USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 578 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= 0.0782 X(o=0.078,f=0) USER MOD Set 1.2: A 150 ASN : amide:sc=0.000199 X(o=0.078,f=0) USER MOD Set 2.1: A 62 TYR OH : rot -80:sc= 0.283 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 64 LYS NZ :NH3+ -152:sc= 0.584 (180deg=0.416) USER MOD Set 3.2: A 125 SER OG : rot 70:sc= 0.341 USER MOD Set 4.1: A 57 CYS SG : rot -130:sc= 0.128 USER MOD Set 4.2: A 60 TYR OH : rot 102:sc= 0.043 USER MOD Set 4.3: A 109 HIS : no HE2:sc= 0.276 K(o=0.45,f=-3.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.235 K(o=-0.24,f=-1.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 72 THR OG1 : rot -41:sc= 0.848 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.883 K(o=-0.88,f=-8.3!) USER MOD Single : A 78 ASN : amide:sc= -0.665 X(o=-0.66,f=-0.49) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -81:sc= 0.901 USER MOD Single : A 85 SER OG : rot -17:sc= 0.155 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.168 K(o=-0.17,f=-4.5!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -98:sc= 0.622 USER MOD Single : A 101 GLN : amide:sc= -0.909 K(o=-0.91,f=-1.6) USER MOD Single : A 102 SER OG : rot 89:sc= 0.499 USER MOD Single : A 112 TYR OH : rot -15:sc= -0.523 USER MOD Single : A 115 ASN : amide:sc= 0.383 K(o=0.38,f=-0.16) USER MOD Single : A 117 ASN : amide:sc= -0.0812 K(o=-0.081,f=-0.64) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl -141:sc= -0.263 (180deg=-1.24!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= -0.0149 USER MOD Single : A 151 TYR OH : rot -140:sc= -1.74! USER MOD Single : A 153 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -8.417 -5.050 -13.299 1.00 45.23 N ATOM 724 CA THR A 53 -9.811 -5.508 -13.431 1.00 42.34 C ATOM 725 C THR A 53 -10.525 -5.564 -12.074 1.00 0.25 C ATOM 726 O THR A 53 -9.886 -5.728 -11.031 1.00 31.25 O ATOM 727 CB THR A 53 -9.896 -6.905 -14.096 1.00 54.24 C ATOM 728 OG1 THR A 53 -11.270 -7.239 -14.358 1.00 51.24 O ATOM 729 CG2 THR A 53 -9.264 -7.987 -13.219 1.00 40.40 C ATOM 0 HA THR A 53 -10.308 -4.776 -14.067 1.00 42.34 H new ATOM 0 HB THR A 53 -9.340 -6.861 -15.032 1.00 54.24 H new ATOM 0 HG1 THR A 53 -11.317 -8.122 -14.780 1.00 51.24 H new ATOM 0 HG21 THR A 53 -9.343 -8.952 -13.719 1.00 40.40 H new ATOM 0 HG22 THR A 53 -8.213 -7.751 -13.050 1.00 40.40 H new ATOM 0 HG23 THR A 53 -9.785 -8.030 -12.262 1.00 40.40 H new ATOM 737 N ALA A 54 -11.854 -5.437 -12.095 1.00 63.22 N ATOM 738 CA ALA A 54 -12.660 -5.465 -10.867 1.00 44.54 C ATOM 739 C ALA A 54 -12.511 -6.798 -10.109 1.00 0.44 C ATOM 740 O ALA A 54 -13.206 -7.778 -10.396 1.00 3.44 O ATOM 741 CB ALA A 54 -14.126 -5.192 -11.192 1.00 40.12 C ATOM 0 H ALA A 54 -12.398 -5.313 -12.949 1.00 63.22 H new ATOM 0 HA ALA A 54 -12.288 -4.678 -10.210 1.00 44.54 H new ATOM 0 HB1 ALA A 54 -14.713 -5.215 -10.274 1.00 40.12 H new ATOM 0 HB2 ALA A 54 -14.219 -4.211 -11.657 1.00 40.12 H new ATOM 0 HB3 ALA A 54 -14.495 -5.955 -11.878 1.00 40.12 H new ATOM 747 N GLY A 55 -11.577 -6.831 -9.159 1.00 45.11 N ATOM 748 CA GLY A 55 -11.336 -8.038 -8.373 1.00 71.43 C ATOM 749 C GLY A 55 -9.943 -8.071 -7.755 1.00 65.45 C ATOM 750 O GLY A 55 -9.773 -8.477 -6.603 1.00 42.23 O ATOM 0 H GLY A 55 -10.979 -6.041 -8.917 1.00 45.11 H new ATOM 0 HA2 GLY A 55 -12.082 -8.105 -7.581 1.00 71.43 H new ATOM 0 HA3 GLY A 55 -11.467 -8.913 -9.010 1.00 71.43 H new ATOM 754 N GLN A 56 -8.944 -7.637 -8.523 1.00 25.43 N ATOM 755 CA GLN A 56 -7.556 -7.597 -8.040 1.00 54.03 C ATOM 756 C GLN A 56 -7.404 -6.642 -6.845 1.00 10.01 C ATOM 757 O GLN A 56 -8.053 -5.595 -6.788 1.00 62.35 O ATOM 758 CB GLN A 56 -6.611 -7.159 -9.168 1.00 44.02 C ATOM 759 CG GLN A 56 -6.593 -8.101 -10.368 1.00 65.01 C ATOM 760 CD GLN A 56 -5.659 -7.623 -11.467 1.00 14.51 C ATOM 761 OE1 GLN A 56 -6.063 -6.898 -12.367 1.00 24.05 O ATOM 762 NE2 GLN A 56 -4.403 -8.021 -11.400 1.00 24.20 N ATOM 0 H GLN A 56 -9.065 -7.308 -9.481 1.00 25.43 H new ATOM 0 HA GLN A 56 -7.293 -8.603 -7.713 1.00 54.03 H new ATOM 0 HB2 GLN A 56 -6.902 -6.164 -9.505 1.00 44.02 H new ATOM 0 HB3 GLN A 56 -5.600 -7.077 -8.769 1.00 44.02 H new ATOM 0 HG2 GLN A 56 -6.287 -9.095 -10.042 1.00 65.01 H new ATOM 0 HG3 GLN A 56 -7.603 -8.194 -10.768 1.00 65.01 H new ATOM 0 HE21 GLN A 56 -4.100 -8.625 -10.636 1.00 24.20 H new ATOM 0 HE22 GLN A 56 -3.735 -7.725 -12.112 1.00 24.20 H new ATOM 771 N CYS A 57 -6.535 -6.995 -5.897 1.00 23.13 N ATOM 772 CA CYS A 57 -6.302 -6.144 -4.721 1.00 42.32 C ATOM 773 C CYS A 57 -5.740 -4.783 -5.133 1.00 40.33 C ATOM 774 O CYS A 57 -6.084 -3.748 -4.557 1.00 73.45 O ATOM 775 CB CYS A 57 -5.368 -6.824 -3.712 1.00 34.34 C ATOM 776 SG CYS A 57 -3.700 -7.166 -4.320 1.00 14.21 S ATOM 0 H CYS A 57 -5.985 -7.854 -5.916 1.00 23.13 H new ATOM 0 HA CYS A 57 -7.266 -5.988 -4.236 1.00 42.32 H new ATOM 0 HB2 CYS A 57 -5.293 -6.192 -2.827 1.00 34.34 H new ATOM 0 HB3 CYS A 57 -5.822 -7.763 -3.396 1.00 34.34 H new ATOM 0 HG CYS A 57 -3.393 -8.405 -4.072 1.00 14.21 H new ATOM 782 N THR A 58 -4.902 -4.791 -6.159 1.00 54.21 N ATOM 783 CA THR A 58 -4.312 -3.566 -6.708 1.00 35.43 C ATOM 784 C THR A 58 -5.369 -2.652 -7.352 1.00 52.13 C ATOM 785 O THR A 58 -5.118 -1.470 -7.596 1.00 72.12 O ATOM 786 CB THR A 58 -3.236 -3.912 -7.761 1.00 31.34 C ATOM 787 OG1 THR A 58 -3.803 -4.738 -8.790 1.00 50.33 O ATOM 788 CG2 THR A 58 -2.062 -4.638 -7.118 1.00 3.14 C ATOM 0 H THR A 58 -4.608 -5.642 -6.638 1.00 54.21 H new ATOM 0 HA THR A 58 -3.860 -3.031 -5.873 1.00 35.43 H new ATOM 0 HB THR A 58 -2.875 -2.980 -8.197 1.00 31.34 H new ATOM 0 HG1 THR A 58 -3.115 -4.951 -9.454 1.00 50.33 H new ATOM 0 HG21 THR A 58 -1.317 -4.871 -7.879 1.00 3.14 H new ATOM 0 HG22 THR A 58 -1.614 -4.001 -6.355 1.00 3.14 H new ATOM 0 HG23 THR A 58 -2.413 -5.562 -6.659 1.00 3.14 H new ATOM 796 N TRP A 59 -6.554 -3.205 -7.620 1.00 54.34 N ATOM 797 CA TRP A 59 -7.649 -2.450 -8.240 1.00 23.02 C ATOM 798 C TRP A 59 -8.340 -1.504 -7.236 1.00 74.40 C ATOM 799 O TRP A 59 -8.342 -0.288 -7.422 1.00 63.14 O ATOM 800 CB TRP A 59 -8.673 -3.422 -8.852 1.00 52.12 C ATOM 801 CG TRP A 59 -9.881 -2.750 -9.442 1.00 10.13 C ATOM 802 CD1 TRP A 59 -9.959 -2.106 -10.646 1.00 23.10 C ATOM 803 CD2 TRP A 59 -11.187 -2.666 -8.857 1.00 43.44 C ATOM 804 NE1 TRP A 59 -11.232 -1.629 -10.841 1.00 12.24 N ATOM 805 CE2 TRP A 59 -12.003 -1.959 -9.758 1.00 4.05 C ATOM 806 CE3 TRP A 59 -11.745 -3.120 -7.659 1.00 64.02 C ATOM 807 CZ2 TRP A 59 -13.345 -1.695 -9.501 1.00 15.51 C ATOM 808 CZ3 TRP A 59 -13.078 -2.857 -7.404 1.00 23.52 C ATOM 809 CH2 TRP A 59 -13.865 -2.151 -8.321 1.00 70.21 C ATOM 0 H TRP A 59 -6.782 -4.178 -7.417 1.00 54.34 H new ATOM 0 HA TRP A 59 -7.221 -1.829 -9.027 1.00 23.02 H new ATOM 0 HB2 TRP A 59 -8.182 -4.009 -9.628 1.00 52.12 H new ATOM 0 HB3 TRP A 59 -8.999 -4.121 -8.082 1.00 52.12 H new ATOM 0 HD1 TRP A 59 -9.140 -1.990 -11.341 1.00 23.10 H new ATOM 0 HE1 TRP A 59 -11.552 -1.112 -11.660 1.00 12.24 H new ATOM 0 HE3 TRP A 59 -11.146 -3.666 -6.945 1.00 64.02 H new ATOM 0 HZ2 TRP A 59 -13.954 -1.150 -10.207 1.00 15.51 H new ATOM 0 HZ3 TRP A 59 -13.520 -3.202 -6.481 1.00 23.52 H new ATOM 0 HH2 TRP A 59 -14.904 -1.963 -8.092 1.00 70.21 H new ATOM 820 N TYR A 60 -8.917 -2.061 -6.168 1.00 51.11 N ATOM 821 CA TYR A 60 -9.672 -1.248 -5.197 1.00 51.15 C ATOM 822 C TYR A 60 -8.761 -0.359 -4.328 1.00 21.13 C ATOM 823 O TYR A 60 -9.165 0.727 -3.910 1.00 50.25 O ATOM 824 CB TYR A 60 -10.583 -2.128 -4.321 1.00 22.41 C ATOM 825 CG TYR A 60 -9.905 -3.329 -3.677 1.00 71.23 C ATOM 826 CD1 TYR A 60 -9.097 -3.191 -2.551 1.00 32.55 C ATOM 827 CD2 TYR A 60 -10.101 -4.611 -4.187 1.00 44.43 C ATOM 828 CE1 TYR A 60 -8.505 -4.290 -1.958 1.00 1.20 C ATOM 829 CE2 TYR A 60 -9.510 -5.712 -3.599 1.00 54.14 C ATOM 830 CZ TYR A 60 -8.716 -5.546 -2.484 1.00 21.41 C ATOM 831 OH TYR A 60 -8.130 -6.643 -1.893 1.00 51.32 O ATOM 0 H TYR A 60 -8.880 -3.057 -5.951 1.00 51.11 H new ATOM 0 HA TYR A 60 -10.302 -0.576 -5.780 1.00 51.15 H new ATOM 0 HB2 TYR A 60 -11.011 -1.508 -3.533 1.00 22.41 H new ATOM 0 HB3 TYR A 60 -11.412 -2.484 -4.932 1.00 22.41 H new ATOM 0 HD1 TYR A 60 -8.930 -2.209 -2.134 1.00 32.55 H new ATOM 0 HD2 TYR A 60 -10.726 -4.746 -5.057 1.00 44.43 H new ATOM 0 HE1 TYR A 60 -7.880 -4.165 -1.086 1.00 1.20 H new ATOM 0 HE2 TYR A 60 -9.669 -6.698 -4.010 1.00 54.14 H new ATOM 0 HH TYR A 60 -8.794 -7.115 -1.348 1.00 51.32 H new ATOM 841 N VAL A 61 -7.534 -0.810 -4.062 1.00 54.20 N ATOM 842 CA VAL A 61 -6.560 0.021 -3.339 1.00 5.11 C ATOM 843 C VAL A 61 -6.209 1.273 -4.158 1.00 63.20 C ATOM 844 O VAL A 61 -5.947 2.347 -3.608 1.00 54.15 O ATOM 845 CB VAL A 61 -5.267 -0.766 -3.014 1.00 4.32 C ATOM 846 CG1 VAL A 61 -4.228 0.134 -2.338 1.00 40.51 C ATOM 847 CG2 VAL A 61 -5.589 -1.975 -2.138 1.00 41.54 C ATOM 0 H VAL A 61 -7.191 -1.732 -4.330 1.00 54.20 H new ATOM 0 HA VAL A 61 -7.023 0.320 -2.399 1.00 5.11 H new ATOM 0 HB VAL A 61 -4.839 -1.120 -3.952 1.00 4.32 H new ATOM 0 HG11 VAL A 61 -3.331 -0.445 -2.121 1.00 40.51 H new ATOM 0 HG12 VAL A 61 -3.975 0.960 -3.002 1.00 40.51 H new ATOM 0 HG13 VAL A 61 -4.638 0.529 -1.408 1.00 40.51 H new ATOM 0 HG21 VAL A 61 -4.671 -2.519 -1.917 1.00 41.54 H new ATOM 0 HG22 VAL A 61 -6.044 -1.638 -1.207 1.00 41.54 H new ATOM 0 HG23 VAL A 61 -6.282 -2.631 -2.664 1.00 41.54 H new ATOM 857 N TYR A 62 -6.233 1.125 -5.479 1.00 13.00 N ATOM 858 CA TYR A 62 -5.968 2.233 -6.397 1.00 21.20 C ATOM 859 C TYR A 62 -6.957 3.389 -6.159 1.00 41.31 C ATOM 860 O TYR A 62 -6.579 4.562 -6.181 1.00 64.43 O ATOM 861 CB TYR A 62 -6.069 1.726 -7.843 1.00 13.11 C ATOM 862 CG TYR A 62 -5.380 2.601 -8.871 1.00 65.54 C ATOM 863 CD1 TYR A 62 -4.008 2.802 -8.818 1.00 3.33 C ATOM 864 CD2 TYR A 62 -6.090 3.206 -9.903 1.00 54.52 C ATOM 865 CE1 TYR A 62 -3.365 3.579 -9.755 1.00 71.43 C ATOM 866 CE2 TYR A 62 -5.450 3.980 -10.851 1.00 63.23 C ATOM 867 CZ TYR A 62 -4.086 4.165 -10.770 1.00 35.02 C ATOM 868 OH TYR A 62 -3.433 4.917 -11.717 1.00 55.54 O ATOM 0 H TYR A 62 -6.435 0.240 -5.944 1.00 13.00 H new ATOM 0 HA TYR A 62 -4.963 2.614 -6.217 1.00 21.20 H new ATOM 0 HB2 TYR A 62 -5.641 0.725 -7.893 1.00 13.11 H new ATOM 0 HB3 TYR A 62 -7.122 1.637 -8.109 1.00 13.11 H new ATOM 0 HD1 TYR A 62 -3.434 2.341 -8.028 1.00 3.33 H new ATOM 0 HD2 TYR A 62 -7.159 3.068 -9.964 1.00 54.52 H new ATOM 0 HE1 TYR A 62 -2.297 3.728 -9.694 1.00 71.43 H new ATOM 0 HE2 TYR A 62 -6.014 4.437 -11.650 1.00 63.23 H new ATOM 0 HH TYR A 62 -3.250 5.810 -11.357 1.00 55.54 H new ATOM 878 N ASP A 63 -8.221 3.043 -5.906 1.00 40.53 N ATOM 879 CA ASP A 63 -9.262 4.041 -5.636 1.00 24.45 C ATOM 880 C ASP A 63 -9.045 4.722 -4.273 1.00 71.42 C ATOM 881 O ASP A 63 -9.278 5.924 -4.126 1.00 33.12 O ATOM 882 CB ASP A 63 -10.650 3.389 -5.679 1.00 34.41 C ATOM 883 CG ASP A 63 -11.768 4.415 -5.579 1.00 62.52 C ATOM 884 OD1 ASP A 63 -12.184 4.951 -6.628 1.00 2.23 O ATOM 885 OD2 ASP A 63 -12.221 4.708 -4.451 1.00 23.24 O ATOM 0 H ASP A 63 -8.550 2.078 -5.882 1.00 40.53 H new ATOM 0 HA ASP A 63 -9.200 4.804 -6.412 1.00 24.45 H new ATOM 0 HB2 ASP A 63 -10.757 2.826 -6.606 1.00 34.41 H new ATOM 0 HB3 ASP A 63 -10.740 2.675 -4.861 1.00 34.41 H new ATOM 890 N LYS A 64 -8.594 3.947 -3.285 1.00 72.51 N ATOM 891 CA LYS A 64 -8.312 4.471 -1.939 1.00 35.04 C ATOM 892 C LYS A 64 -7.306 5.637 -1.981 1.00 3.24 C ATOM 893 O LYS A 64 -7.376 6.562 -1.172 1.00 22.41 O ATOM 894 CB LYS A 64 -7.759 3.352 -1.043 1.00 54.15 C ATOM 895 CG LYS A 64 -8.734 2.202 -0.790 1.00 41.11 C ATOM 896 CD LYS A 64 -9.911 2.618 0.094 1.00 63.03 C ATOM 897 CE LYS A 64 -9.457 3.067 1.483 1.00 1.04 C ATOM 898 NZ LYS A 64 -10.604 3.280 2.409 1.00 5.14 N ATOM 0 H LYS A 64 -8.414 2.948 -3.389 1.00 72.51 H new ATOM 0 HA LYS A 64 -9.250 4.845 -1.529 1.00 35.04 H new ATOM 0 HB2 LYS A 64 -6.855 2.951 -1.501 1.00 54.15 H new ATOM 0 HB3 LYS A 64 -7.467 3.782 -0.085 1.00 54.15 H new ATOM 0 HG2 LYS A 64 -9.112 1.834 -1.744 1.00 41.11 H new ATOM 0 HG3 LYS A 64 -8.202 1.376 -0.317 1.00 41.11 H new ATOM 0 HD2 LYS A 64 -10.457 3.429 -0.388 1.00 63.03 H new ATOM 0 HD3 LYS A 64 -10.603 1.782 0.192 1.00 63.03 H new ATOM 0 HE2 LYS A 64 -8.787 2.318 1.904 1.00 1.04 H new ATOM 0 HE3 LYS A 64 -8.886 3.992 1.396 1.00 1.04 H new ATOM 0 HZ1 LYS A 64 -10.348 3.993 3.121 1.00 5.14 H new ATOM 0 HZ2 LYS A 64 -11.429 3.611 1.869 1.00 5.14 H new ATOM 0 HZ3 LYS A 64 -10.837 2.385 2.884 1.00 5.14 H new ATOM 912 N VAL A 65 -6.367 5.573 -2.927 1.00 61.00 N ATOM 913 CA VAL A 65 -5.367 6.634 -3.115 1.00 25.32 C ATOM 914 C VAL A 65 -5.727 7.534 -4.323 1.00 33.24 C ATOM 915 O VAL A 65 -4.900 8.291 -4.833 1.00 14.40 O ATOM 916 CB VAL A 65 -3.950 6.016 -3.301 1.00 50.35 C ATOM 917 CG1 VAL A 65 -3.850 5.243 -4.615 1.00 32.34 C ATOM 918 CG2 VAL A 65 -2.855 7.081 -3.197 1.00 50.53 C ATOM 0 H VAL A 65 -6.276 4.794 -3.580 1.00 61.00 H new ATOM 0 HA VAL A 65 -5.364 7.257 -2.221 1.00 25.32 H new ATOM 0 HB VAL A 65 -3.794 5.307 -2.488 1.00 50.35 H new ATOM 0 HG11 VAL A 65 -2.849 4.824 -4.715 1.00 32.34 H new ATOM 0 HG12 VAL A 65 -4.583 4.436 -4.619 1.00 32.34 H new ATOM 0 HG13 VAL A 65 -4.047 5.916 -5.449 1.00 32.34 H new ATOM 0 HG21 VAL A 65 -1.879 6.614 -3.332 1.00 50.53 H new ATOM 0 HG22 VAL A 65 -3.006 7.835 -3.970 1.00 50.53 H new ATOM 0 HG23 VAL A 65 -2.899 7.553 -2.216 1.00 50.53 H new ATOM 928 N GLY A 66 -6.976 7.434 -4.782 1.00 72.04 N ATOM 929 CA GLY A 66 -7.453 8.262 -5.894 1.00 30.10 C ATOM 930 C GLY A 66 -6.836 7.900 -7.248 1.00 3.33 C ATOM 931 O GLY A 66 -7.181 8.491 -8.274 1.00 64.52 O ATOM 0 H GLY A 66 -7.673 6.792 -4.404 1.00 72.04 H new ATOM 0 HA2 GLY A 66 -8.537 8.170 -5.964 1.00 30.10 H new ATOM 0 HA3 GLY A 66 -7.236 9.307 -5.675 1.00 30.10 H new ATOM 935 N GLY A 67 -5.938 6.916 -7.254 1.00 61.25 N ATOM 936 CA GLY A 67 -5.229 6.543 -8.473 1.00 13.25 C ATOM 937 C GLY A 67 -3.987 7.392 -8.735 1.00 43.02 C ATOM 938 O GLY A 67 -3.383 7.299 -9.803 1.00 54.42 O ATOM 0 H GLY A 67 -5.686 6.366 -6.432 1.00 61.25 H new ATOM 0 HA2 GLY A 67 -4.937 5.495 -8.408 1.00 13.25 H new ATOM 0 HA3 GLY A 67 -5.907 6.633 -9.321 1.00 13.25 H new ATOM 942 N ASN A 68 -3.582 8.188 -7.745 1.00 10.52 N ATOM 943 CA ASN A 68 -2.451 9.122 -7.890 1.00 32.33 C ATOM 944 C ASN A 68 -1.085 8.414 -7.756 1.00 73.44 C ATOM 945 O ASN A 68 -0.141 8.972 -7.196 1.00 64.22 O ATOM 946 CB ASN A 68 -2.571 10.233 -6.837 1.00 30.05 C ATOM 947 CG ASN A 68 -3.848 11.042 -6.990 1.00 64.22 C ATOM 948 OD1 ASN A 68 -4.316 11.291 -8.096 1.00 21.21 O ATOM 949 ND2 ASN A 68 -4.434 11.440 -5.881 1.00 30.23 N ATOM 0 H ASN A 68 -4.021 8.208 -6.824 1.00 10.52 H new ATOM 0 HA ASN A 68 -2.496 9.546 -8.893 1.00 32.33 H new ATOM 0 HB2 ASN A 68 -2.542 9.791 -5.841 1.00 30.05 H new ATOM 0 HB3 ASN A 68 -1.711 10.898 -6.915 1.00 30.05 H new ATOM 0 HD21 ASN A 68 -5.303 11.972 -5.926 1.00 30.23 H new ATOM 0 HD22 ASN A 68 -4.019 11.217 -4.976 1.00 30.23 H new ATOM 956 N ILE A 69 -0.977 7.197 -8.294 1.00 72.43 N ATOM 957 CA ILE A 69 0.262 6.407 -8.197 1.00 63.25 C ATOM 958 C ILE A 69 0.649 5.762 -9.544 1.00 64.31 C ATOM 959 O ILE A 69 1.819 5.756 -9.924 1.00 21.33 O ATOM 960 CB ILE A 69 0.151 5.294 -7.114 1.00 54.21 C ATOM 961 CG1 ILE A 69 -1.103 4.436 -7.344 1.00 40.43 C ATOM 962 CG2 ILE A 69 0.136 5.896 -5.713 1.00 33.15 C ATOM 963 CD1 ILE A 69 -1.275 3.311 -6.345 1.00 62.32 C ATOM 0 H ILE A 69 -1.730 6.733 -8.802 1.00 72.43 H new ATOM 0 HA ILE A 69 1.043 7.111 -7.910 1.00 63.25 H new ATOM 0 HB ILE A 69 1.028 4.653 -7.199 1.00 54.21 H new ATOM 0 HG12 ILE A 69 -1.982 5.079 -7.305 1.00 40.43 H new ATOM 0 HG13 ILE A 69 -1.061 4.013 -8.348 1.00 40.43 H new ATOM 0 HG21 ILE A 69 0.058 5.098 -4.975 1.00 33.15 H new ATOM 0 HG22 ILE A 69 1.057 6.455 -5.547 1.00 33.15 H new ATOM 0 HG23 ILE A 69 -0.718 6.566 -5.614 1.00 33.15 H new ATOM 0 HD11 ILE A 69 -2.183 2.754 -6.577 1.00 62.32 H new ATOM 0 HD12 ILE A 69 -0.416 2.643 -6.398 1.00 62.32 H new ATOM 0 HD13 ILE A 69 -1.351 3.725 -5.340 1.00 62.32 H new ATOM 975 N GLY A 70 -0.336 5.225 -10.265 1.00 65.50 N ATOM 976 CA GLY A 70 -0.057 4.545 -11.529 1.00 51.23 C ATOM 977 C GLY A 70 -0.312 3.040 -11.476 1.00 43.12 C ATOM 978 O GLY A 70 0.520 2.276 -10.989 1.00 31.12 O ATOM 0 H GLY A 70 -1.321 5.247 -10.000 1.00 65.50 H new ATOM 0 HA2 GLY A 70 -0.674 4.983 -12.313 1.00 51.23 H new ATOM 0 HA3 GLY A 70 0.982 4.721 -11.806 1.00 51.23 H new ATOM 982 N SER A 71 -1.462 2.612 -11.998 1.00 31.23 N ATOM 983 CA SER A 71 -1.855 1.187 -11.984 1.00 51.24 C ATOM 984 C SER A 71 -1.172 0.385 -13.104 1.00 2.52 C ATOM 985 O SER A 71 -1.797 -0.460 -13.745 1.00 63.54 O ATOM 986 CB SER A 71 -3.382 1.063 -12.121 1.00 12.22 C ATOM 987 OG SER A 71 -3.857 1.670 -13.314 1.00 50.03 O ATOM 0 H SER A 71 -2.145 3.228 -12.439 1.00 31.23 H new ATOM 0 HA SER A 71 -1.529 0.770 -11.031 1.00 51.24 H new ATOM 0 HB2 SER A 71 -3.663 0.010 -12.113 1.00 12.22 H new ATOM 0 HB3 SER A 71 -3.863 1.528 -11.260 1.00 12.22 H new ATOM 0 HG SER A 71 -4.830 1.570 -13.367 1.00 50.03 H new ATOM 993 N THR A 72 0.124 0.618 -13.304 1.00 22.15 N ATOM 994 CA THR A 72 0.872 -0.020 -14.404 1.00 71.33 C ATOM 995 C THR A 72 2.132 -0.749 -13.901 1.00 62.22 C ATOM 996 O THR A 72 3.032 -1.071 -14.680 1.00 4.31 O ATOM 997 CB THR A 72 1.285 1.036 -15.464 1.00 42.33 C ATOM 998 OG1 THR A 72 1.880 0.400 -16.608 1.00 63.11 O ATOM 999 CG2 THR A 72 2.261 2.056 -14.876 1.00 71.11 C ATOM 0 H THR A 72 0.684 1.242 -12.723 1.00 22.15 H new ATOM 0 HA THR A 72 0.206 -0.757 -14.853 1.00 71.33 H new ATOM 0 HB THR A 72 0.382 1.560 -15.776 1.00 42.33 H new ATOM 0 HG1 THR A 72 2.476 -0.319 -16.310 1.00 63.11 H new ATOM 0 HG21 THR A 72 2.533 2.783 -15.641 1.00 71.11 H new ATOM 0 HG22 THR A 72 1.789 2.570 -14.038 1.00 71.11 H new ATOM 0 HG23 THR A 72 3.158 1.543 -14.528 1.00 71.11 H new ATOM 1007 N TRP A 73 2.180 -1.039 -12.600 1.00 63.12 N ATOM 1008 CA TRP A 73 3.380 -1.633 -11.980 1.00 34.31 C ATOM 1009 C TRP A 73 3.350 -3.176 -11.974 1.00 61.31 C ATOM 1010 O TRP A 73 4.182 -3.815 -11.325 1.00 34.33 O ATOM 1011 CB TRP A 73 3.546 -1.104 -10.548 1.00 1.34 C ATOM 1012 CG TRP A 73 3.789 0.379 -10.474 1.00 31.52 C ATOM 1013 CD1 TRP A 73 4.325 1.175 -11.448 1.00 61.01 C ATOM 1014 CD2 TRP A 73 3.523 1.240 -9.358 1.00 41.40 C ATOM 1015 NE1 TRP A 73 4.396 2.475 -11.012 1.00 51.01 N ATOM 1016 CE2 TRP A 73 3.913 2.539 -9.731 1.00 54.02 C ATOM 1017 CE3 TRP A 73 2.987 1.039 -8.082 1.00 32.40 C ATOM 1018 CZ2 TRP A 73 3.788 3.630 -8.875 1.00 40.03 C ATOM 1019 CZ3 TRP A 73 2.864 2.124 -7.232 1.00 61.22 C ATOM 1020 CH2 TRP A 73 3.263 3.405 -7.632 1.00 22.13 C ATOM 0 H TRP A 73 1.409 -0.876 -11.952 1.00 63.12 H new ATOM 0 HA TRP A 73 4.234 -1.335 -12.588 1.00 34.31 H new ATOM 0 HB2 TRP A 73 2.651 -1.345 -9.975 1.00 1.34 H new ATOM 0 HB3 TRP A 73 4.378 -1.623 -10.073 1.00 1.34 H new ATOM 0 HD1 TRP A 73 4.646 0.831 -12.420 1.00 61.01 H new ATOM 0 HE1 TRP A 73 4.750 3.264 -11.553 1.00 51.01 H new ATOM 0 HE3 TRP A 73 2.675 0.055 -7.766 1.00 32.40 H new ATOM 0 HZ2 TRP A 73 4.095 4.619 -9.182 1.00 40.03 H new ATOM 0 HZ3 TRP A 73 2.453 1.980 -6.244 1.00 61.22 H new ATOM 0 HH2 TRP A 73 3.154 4.232 -6.946 1.00 22.13 H new ATOM 1031 N GLY A 74 2.414 -3.769 -12.712 1.00 40.43 N ATOM 1032 CA GLY A 74 2.325 -5.230 -12.789 1.00 42.41 C ATOM 1033 C GLY A 74 1.690 -5.871 -11.553 1.00 10.12 C ATOM 1034 O GLY A 74 0.753 -5.320 -10.970 1.00 44.02 O ATOM 0 H GLY A 74 1.713 -3.270 -13.260 1.00 40.43 H new ATOM 0 HA2 GLY A 74 1.744 -5.504 -13.669 1.00 42.41 H new ATOM 0 HA3 GLY A 74 3.326 -5.640 -12.927 1.00 42.41 H new ATOM 1038 N ASN A 75 2.191 -7.045 -11.158 1.00 44.13 N ATOM 1039 CA ASN A 75 1.683 -7.741 -9.966 1.00 53.43 C ATOM 1040 C ASN A 75 2.015 -6.959 -8.685 1.00 2.32 C ATOM 1041 O ASN A 75 3.011 -6.238 -8.631 1.00 1.23 O ATOM 1042 CB ASN A 75 2.263 -9.157 -9.871 1.00 61.12 C ATOM 1043 CG ASN A 75 1.786 -10.063 -10.992 1.00 40.22 C ATOM 1044 OD1 ASN A 75 2.395 -10.138 -12.054 1.00 14.53 O ATOM 1045 ND2 ASN A 75 0.694 -10.764 -10.763 1.00 54.11 N ATOM 0 H ASN A 75 2.944 -7.534 -11.642 1.00 44.13 H new ATOM 0 HA ASN A 75 0.599 -7.808 -10.064 1.00 53.43 H new ATOM 0 HB2 ASN A 75 3.351 -9.101 -9.893 1.00 61.12 H new ATOM 0 HB3 ASN A 75 1.985 -9.595 -8.912 1.00 61.12 H new ATOM 0 HD21 ASN A 75 0.332 -11.392 -11.480 1.00 54.11 H new ATOM 0 HD22 ASN A 75 0.211 -10.678 -9.869 1.00 54.11 H new ATOM 1052 N ALA A 76 1.188 -7.125 -7.654 1.00 34.33 N ATOM 1053 CA ALA A 76 1.362 -6.399 -6.388 1.00 52.24 C ATOM 1054 C ALA A 76 2.783 -6.547 -5.814 1.00 43.15 C ATOM 1055 O ALA A 76 3.343 -5.589 -5.286 1.00 33.11 O ATOM 1056 CB ALA A 76 0.325 -6.866 -5.375 1.00 22.20 C ATOM 0 H ALA A 76 0.387 -7.757 -7.667 1.00 34.33 H new ATOM 0 HA ALA A 76 1.216 -5.339 -6.597 1.00 52.24 H new ATOM 0 HB1 ALA A 76 0.460 -6.323 -4.439 1.00 22.20 H new ATOM 0 HB2 ALA A 76 -0.675 -6.675 -5.764 1.00 22.20 H new ATOM 0 HB3 ALA A 76 0.447 -7.934 -5.196 1.00 22.20 H new ATOM 1062 N ASN A 77 3.372 -7.738 -5.935 1.00 44.21 N ATOM 1063 CA ASN A 77 4.734 -7.978 -5.431 1.00 62.34 C ATOM 1064 C ASN A 77 5.782 -7.079 -6.121 1.00 44.01 C ATOM 1065 O ASN A 77 6.835 -6.787 -5.554 1.00 23.33 O ATOM 1066 CB ASN A 77 5.125 -9.456 -5.589 1.00 51.11 C ATOM 1067 CG ASN A 77 4.975 -9.975 -7.012 1.00 55.22 C ATOM 1068 OD1 ASN A 77 4.979 -9.220 -7.977 1.00 35.31 O ATOM 1069 ND2 ASN A 77 4.866 -11.280 -7.155 1.00 45.33 N ATOM 0 H ASN A 77 2.935 -8.549 -6.373 1.00 44.21 H new ATOM 0 HA ASN A 77 4.724 -7.721 -4.372 1.00 62.34 H new ATOM 0 HB2 ASN A 77 6.159 -9.586 -5.270 1.00 51.11 H new ATOM 0 HB3 ASN A 77 4.508 -10.060 -4.924 1.00 51.11 H new ATOM 0 HD21 ASN A 77 4.782 -11.686 -8.087 1.00 45.33 H new ATOM 0 HD22 ASN A 77 4.866 -11.885 -6.334 1.00 45.33 H new ATOM 1076 N ASN A 78 5.492 -6.648 -7.346 1.00 25.11 N ATOM 1077 CA ASN A 78 6.421 -5.817 -8.120 1.00 4.55 C ATOM 1078 C ASN A 78 6.113 -4.317 -7.950 1.00 43.25 C ATOM 1079 O ASN A 78 6.865 -3.467 -8.421 1.00 41.50 O ATOM 1080 CB ASN A 78 6.349 -6.219 -9.601 1.00 1.25 C ATOM 1081 CG ASN A 78 7.402 -5.540 -10.461 1.00 25.22 C ATOM 1082 OD1 ASN A 78 8.531 -6.009 -10.571 1.00 22.44 O ATOM 1083 ND2 ASN A 78 7.039 -4.447 -11.096 1.00 33.23 N ATOM 0 H ASN A 78 4.619 -6.859 -7.829 1.00 25.11 H new ATOM 0 HA ASN A 78 7.431 -5.984 -7.746 1.00 4.55 H new ATOM 0 HB2 ASN A 78 6.465 -7.300 -9.683 1.00 1.25 H new ATOM 0 HB3 ASN A 78 5.360 -5.974 -9.989 1.00 1.25 H new ATOM 0 HD21 ASN A 78 7.703 -3.964 -11.701 1.00 33.23 H new ATOM 0 HD22 ASN A 78 6.093 -4.082 -10.984 1.00 33.23 H new ATOM 1090 N TRP A 79 5.020 -3.998 -7.256 1.00 34.44 N ATOM 1091 CA TRP A 79 4.600 -2.599 -7.061 1.00 24.14 C ATOM 1092 C TRP A 79 5.710 -1.736 -6.438 1.00 31.33 C ATOM 1093 O TRP A 79 6.106 -0.718 -7.004 1.00 52.01 O ATOM 1094 CB TRP A 79 3.328 -2.540 -6.195 1.00 50.30 C ATOM 1095 CG TRP A 79 2.062 -2.435 -6.996 1.00 23.31 C ATOM 1096 CD1 TRP A 79 1.749 -3.113 -8.138 1.00 45.02 C ATOM 1097 CD2 TRP A 79 0.939 -1.594 -6.704 1.00 33.01 C ATOM 1098 NE1 TRP A 79 0.508 -2.732 -8.585 1.00 75.32 N ATOM 1099 CE2 TRP A 79 -0.011 -1.802 -7.720 1.00 32.51 C ATOM 1100 CE3 TRP A 79 0.646 -0.681 -5.683 1.00 54.42 C ATOM 1101 CZ2 TRP A 79 -1.231 -1.133 -7.744 1.00 20.10 C ATOM 1102 CZ3 TRP A 79 -0.566 -0.017 -5.710 1.00 11.02 C ATOM 1103 CH2 TRP A 79 -1.492 -0.246 -6.736 1.00 22.41 C ATOM 0 H TRP A 79 4.406 -4.685 -6.818 1.00 34.44 H new ATOM 0 HA TRP A 79 4.387 -2.186 -8.047 1.00 24.14 H new ATOM 0 HB2 TRP A 79 3.281 -3.433 -5.571 1.00 50.30 H new ATOM 0 HB3 TRP A 79 3.395 -1.685 -5.523 1.00 50.30 H new ATOM 0 HD1 TRP A 79 2.384 -3.842 -8.619 1.00 45.02 H new ATOM 0 HE1 TRP A 79 0.047 -3.083 -9.424 1.00 75.32 H new ATOM 0 HE3 TRP A 79 1.355 -0.499 -4.889 1.00 54.42 H new ATOM 0 HZ2 TRP A 79 -1.948 -1.308 -8.532 1.00 20.10 H new ATOM 0 HZ3 TRP A 79 -0.803 0.689 -4.928 1.00 11.02 H new ATOM 0 HH2 TRP A 79 -2.431 0.288 -6.731 1.00 22.41 H new ATOM 1114 N ALA A 80 6.211 -2.149 -5.277 1.00 24.11 N ATOM 1115 CA ALA A 80 7.276 -1.405 -4.590 1.00 62.34 C ATOM 1116 C ALA A 80 8.560 -1.333 -5.434 1.00 55.24 C ATOM 1117 O ALA A 80 9.222 -0.293 -5.492 1.00 24.24 O ATOM 1118 CB ALA A 80 7.569 -2.034 -3.235 1.00 44.31 C ATOM 0 H ALA A 80 5.902 -2.990 -4.790 1.00 24.11 H new ATOM 0 HA ALA A 80 6.922 -0.385 -4.443 1.00 62.34 H new ATOM 0 HB1 ALA A 80 8.360 -1.473 -2.737 1.00 44.31 H new ATOM 0 HB2 ALA A 80 6.668 -2.014 -2.622 1.00 44.31 H new ATOM 0 HB3 ALA A 80 7.889 -3.066 -3.375 1.00 44.31 H new ATOM 1124 N SER A 81 8.905 -2.445 -6.085 1.00 62.11 N ATOM 1125 CA SER A 81 10.094 -2.507 -6.950 1.00 72.51 C ATOM 1126 C SER A 81 9.956 -1.590 -8.176 1.00 32.42 C ATOM 1127 O SER A 81 10.931 -0.990 -8.628 1.00 43.34 O ATOM 1128 CB SER A 81 10.348 -3.953 -7.407 1.00 70.33 C ATOM 1129 OG SER A 81 10.539 -4.819 -6.295 1.00 44.32 O ATOM 0 H SER A 81 8.380 -3.318 -6.032 1.00 62.11 H new ATOM 0 HA SER A 81 10.943 -2.157 -6.362 1.00 72.51 H new ATOM 0 HB2 SER A 81 9.504 -4.302 -8.002 1.00 70.33 H new ATOM 0 HB3 SER A 81 11.227 -3.984 -8.051 1.00 70.33 H new ATOM 0 HG SER A 81 10.697 -5.732 -6.615 1.00 44.32 H new ATOM 1135 N ALA A 82 8.740 -1.477 -8.707 1.00 53.35 N ATOM 1136 CA ALA A 82 8.484 -0.632 -9.877 1.00 51.43 C ATOM 1137 C ALA A 82 8.418 0.857 -9.497 1.00 72.25 C ATOM 1138 O ALA A 82 9.012 1.701 -10.170 1.00 12.04 O ATOM 1139 CB ALA A 82 7.198 -1.064 -10.568 1.00 24.44 C ATOM 0 H ALA A 82 7.916 -1.959 -8.348 1.00 53.35 H new ATOM 0 HA ALA A 82 9.317 -0.758 -10.568 1.00 51.43 H new ATOM 0 HB1 ALA A 82 7.020 -0.428 -11.435 1.00 24.44 H new ATOM 0 HB2 ALA A 82 7.289 -2.101 -10.891 1.00 24.44 H new ATOM 0 HB3 ALA A 82 6.363 -0.972 -9.873 1.00 24.44 H new ATOM 1145 N ALA A 83 7.690 1.168 -8.421 1.00 30.23 N ATOM 1146 CA ALA A 83 7.578 2.545 -7.911 1.00 75.22 C ATOM 1147 C ALA A 83 8.957 3.174 -7.668 1.00 50.11 C ATOM 1148 O ALA A 83 9.275 4.233 -8.212 1.00 21.23 O ATOM 1149 CB ALA A 83 6.753 2.564 -6.629 1.00 11.42 C ATOM 0 H ALA A 83 7.164 0.482 -7.880 1.00 30.23 H new ATOM 0 HA ALA A 83 7.074 3.142 -8.671 1.00 75.22 H new ATOM 0 HB1 ALA A 83 6.677 3.587 -6.261 1.00 11.42 H new ATOM 0 HB2 ALA A 83 5.755 2.176 -6.833 1.00 11.42 H new ATOM 0 HB3 ALA A 83 7.237 1.942 -5.876 1.00 11.42 H new ATOM 1155 N SER A 84 9.778 2.501 -6.862 1.00 32.34 N ATOM 1156 CA SER A 84 11.143 2.964 -6.566 1.00 62.01 C ATOM 1157 C SER A 84 11.964 3.137 -7.852 1.00 52.40 C ATOM 1158 O SER A 84 12.585 4.179 -8.073 1.00 72.30 O ATOM 1159 CB SER A 84 11.846 1.970 -5.629 1.00 61.53 C ATOM 1160 OG SER A 84 11.822 0.655 -6.167 1.00 3.54 O ATOM 0 H SER A 84 9.524 1.629 -6.398 1.00 32.34 H new ATOM 0 HA SER A 84 11.069 3.935 -6.076 1.00 62.01 H new ATOM 0 HB2 SER A 84 12.878 2.283 -5.471 1.00 61.53 H new ATOM 0 HB3 SER A 84 11.358 1.977 -4.654 1.00 61.53 H new ATOM 0 HG SER A 84 10.954 0.241 -5.980 1.00 3.54 H new ATOM 1166 N SER A 85 11.947 2.114 -8.707 1.00 31.34 N ATOM 1167 CA SER A 85 12.661 2.158 -9.998 1.00 3.53 C ATOM 1168 C SER A 85 12.071 3.211 -10.955 1.00 13.41 C ATOM 1169 O SER A 85 12.697 3.580 -11.952 1.00 51.41 O ATOM 1170 CB SER A 85 12.637 0.774 -10.668 1.00 32.22 C ATOM 1171 OG SER A 85 13.337 0.779 -11.907 1.00 32.13 O ATOM 0 H SER A 85 11.448 1.241 -8.535 1.00 31.34 H new ATOM 0 HA SER A 85 13.691 2.445 -9.785 1.00 3.53 H new ATOM 0 HB2 SER A 85 13.084 0.038 -10.000 1.00 32.22 H new ATOM 0 HB3 SER A 85 11.604 0.468 -10.834 1.00 32.22 H new ATOM 0 HG SER A 85 13.457 1.703 -12.211 1.00 32.13 H new ATOM 1177 N ALA A 86 10.862 3.689 -10.657 1.00 73.25 N ATOM 1178 CA ALA A 86 10.222 4.748 -11.450 1.00 22.22 C ATOM 1179 C ALA A 86 10.475 6.140 -10.847 1.00 24.24 C ATOM 1180 O ALA A 86 9.951 7.148 -11.334 1.00 55.24 O ATOM 1181 CB ALA A 86 8.723 4.488 -11.556 1.00 34.43 C ATOM 0 H ALA A 86 10.302 3.360 -9.870 1.00 73.25 H new ATOM 0 HA ALA A 86 10.664 4.732 -12.446 1.00 22.22 H new ATOM 0 HB1 ALA A 86 8.257 5.278 -12.145 1.00 34.43 H new ATOM 0 HB2 ALA A 86 8.554 3.526 -12.040 1.00 34.43 H new ATOM 0 HB3 ALA A 86 8.285 4.474 -10.558 1.00 34.43 H new ATOM 1187 N GLY A 87 11.269 6.186 -9.777 1.00 74.14 N ATOM 1188 CA GLY A 87 11.597 7.454 -9.129 1.00 75.11 C ATOM 1189 C GLY A 87 10.669 7.807 -7.967 1.00 2.11 C ATOM 1190 O GLY A 87 10.881 8.808 -7.279 1.00 21.21 O ATOM 0 H GLY A 87 11.694 5.366 -9.344 1.00 74.14 H new ATOM 0 HA2 GLY A 87 12.623 7.410 -8.763 1.00 75.11 H new ATOM 0 HA3 GLY A 87 11.557 8.252 -9.870 1.00 75.11 H new ATOM 1194 N TYR A 88 9.641 6.986 -7.747 1.00 70.15 N ATOM 1195 CA TYR A 88 8.689 7.213 -6.654 1.00 23.31 C ATOM 1196 C TYR A 88 9.295 6.841 -5.290 1.00 12.11 C ATOM 1197 O TYR A 88 10.359 6.228 -5.206 1.00 24.02 O ATOM 1198 CB TYR A 88 7.390 6.429 -6.897 1.00 51.43 C ATOM 1199 CG TYR A 88 6.482 7.061 -7.941 1.00 71.24 C ATOM 1200 CD1 TYR A 88 6.775 6.979 -9.300 1.00 43.32 C ATOM 1201 CD2 TYR A 88 5.336 7.755 -7.561 1.00 31.25 C ATOM 1202 CE1 TYR A 88 5.951 7.568 -10.246 1.00 41.25 C ATOM 1203 CE2 TYR A 88 4.513 8.346 -8.500 1.00 12.23 C ATOM 1204 CZ TYR A 88 4.823 8.249 -9.840 1.00 45.12 C ATOM 1205 OH TYR A 88 4.005 8.848 -10.776 1.00 25.54 O ATOM 0 H TYR A 88 9.445 6.158 -8.310 1.00 70.15 H new ATOM 0 HA TYR A 88 8.457 8.278 -6.635 1.00 23.31 H new ATOM 0 HB2 TYR A 88 7.641 5.416 -7.211 1.00 51.43 H new ATOM 0 HB3 TYR A 88 6.845 6.345 -5.957 1.00 51.43 H new ATOM 0 HD1 TYR A 88 7.659 6.448 -9.622 1.00 43.32 H new ATOM 0 HD2 TYR A 88 5.086 7.833 -6.513 1.00 31.25 H new ATOM 0 HE1 TYR A 88 6.191 7.494 -11.296 1.00 41.25 H new ATOM 0 HE2 TYR A 88 3.630 8.882 -8.186 1.00 12.23 H new ATOM 0 HH TYR A 88 3.254 9.285 -10.322 1.00 25.54 H new ATOM 1215 N THR A 89 8.587 7.195 -4.225 1.00 22.14 N ATOM 1216 CA THR A 89 9.128 7.096 -2.863 1.00 44.30 C ATOM 1217 C THR A 89 8.637 5.841 -2.130 1.00 24.01 C ATOM 1218 O THR A 89 7.540 5.820 -1.573 1.00 73.44 O ATOM 1219 CB THR A 89 8.760 8.350 -2.029 1.00 73.30 C ATOM 1220 OG1 THR A 89 9.249 9.536 -2.678 1.00 1.53 O ATOM 1221 CG2 THR A 89 9.330 8.275 -0.616 1.00 12.33 C ATOM 0 H THR A 89 7.634 7.555 -4.272 1.00 22.14 H new ATOM 0 HA THR A 89 10.211 7.028 -2.967 1.00 44.30 H new ATOM 0 HB THR A 89 7.673 8.388 -1.957 1.00 73.30 H new ATOM 0 HG1 THR A 89 9.010 10.323 -2.145 1.00 1.53 H new ATOM 0 HG21 THR A 89 9.051 9.172 -0.063 1.00 12.33 H new ATOM 0 HG22 THR A 89 8.931 7.397 -0.109 1.00 12.33 H new ATOM 0 HG23 THR A 89 10.416 8.203 -0.665 1.00 12.33 H new ATOM 1229 N VAL A 90 9.455 4.794 -2.140 1.00 64.41 N ATOM 1230 CA VAL A 90 9.146 3.563 -1.408 1.00 4.12 C ATOM 1231 C VAL A 90 9.957 3.488 -0.105 1.00 53.10 C ATOM 1232 O VAL A 90 11.096 3.016 -0.089 1.00 52.42 O ATOM 1233 CB VAL A 90 9.420 2.304 -2.270 1.00 31.41 C ATOM 1234 CG1 VAL A 90 9.073 1.028 -1.503 1.00 1.12 C ATOM 1235 CG2 VAL A 90 8.646 2.375 -3.586 1.00 53.24 C ATOM 0 H VAL A 90 10.340 4.770 -2.647 1.00 64.41 H new ATOM 0 HA VAL A 90 8.083 3.587 -1.167 1.00 4.12 H new ATOM 0 HB VAL A 90 10.485 2.276 -2.500 1.00 31.41 H new ATOM 0 HG11 VAL A 90 9.275 0.160 -2.131 1.00 1.12 H new ATOM 0 HG12 VAL A 90 9.679 0.971 -0.599 1.00 1.12 H new ATOM 0 HG13 VAL A 90 8.017 1.042 -1.232 1.00 1.12 H new ATOM 0 HG21 VAL A 90 8.851 1.483 -4.177 1.00 53.24 H new ATOM 0 HG22 VAL A 90 7.578 2.434 -3.377 1.00 53.24 H new ATOM 0 HG23 VAL A 90 8.956 3.259 -4.143 1.00 53.24 H new ATOM 1245 N ASN A 91 9.371 3.988 0.981 1.00 75.35 N ATOM 1246 CA ASN A 91 10.030 3.992 2.291 1.00 21.20 C ATOM 1247 C ASN A 91 9.212 3.191 3.311 1.00 61.24 C ATOM 1248 O ASN A 91 7.986 3.312 3.374 1.00 41.35 O ATOM 1249 CB ASN A 91 10.232 5.427 2.799 1.00 43.14 C ATOM 1250 CG ASN A 91 11.195 6.238 1.939 1.00 2.13 C ATOM 1251 OD1 ASN A 91 11.251 6.090 0.722 1.00 43.22 O ATOM 1252 ND2 ASN A 91 11.979 7.089 2.568 1.00 1.14 N ATOM 0 H ASN A 91 8.437 4.398 0.982 1.00 75.35 H new ATOM 0 HA ASN A 91 11.007 3.522 2.173 1.00 21.20 H new ATOM 0 HB2 ASN A 91 9.268 5.934 2.830 1.00 43.14 H new ATOM 0 HB3 ASN A 91 10.608 5.394 3.822 1.00 43.14 H new ATOM 0 HD21 ASN A 91 12.654 7.645 2.043 1.00 1.14 H new ATOM 0 HD22 ASN A 91 11.911 7.192 3.581 1.00 1.14 H new ATOM 1259 N ASN A 92 9.896 2.404 4.136 1.00 23.30 N ATOM 1260 CA ASN A 92 9.231 1.467 5.054 1.00 12.02 C ATOM 1261 C ASN A 92 8.621 2.151 6.295 1.00 44.13 C ATOM 1262 O ASN A 92 8.251 1.473 7.257 1.00 52.41 O ATOM 1263 CB ASN A 92 10.212 0.370 5.480 1.00 24.25 C ATOM 1264 CG ASN A 92 10.689 -0.453 4.299 1.00 12.31 C ATOM 1265 OD1 ASN A 92 11.691 -0.134 3.665 1.00 2.31 O ATOM 1266 ND2 ASN A 92 9.971 -1.511 3.984 1.00 0.33 N ATOM 0 H ASN A 92 10.914 2.392 4.192 1.00 23.30 H new ATOM 0 HA ASN A 92 8.396 1.031 4.505 1.00 12.02 H new ATOM 0 HB2 ASN A 92 11.070 0.823 5.977 1.00 24.25 H new ATOM 0 HB3 ASN A 92 9.731 -0.284 6.208 1.00 24.25 H new ATOM 0 HD21 ASN A 92 10.242 -2.094 3.192 1.00 0.33 H new ATOM 0 HD22 ASN A 92 9.144 -1.748 4.532 1.00 0.33 H new ATOM 1273 N SER A 93 8.512 3.481 6.276 1.00 34.01 N ATOM 1274 CA SER A 93 7.770 4.204 7.323 1.00 20.11 C ATOM 1275 C SER A 93 6.277 3.849 7.250 1.00 50.12 C ATOM 1276 O SER A 93 5.603 4.190 6.277 1.00 24.10 O ATOM 1277 CB SER A 93 7.948 5.726 7.190 1.00 71.13 C ATOM 1278 OG SER A 93 9.255 6.131 7.564 1.00 12.15 O ATOM 0 H SER A 93 8.921 4.078 5.558 1.00 34.01 H new ATOM 0 HA SER A 93 8.173 3.898 8.289 1.00 20.11 H new ATOM 0 HB2 SER A 93 7.753 6.028 6.161 1.00 71.13 H new ATOM 0 HB3 SER A 93 7.215 6.235 7.816 1.00 71.13 H new ATOM 0 HG SER A 93 9.337 7.103 7.467 1.00 12.15 H new ATOM 1284 N PRO A 94 5.737 3.170 8.281 1.00 23.34 N ATOM 1285 CA PRO A 94 4.362 2.632 8.256 1.00 55.25 C ATOM 1286 C PRO A 94 3.265 3.668 8.555 1.00 14.51 C ATOM 1287 O PRO A 94 2.160 3.299 8.943 1.00 23.11 O ATOM 1288 CB PRO A 94 4.403 1.580 9.367 1.00 50.10 C ATOM 1289 CG PRO A 94 5.378 2.120 10.356 1.00 14.51 C ATOM 1290 CD PRO A 94 6.422 2.860 9.555 1.00 42.13 C ATOM 0 HA PRO A 94 4.103 2.261 7.264 1.00 55.25 H new ATOM 0 HB2 PRO A 94 3.420 1.438 9.816 1.00 50.10 H new ATOM 0 HB3 PRO A 94 4.722 0.610 8.984 1.00 50.10 H new ATOM 0 HG2 PRO A 94 4.886 2.786 11.064 1.00 14.51 H new ATOM 0 HG3 PRO A 94 5.830 1.316 10.936 1.00 14.51 H new ATOM 0 HD2 PRO A 94 6.748 3.767 10.064 1.00 42.13 H new ATOM 0 HD3 PRO A 94 7.310 2.248 9.393 1.00 42.13 H new ATOM 1298 N GLU A 95 3.558 4.951 8.358 1.00 24.32 N ATOM 1299 CA GLU A 95 2.597 6.018 8.678 1.00 41.33 C ATOM 1300 C GLU A 95 1.449 6.109 7.657 1.00 44.23 C ATOM 1301 O GLU A 95 1.556 5.637 6.522 1.00 71.34 O ATOM 1302 CB GLU A 95 3.319 7.366 8.796 1.00 62.43 C ATOM 1303 CG GLU A 95 4.264 7.440 9.989 1.00 24.24 C ATOM 1304 CD GLU A 95 4.920 8.802 10.146 1.00 1.20 C ATOM 1305 OE1 GLU A 95 4.292 9.706 10.737 1.00 21.41 O ATOM 1306 OE2 GLU A 95 6.073 8.970 9.693 1.00 52.41 O ATOM 0 H GLU A 95 4.446 5.282 7.981 1.00 24.32 H new ATOM 0 HA GLU A 95 2.146 5.764 9.637 1.00 41.33 H new ATOM 0 HB2 GLU A 95 3.884 7.549 7.882 1.00 62.43 H new ATOM 0 HB3 GLU A 95 2.578 8.161 8.878 1.00 62.43 H new ATOM 0 HG2 GLU A 95 3.711 7.203 10.898 1.00 24.24 H new ATOM 0 HG3 GLU A 95 5.038 6.681 9.879 1.00 24.24 H new ATOM 1313 N ALA A 96 0.352 6.736 8.086 1.00 0.24 N ATOM 1314 CA ALA A 96 -0.875 6.833 7.284 1.00 75.41 C ATOM 1315 C ALA A 96 -0.661 7.548 5.937 1.00 64.03 C ATOM 1316 O ALA A 96 0.328 8.257 5.736 1.00 3.22 O ATOM 1317 CB ALA A 96 -1.958 7.542 8.088 1.00 52.12 C ATOM 0 H ALA A 96 0.286 7.191 8.997 1.00 0.24 H new ATOM 0 HA ALA A 96 -1.186 5.815 7.050 1.00 75.41 H new ATOM 0 HB1 ALA A 96 -2.867 7.613 7.491 1.00 52.12 H new ATOM 0 HB2 ALA A 96 -2.164 6.978 8.997 1.00 52.12 H new ATOM 0 HB3 ALA A 96 -1.618 8.544 8.352 1.00 52.12 H new ATOM 1323 N GLY A 97 -1.609 7.359 5.022 1.00 64.33 N ATOM 1324 CA GLY A 97 -1.522 7.982 3.705 1.00 54.22 C ATOM 1325 C GLY A 97 -0.489 7.317 2.802 1.00 0.14 C ATOM 1326 O GLY A 97 0.259 7.990 2.091 1.00 45.32 O ATOM 0 H GLY A 97 -2.439 6.784 5.167 1.00 64.33 H new ATOM 0 HA2 GLY A 97 -2.499 7.940 3.223 1.00 54.22 H new ATOM 0 HA3 GLY A 97 -1.270 9.036 3.823 1.00 54.22 H new ATOM 1330 N SER A 98 -0.436 5.990 2.841 1.00 32.40 N ATOM 1331 CA SER A 98 0.507 5.222 2.017 1.00 30.13 C ATOM 1332 C SER A 98 -0.040 3.825 1.709 1.00 24.22 C ATOM 1333 O SER A 98 -1.022 3.387 2.304 1.00 61.01 O ATOM 1334 CB SER A 98 1.867 5.098 2.722 1.00 65.20 C ATOM 1335 OG SER A 98 1.771 4.342 3.920 1.00 33.15 O ATOM 0 H SER A 98 -1.035 5.417 3.435 1.00 32.40 H new ATOM 0 HA SER A 98 0.638 5.761 1.079 1.00 30.13 H new ATOM 0 HB2 SER A 98 2.583 4.625 2.050 1.00 65.20 H new ATOM 0 HB3 SER A 98 2.251 6.092 2.949 1.00 65.20 H new ATOM 0 HG SER A 98 1.709 4.950 4.686 1.00 33.15 H new ATOM 1341 N ILE A 99 0.591 3.133 0.763 1.00 1.22 N ATOM 1342 CA ILE A 99 0.196 1.761 0.408 1.00 3.12 C ATOM 1343 C ILE A 99 1.298 0.768 0.806 1.00 72.50 C ATOM 1344 O ILE A 99 2.440 0.904 0.368 1.00 10.24 O ATOM 1345 CB ILE A 99 -0.083 1.603 -1.118 1.00 1.15 C ATOM 1346 CG1 ILE A 99 -1.147 2.609 -1.612 1.00 53.42 C ATOM 1347 CG2 ILE A 99 -0.517 0.171 -1.435 1.00 60.14 C ATOM 1348 CD1 ILE A 99 -0.632 4.025 -1.788 1.00 42.21 C ATOM 0 H ILE A 99 1.379 3.495 0.225 1.00 1.22 H new ATOM 0 HA ILE A 99 -0.724 1.550 0.953 1.00 3.12 H new ATOM 0 HB ILE A 99 0.846 1.818 -1.647 1.00 1.15 H new ATOM 0 HG12 ILE A 99 -1.547 2.259 -2.564 1.00 53.42 H new ATOM 0 HG13 ILE A 99 -1.975 2.621 -0.904 1.00 53.42 H new ATOM 0 HG21 ILE A 99 -0.708 0.077 -2.504 1.00 60.14 H new ATOM 0 HG22 ILE A 99 0.273 -0.521 -1.145 1.00 60.14 H new ATOM 0 HG23 ILE A 99 -1.426 -0.065 -0.882 1.00 60.14 H new ATOM 0 HD11 ILE A 99 -1.442 4.666 -2.137 1.00 42.21 H new ATOM 0 HD12 ILE A 99 -0.259 4.398 -0.834 1.00 42.21 H new ATOM 0 HD13 ILE A 99 0.176 4.030 -2.520 1.00 42.21 H new ATOM 1360 N LEU A 100 0.965 -0.227 1.631 1.00 23.41 N ATOM 1361 CA LEU A 100 1.959 -1.233 2.036 1.00 3.14 C ATOM 1362 C LEU A 100 2.029 -2.378 1.012 1.00 3.12 C ATOM 1363 O LEU A 100 1.006 -2.837 0.498 1.00 23.30 O ATOM 1364 CB LEU A 100 1.672 -1.783 3.451 1.00 41.24 C ATOM 1365 CG LEU A 100 0.618 -2.898 3.574 1.00 64.01 C ATOM 1366 CD1 LEU A 100 0.510 -3.373 5.022 1.00 0.42 C ATOM 1367 CD2 LEU A 100 -0.741 -2.434 3.068 1.00 61.42 C ATOM 0 H LEU A 100 0.035 -0.360 2.027 1.00 23.41 H new ATOM 0 HA LEU A 100 2.929 -0.737 2.066 1.00 3.14 H new ATOM 0 HB2 LEU A 100 2.609 -2.157 3.864 1.00 41.24 H new ATOM 0 HB3 LEU A 100 1.357 -0.950 4.079 1.00 41.24 H new ATOM 0 HG LEU A 100 0.942 -3.732 2.952 1.00 64.01 H new ATOM 0 HD11 LEU A 100 -0.240 -4.161 5.091 1.00 0.42 H new ATOM 0 HD12 LEU A 100 1.475 -3.759 5.351 1.00 0.42 H new ATOM 0 HD13 LEU A 100 0.218 -2.538 5.658 1.00 0.42 H new ATOM 0 HD21 LEU A 100 -1.463 -3.245 3.169 1.00 61.42 H new ATOM 0 HD22 LEU A 100 -1.074 -1.577 3.653 1.00 61.42 H new ATOM 0 HD23 LEU A 100 -0.661 -2.148 2.019 1.00 61.42 H new ATOM 1379 N GLN A 101 3.243 -2.824 0.708 1.00 54.04 N ATOM 1380 CA GLN A 101 3.461 -3.876 -0.287 1.00 41.22 C ATOM 1381 C GLN A 101 3.982 -5.158 0.387 1.00 63.15 C ATOM 1382 O GLN A 101 5.123 -5.202 0.862 1.00 11.13 O ATOM 1383 CB GLN A 101 4.449 -3.364 -1.353 1.00 25.04 C ATOM 1384 CG GLN A 101 4.375 -4.082 -2.699 1.00 53.13 C ATOM 1385 CD GLN A 101 4.982 -5.475 -2.684 1.00 51.02 C ATOM 1386 OE1 GLN A 101 4.310 -6.456 -2.403 1.00 14.22 O ATOM 1387 NE2 GLN A 101 6.257 -5.573 -3.002 1.00 15.22 N ATOM 0 H GLN A 101 4.099 -2.473 1.138 1.00 54.04 H new ATOM 0 HA GLN A 101 2.516 -4.124 -0.771 1.00 41.22 H new ATOM 0 HB2 GLN A 101 4.268 -2.301 -1.514 1.00 25.04 H new ATOM 0 HB3 GLN A 101 5.462 -3.459 -0.963 1.00 25.04 H new ATOM 0 HG2 GLN A 101 3.331 -4.154 -3.005 1.00 53.13 H new ATOM 0 HG3 GLN A 101 4.887 -3.480 -3.450 1.00 53.13 H new ATOM 0 HE21 GLN A 101 6.791 -4.735 -3.232 1.00 15.22 H new ATOM 0 HE22 GLN A 101 6.710 -6.487 -3.018 1.00 15.22 H new ATOM 1396 N SER A 102 3.134 -6.187 0.436 1.00 12.14 N ATOM 1397 CA SER A 102 3.480 -7.473 1.064 1.00 54.04 C ATOM 1398 C SER A 102 3.744 -8.558 0.013 1.00 73.12 C ATOM 1399 O SER A 102 2.963 -8.730 -0.924 1.00 74.33 O ATOM 1400 CB SER A 102 2.354 -7.937 1.997 1.00 1.23 C ATOM 1401 OG SER A 102 2.654 -9.199 2.579 1.00 51.43 O ATOM 0 H SER A 102 2.192 -6.158 0.045 1.00 12.14 H new ATOM 0 HA SER A 102 4.392 -7.317 1.640 1.00 54.04 H new ATOM 0 HB2 SER A 102 2.203 -7.198 2.784 1.00 1.23 H new ATOM 0 HB3 SER A 102 1.420 -8.004 1.439 1.00 1.23 H new ATOM 0 HG SER A 102 3.158 -9.065 3.409 1.00 51.43 H new ATOM 1466 N GLY A 108 1.778 -11.411 -4.159 1.00 54.43 N ATOM 1467 CA GLY A 108 1.860 -10.063 -3.625 1.00 74.10 C ATOM 1468 C GLY A 108 0.501 -9.486 -3.261 1.00 2.33 C ATOM 1469 O GLY A 108 -0.521 -9.837 -3.859 1.00 44.14 O ATOM 0 HA2 GLY A 108 2.496 -10.067 -2.740 1.00 74.10 H new ATOM 0 HA3 GLY A 108 2.339 -9.415 -4.359 1.00 74.10 H new ATOM 1473 N HIS A 109 0.484 -8.583 -2.290 1.00 74.11 N ATOM 1474 CA HIS A 109 -0.756 -7.949 -1.850 1.00 43.43 C ATOM 1475 C HIS A 109 -0.508 -6.519 -1.351 1.00 34.45 C ATOM 1476 O HIS A 109 0.516 -6.237 -0.727 1.00 1.10 O ATOM 1477 CB HIS A 109 -1.416 -8.783 -0.747 1.00 35.54 C ATOM 1478 CG HIS A 109 -2.671 -8.171 -0.217 1.00 73.24 C ATOM 1479 ND1 HIS A 109 -3.748 -7.938 -1.038 1.00 20.13 N ATOM 1480 CD2 HIS A 109 -2.963 -7.738 1.033 1.00 53.12 C ATOM 1481 CE1 HIS A 109 -4.664 -7.368 -0.272 1.00 45.01 C ATOM 1482 NE2 HIS A 109 -4.231 -7.230 0.988 1.00 61.41 N ATOM 0 H HIS A 109 1.316 -8.271 -1.789 1.00 74.11 H new ATOM 0 HA HIS A 109 -1.425 -7.895 -2.709 1.00 43.43 H new ATOM 0 HB2 HIS A 109 -1.640 -9.776 -1.136 1.00 35.54 H new ATOM 0 HB3 HIS A 109 -0.709 -8.914 0.072 1.00 35.54 H new ATOM 0 HD1 HIS A 109 -3.825 -8.158 -2.031 1.00 20.13 H new ATOM 0 HD2 HIS A 109 -2.318 -7.785 1.898 1.00 53.12 H new ATOM 0 HE1 HIS A 109 -5.637 -7.054 -0.619 1.00 45.01 H new ATOM 1490 N VAL A 110 -1.457 -5.626 -1.628 1.00 20.45 N ATOM 1491 CA VAL A 110 -1.350 -4.219 -1.226 1.00 53.31 C ATOM 1492 C VAL A 110 -2.656 -3.710 -0.591 1.00 14.14 C ATOM 1493 O VAL A 110 -3.741 -4.223 -0.871 1.00 50.44 O ATOM 1494 CB VAL A 110 -0.988 -3.304 -2.429 1.00 3.23 C ATOM 1495 CG1 VAL A 110 0.392 -3.649 -2.988 1.00 72.12 C ATOM 1496 CG2 VAL A 110 -2.052 -3.397 -3.522 1.00 35.02 C ATOM 0 H VAL A 110 -2.315 -5.851 -2.132 1.00 20.45 H new ATOM 0 HA VAL A 110 -0.550 -4.173 -0.488 1.00 53.31 H new ATOM 0 HB VAL A 110 -0.957 -2.276 -2.068 1.00 3.23 H new ATOM 0 HG11 VAL A 110 0.619 -2.993 -3.828 1.00 72.12 H new ATOM 0 HG12 VAL A 110 1.144 -3.515 -2.210 1.00 72.12 H new ATOM 0 HG13 VAL A 110 0.399 -4.686 -3.325 1.00 72.12 H new ATOM 0 HG21 VAL A 110 -1.777 -2.748 -4.354 1.00 35.02 H new ATOM 0 HG22 VAL A 110 -2.124 -4.426 -3.873 1.00 35.02 H new ATOM 0 HG23 VAL A 110 -3.015 -3.083 -3.120 1.00 35.02 H new ATOM 1506 N ALA A 111 -2.534 -2.697 0.266 1.00 34.35 N ATOM 1507 CA ALA A 111 -3.691 -2.045 0.898 1.00 4.43 C ATOM 1508 C ALA A 111 -3.336 -0.612 1.327 1.00 73.14 C ATOM 1509 O ALA A 111 -2.160 -0.272 1.478 1.00 13.42 O ATOM 1510 CB ALA A 111 -4.192 -2.865 2.088 1.00 52.41 C ATOM 0 H ALA A 111 -1.635 -2.303 0.544 1.00 34.35 H new ATOM 0 HA ALA A 111 -4.496 -1.990 0.166 1.00 4.43 H new ATOM 0 HB1 ALA A 111 -5.048 -2.364 2.540 1.00 52.41 H new ATOM 0 HB2 ALA A 111 -4.490 -3.856 1.747 1.00 52.41 H new ATOM 0 HB3 ALA A 111 -3.395 -2.960 2.826 1.00 52.41 H new ATOM 1516 N TYR A 112 -4.348 0.230 1.518 1.00 3.10 N ATOM 1517 CA TYR A 112 -4.118 1.641 1.852 1.00 64.11 C ATOM 1518 C TYR A 112 -4.172 1.880 3.369 1.00 3.52 C ATOM 1519 O TYR A 112 -5.145 1.520 4.034 1.00 21.25 O ATOM 1520 CB TYR A 112 -5.148 2.522 1.134 1.00 54.01 C ATOM 1521 CG TYR A 112 -4.925 4.014 1.319 1.00 1.32 C ATOM 1522 CD1 TYR A 112 -3.981 4.697 0.559 1.00 13.42 C ATOM 1523 CD2 TYR A 112 -5.662 4.739 2.249 1.00 5.35 C ATOM 1524 CE1 TYR A 112 -3.781 6.057 0.722 1.00 43.13 C ATOM 1525 CE2 TYR A 112 -5.466 6.095 2.417 1.00 61.21 C ATOM 1526 CZ TYR A 112 -4.525 6.750 1.652 1.00 42.12 C ATOM 1527 OH TYR A 112 -4.336 8.106 1.818 1.00 2.23 O ATOM 0 H TYR A 112 -5.331 -0.034 1.449 1.00 3.10 H new ATOM 0 HA TYR A 112 -3.117 1.909 1.514 1.00 64.11 H new ATOM 0 HB2 TYR A 112 -5.127 2.292 0.069 1.00 54.01 H new ATOM 0 HB3 TYR A 112 -6.144 2.267 1.496 1.00 54.01 H new ATOM 0 HD1 TYR A 112 -3.395 4.157 -0.170 1.00 13.42 H new ATOM 0 HD2 TYR A 112 -6.401 4.232 2.851 1.00 5.35 H new ATOM 0 HE1 TYR A 112 -3.045 6.573 0.123 1.00 43.13 H new ATOM 0 HE2 TYR A 112 -6.048 6.641 3.145 1.00 61.21 H new ATOM 0 HH TYR A 112 -3.496 8.374 1.390 1.00 2.23 H new ATOM 1537 N VAL A 113 -3.116 2.488 3.903 1.00 12.32 N ATOM 1538 CA VAL A 113 -3.018 2.778 5.336 1.00 31.14 C ATOM 1539 C VAL A 113 -3.914 3.963 5.739 1.00 50.12 C ATOM 1540 O VAL A 113 -3.625 5.118 5.410 1.00 63.11 O ATOM 1541 CB VAL A 113 -1.556 3.086 5.746 1.00 74.24 C ATOM 1542 CG1 VAL A 113 -1.450 3.283 7.257 1.00 31.32 C ATOM 1543 CG2 VAL A 113 -0.612 1.981 5.271 1.00 43.14 C ATOM 0 H VAL A 113 -2.307 2.793 3.361 1.00 12.32 H new ATOM 0 HA VAL A 113 -3.359 1.885 5.859 1.00 31.14 H new ATOM 0 HB VAL A 113 -1.255 4.015 5.261 1.00 74.24 H new ATOM 0 HG11 VAL A 113 -0.415 3.498 7.524 1.00 31.32 H new ATOM 0 HG12 VAL A 113 -2.084 4.116 7.561 1.00 31.32 H new ATOM 0 HG13 VAL A 113 -1.775 2.375 7.766 1.00 31.32 H new ATOM 0 HG21 VAL A 113 0.408 2.220 5.571 1.00 43.14 H new ATOM 0 HG22 VAL A 113 -0.909 1.032 5.718 1.00 43.14 H new ATOM 0 HG23 VAL A 113 -0.662 1.902 4.185 1.00 43.14 H new ATOM 1553 N GLU A 114 -4.999 3.661 6.451 1.00 74.23 N ATOM 1554 CA GLU A 114 -5.947 4.680 6.918 1.00 14.52 C ATOM 1555 C GLU A 114 -5.417 5.413 8.163 1.00 15.25 C ATOM 1556 O GLU A 114 -5.424 6.646 8.228 1.00 43.11 O ATOM 1557 CB GLU A 114 -7.299 4.019 7.238 1.00 51.20 C ATOM 1558 CG GLU A 114 -7.985 3.374 6.035 1.00 33.12 C ATOM 1559 CD GLU A 114 -8.664 4.385 5.117 1.00 2.03 C ATOM 1560 OE1 GLU A 114 -7.963 5.130 4.408 1.00 40.33 O ATOM 1561 OE2 GLU A 114 -9.914 4.424 5.087 1.00 30.35 O ATOM 0 H GLU A 114 -5.248 2.709 6.721 1.00 74.23 H new ATOM 0 HA GLU A 114 -6.074 5.416 6.124 1.00 14.52 H new ATOM 0 HB2 GLU A 114 -7.146 3.259 8.004 1.00 51.20 H new ATOM 0 HB3 GLU A 114 -7.966 4.770 7.662 1.00 51.20 H new ATOM 0 HG2 GLU A 114 -7.247 2.812 5.463 1.00 33.12 H new ATOM 0 HG3 GLU A 114 -8.727 2.658 6.389 1.00 33.12 H new ATOM 1568 N ASN A 115 -4.955 4.645 9.147 1.00 25.44 N ATOM 1569 CA ASN A 115 -4.469 5.211 10.411 1.00 32.22 C ATOM 1570 C ASN A 115 -3.453 4.270 11.079 1.00 52.13 C ATOM 1571 O ASN A 115 -3.461 3.065 10.839 1.00 41.21 O ATOM 1572 CB ASN A 115 -5.659 5.478 11.347 1.00 74.12 C ATOM 1573 CG ASN A 115 -5.250 6.161 12.641 1.00 63.05 C ATOM 1574 OD1 ASN A 115 -5.187 7.385 12.717 1.00 14.42 O ATOM 1575 ND2 ASN A 115 -4.984 5.385 13.672 1.00 22.15 N ATOM 0 H ASN A 115 -4.905 3.627 9.097 1.00 25.44 H new ATOM 0 HA ASN A 115 -3.961 6.153 10.203 1.00 32.22 H new ATOM 0 HB2 ASN A 115 -6.390 6.099 10.829 1.00 74.12 H new ATOM 0 HB3 ASN A 115 -6.151 4.534 11.580 1.00 74.12 H new ATOM 0 HD21 ASN A 115 -4.717 5.798 14.566 1.00 22.15 H new ATOM 0 HD22 ASN A 115 -5.045 4.371 13.577 1.00 22.15 H new ATOM 1582 N VAL A 116 -2.568 4.827 11.904 1.00 21.54 N ATOM 1583 CA VAL A 116 -1.560 4.027 12.617 1.00 22.32 C ATOM 1584 C VAL A 116 -1.656 4.242 14.134 1.00 53.14 C ATOM 1585 O VAL A 116 -1.342 5.318 14.640 1.00 24.54 O ATOM 1586 CB VAL A 116 -0.127 4.378 12.148 1.00 53.52 C ATOM 1587 CG1 VAL A 116 0.909 3.480 12.826 1.00 55.05 C ATOM 1588 CG2 VAL A 116 -0.023 4.279 10.631 1.00 14.23 C ATOM 0 H VAL A 116 -2.524 5.827 12.098 1.00 21.54 H new ATOM 0 HA VAL A 116 -1.764 2.981 12.387 1.00 22.32 H new ATOM 0 HB VAL A 116 0.084 5.407 12.440 1.00 53.52 H new ATOM 0 HG11 VAL A 116 1.907 3.748 12.478 1.00 55.05 H new ATOM 0 HG12 VAL A 116 0.854 3.612 13.907 1.00 55.05 H new ATOM 0 HG13 VAL A 116 0.706 2.438 12.577 1.00 55.05 H new ATOM 0 HG21 VAL A 116 0.991 4.529 10.319 1.00 14.23 H new ATOM 0 HG22 VAL A 116 -0.260 3.263 10.316 1.00 14.23 H new ATOM 0 HG23 VAL A 116 -0.726 4.974 10.172 1.00 14.23 H new ATOM 1598 N ASN A 117 -2.090 3.212 14.852 1.00 52.14 N ATOM 1599 CA ASN A 117 -2.251 3.292 16.309 1.00 70.21 C ATOM 1600 C ASN A 117 -0.902 3.492 17.016 1.00 13.04 C ATOM 1601 O ASN A 117 0.062 2.774 16.745 1.00 63.21 O ATOM 1602 CB ASN A 117 -2.927 2.021 16.837 1.00 42.41 C ATOM 1603 CG ASN A 117 -4.315 1.825 16.259 1.00 52.03 C ATOM 1604 OD1 ASN A 117 -4.992 2.779 15.901 1.00 32.31 O ATOM 1605 ND2 ASN A 117 -4.762 0.589 16.184 1.00 2.52 N ATOM 0 H ASN A 117 -2.339 2.307 14.452 1.00 52.14 H new ATOM 0 HA ASN A 117 -2.879 4.157 16.525 1.00 70.21 H new ATOM 0 HB2 ASN A 117 -2.309 1.156 16.595 1.00 42.41 H new ATOM 0 HB3 ASN A 117 -2.992 2.072 17.924 1.00 42.41 H new ATOM 0 HD21 ASN A 117 -5.697 0.406 15.819 1.00 2.52 H new ATOM 0 HD22 ASN A 117 -4.173 -0.186 16.490 1.00 2.52 H new ATOM 1612 N SER A 118 -0.847 4.455 17.938 1.00 53.12 N ATOM 1613 CA SER A 118 0.374 4.729 18.716 1.00 45.54 C ATOM 1614 C SER A 118 0.801 3.508 19.548 1.00 3.44 C ATOM 1615 O SER A 118 1.950 3.411 19.984 1.00 40.33 O ATOM 1616 CB SER A 118 0.169 5.938 19.640 1.00 31.15 C ATOM 1617 OG SER A 118 -0.862 5.700 20.588 1.00 34.32 O ATOM 0 H SER A 118 -1.633 5.062 18.168 1.00 53.12 H new ATOM 0 HA SER A 118 1.168 4.952 18.003 1.00 45.54 H new ATOM 0 HB2 SER A 118 1.100 6.161 20.162 1.00 31.15 H new ATOM 0 HB3 SER A 118 -0.080 6.815 19.043 1.00 31.15 H new ATOM 0 HG SER A 118 -0.967 6.487 21.162 1.00 34.32 H new ATOM 1623 N ASP A 119 -0.130 2.580 19.769 1.00 45.11 N ATOM 1624 CA ASP A 119 0.170 1.319 20.461 1.00 23.23 C ATOM 1625 C ASP A 119 1.084 0.409 19.620 1.00 22.52 C ATOM 1626 O ASP A 119 1.688 -0.532 20.137 1.00 73.22 O ATOM 1627 CB ASP A 119 -1.131 0.586 20.795 1.00 5.51 C ATOM 1628 CG ASP A 119 -2.053 1.424 21.662 1.00 53.21 C ATOM 1629 OD1 ASP A 119 -2.879 2.174 21.102 1.00 21.32 O ATOM 1630 OD2 ASP A 119 -1.960 1.335 22.904 1.00 52.10 O ATOM 0 H ASP A 119 -1.103 2.675 19.479 1.00 45.11 H new ATOM 0 HA ASP A 119 0.701 1.563 21.381 1.00 23.23 H new ATOM 0 HB2 ASP A 119 -1.645 0.321 19.871 1.00 5.51 H new ATOM 0 HB3 ASP A 119 -0.899 -0.347 21.309 1.00 5.51 H new ATOM 1635 N GLY A 120 1.182 0.697 18.324 1.00 43.41 N ATOM 1636 CA GLY A 120 2.031 -0.090 17.434 1.00 24.15 C ATOM 1637 C GLY A 120 1.237 -0.986 16.488 1.00 34.33 C ATOM 1638 O GLY A 120 1.431 -2.202 16.467 1.00 1.13 O ATOM 0 H GLY A 120 0.687 1.464 17.869 1.00 43.41 H new ATOM 0 HA2 GLY A 120 2.656 0.584 16.848 1.00 24.15 H new ATOM 0 HA3 GLY A 120 2.701 -0.707 18.032 1.00 24.15 H new ATOM 1642 N SER A 121 0.353 -0.384 15.692 1.00 21.24 N ATOM 1643 CA SER A 121 -0.477 -1.140 14.739 1.00 74.03 C ATOM 1644 C SER A 121 -0.853 -0.284 13.527 1.00 33.24 C ATOM 1645 O SER A 121 -1.233 0.878 13.671 1.00 32.42 O ATOM 1646 CB SER A 121 -1.762 -1.651 15.408 1.00 43.14 C ATOM 1647 OG SER A 121 -1.485 -2.558 16.463 1.00 11.54 O ATOM 0 H SER A 121 0.189 0.623 15.684 1.00 21.24 H new ATOM 0 HA SER A 121 0.118 -1.990 14.405 1.00 74.03 H new ATOM 0 HB2 SER A 121 -2.330 -0.806 15.796 1.00 43.14 H new ATOM 0 HB3 SER A 121 -2.389 -2.141 14.663 1.00 43.14 H new ATOM 0 HG SER A 121 -2.327 -2.860 16.865 1.00 11.54 H new ATOM 1653 N VAL A 122 -0.757 -0.871 12.341 1.00 15.24 N ATOM 1654 CA VAL A 122 -1.108 -0.190 11.092 1.00 51.32 C ATOM 1655 C VAL A 122 -2.493 -0.640 10.591 1.00 30.32 C ATOM 1656 O VAL A 122 -2.699 -1.813 10.271 1.00 61.21 O ATOM 1657 CB VAL A 122 -0.047 -0.472 9.998 1.00 33.35 C ATOM 1658 CG1 VAL A 122 -0.377 0.272 8.707 1.00 52.41 C ATOM 1659 CG2 VAL A 122 1.350 -0.104 10.499 1.00 14.14 C ATOM 0 H VAL A 122 -0.435 -1.830 12.213 1.00 15.24 H new ATOM 0 HA VAL A 122 -1.136 0.880 11.296 1.00 51.32 H new ATOM 0 HB VAL A 122 -0.062 -1.539 9.778 1.00 33.35 H new ATOM 0 HG11 VAL A 122 0.384 0.055 7.958 1.00 52.41 H new ATOM 0 HG12 VAL A 122 -1.351 -0.052 8.339 1.00 52.41 H new ATOM 0 HG13 VAL A 122 -0.401 1.344 8.901 1.00 52.41 H new ATOM 0 HG21 VAL A 122 2.082 -0.309 9.718 1.00 14.14 H new ATOM 0 HG22 VAL A 122 1.378 0.955 10.754 1.00 14.14 H new ATOM 0 HG23 VAL A 122 1.587 -0.696 11.383 1.00 14.14 H new ATOM 1669 N GLU A 123 -3.439 0.295 10.544 1.00 51.55 N ATOM 1670 CA GLU A 123 -4.801 0.009 10.078 1.00 52.01 C ATOM 1671 C GLU A 123 -4.920 0.235 8.563 1.00 12.01 C ATOM 1672 O GLU A 123 -4.952 1.376 8.094 1.00 61.43 O ATOM 1673 CB GLU A 123 -5.815 0.894 10.822 1.00 43.54 C ATOM 1674 CG GLU A 123 -5.753 0.763 12.341 1.00 73.14 C ATOM 1675 CD GLU A 123 -6.706 1.713 13.050 1.00 10.40 C ATOM 1676 OE1 GLU A 123 -6.312 2.864 13.326 1.00 40.23 O ATOM 1677 OE2 GLU A 123 -7.855 1.313 13.340 1.00 33.44 O ATOM 0 H GLU A 123 -3.289 1.264 10.824 1.00 51.55 H new ATOM 0 HA GLU A 123 -5.019 -1.038 10.289 1.00 52.01 H new ATOM 0 HB2 GLU A 123 -5.642 1.935 10.550 1.00 43.54 H new ATOM 0 HB3 GLU A 123 -6.820 0.639 10.486 1.00 43.54 H new ATOM 0 HG2 GLU A 123 -5.991 -0.262 12.623 1.00 73.14 H new ATOM 0 HG3 GLU A 123 -4.735 0.958 12.677 1.00 73.14 H new ATOM 1684 N VAL A 124 -4.966 -0.857 7.799 1.00 31.43 N ATOM 1685 CA VAL A 124 -5.070 -0.777 6.337 1.00 0.22 C ATOM 1686 C VAL A 124 -6.459 -1.208 5.836 1.00 20.25 C ATOM 1687 O VAL A 124 -6.992 -2.238 6.246 1.00 33.42 O ATOM 1688 CB VAL A 124 -3.977 -1.635 5.649 1.00 41.52 C ATOM 1689 CG1 VAL A 124 -2.586 -1.109 5.996 1.00 55.44 C ATOM 1690 CG2 VAL A 124 -4.108 -3.113 6.030 1.00 23.24 C ATOM 0 H VAL A 124 -4.933 -1.808 8.166 1.00 31.43 H new ATOM 0 HA VAL A 124 -4.920 0.269 6.070 1.00 0.22 H new ATOM 0 HB VAL A 124 -4.118 -1.556 4.571 1.00 41.52 H new ATOM 0 HG11 VAL A 124 -1.832 -1.723 5.504 1.00 55.44 H new ATOM 0 HG12 VAL A 124 -2.492 -0.078 5.656 1.00 55.44 H new ATOM 0 HG13 VAL A 124 -2.440 -1.150 7.075 1.00 55.44 H new ATOM 0 HG21 VAL A 124 -3.327 -3.688 5.532 1.00 23.24 H new ATOM 0 HG22 VAL A 124 -4.005 -3.221 7.110 1.00 23.24 H new ATOM 0 HG23 VAL A 124 -5.085 -3.483 5.720 1.00 23.24 H new ATOM 1700 N SER A 125 -7.040 -0.411 4.946 1.00 40.14 N ATOM 1701 CA SER A 125 -8.371 -0.699 4.393 1.00 21.25 C ATOM 1702 C SER A 125 -8.271 -1.570 3.131 1.00 64.52 C ATOM 1703 O SER A 125 -7.732 -1.139 2.107 1.00 0.03 O ATOM 1704 CB SER A 125 -9.097 0.614 4.068 1.00 61.45 C ATOM 1705 OG SER A 125 -10.429 0.394 3.625 1.00 15.55 O ATOM 0 H SER A 125 -6.614 0.443 4.587 1.00 40.14 H new ATOM 0 HA SER A 125 -8.939 -1.251 5.142 1.00 21.25 H new ATOM 0 HB2 SER A 125 -9.111 1.249 4.954 1.00 61.45 H new ATOM 0 HB3 SER A 125 -8.544 1.152 3.298 1.00 61.45 H new ATOM 0 HG SER A 125 -10.977 0.085 4.376 1.00 15.55 H new ATOM 1711 N GLU A 126 -8.780 -2.798 3.212 1.00 52.33 N ATOM 1712 CA GLU A 126 -8.756 -3.733 2.077 1.00 32.24 C ATOM 1713 C GLU A 126 -10.136 -4.364 1.837 1.00 60.52 C ATOM 1714 O GLU A 126 -10.903 -4.587 2.768 1.00 55.04 O ATOM 1715 CB GLU A 126 -7.731 -4.856 2.317 1.00 32.03 C ATOM 1716 CG GLU A 126 -7.987 -5.667 3.588 1.00 32.44 C ATOM 1717 CD GLU A 126 -7.388 -7.068 3.539 1.00 11.15 C ATOM 1718 OE1 GLU A 126 -6.162 -7.192 3.304 1.00 31.34 O ATOM 1719 OE2 GLU A 126 -8.136 -8.052 3.715 1.00 22.22 O ATOM 0 H GLU A 126 -9.217 -3.174 4.053 1.00 52.33 H new ATOM 0 HA GLU A 126 -8.472 -3.157 1.196 1.00 32.24 H new ATOM 0 HB2 GLU A 126 -7.738 -5.530 1.460 1.00 32.03 H new ATOM 0 HB3 GLU A 126 -6.734 -4.419 2.371 1.00 32.03 H new ATOM 0 HG2 GLU A 126 -7.572 -5.132 4.442 1.00 32.44 H new ATOM 0 HG3 GLU A 126 -9.062 -5.744 3.751 1.00 32.44 H new ATOM 1726 N MET A 127 -10.449 -4.650 0.577 1.00 41.15 N ATOM 1727 CA MET A 127 -11.678 -5.371 0.236 1.00 13.44 C ATOM 1728 C MET A 127 -11.498 -6.880 0.433 1.00 3.32 C ATOM 1729 O MET A 127 -10.804 -7.545 -0.340 1.00 63.54 O ATOM 1730 CB MET A 127 -12.104 -5.064 -1.204 1.00 50.04 C ATOM 1731 CG MET A 127 -13.324 -5.849 -1.672 1.00 71.35 C ATOM 1732 SD MET A 127 -13.949 -5.269 -3.260 1.00 44.04 S ATOM 1733 CE MET A 127 -14.360 -3.575 -2.849 1.00 1.21 C ATOM 0 H MET A 127 -9.873 -4.396 -0.225 1.00 41.15 H new ATOM 0 HA MET A 127 -12.466 -5.031 0.908 1.00 13.44 H new ATOM 0 HB2 MET A 127 -12.316 -3.998 -1.290 1.00 50.04 H new ATOM 0 HB3 MET A 127 -11.270 -5.278 -1.872 1.00 50.04 H new ATOM 0 HG2 MET A 127 -13.065 -6.905 -1.751 1.00 71.35 H new ATOM 0 HG3 MET A 127 -14.112 -5.769 -0.924 1.00 71.35 H new ATOM 0 HE1 MET A 127 -15.288 -3.294 -3.348 1.00 1.21 H new ATOM 0 HE2 MET A 127 -14.485 -3.483 -1.770 1.00 1.21 H new ATOM 0 HE3 MET A 127 -13.557 -2.916 -3.179 1.00 1.21 H new ATOM 1878 N GLU A 138 -11.542 -2.989 7.426 1.00 41.43 N ATOM 1879 CA GLU A 138 -10.397 -2.242 7.950 1.00 51.04 C ATOM 1880 C GLU A 138 -9.455 -3.188 8.710 1.00 55.04 C ATOM 1881 O GLU A 138 -9.677 -3.511 9.877 1.00 55.14 O ATOM 1882 CB GLU A 138 -10.867 -1.096 8.862 1.00 30.55 C ATOM 1883 CG GLU A 138 -12.021 -0.274 8.291 1.00 23.22 C ATOM 1884 CD GLU A 138 -11.779 0.220 6.868 1.00 63.11 C ATOM 1885 OE1 GLU A 138 -10.963 1.146 6.686 1.00 61.44 O ATOM 1886 OE2 GLU A 138 -12.416 -0.308 5.929 1.00 22.14 O ATOM 0 HA GLU A 138 -9.853 -1.805 7.113 1.00 51.04 H new ATOM 0 HB2 GLU A 138 -11.173 -1.513 9.822 1.00 30.55 H new ATOM 0 HB3 GLU A 138 -10.024 -0.432 9.056 1.00 30.55 H new ATOM 0 HG2 GLU A 138 -12.928 -0.878 8.307 1.00 23.22 H new ATOM 0 HG3 GLU A 138 -12.199 0.585 8.939 1.00 23.22 H new ATOM 1893 N ARG A 139 -8.416 -3.644 8.025 1.00 62.24 N ATOM 1894 CA ARG A 139 -7.512 -4.673 8.545 1.00 44.11 C ATOM 1895 C ARG A 139 -6.413 -4.080 9.452 1.00 24.51 C ATOM 1896 O ARG A 139 -5.483 -3.425 8.978 1.00 43.35 O ATOM 1897 CB ARG A 139 -6.890 -5.414 7.352 1.00 64.02 C ATOM 1898 CG ARG A 139 -6.059 -6.641 7.711 1.00 20.03 C ATOM 1899 CD ARG A 139 -5.500 -7.302 6.456 1.00 35.30 C ATOM 1900 NE ARG A 139 -4.762 -8.528 6.742 1.00 50.10 N ATOM 1901 CZ ARG A 139 -4.366 -9.370 5.827 1.00 20.22 C ATOM 1902 NH1 ARG A 139 -4.640 -9.167 4.574 1.00 63.24 N ATOM 1903 NH2 ARG A 139 -3.717 -10.433 6.174 1.00 34.23 N ATOM 0 H ARG A 139 -8.171 -3.314 7.091 1.00 62.24 H new ATOM 0 HA ARG A 139 -8.083 -5.363 9.166 1.00 44.11 H new ATOM 0 HB2 ARG A 139 -7.690 -5.721 6.679 1.00 64.02 H new ATOM 0 HB3 ARG A 139 -6.259 -4.717 6.800 1.00 64.02 H new ATOM 0 HG2 ARG A 139 -5.241 -6.351 8.370 1.00 20.03 H new ATOM 0 HG3 ARG A 139 -6.674 -7.354 8.260 1.00 20.03 H new ATOM 0 HD2 ARG A 139 -6.320 -7.528 5.774 1.00 35.30 H new ATOM 0 HD3 ARG A 139 -4.843 -6.600 5.943 1.00 35.30 H new ATOM 0 HE ARG A 139 -4.543 -8.739 7.715 1.00 50.10 H new ATOM 0 HH11 ARG A 139 -5.171 -8.342 4.295 1.00 63.24 H new ATOM 0 HH12 ARG A 139 -4.325 -9.833 3.869 1.00 63.24 H new ATOM 0 HH21 ARG A 139 -3.517 -10.610 7.158 1.00 34.23 H new ATOM 0 HH22 ARG A 139 -3.405 -11.095 5.463 1.00 34.23 H new ATOM 1917 N THR A 140 -6.530 -4.306 10.760 1.00 3.53 N ATOM 1918 CA THR A 140 -5.523 -3.830 11.724 1.00 73.23 C ATOM 1919 C THR A 140 -4.378 -4.844 11.880 1.00 13.54 C ATOM 1920 O THR A 140 -4.577 -5.948 12.391 1.00 0.44 O ATOM 1921 CB THR A 140 -6.146 -3.562 13.119 1.00 12.51 C ATOM 1922 OG1 THR A 140 -7.184 -2.578 13.014 1.00 34.40 O ATOM 1923 CG2 THR A 140 -5.092 -3.082 14.114 1.00 2.44 C ATOM 0 H THR A 140 -7.308 -4.814 11.181 1.00 3.53 H new ATOM 0 HA THR A 140 -5.130 -2.895 11.324 1.00 73.23 H new ATOM 0 HB THR A 140 -6.564 -4.501 13.483 1.00 12.51 H new ATOM 0 HG1 THR A 140 -7.573 -2.417 13.899 1.00 34.40 H new ATOM 0 HG21 THR A 140 -5.560 -2.903 15.082 1.00 2.44 H new ATOM 0 HG22 THR A 140 -4.319 -3.843 14.220 1.00 2.44 H new ATOM 0 HG23 THR A 140 -4.644 -2.157 13.751 1.00 2.44 H new ATOM 1931 N ILE A 141 -3.182 -4.461 11.432 1.00 13.42 N ATOM 1932 CA ILE A 141 -1.997 -5.332 11.504 1.00 75.43 C ATOM 1933 C ILE A 141 -0.955 -4.790 12.503 1.00 72.44 C ATOM 1934 O ILE A 141 -0.718 -3.585 12.572 1.00 32.43 O ATOM 1935 CB ILE A 141 -1.330 -5.476 10.107 1.00 40.34 C ATOM 1936 CG1 ILE A 141 -2.348 -5.986 9.068 1.00 11.35 C ATOM 1937 CG2 ILE A 141 -0.120 -6.411 10.175 1.00 73.24 C ATOM 1938 CD1 ILE A 141 -1.793 -6.088 7.659 1.00 22.23 C ATOM 0 H ILE A 141 -3.003 -3.549 11.012 1.00 13.42 H new ATOM 0 HA ILE A 141 -2.341 -6.308 11.848 1.00 75.43 H new ATOM 0 HB ILE A 141 -0.983 -4.491 9.795 1.00 40.34 H new ATOM 0 HG12 ILE A 141 -2.707 -6.967 9.378 1.00 11.35 H new ATOM 0 HG13 ILE A 141 -3.210 -5.319 9.061 1.00 11.35 H new ATOM 0 HG21 ILE A 141 0.330 -6.496 9.186 1.00 73.24 H new ATOM 0 HG22 ILE A 141 0.613 -6.007 10.874 1.00 73.24 H new ATOM 0 HG23 ILE A 141 -0.440 -7.396 10.514 1.00 73.24 H new ATOM 0 HD11 ILE A 141 -2.570 -6.454 6.988 1.00 22.23 H new ATOM 0 HD12 ILE A 141 -1.460 -5.105 7.327 1.00 22.23 H new ATOM 0 HD13 ILE A 141 -0.950 -6.779 7.649 1.00 22.23 H new ATOM 1950 N SER A 142 -0.344 -5.686 13.280 1.00 10.13 N ATOM 1951 CA SER A 142 0.724 -5.303 14.220 1.00 74.53 C ATOM 1952 C SER A 142 1.898 -4.630 13.491 1.00 2.34 C ATOM 1953 O SER A 142 2.367 -5.126 12.464 1.00 1.42 O ATOM 1954 CB SER A 142 1.236 -6.534 14.983 1.00 51.02 C ATOM 1955 OG SER A 142 0.199 -7.156 15.724 1.00 23.21 O ATOM 0 H SER A 142 -0.566 -6.682 13.281 1.00 10.13 H new ATOM 0 HA SER A 142 0.298 -4.589 14.925 1.00 74.53 H new ATOM 0 HB2 SER A 142 1.660 -7.249 14.278 1.00 51.02 H new ATOM 0 HB3 SER A 142 2.039 -6.237 15.658 1.00 51.02 H new ATOM 0 HG SER A 142 0.557 -7.936 16.196 1.00 23.21 H new ATOM 1961 N ALA A 143 2.382 -3.510 14.033 1.00 34.54 N ATOM 1962 CA ALA A 143 3.480 -2.750 13.412 1.00 22.25 C ATOM 1963 C ALA A 143 4.753 -3.598 13.247 1.00 5.42 C ATOM 1964 O ALA A 143 5.476 -3.458 12.257 1.00 24.11 O ATOM 1965 CB ALA A 143 3.784 -1.493 14.223 1.00 52.01 C ATOM 0 H ALA A 143 2.033 -3.105 14.902 1.00 34.54 H new ATOM 0 HA ALA A 143 3.148 -2.462 12.414 1.00 22.25 H new ATOM 0 HB1 ALA A 143 4.598 -0.943 13.750 1.00 52.01 H new ATOM 0 HB2 ALA A 143 2.896 -0.863 14.264 1.00 52.01 H new ATOM 0 HB3 ALA A 143 4.076 -1.775 15.235 1.00 52.01 H new ATOM 1971 N GLY A 144 5.018 -4.476 14.216 1.00 40.20 N ATOM 1972 CA GLY A 144 6.165 -5.382 14.126 1.00 34.41 C ATOM 1973 C GLY A 144 6.196 -6.177 12.821 1.00 41.22 C ATOM 1974 O GLY A 144 7.203 -6.195 12.111 1.00 71.11 O ATOM 0 H GLY A 144 4.461 -4.579 15.064 1.00 40.20 H new ATOM 0 HA2 GLY A 144 7.085 -4.805 14.215 1.00 34.41 H new ATOM 0 HA3 GLY A 144 6.141 -6.075 14.967 1.00 34.41 H new ATOM 1978 N GLU A 145 5.081 -6.837 12.510 1.00 43.35 N ATOM 1979 CA GLU A 145 4.921 -7.566 11.244 1.00 2.44 C ATOM 1980 C GLU A 145 4.880 -6.593 10.053 1.00 12.13 C ATOM 1981 O GLU A 145 5.544 -6.803 9.033 1.00 55.43 O ATOM 1982 CB GLU A 145 3.628 -8.403 11.287 1.00 12.32 C ATOM 1983 CG GLU A 145 3.351 -9.228 10.027 1.00 20.23 C ATOM 1984 CD GLU A 145 4.338 -10.371 9.819 1.00 51.01 C ATOM 1985 OE1 GLU A 145 4.359 -11.305 10.650 1.00 30.15 O ATOM 1986 OE2 GLU A 145 5.082 -10.351 8.811 1.00 54.42 O ATOM 0 H GLU A 145 4.266 -6.884 13.121 1.00 43.35 H new ATOM 0 HA GLU A 145 5.777 -8.228 11.114 1.00 2.44 H new ATOM 0 HB2 GLU A 145 3.678 -9.078 12.142 1.00 12.32 H new ATOM 0 HB3 GLU A 145 2.785 -7.734 11.458 1.00 12.32 H new ATOM 0 HG2 GLU A 145 2.342 -9.636 10.084 1.00 20.23 H new ATOM 0 HG3 GLU A 145 3.380 -8.571 9.158 1.00 20.23 H new ATOM 1993 N ALA A 146 4.116 -5.513 10.213 1.00 21.33 N ATOM 1994 CA ALA A 146 3.901 -4.522 9.149 1.00 34.15 C ATOM 1995 C ALA A 146 5.203 -3.840 8.682 1.00 12.44 C ATOM 1996 O ALA A 146 5.328 -3.459 7.519 1.00 2.12 O ATOM 1997 CB ALA A 146 2.900 -3.474 9.623 1.00 12.42 C ATOM 0 H ALA A 146 3.627 -5.297 11.082 1.00 21.33 H new ATOM 0 HA ALA A 146 3.507 -5.059 8.286 1.00 34.15 H new ATOM 0 HB1 ALA A 146 2.741 -2.739 8.834 1.00 12.42 H new ATOM 0 HB2 ALA A 146 1.954 -3.958 9.864 1.00 12.42 H new ATOM 0 HB3 ALA A 146 3.289 -2.975 10.510 1.00 12.42 H new ATOM 2003 N SER A 147 6.169 -3.697 9.592 1.00 63.53 N ATOM 2004 CA SER A 147 7.443 -3.014 9.287 1.00 44.13 C ATOM 2005 C SER A 147 8.208 -3.670 8.124 1.00 52.01 C ATOM 2006 O SER A 147 9.020 -3.020 7.465 1.00 4.21 O ATOM 2007 CB SER A 147 8.341 -2.974 10.533 1.00 21.50 C ATOM 2008 OG SER A 147 9.595 -2.355 10.259 1.00 1.31 O ATOM 0 H SER A 147 6.100 -4.043 10.549 1.00 63.53 H new ATOM 0 HA SER A 147 7.185 -2.000 8.980 1.00 44.13 H new ATOM 0 HB2 SER A 147 7.833 -2.431 11.330 1.00 21.50 H new ATOM 0 HB3 SER A 147 8.507 -3.989 10.895 1.00 21.50 H new ATOM 0 HG SER A 147 10.140 -2.345 11.073 1.00 1.31 H new ATOM 2014 N SER A 148 7.949 -4.953 7.871 1.00 25.22 N ATOM 2015 CA SER A 148 8.628 -5.681 6.781 1.00 42.23 C ATOM 2016 C SER A 148 8.061 -5.305 5.405 1.00 71.25 C ATOM 2017 O SER A 148 8.705 -5.511 4.375 1.00 53.22 O ATOM 2018 CB SER A 148 8.509 -7.198 6.983 1.00 3.51 C ATOM 2019 OG SER A 148 9.178 -7.912 5.951 1.00 34.52 O ATOM 0 H SER A 148 7.279 -5.513 8.398 1.00 25.22 H new ATOM 0 HA SER A 148 9.678 -5.391 6.812 1.00 42.23 H new ATOM 0 HB2 SER A 148 8.931 -7.472 7.950 1.00 3.51 H new ATOM 0 HB3 SER A 148 7.457 -7.483 7.002 1.00 3.51 H new ATOM 0 HG SER A 148 9.086 -8.875 6.107 1.00 34.52 H new ATOM 2025 N TYR A 149 6.857 -4.747 5.389 1.00 74.53 N ATOM 2026 CA TYR A 149 6.190 -4.390 4.135 1.00 24.12 C ATOM 2027 C TYR A 149 6.663 -3.016 3.632 1.00 53.43 C ATOM 2028 O TYR A 149 7.001 -2.134 4.423 1.00 30.20 O ATOM 2029 CB TYR A 149 4.667 -4.409 4.333 1.00 33.31 C ATOM 2030 CG TYR A 149 4.165 -5.693 4.980 1.00 75.22 C ATOM 2031 CD1 TYR A 149 4.736 -6.924 4.662 1.00 1.32 C ATOM 2032 CD2 TYR A 149 3.133 -5.678 5.914 1.00 52.12 C ATOM 2033 CE1 TYR A 149 4.297 -8.091 5.255 1.00 45.42 C ATOM 2034 CE2 TYR A 149 2.687 -6.844 6.508 1.00 74.04 C ATOM 2035 CZ TYR A 149 3.273 -8.046 6.176 1.00 70.02 C ATOM 2036 OH TYR A 149 2.838 -9.208 6.772 1.00 65.35 O ATOM 0 H TYR A 149 6.319 -4.530 6.228 1.00 74.53 H new ATOM 0 HA TYR A 149 6.454 -5.126 3.375 1.00 24.12 H new ATOM 0 HB2 TYR A 149 4.376 -3.560 4.951 1.00 33.31 H new ATOM 0 HB3 TYR A 149 4.179 -4.281 3.367 1.00 33.31 H new ATOM 0 HD1 TYR A 149 5.537 -6.966 3.938 1.00 1.32 H new ATOM 0 HD2 TYR A 149 2.672 -4.738 6.180 1.00 52.12 H new ATOM 0 HE1 TYR A 149 4.754 -9.035 4.998 1.00 45.42 H new ATOM 0 HE2 TYR A 149 1.883 -6.813 7.229 1.00 74.04 H new ATOM 0 HH TYR A 149 2.112 -9.003 7.397 1.00 65.35 H new ATOM 2046 N ASN A 150 6.701 -2.842 2.313 1.00 75.34 N ATOM 2047 CA ASN A 150 7.199 -1.596 1.712 1.00 3.32 C ATOM 2048 C ASN A 150 6.058 -0.596 1.477 1.00 24.40 C ATOM 2049 O ASN A 150 5.105 -0.894 0.765 1.00 73.15 O ATOM 2050 CB ASN A 150 7.911 -1.899 0.391 1.00 34.13 C ATOM 2051 CG ASN A 150 9.044 -2.892 0.564 1.00 23.14 C ATOM 2052 OD1 ASN A 150 10.177 -2.518 0.846 1.00 72.13 O ATOM 2053 ND2 ASN A 150 8.751 -4.165 0.395 1.00 32.53 N ATOM 0 H ASN A 150 6.395 -3.542 1.638 1.00 75.34 H new ATOM 0 HA ASN A 150 7.906 -1.144 2.408 1.00 3.32 H new ATOM 0 HB2 ASN A 150 7.191 -2.294 -0.325 1.00 34.13 H new ATOM 0 HB3 ASN A 150 8.303 -0.973 -0.029 1.00 34.13 H new ATOM 0 HD21 ASN A 150 9.477 -4.874 0.498 1.00 32.53 H new ATOM 0 HD22 ASN A 150 7.798 -4.442 0.161 1.00 32.53 H new ATOM 2060 N TYR A 151 6.162 0.590 2.075 1.00 65.11 N ATOM 2061 CA TYR A 151 5.103 1.605 1.974 1.00 71.54 C ATOM 2062 C TYR A 151 5.414 2.657 0.896 1.00 22.53 C ATOM 2063 O TYR A 151 6.441 3.336 0.946 1.00 35.10 O ATOM 2064 CB TYR A 151 4.903 2.291 3.332 1.00 73.42 C ATOM 2065 CG TYR A 151 4.414 1.355 4.422 1.00 12.32 C ATOM 2066 CD1 TYR A 151 5.282 0.460 5.042 1.00 13.30 C ATOM 2067 CD2 TYR A 151 3.086 1.360 4.827 1.00 35.41 C ATOM 2068 CE1 TYR A 151 4.837 -0.399 6.028 1.00 12.22 C ATOM 2069 CE2 TYR A 151 2.635 0.504 5.814 1.00 74.12 C ATOM 2070 CZ TYR A 151 3.512 -0.373 6.410 1.00 13.12 C ATOM 2071 OH TYR A 151 3.065 -1.225 7.390 1.00 41.34 O ATOM 0 H TYR A 151 6.966 0.876 2.635 1.00 65.11 H new ATOM 0 HA TYR A 151 4.186 1.095 1.681 1.00 71.54 H new ATOM 0 HB2 TYR A 151 5.846 2.738 3.646 1.00 73.42 H new ATOM 0 HB3 TYR A 151 4.187 3.105 3.216 1.00 73.42 H new ATOM 0 HD1 TYR A 151 6.321 0.437 4.747 1.00 13.30 H new ATOM 0 HD2 TYR A 151 2.393 2.045 4.362 1.00 35.41 H new ATOM 0 HE1 TYR A 151 5.524 -1.088 6.498 1.00 12.22 H new ATOM 0 HE2 TYR A 151 1.598 0.523 6.116 1.00 74.12 H new ATOM 0 HH TYR A 151 2.179 -1.567 7.147 1.00 41.34 H new ATOM 2081 N ILE A 152 4.516 2.789 -0.077 1.00 65.21 N ATOM 2082 CA ILE A 152 4.645 3.809 -1.121 1.00 12.21 C ATOM 2083 C ILE A 152 4.086 5.156 -0.628 1.00 31.22 C ATOM 2084 O ILE A 152 2.917 5.253 -0.247 1.00 51.54 O ATOM 2085 CB ILE A 152 3.918 3.401 -2.439 1.00 65.42 C ATOM 2086 CG1 ILE A 152 4.516 2.108 -3.039 1.00 33.05 C ATOM 2087 CG2 ILE A 152 3.979 4.539 -3.460 1.00 55.04 C ATOM 2088 CD1 ILE A 152 4.143 0.842 -2.293 1.00 50.30 C ATOM 0 H ILE A 152 3.687 2.201 -0.167 1.00 65.21 H new ATOM 0 HA ILE A 152 5.709 3.905 -1.339 1.00 12.21 H new ATOM 0 HB ILE A 152 2.875 3.204 -2.193 1.00 65.42 H new ATOM 0 HG12 ILE A 152 4.187 2.016 -4.074 1.00 33.05 H new ATOM 0 HG13 ILE A 152 5.602 2.198 -3.057 1.00 33.05 H new ATOM 0 HG21 ILE A 152 3.467 4.236 -4.373 1.00 55.04 H new ATOM 0 HG22 ILE A 152 3.494 5.424 -3.048 1.00 55.04 H new ATOM 0 HG23 ILE A 152 5.020 4.769 -3.687 1.00 55.04 H new ATOM 0 HD11 ILE A 152 4.604 -0.017 -2.781 1.00 50.30 H new ATOM 0 HD12 ILE A 152 4.497 0.908 -1.264 1.00 50.30 H new ATOM 0 HD13 ILE A 152 3.060 0.723 -2.297 1.00 50.30 H new ATOM 2100 N HIS A 153 4.929 6.188 -0.632 1.00 60.14 N ATOM 2101 CA HIS A 153 4.539 7.530 -0.174 1.00 61.14 C ATOM 2102 C HIS A 153 4.587 8.534 -1.339 1.00 73.12 C ATOM 2103 O HIS A 153 5.418 8.414 -2.241 1.00 75.41 O ATOM 2104 CB HIS A 153 5.464 7.997 0.961 1.00 71.23 C ATOM 2105 CG HIS A 153 5.532 7.043 2.118 1.00 72.25 C ATOM 2106 ND1 HIS A 153 4.722 7.145 3.229 1.00 13.33 N ATOM 2107 CD2 HIS A 153 6.326 5.967 2.339 1.00 21.03 C ATOM 2108 CE1 HIS A 153 5.014 6.180 4.078 1.00 40.34 C ATOM 2109 NE2 HIS A 153 5.980 5.451 3.563 1.00 51.13 N ATOM 0 H HIS A 153 5.896 6.123 -0.950 1.00 60.14 H new ATOM 0 HA HIS A 153 3.517 7.480 0.202 1.00 61.14 H new ATOM 0 HB2 HIS A 153 6.468 8.142 0.562 1.00 71.23 H new ATOM 0 HB3 HIS A 153 5.121 8.967 1.321 1.00 71.23 H new ATOM 0 HD2 HIS A 153 7.089 5.587 1.676 1.00 21.03 H new ATOM 0 HE1 HIS A 153 4.540 6.016 5.035 1.00 40.34 H new ATOM 0 HE2 HIS A 153 6.404 4.634 4.002 1.00 51.13 H new ATOM 2118 N LEU A 154 3.698 9.526 -1.315 1.00 30.55 N ATOM 2119 CA LEU A 154 3.598 10.499 -2.412 1.00 5.14 C ATOM 2120 C LEU A 154 4.074 11.900 -1.995 1.00 23.11 C ATOM 2121 O LEU A 154 3.488 12.528 -1.113 1.00 13.40 O ATOM 2122 CB LEU A 154 2.150 10.573 -2.915 1.00 62.34 C ATOM 2123 CG LEU A 154 1.580 9.256 -3.467 1.00 5.11 C ATOM 2124 CD1 LEU A 154 0.142 9.448 -3.936 1.00 52.14 C ATOM 2125 CD2 LEU A 154 2.453 8.726 -4.603 1.00 73.31 C ATOM 0 H LEU A 154 3.037 9.680 -0.553 1.00 30.55 H new ATOM 0 HA LEU A 154 4.254 10.154 -3.211 1.00 5.14 H new ATOM 0 HB2 LEU A 154 1.515 10.910 -2.096 1.00 62.34 H new ATOM 0 HB3 LEU A 154 2.092 11.331 -3.696 1.00 62.34 H new ATOM 0 HG LEU A 154 1.581 8.519 -2.664 1.00 5.11 H new ATOM 0 HD11 LEU A 154 -0.243 8.505 -4.323 1.00 52.14 H new ATOM 0 HD12 LEU A 154 -0.473 9.775 -3.098 1.00 52.14 H new ATOM 0 HD13 LEU A 154 0.113 10.202 -4.723 1.00 52.14 H new ATOM 0 HD21 LEU A 154 2.033 7.794 -4.980 1.00 73.31 H new ATOM 0 HD22 LEU A 154 2.488 9.460 -5.408 1.00 73.31 H new ATOM 0 HD23 LEU A 154 3.462 8.546 -4.233 1.00 73.31 H new