690 0.364 4.896 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.621 -0.637 2.551 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.235 -1.063 2.390 1.00 0.00 C ATOM 1466 C LEU A 104 -9.866 -2.126 3.420 1.00 0.00 C ATOM 1467 O LEU A 104 -10.037 -1.927 4.622 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.296 0.141 2.515 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.482 0.464 1.259 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.387 -0.572 1.053 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.386 0.538 0.037 1.00 0.00 C ATOM 0 H LEU A 104 -11.732 0.291 2.959 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.126 -1.499 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.887 1.017 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.606 -0.040 3.339 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.013 1.438 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.818 -0.327 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.721 -0.574 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.836 -1.559 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.788 0.769 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.886 -0.420 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.132 1.319 0.183 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.354 -3.255 2.939 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.956 -4.350 3.816 1.00 0.00 C ATOM 1485 C ILE A 105 -7.593 -4.904 3.415 1.00 0.00 C ATOM 1486 O ILE A 105 -7.030 -4.513 2.392 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.990 -5.493 3.799 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.139 -6.059 2.385 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.331 -5.003 4.323 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.258 -7.567 2.347 1.00 0.00 C ATOM 0 H ILE A 105 -9.205 -3.435 1.946 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.898 -3.942 4.825 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.636 -6.290 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.021 -5.621 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.279 -5.755 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.050 -5.822 4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.213 -4.646 5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.692 -4.189 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.361 -7.898 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.365 -8.014 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.134 -7.877 2.916 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.066 -5.814 4.227 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.769 -6.420 3.958 1.00 0.00 C ATOM 1504 C PHE A 106 -5.882 -7.943 3.919 1.00 0.00 C ATOM 1505 O PHE A 106 -6.575 -8.545 4.739 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.754 -5.981 5.020 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.606 -6.934 5.199 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.707 -7.993 6.083 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.433 -6.770 4.481 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.656 -8.875 6.251 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.379 -7.648 4.644 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.490 -8.702 5.530 1.00 0.00 C ATOM 0 H PHE A 106 -7.519 -6.148 5.078 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.422 -6.082 2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.361 -5.001 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.269 -5.865 5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.617 -8.132 6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.341 -5.948 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.746 -9.698 6.945 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.469 -7.510 4.079 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.667 -9.389 5.659 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.196 -8.557 2.960 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.219 -10.007 2.813 1.00 0.00 C ATOM 1524 C LEU A 107 -4.514 -10.683 3.985 1.00 0.00 C ATOM 1525 O LEU A 107 -3.285 -10.723 4.044 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.553 -10.416 1.498 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.487 -10.471 0.288 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.622 -11.453 0.535 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -6.036 -9.087 -0.024 1.00 0.00 C ATOM 0 H LEU A 107 -4.618 -8.073 2.274 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.260 -10.331 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.747 -9.715 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.096 -11.397 1.630 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.916 -10.816 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.277 -11.479 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.211 -12.447 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.193 -11.137 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.699 -9.145 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.592 -8.714 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.211 -8.409 -0.244 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.301 -11.214 4.916 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.753 -11.888 6.087 1.00 0.00 C ATOM 1543 C ALA A 108 -5.214 -13.341 6.147 1.00 0.00 C ATOM 1544 O ALA A 108 -6.384 -13.575 6.516 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.153 -11.149 7.356 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.400 -14.233 5.825 1.00 0.00 O ATOM 0 H ALA A 108 -6.320 -11.190 4.882 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.666 -11.883 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.737 -11.663 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.769 -10.130 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.240 -11.125 7.436 1.00 0.00 H new TER 1552 ALA A 108