USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=27 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 101 GLN : amide:sc= -0.612 K(o=-0.9,f=1.8) USER MOD Set 1.2: A 150 ASN : amide:sc= -0.293 K(o=-0.9,f=1.8) USER MOD Set 2.1: A 60 TYR OH : rot 98:sc= -0.37 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 164:sc= 1.09 (180deg=-0.324!) USER MOD Set 2.3: A 125 SER OG : rot 32:sc= 0.966 USER MOD Set 3.1: A 57 CYS SG : rot -166:sc= 0.134 USER MOD Set 3.2: A 102 SER OG : rot -81:sc= 0.161 USER MOD Set 3.3: A 109 HIS : no HD1:sc= 0.228 K(o=0.52,f=-0.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 56 GLN : amide:sc= -0.0313 X(o=-0.031,f=-0.53) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -42:sc= 0.919 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 77 ASN : amide:sc= -0.0949 K(o=-0.095,f=-2.4!) USER MOD Single : A 78 ASN : amide:sc= 0.488 K(o=0.49,f=-0.053) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 152:sc= -0.495 USER MOD Single : A 85 SER OG : rot -36:sc= 0.129 USER MOD Single : A 88 TYR OH : rot -106:sc= 0.568 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0447 K(o=-0.045,f=-0.62) USER MOD Single : A 92 ASN : amide:sc= 0.466 K(o=0.47,f=-4.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -85:sc= 0.816 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 115 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.0034) USER MOD Single : A 117 ASN : amide:sc= 0.318 X(o=0.32,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 79:sc= 0.826 USER MOD Single : A 127 MET CE :methyl -113:sc= -0.772 (180deg=-1.64) USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot -39:sc= 0.0172 USER MOD Single : A 148 SER OG : rot -24:sc= 0.526 USER MOD Single : A 149 TYR OH : rot 40:sc= 0.0808 USER MOD Single : A 151 TYR OH : rot -74:sc= -1.78! USER MOD Single : A 153 HIS : no HD1:sc= 0.269 K(o=0.27,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -8.382 -5.457 -12.463 1.00 54.32 N ATOM 724 CA THR A 53 -9.784 -5.889 -12.614 1.00 33.10 C ATOM 725 C THR A 53 -10.622 -5.599 -11.371 1.00 24.22 C ATOM 726 O THR A 53 -10.105 -5.524 -10.253 1.00 62.14 O ATOM 727 CB THR A 53 -9.890 -7.402 -12.915 1.00 71.02 C ATOM 728 OG1 THR A 53 -9.439 -8.171 -11.792 1.00 51.44 O ATOM 729 CG2 THR A 53 -9.066 -7.766 -14.137 1.00 51.30 C ATOM 0 HA THR A 53 -10.172 -5.312 -13.454 1.00 33.10 H new ATOM 0 HB THR A 53 -10.938 -7.631 -13.111 1.00 71.02 H new ATOM 0 HG1 THR A 53 -9.514 -9.126 -11.998 1.00 51.44 H new ATOM 0 HG21 THR A 53 -9.155 -8.835 -14.331 1.00 51.30 H new ATOM 0 HG22 THR A 53 -9.430 -7.209 -15.000 1.00 51.30 H new ATOM 0 HG23 THR A 53 -8.020 -7.515 -13.959 1.00 51.30 H new ATOM 737 N ALA A 54 -11.925 -5.447 -11.578 1.00 31.11 N ATOM 738 CA ALA A 54 -12.867 -5.246 -10.475 1.00 53.33 C ATOM 739 C ALA A 54 -12.837 -6.435 -9.499 1.00 61.14 C ATOM 740 O ALA A 54 -13.207 -7.557 -9.854 1.00 25.11 O ATOM 741 CB ALA A 54 -14.277 -5.033 -11.016 1.00 50.35 C ATOM 0 H ALA A 54 -12.358 -5.459 -12.502 1.00 31.11 H new ATOM 0 HA ALA A 54 -12.564 -4.354 -9.927 1.00 53.33 H new ATOM 0 HB1 ALA A 54 -14.967 -4.885 -10.185 1.00 50.35 H new ATOM 0 HB2 ALA A 54 -14.291 -4.154 -11.660 1.00 50.35 H new ATOM 0 HB3 ALA A 54 -14.583 -5.908 -11.590 1.00 50.35 H new ATOM 747 N GLY A 55 -12.376 -6.182 -8.276 1.00 10.35 N ATOM 748 CA GLY A 55 -12.258 -7.238 -7.276 1.00 23.23 C ATOM 749 C GLY A 55 -10.844 -7.370 -6.719 1.00 42.42 C ATOM 750 O GLY A 55 -10.659 -7.746 -5.560 1.00 50.24 O ATOM 0 H GLY A 55 -12.080 -5.260 -7.956 1.00 10.35 H new ATOM 0 HA2 GLY A 55 -12.949 -7.035 -6.457 1.00 23.23 H new ATOM 0 HA3 GLY A 55 -12.559 -8.187 -7.719 1.00 23.23 H new ATOM 754 N GLN A 56 -9.840 -7.071 -7.545 1.00 71.33 N ATOM 755 CA GLN A 56 -8.439 -7.114 -7.109 1.00 71.12 C ATOM 756 C GLN A 56 -8.167 -6.129 -5.959 1.00 15.10 C ATOM 757 O GLN A 56 -8.633 -4.987 -5.985 1.00 50.41 O ATOM 758 CB GLN A 56 -7.506 -6.783 -8.282 1.00 70.25 C ATOM 759 CG GLN A 56 -7.581 -7.771 -9.439 1.00 22.23 C ATOM 760 CD GLN A 56 -7.170 -9.179 -9.049 1.00 72.01 C ATOM 761 OE1 GLN A 56 -6.352 -9.379 -8.158 1.00 12.10 O ATOM 762 NE2 GLN A 56 -7.731 -10.162 -9.720 1.00 53.42 N ATOM 0 H GLN A 56 -9.968 -6.796 -8.519 1.00 71.33 H new ATOM 0 HA GLN A 56 -8.245 -8.125 -6.751 1.00 71.12 H new ATOM 0 HB2 GLN A 56 -7.747 -5.787 -8.653 1.00 70.25 H new ATOM 0 HB3 GLN A 56 -6.480 -6.747 -7.916 1.00 70.25 H new ATOM 0 HG2 GLN A 56 -8.600 -7.791 -9.826 1.00 22.23 H new ATOM 0 HG3 GLN A 56 -6.939 -7.423 -10.248 1.00 22.23 H new ATOM 0 HE21 GLN A 56 -8.408 -9.957 -10.455 1.00 53.42 H new ATOM 0 HE22 GLN A 56 -7.489 -11.129 -9.505 1.00 53.42 H new ATOM 771 N CYS A 57 -7.400 -6.574 -4.960 1.00 54.03 N ATOM 772 CA CYS A 57 -6.950 -5.689 -3.873 1.00 45.11 C ATOM 773 C CYS A 57 -6.320 -4.412 -4.448 1.00 13.11 C ATOM 774 O CYS A 57 -6.568 -3.303 -3.971 1.00 32.15 O ATOM 775 CB CYS A 57 -5.917 -6.408 -2.987 1.00 71.43 C ATOM 776 SG CYS A 57 -6.465 -8.005 -2.322 1.00 12.22 S ATOM 0 H CYS A 57 -7.077 -7.538 -4.878 1.00 54.03 H new ATOM 0 HA CYS A 57 -7.819 -5.424 -3.271 1.00 45.11 H new ATOM 0 HB2 CYS A 57 -5.008 -6.565 -3.567 1.00 71.43 H new ATOM 0 HB3 CYS A 57 -5.655 -5.754 -2.155 1.00 71.43 H new ATOM 0 HG CYS A 57 -5.666 -8.374 -1.366 1.00 12.22 H new ATOM 782 N THR A 58 -5.522 -4.595 -5.497 1.00 44.53 N ATOM 783 CA THR A 58 -4.848 -3.489 -6.189 1.00 1.13 C ATOM 784 C THR A 58 -5.845 -2.463 -6.752 1.00 25.22 C ATOM 785 O THR A 58 -5.601 -1.258 -6.711 1.00 51.51 O ATOM 786 CB THR A 58 -3.984 -4.026 -7.354 1.00 44.34 C ATOM 787 OG1 THR A 58 -4.807 -4.747 -8.284 1.00 43.14 O ATOM 788 CG2 THR A 58 -2.876 -4.946 -6.845 1.00 71.05 C ATOM 0 H THR A 58 -5.322 -5.513 -5.895 1.00 44.53 H new ATOM 0 HA THR A 58 -4.220 -2.994 -5.448 1.00 1.13 H new ATOM 0 HB THR A 58 -3.525 -3.171 -7.850 1.00 44.34 H new ATOM 0 HG1 THR A 58 -4.253 -5.082 -9.020 1.00 43.14 H new ATOM 0 HG21 THR A 58 -2.287 -5.307 -7.688 1.00 71.05 H new ATOM 0 HG22 THR A 58 -2.231 -4.395 -6.161 1.00 71.05 H new ATOM 0 HG23 THR A 58 -3.319 -5.794 -6.322 1.00 71.05 H new ATOM 796 N TRP A 59 -6.963 -2.958 -7.283 1.00 41.04 N ATOM 797 CA TRP A 59 -8.011 -2.105 -7.862 1.00 34.12 C ATOM 798 C TRP A 59 -8.597 -1.141 -6.814 1.00 13.22 C ATOM 799 O TRP A 59 -8.642 0.073 -7.030 1.00 31.32 O ATOM 800 CB TRP A 59 -9.116 -2.994 -8.462 1.00 14.13 C ATOM 801 CG TRP A 59 -10.279 -2.240 -9.042 1.00 33.10 C ATOM 802 CD1 TRP A 59 -10.317 -1.572 -10.232 1.00 21.43 C ATOM 803 CD2 TRP A 59 -11.582 -2.100 -8.460 1.00 42.52 C ATOM 804 NE1 TRP A 59 -11.559 -1.016 -10.420 1.00 22.04 N ATOM 805 CE2 TRP A 59 -12.353 -1.326 -9.347 1.00 24.34 C ATOM 806 CE3 TRP A 59 -12.169 -2.553 -7.273 1.00 73.44 C ATOM 807 CZ2 TRP A 59 -13.681 -0.996 -9.084 1.00 12.00 C ATOM 808 CZ3 TRP A 59 -13.486 -2.222 -7.012 1.00 33.45 C ATOM 809 CH2 TRP A 59 -14.230 -1.451 -7.916 1.00 23.31 C ATOM 0 H TRP A 59 -7.171 -3.956 -7.326 1.00 41.04 H new ATOM 0 HA TRP A 59 -7.568 -1.494 -8.649 1.00 34.12 H new ATOM 0 HB2 TRP A 59 -8.679 -3.618 -9.242 1.00 14.13 H new ATOM 0 HB3 TRP A 59 -9.485 -3.665 -7.687 1.00 14.13 H new ATOM 0 HD1 TRP A 59 -9.492 -1.492 -10.924 1.00 21.43 H new ATOM 0 HE1 TRP A 59 -11.844 -0.462 -11.228 1.00 22.04 H new ATOM 0 HE3 TRP A 59 -11.603 -3.150 -6.573 1.00 73.44 H new ATOM 0 HZ2 TRP A 59 -14.257 -0.402 -9.778 1.00 12.00 H new ATOM 0 HZ3 TRP A 59 -13.949 -2.563 -6.098 1.00 33.45 H new ATOM 0 HH2 TRP A 59 -15.258 -1.211 -7.686 1.00 23.31 H new ATOM 820 N TYR A 60 -9.031 -1.688 -5.678 1.00 12.43 N ATOM 821 CA TYR A 60 -9.589 -0.878 -4.588 1.00 32.30 C ATOM 822 C TYR A 60 -8.564 0.136 -4.048 1.00 62.42 C ATOM 823 O TYR A 60 -8.866 1.322 -3.893 1.00 13.44 O ATOM 824 CB TYR A 60 -10.087 -1.783 -3.451 1.00 51.55 C ATOM 825 CG TYR A 60 -10.471 -1.021 -2.190 1.00 45.15 C ATOM 826 CD1 TYR A 60 -11.615 -0.226 -2.149 1.00 62.23 C ATOM 827 CD2 TYR A 60 -9.676 -1.084 -1.049 1.00 60.14 C ATOM 828 CE1 TYR A 60 -11.952 0.479 -1.008 1.00 32.24 C ATOM 829 CE2 TYR A 60 -10.007 -0.377 0.089 1.00 41.21 C ATOM 830 CZ TYR A 60 -11.145 0.400 0.107 1.00 5.25 C ATOM 831 OH TYR A 60 -11.464 1.114 1.241 1.00 25.04 O ATOM 0 H TYR A 60 -9.008 -2.690 -5.486 1.00 12.43 H new ATOM 0 HA TYR A 60 -10.430 -0.316 -4.994 1.00 32.30 H new ATOM 0 HB2 TYR A 60 -10.950 -2.350 -3.800 1.00 51.55 H new ATOM 0 HB3 TYR A 60 -9.309 -2.506 -3.206 1.00 51.55 H new ATOM 0 HD1 TYR A 60 -12.248 -0.160 -3.022 1.00 62.23 H new ATOM 0 HD2 TYR A 60 -8.786 -1.696 -1.054 1.00 60.14 H new ATOM 0 HE1 TYR A 60 -12.843 1.089 -0.990 1.00 32.24 H new ATOM 0 HE2 TYR A 60 -9.376 -0.433 0.963 1.00 41.21 H new ATOM 0 HH TYR A 60 -11.929 0.530 1.875 1.00 25.04 H new ATOM 841 N VAL A 61 -7.356 -0.340 -3.753 1.00 15.21 N ATOM 842 CA VAL A 61 -6.291 0.526 -3.238 1.00 61.01 C ATOM 843 C VAL A 61 -5.955 1.651 -4.231 1.00 34.05 C ATOM 844 O VAL A 61 -5.681 2.788 -3.834 1.00 54.20 O ATOM 845 CB VAL A 61 -5.013 -0.288 -2.920 1.00 54.04 C ATOM 846 CG1 VAL A 61 -3.897 0.616 -2.393 1.00 13.03 C ATOM 847 CG2 VAL A 61 -5.329 -1.402 -1.921 1.00 42.03 C ATOM 0 H VAL A 61 -7.088 -1.318 -3.861 1.00 15.21 H new ATOM 0 HA VAL A 61 -6.661 0.974 -2.316 1.00 61.01 H new ATOM 0 HB VAL A 61 -4.659 -0.742 -3.846 1.00 54.04 H new ATOM 0 HG11 VAL A 61 -3.013 0.015 -2.179 1.00 13.03 H new ATOM 0 HG12 VAL A 61 -3.652 1.367 -3.144 1.00 13.03 H new ATOM 0 HG13 VAL A 61 -4.230 1.110 -1.480 1.00 13.03 H new ATOM 0 HG21 VAL A 61 -4.422 -1.966 -1.706 1.00 42.03 H new ATOM 0 HG22 VAL A 61 -5.712 -0.966 -0.998 1.00 42.03 H new ATOM 0 HG23 VAL A 61 -6.079 -2.069 -2.345 1.00 42.03 H new ATOM 857 N TYR A 62 -6.001 1.332 -5.523 1.00 25.45 N ATOM 858 CA TYR A 62 -5.750 2.318 -6.575 1.00 23.32 C ATOM 859 C TYR A 62 -6.736 3.496 -6.477 1.00 44.11 C ATOM 860 O TYR A 62 -6.364 4.652 -6.693 1.00 54.24 O ATOM 861 CB TYR A 62 -5.853 1.650 -7.952 1.00 41.43 C ATOM 862 CG TYR A 62 -5.338 2.508 -9.094 1.00 34.21 C ATOM 863 CD1 TYR A 62 -4.004 2.895 -9.140 1.00 71.25 C ATOM 864 CD2 TYR A 62 -6.173 2.920 -10.129 1.00 74.20 C ATOM 865 CE1 TYR A 62 -3.518 3.667 -10.175 1.00 73.44 C ATOM 866 CE2 TYR A 62 -5.689 3.690 -11.174 1.00 10.35 C ATOM 867 CZ TYR A 62 -4.359 4.061 -11.191 1.00 34.33 C ATOM 868 OH TYR A 62 -3.863 4.814 -12.233 1.00 21.23 O ATOM 0 H TYR A 62 -6.210 0.395 -5.868 1.00 25.45 H new ATOM 0 HA TYR A 62 -4.742 2.712 -6.443 1.00 23.32 H new ATOM 0 HB2 TYR A 62 -5.294 0.714 -7.933 1.00 41.43 H new ATOM 0 HB3 TYR A 62 -6.895 1.395 -8.144 1.00 41.43 H new ATOM 0 HD1 TYR A 62 -3.335 2.586 -8.351 1.00 71.25 H new ATOM 0 HD2 TYR A 62 -7.215 2.635 -10.117 1.00 74.20 H new ATOM 0 HE1 TYR A 62 -2.479 3.962 -10.188 1.00 73.44 H new ATOM 0 HE2 TYR A 62 -6.349 3.999 -11.971 1.00 10.35 H new ATOM 0 HH TYR A 62 -4.584 5.009 -12.868 1.00 21.23 H new ATOM 878 N ASP A 63 -7.991 3.192 -6.145 1.00 61.21 N ATOM 879 CA ASP A 63 -9.010 4.223 -5.928 1.00 71.23 C ATOM 880 C ASP A 63 -8.708 5.046 -4.661 1.00 52.32 C ATOM 881 O ASP A 63 -8.757 6.278 -4.680 1.00 62.35 O ATOM 882 CB ASP A 63 -10.397 3.575 -5.829 1.00 34.50 C ATOM 883 CG ASP A 63 -11.489 4.577 -5.491 1.00 60.34 C ATOM 884 OD1 ASP A 63 -11.819 5.421 -6.349 1.00 24.00 O ATOM 885 OD2 ASP A 63 -12.011 4.540 -4.356 1.00 23.25 O ATOM 0 H ASP A 63 -8.328 2.238 -6.020 1.00 61.21 H new ATOM 0 HA ASP A 63 -8.995 4.904 -6.779 1.00 71.23 H new ATOM 0 HB2 ASP A 63 -10.635 3.089 -6.775 1.00 34.50 H new ATOM 0 HB3 ASP A 63 -10.376 2.796 -5.067 1.00 34.50 H new ATOM 890 N LYS A 64 -8.383 4.357 -3.564 1.00 42.40 N ATOM 891 CA LYS A 64 -8.073 5.023 -2.288 1.00 45.40 C ATOM 892 C LYS A 64 -6.874 5.984 -2.408 1.00 53.12 C ATOM 893 O LYS A 64 -6.829 7.020 -1.742 1.00 34.03 O ATOM 894 CB LYS A 64 -7.794 3.979 -1.195 1.00 73.50 C ATOM 895 CG LYS A 64 -9.010 3.135 -0.813 1.00 42.42 C ATOM 896 CD LYS A 64 -10.120 3.979 -0.183 1.00 41.42 C ATOM 897 CE LYS A 64 -9.712 4.557 1.174 1.00 70.44 C ATOM 898 NZ LYS A 64 -9.612 3.509 2.230 1.00 62.14 N ATOM 0 H LYS A 64 -8.327 3.339 -3.530 1.00 42.40 H new ATOM 0 HA LYS A 64 -8.946 5.616 -2.016 1.00 45.40 H new ATOM 0 HB2 LYS A 64 -6.998 3.317 -1.535 1.00 73.50 H new ATOM 0 HB3 LYS A 64 -7.426 4.490 -0.305 1.00 73.50 H new ATOM 0 HG2 LYS A 64 -9.396 2.633 -1.700 1.00 42.42 H new ATOM 0 HG3 LYS A 64 -8.705 2.357 -0.113 1.00 42.42 H new ATOM 0 HD2 LYS A 64 -10.382 4.794 -0.858 1.00 41.42 H new ATOM 0 HD3 LYS A 64 -11.014 3.367 -0.061 1.00 41.42 H new ATOM 0 HE2 LYS A 64 -8.752 5.064 1.076 1.00 70.44 H new ATOM 0 HE3 LYS A 64 -10.440 5.309 1.480 1.00 70.44 H new ATOM 0 HZ1 LYS A 64 -9.083 3.885 3.043 1.00 62.14 H new ATOM 0 HZ2 LYS A 64 -10.567 3.233 2.536 1.00 62.14 H new ATOM 0 HZ3 LYS A 64 -9.117 2.678 1.849 1.00 62.14 H new ATOM 912 N VAL A 65 -5.906 5.638 -3.254 1.00 10.25 N ATOM 913 CA VAL A 65 -4.726 6.491 -3.472 1.00 75.40 C ATOM 914 C VAL A 65 -4.970 7.516 -4.605 1.00 44.21 C ATOM 915 O VAL A 65 -4.041 8.166 -5.093 1.00 42.44 O ATOM 916 CB VAL A 65 -3.472 5.625 -3.789 1.00 13.34 C ATOM 917 CG1 VAL A 65 -3.566 5.000 -5.182 1.00 11.22 C ATOM 918 CG2 VAL A 65 -2.182 6.433 -3.629 1.00 2.53 C ATOM 0 H VAL A 65 -5.910 4.777 -3.801 1.00 10.25 H new ATOM 0 HA VAL A 65 -4.546 7.045 -2.550 1.00 75.40 H new ATOM 0 HB VAL A 65 -3.443 4.812 -3.064 1.00 13.34 H new ATOM 0 HG11 VAL A 65 -2.675 4.401 -5.373 1.00 11.22 H new ATOM 0 HG12 VAL A 65 -4.449 4.364 -5.236 1.00 11.22 H new ATOM 0 HG13 VAL A 65 -3.640 5.789 -5.930 1.00 11.22 H new ATOM 0 HG21 VAL A 65 -1.325 5.799 -3.858 1.00 2.53 H new ATOM 0 HG22 VAL A 65 -2.198 7.282 -4.312 1.00 2.53 H new ATOM 0 HG23 VAL A 65 -2.103 6.793 -2.603 1.00 2.53 H new ATOM 928 N GLY A 66 -6.232 7.650 -5.022 1.00 25.31 N ATOM 929 CA GLY A 66 -6.597 8.614 -6.060 1.00 51.01 C ATOM 930 C GLY A 66 -5.970 8.320 -7.424 1.00 32.15 C ATOM 931 O GLY A 66 -5.974 9.174 -8.313 1.00 44.53 O ATOM 0 H GLY A 66 -7.014 7.105 -4.658 1.00 25.31 H new ATOM 0 HA2 GLY A 66 -7.682 8.628 -6.165 1.00 51.01 H new ATOM 0 HA3 GLY A 66 -6.295 9.611 -5.739 1.00 51.01 H new ATOM 935 N GLY A 67 -5.432 7.111 -7.589 1.00 63.52 N ATOM 936 CA GLY A 67 -4.779 6.733 -8.840 1.00 14.45 C ATOM 937 C GLY A 67 -3.483 7.498 -9.128 1.00 72.02 C ATOM 938 O GLY A 67 -2.914 7.368 -10.210 1.00 54.01 O ATOM 0 H GLY A 67 -5.436 6.382 -6.876 1.00 63.52 H new ATOM 0 HA2 GLY A 67 -4.560 5.666 -8.814 1.00 14.45 H new ATOM 0 HA3 GLY A 67 -5.474 6.896 -9.663 1.00 14.45 H new ATOM 942 N ASN A 68 -2.996 8.268 -8.149 1.00 31.23 N ATOM 943 CA ASN A 68 -1.795 9.105 -8.334 1.00 32.05 C ATOM 944 C ASN A 68 -0.539 8.274 -8.664 1.00 62.41 C ATOM 945 O ASN A 68 0.436 8.798 -9.206 1.00 42.22 O ATOM 946 CB ASN A 68 -1.534 9.945 -7.076 1.00 74.30 C ATOM 947 CG ASN A 68 -2.656 10.923 -6.781 1.00 73.34 C ATOM 948 OD1 ASN A 68 -3.315 11.429 -7.683 1.00 13.34 O ATOM 949 ND2 ASN A 68 -2.878 11.205 -5.514 1.00 71.13 N ATOM 0 H ASN A 68 -3.411 8.332 -7.220 1.00 31.23 H new ATOM 0 HA ASN A 68 -1.994 9.756 -9.185 1.00 32.05 H new ATOM 0 HB2 ASN A 68 -1.403 9.281 -6.222 1.00 74.30 H new ATOM 0 HB3 ASN A 68 -0.601 10.495 -7.199 1.00 74.30 H new ATOM 0 HD21 ASN A 68 -3.616 11.861 -5.259 1.00 71.13 H new ATOM 0 HD22 ASN A 68 -2.312 10.767 -4.787 1.00 71.13 H new ATOM 956 N ILE A 69 -0.569 6.985 -8.333 1.00 13.33 N ATOM 957 CA ILE A 69 0.586 6.099 -8.535 1.00 23.11 C ATOM 958 C ILE A 69 0.715 5.604 -9.989 1.00 12.13 C ATOM 959 O ILE A 69 1.824 5.465 -10.508 1.00 72.12 O ATOM 960 CB ILE A 69 0.512 4.866 -7.597 1.00 63.20 C ATOM 961 CG1 ILE A 69 -0.813 4.108 -7.796 1.00 24.24 C ATOM 962 CG2 ILE A 69 0.680 5.293 -6.139 1.00 72.14 C ATOM 963 CD1 ILE A 69 -0.918 2.827 -6.993 1.00 72.34 C ATOM 0 H ILE A 69 -1.381 6.525 -7.922 1.00 13.33 H new ATOM 0 HA ILE A 69 1.464 6.700 -8.299 1.00 23.11 H new ATOM 0 HB ILE A 69 1.328 4.190 -7.852 1.00 63.20 H new ATOM 0 HG12 ILE A 69 -1.639 4.764 -7.523 1.00 24.24 H new ATOM 0 HG13 ILE A 69 -0.929 3.872 -8.854 1.00 24.24 H new ATOM 0 HG21 ILE A 69 0.626 4.416 -5.494 1.00 72.14 H new ATOM 0 HG22 ILE A 69 1.648 5.778 -6.011 1.00 72.14 H new ATOM 0 HG23 ILE A 69 -0.113 5.990 -5.870 1.00 72.14 H new ATOM 0 HD11 ILE A 69 -1.880 2.353 -7.188 1.00 72.34 H new ATOM 0 HD12 ILE A 69 -0.114 2.150 -7.282 1.00 72.34 H new ATOM 0 HD13 ILE A 69 -0.836 3.056 -5.930 1.00 72.34 H new ATOM 975 N GLY A 70 -0.420 5.358 -10.644 1.00 35.32 N ATOM 976 CA GLY A 70 -0.410 4.714 -11.958 1.00 63.53 C ATOM 977 C GLY A 70 -0.517 3.190 -11.857 1.00 21.41 C ATOM 978 O GLY A 70 0.349 2.538 -11.274 1.00 24.44 O ATOM 0 H GLY A 70 -1.348 5.592 -10.291 1.00 35.32 H new ATOM 0 HA2 GLY A 70 -1.239 5.096 -12.554 1.00 63.53 H new ATOM 0 HA3 GLY A 70 0.508 4.978 -12.483 1.00 63.53 H new ATOM 982 N SER A 71 -1.571 2.611 -12.439 1.00 53.32 N ATOM 983 CA SER A 71 -1.848 1.166 -12.294 1.00 30.32 C ATOM 984 C SER A 71 -1.020 0.302 -13.258 1.00 5.33 C ATOM 985 O SER A 71 -1.353 -0.857 -13.508 1.00 54.33 O ATOM 986 CB SER A 71 -3.342 0.888 -12.519 1.00 22.31 C ATOM 987 OG SER A 71 -3.708 1.073 -13.876 1.00 70.21 O ATOM 0 H SER A 71 -2.248 3.112 -13.014 1.00 53.32 H new ATOM 0 HA SER A 71 -1.561 0.893 -11.278 1.00 30.32 H new ATOM 0 HB2 SER A 71 -3.573 -0.133 -12.215 1.00 22.31 H new ATOM 0 HB3 SER A 71 -3.935 1.550 -11.888 1.00 22.31 H new ATOM 0 HG SER A 71 -4.664 0.887 -13.985 1.00 70.21 H new ATOM 993 N THR A 72 0.081 0.849 -13.764 1.00 52.42 N ATOM 994 CA THR A 72 0.924 0.139 -14.738 1.00 63.04 C ATOM 995 C THR A 72 2.033 -0.678 -14.052 1.00 45.01 C ATOM 996 O THR A 72 2.955 -1.165 -14.706 1.00 14.32 O ATOM 997 CB THR A 72 1.557 1.130 -15.749 1.00 2.33 C ATOM 998 OG1 THR A 72 2.288 0.424 -16.766 1.00 74.44 O ATOM 999 CG2 THR A 72 2.482 2.122 -15.048 1.00 74.31 C ATOM 0 H THR A 72 0.416 1.781 -13.520 1.00 52.42 H new ATOM 0 HA THR A 72 0.273 -0.553 -15.272 1.00 63.04 H new ATOM 0 HB THR A 72 0.742 1.684 -16.215 1.00 2.33 H new ATOM 0 HG1 THR A 72 2.797 -0.306 -16.356 1.00 74.44 H new ATOM 0 HG21 THR A 72 2.910 2.803 -15.784 1.00 74.31 H new ATOM 0 HG22 THR A 72 1.914 2.692 -14.313 1.00 74.31 H new ATOM 0 HG23 THR A 72 3.283 1.580 -14.546 1.00 74.31 H new ATOM 1007 N TRP A 73 1.929 -0.840 -12.734 1.00 14.12 N ATOM 1008 CA TRP A 73 2.936 -1.581 -11.964 1.00 52.44 C ATOM 1009 C TRP A 73 2.683 -3.101 -12.008 1.00 5.21 C ATOM 1010 O TRP A 73 3.620 -3.898 -11.916 1.00 15.22 O ATOM 1011 CB TRP A 73 2.967 -1.084 -10.514 1.00 33.22 C ATOM 1012 CG TRP A 73 3.356 0.365 -10.377 1.00 50.44 C ATOM 1013 CD1 TRP A 73 3.771 1.206 -11.374 1.00 60.51 C ATOM 1014 CD2 TRP A 73 3.372 1.139 -9.170 1.00 30.41 C ATOM 1015 NE1 TRP A 73 4.041 2.449 -10.859 1.00 4.45 N ATOM 1016 CE2 TRP A 73 3.803 2.434 -9.512 1.00 54.15 C ATOM 1017 CE3 TRP A 73 3.062 0.866 -7.833 1.00 2.24 C ATOM 1018 CZ2 TRP A 73 3.931 3.450 -8.572 1.00 35.40 C ATOM 1019 CZ3 TRP A 73 3.193 1.876 -6.898 1.00 32.21 C ATOM 1020 CH2 TRP A 73 3.625 3.156 -7.273 1.00 51.13 C ATOM 0 H TRP A 73 1.160 -0.470 -12.175 1.00 14.12 H new ATOM 0 HA TRP A 73 3.907 -1.397 -12.424 1.00 52.44 H new ATOM 0 HB2 TRP A 73 1.983 -1.230 -10.068 1.00 33.22 H new ATOM 0 HB3 TRP A 73 3.668 -1.694 -9.945 1.00 33.22 H new ATOM 0 HD1 TRP A 73 3.871 0.932 -12.414 1.00 60.51 H new ATOM 0 HE1 TRP A 73 4.367 3.254 -11.394 1.00 4.45 H new ATOM 0 HE3 TRP A 73 2.726 -0.117 -7.537 1.00 2.24 H new ATOM 0 HZ2 TRP A 73 4.261 4.438 -8.858 1.00 35.40 H new ATOM 0 HZ3 TRP A 73 2.959 1.676 -5.863 1.00 32.21 H new ATOM 0 HH2 TRP A 73 3.718 3.925 -6.520 1.00 51.13 H new ATOM 1031 N GLY A 74 1.414 -3.494 -12.132 1.00 13.31 N ATOM 1032 CA GLY A 74 1.067 -4.904 -12.301 1.00 50.43 C ATOM 1033 C GLY A 74 0.979 -5.682 -10.989 1.00 12.14 C ATOM 1034 O GLY A 74 0.257 -5.289 -10.069 1.00 32.12 O ATOM 0 H GLY A 74 0.615 -2.860 -12.119 1.00 13.31 H new ATOM 0 HA2 GLY A 74 0.110 -4.973 -12.818 1.00 50.43 H new ATOM 0 HA3 GLY A 74 1.810 -5.376 -12.943 1.00 50.43 H new ATOM 1038 N ASN A 75 1.714 -6.792 -10.909 1.00 42.02 N ATOM 1039 CA ASN A 75 1.693 -7.665 -9.728 1.00 24.33 C ATOM 1040 C ASN A 75 2.111 -6.912 -8.457 1.00 31.22 C ATOM 1041 O ASN A 75 3.055 -6.122 -8.472 1.00 44.01 O ATOM 1042 CB ASN A 75 2.609 -8.873 -9.951 1.00 4.33 C ATOM 1043 CG ASN A 75 2.135 -9.743 -11.100 1.00 23.40 C ATOM 1044 OD1 ASN A 75 0.945 -9.849 -11.363 1.00 1.35 O ATOM 1045 ND2 ASN A 75 3.060 -10.370 -11.794 1.00 22.04 N ATOM 0 H ASN A 75 2.336 -7.112 -11.652 1.00 42.02 H new ATOM 0 HA ASN A 75 0.668 -8.009 -9.587 1.00 24.33 H new ATOM 0 HB2 ASN A 75 3.623 -8.527 -10.153 1.00 4.33 H new ATOM 0 HB3 ASN A 75 2.652 -9.469 -9.039 1.00 4.33 H new ATOM 0 HD21 ASN A 75 2.793 -10.966 -12.578 1.00 22.04 H new ATOM 0 HD22 ASN A 75 4.044 -10.260 -11.548 1.00 22.04 H new ATOM 1052 N ALA A 76 1.418 -7.189 -7.354 1.00 31.31 N ATOM 1053 CA ALA A 76 1.624 -6.467 -6.093 1.00 42.31 C ATOM 1054 C ALA A 76 3.092 -6.486 -5.626 1.00 1.23 C ATOM 1055 O ALA A 76 3.603 -5.476 -5.145 1.00 5.22 O ATOM 1056 CB ALA A 76 0.712 -7.035 -5.017 1.00 5.21 C ATOM 0 H ALA A 76 0.702 -7.914 -7.305 1.00 31.31 H new ATOM 0 HA ALA A 76 1.371 -5.422 -6.273 1.00 42.31 H new ATOM 0 HB1 ALA A 76 0.870 -6.495 -4.084 1.00 5.21 H new ATOM 0 HB2 ALA A 76 -0.327 -6.927 -5.327 1.00 5.21 H new ATOM 0 HB3 ALA A 76 0.939 -8.091 -4.868 1.00 5.21 H new ATOM 1062 N ASN A 77 3.771 -7.625 -5.775 1.00 73.32 N ATOM 1063 CA ASN A 77 5.185 -7.735 -5.372 1.00 64.30 C ATOM 1064 C ASN A 77 6.134 -6.965 -6.314 1.00 35.23 C ATOM 1065 O ASN A 77 7.316 -6.800 -6.007 1.00 54.24 O ATOM 1066 CB ASN A 77 5.614 -9.205 -5.276 1.00 34.24 C ATOM 1067 CG ASN A 77 5.016 -9.897 -4.070 1.00 74.15 C ATOM 1068 OD1 ASN A 77 4.707 -9.261 -3.072 1.00 53.21 O ATOM 1069 ND2 ASN A 77 4.864 -11.203 -4.144 1.00 64.53 N ATOM 0 H ASN A 77 3.375 -8.479 -6.167 1.00 73.32 H new ATOM 0 HA ASN A 77 5.262 -7.274 -4.387 1.00 64.30 H new ATOM 0 HB2 ASN A 77 5.311 -9.730 -6.182 1.00 34.24 H new ATOM 0 HB3 ASN A 77 6.701 -9.262 -5.223 1.00 34.24 H new ATOM 0 HD21 ASN A 77 4.477 -11.717 -3.352 1.00 64.53 H new ATOM 0 HD22 ASN A 77 5.133 -11.700 -4.993 1.00 64.53 H new ATOM 1076 N ASN A 78 5.611 -6.485 -7.442 1.00 31.32 N ATOM 1077 CA ASN A 78 6.403 -5.690 -8.399 1.00 21.25 C ATOM 1078 C ASN A 78 6.184 -4.177 -8.186 1.00 12.11 C ATOM 1079 O ASN A 78 6.967 -3.353 -8.664 1.00 13.11 O ATOM 1080 CB ASN A 78 6.041 -6.092 -9.839 1.00 14.33 C ATOM 1081 CG ASN A 78 6.884 -5.375 -10.887 1.00 41.25 C ATOM 1082 OD1 ASN A 78 7.983 -5.802 -11.215 1.00 12.04 O ATOM 1083 ND2 ASN A 78 6.371 -4.290 -11.438 1.00 14.20 N ATOM 0 H ASN A 78 4.641 -6.630 -7.722 1.00 31.32 H new ATOM 0 HA ASN A 78 7.459 -5.898 -8.227 1.00 21.25 H new ATOM 0 HB2 ASN A 78 6.168 -7.169 -9.953 1.00 14.33 H new ATOM 0 HB3 ASN A 78 4.988 -5.875 -10.017 1.00 14.33 H new ATOM 0 HD21 ASN A 78 6.893 -3.787 -12.155 1.00 14.20 H new ATOM 0 HD22 ASN A 78 5.453 -3.955 -11.146 1.00 14.20 H new ATOM 1090 N TRP A 79 5.122 -3.822 -7.454 1.00 43.33 N ATOM 1091 CA TRP A 79 4.792 -2.413 -7.166 1.00 55.35 C ATOM 1092 C TRP A 79 5.997 -1.617 -6.632 1.00 45.04 C ATOM 1093 O TRP A 79 6.401 -0.617 -7.228 1.00 14.01 O ATOM 1094 CB TRP A 79 3.626 -2.336 -6.168 1.00 21.54 C ATOM 1095 CG TRP A 79 2.277 -2.520 -6.804 1.00 13.13 C ATOM 1096 CD1 TRP A 79 1.959 -3.354 -7.837 1.00 33.34 C ATOM 1097 CD2 TRP A 79 1.067 -1.845 -6.448 1.00 55.20 C ATOM 1098 NE1 TRP A 79 0.627 -3.232 -8.150 1.00 53.52 N ATOM 1099 CE2 TRP A 79 0.057 -2.314 -7.307 1.00 22.22 C ATOM 1100 CE3 TRP A 79 0.740 -0.889 -5.484 1.00 42.35 C ATOM 1101 CZ2 TRP A 79 -1.255 -1.857 -7.232 1.00 20.04 C ATOM 1102 CZ3 TRP A 79 -0.564 -0.437 -5.408 1.00 32.23 C ATOM 1103 CH2 TRP A 79 -1.548 -0.921 -6.278 1.00 74.12 C ATOM 0 H TRP A 79 4.470 -4.492 -7.046 1.00 43.33 H new ATOM 0 HA TRP A 79 4.500 -1.955 -8.111 1.00 55.35 H new ATOM 0 HB2 TRP A 79 3.764 -3.098 -5.401 1.00 21.54 H new ATOM 0 HB3 TRP A 79 3.652 -1.369 -5.665 1.00 21.54 H new ATOM 0 HD1 TRP A 79 2.654 -4.014 -8.336 1.00 33.34 H new ATOM 0 HE1 TRP A 79 0.142 -3.741 -8.889 1.00 53.52 H new ATOM 0 HE3 TRP A 79 1.493 -0.509 -4.809 1.00 42.35 H new ATOM 0 HZ2 TRP A 79 -2.015 -2.228 -7.903 1.00 20.04 H new ATOM 0 HZ3 TRP A 79 -0.828 0.301 -4.665 1.00 32.23 H new ATOM 0 HH2 TRP A 79 -2.558 -0.548 -6.195 1.00 74.12 H new ATOM 1114 N ALA A 80 6.567 -2.064 -5.513 1.00 75.44 N ATOM 1115 CA ALA A 80 7.730 -1.392 -4.915 1.00 15.54 C ATOM 1116 C ALA A 80 8.893 -1.260 -5.919 1.00 33.31 C ATOM 1117 O ALA A 80 9.566 -0.227 -5.975 1.00 60.15 O ATOM 1118 CB ALA A 80 8.182 -2.143 -3.667 1.00 21.25 C ATOM 0 H ALA A 80 6.247 -2.886 -5.001 1.00 75.44 H new ATOM 0 HA ALA A 80 7.427 -0.383 -4.635 1.00 15.54 H new ATOM 0 HB1 ALA A 80 9.044 -1.638 -3.231 1.00 21.25 H new ATOM 0 HB2 ALA A 80 7.369 -2.165 -2.941 1.00 21.25 H new ATOM 0 HB3 ALA A 80 8.457 -3.163 -3.936 1.00 21.25 H new ATOM 1124 N SER A 81 9.106 -2.306 -6.718 1.00 61.22 N ATOM 1125 CA SER A 81 10.177 -2.325 -7.728 1.00 31.32 C ATOM 1126 C SER A 81 10.009 -1.197 -8.758 1.00 42.31 C ATOM 1127 O SER A 81 10.986 -0.570 -9.175 1.00 53.31 O ATOM 1128 CB SER A 81 10.203 -3.679 -8.451 1.00 70.40 C ATOM 1129 OG SER A 81 10.397 -4.750 -7.539 1.00 21.45 O ATOM 0 H SER A 81 8.549 -3.160 -6.688 1.00 61.22 H new ATOM 0 HA SER A 81 11.120 -2.170 -7.204 1.00 31.32 H new ATOM 0 HB2 SER A 81 9.267 -3.823 -8.990 1.00 70.40 H new ATOM 0 HB3 SER A 81 11.002 -3.682 -9.193 1.00 70.40 H new ATOM 0 HG SER A 81 10.407 -5.599 -8.029 1.00 21.45 H new ATOM 1135 N ALA A 82 8.768 -0.950 -9.172 1.00 50.03 N ATOM 1136 CA ALA A 82 8.468 0.111 -10.143 1.00 44.14 C ATOM 1137 C ALA A 82 8.488 1.496 -9.482 1.00 74.14 C ATOM 1138 O ALA A 82 9.085 2.442 -10.005 1.00 2.42 O ATOM 1139 CB ALA A 82 7.116 -0.146 -10.800 1.00 53.25 C ATOM 0 H ALA A 82 7.950 -1.469 -8.852 1.00 50.03 H new ATOM 0 HA ALA A 82 9.244 0.097 -10.909 1.00 44.14 H new ATOM 0 HB1 ALA A 82 6.904 0.646 -11.518 1.00 53.25 H new ATOM 0 HB2 ALA A 82 7.139 -1.106 -11.316 1.00 53.25 H new ATOM 0 HB3 ALA A 82 6.338 -0.162 -10.037 1.00 53.25 H new ATOM 1145 N ALA A 83 7.847 1.600 -8.320 1.00 22.24 N ATOM 1146 CA ALA A 83 7.760 2.861 -7.572 1.00 11.32 C ATOM 1147 C ALA A 83 9.135 3.521 -7.375 1.00 71.41 C ATOM 1148 O ALA A 83 9.353 4.660 -7.796 1.00 14.11 O ATOM 1149 CB ALA A 83 7.085 2.611 -6.228 1.00 23.01 C ATOM 0 H ALA A 83 7.373 0.818 -7.868 1.00 22.24 H new ATOM 0 HA ALA A 83 7.161 3.557 -8.159 1.00 11.32 H new ATOM 0 HB1 ALA A 83 7.021 3.547 -5.673 1.00 23.01 H new ATOM 0 HB2 ALA A 83 6.082 2.217 -6.392 1.00 23.01 H new ATOM 0 HB3 ALA A 83 7.669 1.890 -5.656 1.00 23.01 H new ATOM 1155 N SER A 84 10.070 2.788 -6.773 1.00 32.20 N ATOM 1156 CA SER A 84 11.410 3.328 -6.473 1.00 75.35 C ATOM 1157 C SER A 84 12.235 3.606 -7.744 1.00 3.25 C ATOM 1158 O SER A 84 13.372 4.073 -7.664 1.00 74.12 O ATOM 1159 CB SER A 84 12.183 2.366 -5.562 1.00 42.23 C ATOM 1160 OG SER A 84 11.540 2.217 -4.308 1.00 51.01 O ATOM 0 H SER A 84 9.932 1.820 -6.481 1.00 32.20 H new ATOM 0 HA SER A 84 11.256 4.280 -5.964 1.00 75.35 H new ATOM 0 HB2 SER A 84 12.270 1.393 -6.047 1.00 42.23 H new ATOM 0 HB3 SER A 84 13.196 2.739 -5.412 1.00 42.23 H new ATOM 0 HG SER A 84 11.746 1.333 -3.938 1.00 51.01 H new ATOM 1166 N SER A 85 11.670 3.317 -8.913 1.00 34.41 N ATOM 1167 CA SER A 85 12.342 3.604 -10.193 1.00 3.23 C ATOM 1168 C SER A 85 11.553 4.624 -11.028 1.00 52.12 C ATOM 1169 O SER A 85 12.060 5.166 -12.012 1.00 32.55 O ATOM 1170 CB SER A 85 12.534 2.311 -10.992 1.00 43.04 C ATOM 1171 OG SER A 85 13.220 2.547 -12.213 1.00 33.21 O ATOM 0 H SER A 85 10.751 2.885 -9.009 1.00 34.41 H new ATOM 0 HA SER A 85 13.316 4.037 -9.966 1.00 3.23 H new ATOM 0 HB2 SER A 85 13.093 1.592 -10.393 1.00 43.04 H new ATOM 0 HB3 SER A 85 11.562 1.864 -11.201 1.00 43.04 H new ATOM 0 HG SER A 85 12.949 3.415 -12.578 1.00 33.21 H new ATOM 1177 N ALA A 86 10.312 4.893 -10.622 1.00 1.52 N ATOM 1178 CA ALA A 86 9.436 5.823 -11.350 1.00 33.13 C ATOM 1179 C ALA A 86 9.336 7.194 -10.653 1.00 43.20 C ATOM 1180 O ALA A 86 8.532 8.042 -11.049 1.00 20.24 O ATOM 1181 CB ALA A 86 8.052 5.202 -11.516 1.00 72.24 C ATOM 0 H ALA A 86 9.886 4.481 -9.792 1.00 1.52 H new ATOM 0 HA ALA A 86 9.876 5.998 -12.332 1.00 33.13 H new ATOM 0 HB1 ALA A 86 7.405 5.894 -12.056 1.00 72.24 H new ATOM 0 HB2 ALA A 86 8.136 4.271 -12.077 1.00 72.24 H new ATOM 0 HB3 ALA A 86 7.625 4.997 -10.534 1.00 72.24 H new ATOM 1187 N GLY A 87 10.160 7.413 -9.628 1.00 24.02 N ATOM 1188 CA GLY A 87 10.160 8.696 -8.922 1.00 13.42 C ATOM 1189 C GLY A 87 9.399 8.664 -7.599 1.00 61.20 C ATOM 1190 O GLY A 87 9.116 9.708 -7.010 1.00 10.13 O ATOM 0 H GLY A 87 10.828 6.730 -9.271 1.00 24.02 H new ATOM 0 HA2 GLY A 87 11.190 8.997 -8.732 1.00 13.42 H new ATOM 0 HA3 GLY A 87 9.720 9.456 -9.567 1.00 13.42 H new ATOM 1194 N TYR A 88 9.069 7.466 -7.124 1.00 12.23 N ATOM 1195 CA TYR A 88 8.327 7.314 -5.867 1.00 51.14 C ATOM 1196 C TYR A 88 9.250 6.859 -4.723 1.00 12.13 C ATOM 1197 O TYR A 88 10.347 6.351 -4.954 1.00 4.01 O ATOM 1198 CB TYR A 88 7.169 6.325 -6.052 1.00 31.22 C ATOM 1199 CG TYR A 88 6.203 6.722 -7.154 1.00 30.32 C ATOM 1200 CD1 TYR A 88 5.185 7.640 -6.918 1.00 45.10 C ATOM 1201 CD2 TYR A 88 6.315 6.187 -8.432 1.00 15.45 C ATOM 1202 CE1 TYR A 88 4.310 8.009 -7.922 1.00 14.43 C ATOM 1203 CE2 TYR A 88 5.443 6.551 -9.440 1.00 44.32 C ATOM 1204 CZ TYR A 88 4.444 7.463 -9.182 1.00 23.24 C ATOM 1205 OH TYR A 88 3.575 7.832 -10.186 1.00 23.31 O ATOM 0 H TYR A 88 9.301 6.587 -7.586 1.00 12.23 H new ATOM 0 HA TYR A 88 7.919 8.288 -5.595 1.00 51.14 H new ATOM 0 HB2 TYR A 88 7.576 5.339 -6.275 1.00 31.22 H new ATOM 0 HB3 TYR A 88 6.622 6.239 -5.113 1.00 31.22 H new ATOM 0 HD1 TYR A 88 5.077 8.072 -5.934 1.00 45.10 H new ATOM 0 HD2 TYR A 88 7.098 5.473 -8.641 1.00 15.45 H new ATOM 0 HE1 TYR A 88 3.524 8.722 -7.721 1.00 14.43 H new ATOM 0 HE2 TYR A 88 5.544 6.122 -10.426 1.00 44.32 H new ATOM 0 HH TYR A 88 2.940 7.105 -10.352 1.00 23.31 H new ATOM 1215 N THR A 89 8.788 7.029 -3.487 1.00 15.43 N ATOM 1216 CA THR A 89 9.619 6.748 -2.302 1.00 3.11 C ATOM 1217 C THR A 89 9.114 5.526 -1.526 1.00 42.44 C ATOM 1218 O THR A 89 8.167 5.621 -0.743 1.00 24.32 O ATOM 1219 CB THR A 89 9.672 7.971 -1.343 1.00 12.33 C ATOM 1220 OG1 THR A 89 10.283 9.091 -2.005 1.00 74.05 O ATOM 1221 CG2 THR A 89 10.455 7.658 -0.069 1.00 2.22 C ATOM 0 H THR A 89 7.847 7.359 -3.272 1.00 15.43 H new ATOM 0 HA THR A 89 10.622 6.538 -2.674 1.00 3.11 H new ATOM 0 HB THR A 89 8.646 8.212 -1.067 1.00 12.33 H new ATOM 0 HG1 THR A 89 10.310 9.857 -1.394 1.00 74.05 H new ATOM 0 HG21 THR A 89 10.469 8.537 0.575 1.00 2.22 H new ATOM 0 HG22 THR A 89 9.978 6.831 0.457 1.00 2.22 H new ATOM 0 HG23 THR A 89 11.477 7.382 -0.329 1.00 2.22 H new ATOM 1229 N VAL A 90 9.743 4.373 -1.745 1.00 51.31 N ATOM 1230 CA VAL A 90 9.364 3.143 -1.038 1.00 4.25 C ATOM 1231 C VAL A 90 10.213 2.938 0.226 1.00 73.12 C ATOM 1232 O VAL A 90 11.381 2.559 0.151 1.00 41.14 O ATOM 1233 CB VAL A 90 9.494 1.900 -1.951 1.00 34.21 C ATOM 1234 CG1 VAL A 90 9.086 0.629 -1.209 1.00 43.01 C ATOM 1235 CG2 VAL A 90 8.658 2.081 -3.214 1.00 63.53 C ATOM 0 H VAL A 90 10.515 4.261 -2.403 1.00 51.31 H new ATOM 0 HA VAL A 90 8.320 3.258 -0.748 1.00 4.25 H new ATOM 0 HB VAL A 90 10.540 1.796 -2.239 1.00 34.21 H new ATOM 0 HG11 VAL A 90 9.187 -0.229 -1.874 1.00 43.01 H new ATOM 0 HG12 VAL A 90 9.730 0.492 -0.340 1.00 43.01 H new ATOM 0 HG13 VAL A 90 8.050 0.715 -0.883 1.00 43.01 H new ATOM 0 HG21 VAL A 90 8.759 1.199 -3.847 1.00 63.53 H new ATOM 0 HG22 VAL A 90 7.611 2.214 -2.941 1.00 63.53 H new ATOM 0 HG23 VAL A 90 9.006 2.959 -3.758 1.00 63.53 H new ATOM 1245 N ASN A 91 9.616 3.216 1.383 1.00 24.34 N ATOM 1246 CA ASN A 91 10.272 2.999 2.683 1.00 75.21 C ATOM 1247 C ASN A 91 9.300 2.320 3.652 1.00 34.21 C ATOM 1248 O ASN A 91 8.132 2.699 3.724 1.00 44.13 O ATOM 1249 CB ASN A 91 10.748 4.327 3.298 1.00 10.11 C ATOM 1250 CG ASN A 91 11.808 5.036 2.472 1.00 51.03 C ATOM 1251 OD1 ASN A 91 12.586 4.414 1.761 1.00 13.25 O ATOM 1252 ND2 ASN A 91 11.863 6.348 2.581 1.00 12.10 N ATOM 0 H ASN A 91 8.672 3.595 1.453 1.00 24.34 H new ATOM 0 HA ASN A 91 11.140 2.361 2.515 1.00 75.21 H new ATOM 0 HB2 ASN A 91 9.891 4.989 3.419 1.00 10.11 H new ATOM 0 HB3 ASN A 91 11.145 4.134 4.295 1.00 10.11 H new ATOM 0 HD21 ASN A 91 12.568 6.874 2.064 1.00 12.10 H new ATOM 0 HD22 ASN A 91 11.200 6.838 3.182 1.00 12.10 H new ATOM 1259 N ASN A 92 9.789 1.342 4.414 1.00 61.13 N ATOM 1260 CA ASN A 92 8.945 0.579 5.353 1.00 34.41 C ATOM 1261 C ASN A 92 8.316 1.459 6.451 1.00 10.15 C ATOM 1262 O ASN A 92 7.524 0.978 7.262 1.00 55.40 O ATOM 1263 CB ASN A 92 9.754 -0.549 5.991 1.00 61.21 C ATOM 1264 CG ASN A 92 10.273 -1.527 4.958 1.00 72.32 C ATOM 1265 OD1 ASN A 92 10.705 -1.141 3.879 1.00 74.25 O ATOM 1266 ND2 ASN A 92 10.217 -2.800 5.272 1.00 73.30 N ATOM 0 H ASN A 92 10.767 1.054 4.404 1.00 61.13 H new ATOM 0 HA ASN A 92 8.124 0.165 4.769 1.00 34.41 H new ATOM 0 HB2 ASN A 92 10.593 -0.126 6.544 1.00 61.21 H new ATOM 0 HB3 ASN A 92 9.132 -1.079 6.712 1.00 61.21 H new ATOM 0 HD21 ASN A 92 10.539 -3.504 4.608 1.00 73.30 H new ATOM 0 HD22 ASN A 92 9.851 -3.086 6.180 1.00 73.30 H new ATOM 1273 N SER A 93 8.678 2.741 6.477 1.00 11.23 N ATOM 1274 CA SER A 93 8.100 3.708 7.421 1.00 22.23 C ATOM 1275 C SER A 93 6.560 3.751 7.311 1.00 15.44 C ATOM 1276 O SER A 93 6.016 4.186 6.290 1.00 30.53 O ATOM 1277 CB SER A 93 8.675 5.106 7.147 1.00 74.12 C ATOM 1278 OG SER A 93 10.096 5.085 7.110 1.00 50.44 O ATOM 0 H SER A 93 9.376 3.141 5.850 1.00 11.23 H new ATOM 0 HA SER A 93 8.360 3.391 8.431 1.00 22.23 H new ATOM 0 HB2 SER A 93 8.290 5.479 6.198 1.00 74.12 H new ATOM 0 HB3 SER A 93 8.340 5.797 7.921 1.00 74.12 H new ATOM 0 HG SER A 93 10.432 5.988 6.932 1.00 50.44 H new ATOM 1284 N PRO A 94 5.837 3.302 8.357 1.00 13.25 N ATOM 1285 CA PRO A 94 4.371 3.242 8.343 1.00 71.20 C ATOM 1286 C PRO A 94 3.707 4.597 8.642 1.00 22.11 C ATOM 1287 O PRO A 94 3.890 5.179 9.714 1.00 62.24 O ATOM 1288 CB PRO A 94 4.064 2.224 9.444 1.00 41.15 C ATOM 1289 CG PRO A 94 5.170 2.401 10.431 1.00 53.51 C ATOM 1290 CD PRO A 94 6.390 2.815 9.636 1.00 31.24 C ATOM 0 HA PRO A 94 3.981 2.969 7.362 1.00 71.20 H new ATOM 0 HB2 PRO A 94 3.091 2.412 9.899 1.00 41.15 H new ATOM 0 HB3 PRO A 94 4.041 1.208 9.051 1.00 41.15 H new ATOM 0 HG2 PRO A 94 4.913 3.159 11.171 1.00 53.51 H new ATOM 0 HG3 PRO A 94 5.357 1.475 10.975 1.00 53.51 H new ATOM 0 HD2 PRO A 94 6.955 3.594 10.149 1.00 31.24 H new ATOM 0 HD3 PRO A 94 7.070 1.977 9.483 1.00 31.24 H new ATOM 1298 N GLU A 95 2.935 5.086 7.677 1.00 65.11 N ATOM 1299 CA GLU A 95 2.216 6.362 7.810 1.00 10.52 C ATOM 1300 C GLU A 95 0.864 6.316 7.078 1.00 24.11 C ATOM 1301 O GLU A 95 0.738 5.678 6.028 1.00 72.20 O ATOM 1302 CB GLU A 95 3.064 7.507 7.239 1.00 23.52 C ATOM 1303 CG GLU A 95 2.369 8.866 7.272 1.00 64.24 C ATOM 1304 CD GLU A 95 3.174 9.959 6.589 1.00 73.02 C ATOM 1305 OE1 GLU A 95 4.048 10.561 7.247 1.00 42.41 O ATOM 1306 OE2 GLU A 95 2.939 10.220 5.388 1.00 15.41 O ATOM 0 H GLU A 95 2.786 4.617 6.783 1.00 65.11 H new ATOM 0 HA GLU A 95 2.032 6.533 8.871 1.00 10.52 H new ATOM 0 HB2 GLU A 95 3.995 7.572 7.802 1.00 23.52 H new ATOM 0 HB3 GLU A 95 3.330 7.271 6.209 1.00 23.52 H new ATOM 0 HG2 GLU A 95 1.396 8.782 6.788 1.00 64.24 H new ATOM 0 HG3 GLU A 95 2.187 9.150 8.308 1.00 64.24 H new ATOM 1313 N ALA A 96 -0.142 6.992 7.636 1.00 10.44 N ATOM 1314 CA ALA A 96 -1.460 7.096 6.998 1.00 2.22 C ATOM 1315 C ALA A 96 -1.378 7.822 5.644 1.00 20.42 C ATOM 1316 O ALA A 96 -0.762 8.886 5.531 1.00 3.45 O ATOM 1317 CB ALA A 96 -2.438 7.812 7.924 1.00 12.14 C ATOM 0 H ALA A 96 -0.071 7.477 8.530 1.00 10.44 H new ATOM 0 HA ALA A 96 -1.820 6.085 6.810 1.00 2.22 H new ATOM 0 HB1 ALA A 96 -3.412 7.883 7.440 1.00 12.14 H new ATOM 0 HB2 ALA A 96 -2.535 7.252 8.854 1.00 12.14 H new ATOM 0 HB3 ALA A 96 -2.067 8.814 8.141 1.00 12.14 H new ATOM 1323 N GLY A 97 -2.015 7.253 4.625 1.00 55.43 N ATOM 1324 CA GLY A 97 -1.944 7.826 3.284 1.00 72.12 C ATOM 1325 C GLY A 97 -0.812 7.237 2.449 1.00 32.15 C ATOM 1326 O GLY A 97 -0.028 7.965 1.839 1.00 24.41 O ATOM 0 H GLY A 97 -2.579 6.407 4.699 1.00 55.43 H new ATOM 0 HA2 GLY A 97 -2.892 7.659 2.772 1.00 72.12 H new ATOM 0 HA3 GLY A 97 -1.809 8.905 3.361 1.00 72.12 H new ATOM 1330 N SER A 98 -0.730 5.910 2.429 1.00 21.33 N ATOM 1331 CA SER A 98 0.292 5.197 1.650 1.00 63.42 C ATOM 1332 C SER A 98 -0.137 3.752 1.392 1.00 34.04 C ATOM 1333 O SER A 98 -1.189 3.312 1.855 1.00 25.15 O ATOM 1334 CB SER A 98 1.652 5.219 2.371 1.00 2.01 C ATOM 1335 OG SER A 98 1.610 4.493 3.592 1.00 23.12 O ATOM 0 H SER A 98 -1.362 5.298 2.946 1.00 21.33 H new ATOM 0 HA SER A 98 0.399 5.710 0.694 1.00 63.42 H new ATOM 0 HB2 SER A 98 2.416 4.793 1.720 1.00 2.01 H new ATOM 0 HB3 SER A 98 1.942 6.251 2.571 1.00 2.01 H new ATOM 0 HG SER A 98 1.270 5.072 4.305 1.00 23.12 H new ATOM 1341 N ILE A 99 0.680 3.021 0.645 1.00 64.33 N ATOM 1342 CA ILE A 99 0.361 1.642 0.260 1.00 72.20 C ATOM 1343 C ILE A 99 1.469 0.682 0.702 1.00 70.41 C ATOM 1344 O ILE A 99 2.625 0.851 0.325 1.00 61.20 O ATOM 1345 CB ILE A 99 0.191 1.537 -1.274 1.00 70.13 C ATOM 1346 CG1 ILE A 99 -0.798 2.606 -1.772 1.00 42.43 C ATOM 1347 CG2 ILE A 99 -0.270 0.130 -1.674 1.00 23.10 C ATOM 1348 CD1 ILE A 99 -0.873 2.720 -3.279 1.00 32.25 C ATOM 0 H ILE A 99 1.575 3.358 0.289 1.00 64.33 H new ATOM 0 HA ILE A 99 -0.571 1.367 0.754 1.00 72.20 H new ATOM 0 HB ILE A 99 1.157 1.717 -1.746 1.00 70.13 H new ATOM 0 HG12 ILE A 99 -1.791 2.376 -1.385 1.00 42.43 H new ATOM 0 HG13 ILE A 99 -0.511 3.573 -1.358 1.00 42.43 H new ATOM 0 HG21 ILE A 99 -0.383 0.078 -2.757 1.00 23.10 H new ATOM 0 HG22 ILE A 99 0.471 -0.601 -1.351 1.00 23.10 H new ATOM 0 HG23 ILE A 99 -1.226 -0.089 -1.198 1.00 23.10 H new ATOM 0 HD11 ILE A 99 -1.591 3.494 -3.550 1.00 32.25 H new ATOM 0 HD12 ILE A 99 0.109 2.982 -3.673 1.00 32.25 H new ATOM 0 HD13 ILE A 99 -1.191 1.766 -3.701 1.00 32.25 H new ATOM 1360 N LEU A 100 1.122 -0.328 1.498 1.00 3.21 N ATOM 1361 CA LEU A 100 2.122 -1.289 1.983 1.00 11.05 C ATOM 1362 C LEU A 100 2.124 -2.580 1.143 1.00 22.40 C ATOM 1363 O LEU A 100 1.098 -3.244 0.978 1.00 21.30 O ATOM 1364 CB LEU A 100 1.920 -1.603 3.486 1.00 12.40 C ATOM 1365 CG LEU A 100 0.788 -2.580 3.871 1.00 73.31 C ATOM 1366 CD1 LEU A 100 0.756 -2.786 5.385 1.00 1.13 C ATOM 1367 CD2 LEU A 100 -0.571 -2.090 3.386 1.00 2.34 C ATOM 0 H LEU A 100 0.170 -0.505 1.820 1.00 3.21 H new ATOM 0 HA LEU A 100 3.100 -0.822 1.868 1.00 11.05 H new ATOM 0 HB2 LEU A 100 2.856 -2.006 3.873 1.00 12.40 H new ATOM 0 HB3 LEU A 100 1.740 -0.661 4.004 1.00 12.40 H new ATOM 0 HG LEU A 100 0.996 -3.531 3.380 1.00 73.31 H new ATOM 0 HD11 LEU A 100 -0.047 -3.477 5.641 1.00 1.13 H new ATOM 0 HD12 LEU A 100 1.709 -3.198 5.716 1.00 1.13 H new ATOM 0 HD13 LEU A 100 0.583 -1.830 5.879 1.00 1.13 H new ATOM 0 HD21 LEU A 100 -1.341 -2.805 3.677 1.00 2.34 H new ATOM 0 HD22 LEU A 100 -0.789 -1.120 3.833 1.00 2.34 H new ATOM 0 HD23 LEU A 100 -0.557 -1.994 2.300 1.00 2.34 H new ATOM 1379 N GLN A 101 3.288 -2.914 0.592 1.00 63.31 N ATOM 1380 CA GLN A 101 3.462 -4.137 -0.193 1.00 61.24 C ATOM 1381 C GLN A 101 3.701 -5.354 0.710 1.00 73.03 C ATOM 1382 O GLN A 101 4.777 -5.509 1.294 1.00 23.34 O ATOM 1383 CB GLN A 101 4.641 -3.980 -1.173 1.00 61.33 C ATOM 1384 CG GLN A 101 5.101 -5.297 -1.796 1.00 63.40 C ATOM 1385 CD GLN A 101 6.305 -5.139 -2.710 1.00 1.52 C ATOM 1386 OE1 GLN A 101 7.446 -5.175 -2.270 1.00 44.43 O ATOM 1387 NE2 GLN A 101 6.064 -4.988 -3.993 1.00 51.01 N ATOM 0 H GLN A 101 4.134 -2.350 0.675 1.00 63.31 H new ATOM 0 HA GLN A 101 2.542 -4.302 -0.754 1.00 61.24 H new ATOM 0 HB2 GLN A 101 4.352 -3.293 -1.969 1.00 61.33 H new ATOM 0 HB3 GLN A 101 5.480 -3.524 -0.648 1.00 61.33 H new ATOM 0 HG2 GLN A 101 5.346 -6.001 -1.001 1.00 63.40 H new ATOM 0 HG3 GLN A 101 4.277 -5.731 -2.363 1.00 63.40 H new ATOM 0 HE21 GLN A 101 5.102 -4.962 -4.332 1.00 51.01 H new ATOM 0 HE22 GLN A 101 6.839 -4.897 -4.650 1.00 51.01 H new ATOM 1396 N SER A 102 2.692 -6.211 0.832 1.00 13.34 N ATOM 1397 CA SER A 102 2.846 -7.473 1.557 1.00 54.41 C ATOM 1398 C SER A 102 3.442 -8.551 0.648 1.00 41.44 C ATOM 1399 O SER A 102 2.720 -9.240 -0.076 1.00 74.30 O ATOM 1400 CB SER A 102 1.507 -7.962 2.124 1.00 74.14 C ATOM 1401 OG SER A 102 0.917 -6.999 2.982 1.00 34.10 O ATOM 0 H SER A 102 1.762 -6.058 0.441 1.00 13.34 H new ATOM 0 HA SER A 102 3.526 -7.287 2.388 1.00 54.41 H new ATOM 0 HB2 SER A 102 0.825 -8.185 1.304 1.00 74.14 H new ATOM 0 HB3 SER A 102 1.662 -8.891 2.672 1.00 74.14 H new ATOM 0 HG SER A 102 1.326 -7.059 3.871 1.00 34.10 H new ATOM 1466 N GLY A 108 1.738 -11.225 -3.934 1.00 21.33 N ATOM 1467 CA GLY A 108 1.742 -9.960 -3.212 1.00 34.23 C ATOM 1468 C GLY A 108 0.356 -9.542 -2.731 1.00 73.02 C ATOM 1469 O GLY A 108 -0.659 -9.950 -3.298 1.00 3.12 O ATOM 0 HA2 GLY A 108 2.409 -10.040 -2.354 1.00 34.23 H new ATOM 0 HA3 GLY A 108 2.146 -9.181 -3.858 1.00 34.23 H new ATOM 1473 N HIS A 109 0.316 -8.731 -1.681 1.00 11.52 N ATOM 1474 CA HIS A 109 -0.942 -8.179 -1.164 1.00 34.25 C ATOM 1475 C HIS A 109 -0.756 -6.714 -0.736 1.00 54.02 C ATOM 1476 O HIS A 109 -0.126 -6.428 0.281 1.00 65.05 O ATOM 1477 CB HIS A 109 -1.451 -9.027 0.013 1.00 1.13 C ATOM 1478 CG HIS A 109 -2.616 -8.427 0.747 1.00 41.42 C ATOM 1479 ND1 HIS A 109 -3.871 -8.352 0.181 1.00 42.14 N ATOM 1480 CD2 HIS A 109 -2.661 -7.901 1.998 1.00 33.21 C ATOM 1481 CE1 HIS A 109 -4.640 -7.784 1.097 1.00 14.33 C ATOM 1482 NE2 HIS A 109 -3.951 -7.496 2.212 1.00 11.13 N ATOM 0 H HIS A 109 1.144 -8.436 -1.164 1.00 11.52 H new ATOM 0 HA HIS A 109 -1.686 -8.208 -1.960 1.00 34.25 H new ATOM 0 HB2 HIS A 109 -1.738 -10.010 -0.360 1.00 1.13 H new ATOM 0 HB3 HIS A 109 -0.633 -9.180 0.717 1.00 1.13 H new ATOM 0 HD2 HIS A 109 -1.837 -7.818 2.691 1.00 33.21 H new ATOM 0 HE1 HIS A 109 -5.692 -7.578 0.963 1.00 14.33 H new ATOM 0 HE2 HIS A 109 -4.318 -7.059 3.057 1.00 11.13 H new ATOM 1490 N VAL A 110 -1.279 -5.788 -1.532 1.00 13.24 N ATOM 1491 CA VAL A 110 -1.174 -4.357 -1.223 1.00 70.25 C ATOM 1492 C VAL A 110 -2.495 -3.797 -0.678 1.00 71.41 C ATOM 1493 O VAL A 110 -3.576 -4.101 -1.190 1.00 55.24 O ATOM 1494 CB VAL A 110 -0.737 -3.531 -2.465 1.00 64.44 C ATOM 1495 CG1 VAL A 110 0.687 -3.891 -2.883 1.00 12.41 C ATOM 1496 CG2 VAL A 110 -1.711 -3.730 -3.625 1.00 2.12 C ATOM 0 H VAL A 110 -1.780 -5.997 -2.396 1.00 13.24 H new ATOM 0 HA VAL A 110 -0.408 -4.264 -0.453 1.00 70.25 H new ATOM 0 HB VAL A 110 -0.753 -2.476 -2.190 1.00 64.44 H new ATOM 0 HG11 VAL A 110 0.971 -3.300 -3.754 1.00 12.41 H new ATOM 0 HG12 VAL A 110 1.372 -3.679 -2.062 1.00 12.41 H new ATOM 0 HG13 VAL A 110 0.736 -4.951 -3.132 1.00 12.41 H new ATOM 0 HG21 VAL A 110 -1.382 -3.141 -4.481 1.00 2.12 H new ATOM 0 HG22 VAL A 110 -1.740 -4.785 -3.899 1.00 2.12 H new ATOM 0 HG23 VAL A 110 -2.707 -3.406 -3.323 1.00 2.12 H new ATOM 1506 N ALA A 111 -2.394 -2.986 0.370 1.00 71.54 N ATOM 1507 CA ALA A 111 -3.558 -2.341 0.981 1.00 61.44 C ATOM 1508 C ALA A 111 -3.274 -0.860 1.260 1.00 4.13 C ATOM 1509 O ALA A 111 -2.114 -0.440 1.328 1.00 52.15 O ATOM 1510 CB ALA A 111 -3.955 -3.070 2.262 1.00 21.12 C ATOM 0 H ALA A 111 -1.508 -2.756 0.821 1.00 71.54 H new ATOM 0 HA ALA A 111 -4.392 -2.396 0.281 1.00 61.44 H new ATOM 0 HB1 ALA A 111 -4.822 -2.580 2.706 1.00 21.12 H new ATOM 0 HB2 ALA A 111 -4.203 -4.106 2.029 1.00 21.12 H new ATOM 0 HB3 ALA A 111 -3.124 -3.046 2.967 1.00 21.12 H new ATOM 1516 N TYR A 112 -4.328 -0.068 1.411 1.00 52.51 N ATOM 1517 CA TYR A 112 -4.173 1.363 1.679 1.00 63.34 C ATOM 1518 C TYR A 112 -4.190 1.642 3.189 1.00 51.30 C ATOM 1519 O TYR A 112 -5.134 1.275 3.889 1.00 71.52 O ATOM 1520 CB TYR A 112 -5.279 2.163 0.978 1.00 31.32 C ATOM 1521 CG TYR A 112 -5.123 3.668 1.122 1.00 72.42 C ATOM 1522 CD1 TYR A 112 -4.154 4.356 0.399 1.00 14.45 C ATOM 1523 CD2 TYR A 112 -5.940 4.396 1.980 1.00 32.42 C ATOM 1524 CE1 TYR A 112 -4.003 5.725 0.529 1.00 63.34 C ATOM 1525 CE2 TYR A 112 -5.797 5.763 2.113 1.00 40.33 C ATOM 1526 CZ TYR A 112 -4.827 6.423 1.385 1.00 1.24 C ATOM 1527 OH TYR A 112 -4.680 7.785 1.518 1.00 12.12 O ATOM 0 H TYR A 112 -5.295 -0.386 1.354 1.00 52.51 H new ATOM 0 HA TYR A 112 -3.208 1.679 1.283 1.00 63.34 H new ATOM 0 HB2 TYR A 112 -5.286 1.906 -0.081 1.00 31.32 H new ATOM 0 HB3 TYR A 112 -6.245 1.865 1.385 1.00 31.32 H new ATOM 0 HD1 TYR A 112 -3.509 3.812 -0.275 1.00 14.45 H new ATOM 0 HD2 TYR A 112 -6.699 3.884 2.552 1.00 32.42 H new ATOM 0 HE1 TYR A 112 -3.244 6.244 -0.037 1.00 63.34 H new ATOM 0 HE2 TYR A 112 -6.441 6.313 2.783 1.00 40.33 H new ATOM 0 HH TYR A 112 -5.339 8.124 2.159 1.00 12.12 H new ATOM 1537 N VAL A 113 -3.138 2.287 3.682 1.00 50.34 N ATOM 1538 CA VAL A 113 -3.018 2.604 5.108 1.00 42.12 C ATOM 1539 C VAL A 113 -4.013 3.696 5.535 1.00 61.03 C ATOM 1540 O VAL A 113 -3.898 4.856 5.128 1.00 54.51 O ATOM 1541 CB VAL A 113 -1.583 3.063 5.459 1.00 23.33 C ATOM 1542 CG1 VAL A 113 -1.465 3.396 6.947 1.00 54.42 C ATOM 1543 CG2 VAL A 113 -0.562 2.001 5.051 1.00 73.23 C ATOM 0 H VAL A 113 -2.351 2.603 3.115 1.00 50.34 H new ATOM 0 HA VAL A 113 -3.248 1.687 5.651 1.00 42.12 H new ATOM 0 HB VAL A 113 -1.369 3.972 4.896 1.00 23.33 H new ATOM 0 HG11 VAL A 113 -0.447 3.716 7.169 1.00 54.42 H new ATOM 0 HG12 VAL A 113 -2.160 4.198 7.197 1.00 54.42 H new ATOM 0 HG13 VAL A 113 -1.704 2.512 7.538 1.00 54.42 H new ATOM 0 HG21 VAL A 113 0.441 2.343 5.306 1.00 73.23 H new ATOM 0 HG22 VAL A 113 -0.774 1.071 5.579 1.00 73.23 H new ATOM 0 HG23 VAL A 113 -0.624 1.830 3.976 1.00 73.23 H new ATOM 1553 N GLU A 114 -4.984 3.311 6.357 1.00 42.31 N ATOM 1554 CA GLU A 114 -5.980 4.248 6.888 1.00 72.15 C ATOM 1555 C GLU A 114 -5.407 5.082 8.043 1.00 45.20 C ATOM 1556 O GLU A 114 -5.524 6.310 8.052 1.00 50.32 O ATOM 1557 CB GLU A 114 -7.224 3.483 7.366 1.00 72.53 C ATOM 1558 CG GLU A 114 -7.962 2.740 6.256 1.00 52.12 C ATOM 1559 CD GLU A 114 -8.664 3.672 5.275 1.00 25.32 C ATOM 1560 OE1 GLU A 114 -7.997 4.219 4.376 1.00 32.32 O ATOM 1561 OE2 GLU A 114 -9.896 3.848 5.392 1.00 61.54 O ATOM 0 H GLU A 114 -5.106 2.349 6.675 1.00 42.31 H new ATOM 0 HA GLU A 114 -6.258 4.929 6.084 1.00 72.15 H new ATOM 0 HB2 GLU A 114 -6.925 2.767 8.132 1.00 72.53 H new ATOM 0 HB3 GLU A 114 -7.911 4.186 7.837 1.00 72.53 H new ATOM 0 HG2 GLU A 114 -7.253 2.116 5.711 1.00 52.12 H new ATOM 0 HG3 GLU A 114 -8.698 2.071 6.702 1.00 52.12 H new ATOM 1568 N ASN A 115 -4.780 4.409 9.009 1.00 2.24 N ATOM 1569 CA ASN A 115 -4.223 5.082 10.189 1.00 54.11 C ATOM 1570 C ASN A 115 -3.247 4.182 10.960 1.00 11.21 C ATOM 1571 O ASN A 115 -3.485 2.986 11.126 1.00 15.13 O ATOM 1572 CB ASN A 115 -5.359 5.526 11.119 1.00 63.21 C ATOM 1573 CG ASN A 115 -4.854 6.124 12.422 1.00 64.24 C ATOM 1574 OD1 ASN A 115 -4.549 7.309 12.498 1.00 33.33 O ATOM 1575 ND2 ASN A 115 -4.771 5.315 13.460 1.00 24.23 N ATOM 0 H ASN A 115 -4.644 3.398 9.000 1.00 2.24 H new ATOM 0 HA ASN A 115 -3.666 5.951 9.838 1.00 54.11 H new ATOM 0 HB2 ASN A 115 -5.978 6.260 10.604 1.00 63.21 H new ATOM 0 HB3 ASN A 115 -5.997 4.670 11.340 1.00 63.21 H new ATOM 0 HD21 ASN A 115 -4.445 5.670 14.359 1.00 24.23 H new ATOM 0 HD22 ASN A 115 -5.032 4.334 13.364 1.00 24.23 H new ATOM 1582 N VAL A 116 -2.150 4.770 11.429 1.00 3.43 N ATOM 1583 CA VAL A 116 -1.202 4.074 12.307 1.00 3.11 C ATOM 1584 C VAL A 116 -1.408 4.525 13.763 1.00 25.13 C ATOM 1585 O VAL A 116 -1.347 5.718 14.064 1.00 4.44 O ATOM 1586 CB VAL A 116 0.265 4.343 11.884 1.00 52.23 C ATOM 1587 CG1 VAL A 116 1.241 3.554 12.759 1.00 4.14 C ATOM 1588 CG2 VAL A 116 0.470 4.016 10.405 1.00 5.13 C ATOM 0 H VAL A 116 -1.891 5.733 11.216 1.00 3.43 H new ATOM 0 HA VAL A 116 -1.391 3.004 12.221 1.00 3.11 H new ATOM 0 HB VAL A 116 0.470 5.404 12.028 1.00 52.23 H new ATOM 0 HG11 VAL A 116 2.263 3.761 12.441 1.00 4.14 H new ATOM 0 HG12 VAL A 116 1.118 3.851 13.801 1.00 4.14 H new ATOM 0 HG13 VAL A 116 1.039 2.488 12.659 1.00 4.14 H new ATOM 0 HG21 VAL A 116 1.506 4.212 10.129 1.00 5.13 H new ATOM 0 HG22 VAL A 116 0.240 2.965 10.230 1.00 5.13 H new ATOM 0 HG23 VAL A 116 -0.190 4.638 9.800 1.00 5.13 H new ATOM 1598 N ASN A 117 -1.661 3.574 14.658 1.00 11.42 N ATOM 1599 CA ASN A 117 -1.969 3.897 16.060 1.00 75.01 C ATOM 1600 C ASN A 117 -0.708 4.244 16.872 1.00 50.34 C ATOM 1601 O ASN A 117 0.417 4.002 16.426 1.00 22.33 O ATOM 1602 CB ASN A 117 -2.723 2.733 16.711 1.00 63.22 C ATOM 1603 CG ASN A 117 -4.071 2.492 16.055 1.00 4.10 C ATOM 1604 OD1 ASN A 117 -5.083 3.067 16.451 1.00 74.31 O ATOM 1605 ND2 ASN A 117 -4.104 1.649 15.042 1.00 15.33 N ATOM 0 H ASN A 117 -1.660 2.576 14.445 1.00 11.42 H new ATOM 0 HA ASN A 117 -2.601 4.785 16.061 1.00 75.01 H new ATOM 0 HB2 ASN A 117 -2.120 1.827 16.644 1.00 63.22 H new ATOM 0 HB3 ASN A 117 -2.868 2.942 17.771 1.00 63.22 H new ATOM 0 HD21 ASN A 117 -4.985 1.459 14.565 1.00 15.33 H new ATOM 0 HD22 ASN A 117 -3.248 1.186 14.735 1.00 15.33 H new ATOM 1612 N SER A 118 -0.916 4.810 18.068 1.00 31.23 N ATOM 1613 CA SER A 118 0.188 5.262 18.942 1.00 65.30 C ATOM 1614 C SER A 118 1.294 4.208 19.082 1.00 54.42 C ATOM 1615 O SER A 118 2.478 4.512 18.918 1.00 52.22 O ATOM 1616 CB SER A 118 -0.343 5.625 20.340 1.00 62.15 C ATOM 1617 OG SER A 118 -1.310 6.664 20.283 1.00 54.53 O ATOM 0 H SER A 118 -1.844 4.969 18.460 1.00 31.23 H new ATOM 0 HA SER A 118 0.619 6.143 18.466 1.00 65.30 H new ATOM 0 HB2 SER A 118 -0.785 4.742 20.802 1.00 62.15 H new ATOM 0 HB3 SER A 118 0.487 5.935 20.975 1.00 62.15 H new ATOM 0 HG SER A 118 -1.626 6.867 21.188 1.00 54.53 H new ATOM 1623 N ASP A 119 0.898 2.971 19.369 1.00 42.40 N ATOM 1624 CA ASP A 119 1.847 1.871 19.570 1.00 32.42 C ATOM 1625 C ASP A 119 2.629 1.549 18.283 1.00 44.31 C ATOM 1626 O ASP A 119 3.853 1.388 18.306 1.00 2.11 O ATOM 1627 CB ASP A 119 1.092 0.631 20.060 1.00 51.32 C ATOM 1628 CG ASP A 119 0.015 0.191 19.083 1.00 34.13 C ATOM 1629 OD1 ASP A 119 -0.986 0.918 18.927 1.00 71.45 O ATOM 1630 OD2 ASP A 119 0.173 -0.871 18.450 1.00 21.05 O ATOM 0 H ASP A 119 -0.080 2.700 19.469 1.00 42.40 H new ATOM 0 HA ASP A 119 2.574 2.180 20.321 1.00 32.42 H new ATOM 0 HB2 ASP A 119 1.798 -0.186 20.212 1.00 51.32 H new ATOM 0 HB3 ASP A 119 0.637 0.843 21.028 1.00 51.32 H new ATOM 1635 N GLY A 120 1.921 1.475 17.158 1.00 62.40 N ATOM 1636 CA GLY A 120 2.561 1.137 15.891 1.00 70.43 C ATOM 1637 C GLY A 120 1.686 0.289 14.969 1.00 63.03 C ATOM 1638 O GLY A 120 1.915 0.254 13.760 1.00 43.24 O ATOM 0 H GLY A 120 0.917 1.642 17.098 1.00 62.40 H new ATOM 0 HA2 GLY A 120 2.833 2.057 15.374 1.00 70.43 H new ATOM 0 HA3 GLY A 120 3.487 0.600 16.094 1.00 70.43 H new ATOM 1642 N SER A 121 0.695 -0.410 15.532 1.00 53.01 N ATOM 1643 CA SER A 121 -0.220 -1.239 14.725 1.00 13.14 C ATOM 1644 C SER A 121 -0.919 -0.408 13.638 1.00 0.04 C ATOM 1645 O SER A 121 -1.498 0.650 13.914 1.00 74.33 O ATOM 1646 CB SER A 121 -1.271 -1.933 15.604 1.00 21.40 C ATOM 1647 OG SER A 121 -0.666 -2.814 16.542 1.00 22.15 O ATOM 0 H SER A 121 0.503 -0.422 16.534 1.00 53.01 H new ATOM 0 HA SER A 121 0.389 -2.003 14.242 1.00 13.14 H new ATOM 0 HB2 SER A 121 -1.857 -1.182 16.134 1.00 21.40 H new ATOM 0 HB3 SER A 121 -1.963 -2.491 14.973 1.00 21.40 H new ATOM 0 HG SER A 121 -0.308 -2.296 17.293 1.00 22.15 H new ATOM 1653 N VAL A 122 -0.870 -0.907 12.407 1.00 70.54 N ATOM 1654 CA VAL A 122 -1.352 -0.168 11.234 1.00 71.23 C ATOM 1655 C VAL A 122 -2.718 -0.687 10.745 1.00 71.40 C ATOM 1656 O VAL A 122 -2.864 -1.859 10.397 1.00 73.12 O ATOM 1657 CB VAL A 122 -0.329 -0.264 10.071 1.00 74.00 C ATOM 1658 CG1 VAL A 122 -0.790 0.544 8.861 1.00 41.33 C ATOM 1659 CG2 VAL A 122 1.055 0.191 10.531 1.00 63.22 C ATOM 0 H VAL A 122 -0.497 -1.831 12.190 1.00 70.54 H new ATOM 0 HA VAL A 122 -1.468 0.871 11.542 1.00 71.23 H new ATOM 0 HB VAL A 122 -0.264 -1.309 9.768 1.00 74.00 H new ATOM 0 HG11 VAL A 122 -0.053 0.457 8.063 1.00 41.33 H new ATOM 0 HG12 VAL A 122 -1.749 0.161 8.512 1.00 41.33 H new ATOM 0 HG13 VAL A 122 -0.898 1.591 9.143 1.00 41.33 H new ATOM 0 HG21 VAL A 122 1.757 0.116 9.701 1.00 63.22 H new ATOM 0 HG22 VAL A 122 1.004 1.226 10.870 1.00 63.22 H new ATOM 0 HG23 VAL A 122 1.393 -0.443 11.350 1.00 63.22 H new ATOM 1669 N GLU A 123 -3.714 0.197 10.721 1.00 62.22 N ATOM 1670 CA GLU A 123 -5.049 -0.139 10.211 1.00 2.30 C ATOM 1671 C GLU A 123 -5.151 0.160 8.706 1.00 1.33 C ATOM 1672 O GLU A 123 -4.921 1.291 8.269 1.00 5.34 O ATOM 1673 CB GLU A 123 -6.112 0.653 10.981 1.00 73.34 C ATOM 1674 CG GLU A 123 -6.156 0.323 12.468 1.00 45.44 C ATOM 1675 CD GLU A 123 -7.155 1.175 13.232 1.00 62.13 C ATOM 1676 OE1 GLU A 123 -8.340 0.788 13.316 1.00 4.54 O ATOM 1677 OE2 GLU A 123 -6.754 2.232 13.766 1.00 21.41 O ATOM 0 H GLU A 123 -3.624 1.158 11.050 1.00 62.22 H new ATOM 0 HA GLU A 123 -5.219 -1.206 10.357 1.00 2.30 H new ATOM 0 HB2 GLU A 123 -5.919 1.719 10.859 1.00 73.34 H new ATOM 0 HB3 GLU A 123 -7.090 0.454 10.543 1.00 73.34 H new ATOM 0 HG2 GLU A 123 -6.411 -0.729 12.594 1.00 45.44 H new ATOM 0 HG3 GLU A 123 -5.163 0.464 12.896 1.00 45.44 H new ATOM 1684 N VAL A 124 -5.489 -0.859 7.917 1.00 21.15 N ATOM 1685 CA VAL A 124 -5.563 -0.723 6.456 1.00 73.50 C ATOM 1686 C VAL A 124 -6.964 -1.050 5.907 1.00 23.54 C ATOM 1687 O VAL A 124 -7.698 -1.863 6.478 1.00 15.04 O ATOM 1688 CB VAL A 124 -4.520 -1.634 5.756 1.00 13.05 C ATOM 1689 CG1 VAL A 124 -3.099 -1.240 6.154 1.00 34.12 C ATOM 1690 CG2 VAL A 124 -4.783 -3.109 6.069 1.00 51.42 C ATOM 0 H VAL A 124 -5.717 -1.791 8.262 1.00 21.15 H new ATOM 0 HA VAL A 124 -5.344 0.322 6.237 1.00 73.50 H new ATOM 0 HB VAL A 124 -4.621 -1.495 4.680 1.00 13.05 H new ATOM 0 HG11 VAL A 124 -2.386 -1.893 5.651 1.00 34.12 H new ATOM 0 HG12 VAL A 124 -2.913 -0.206 5.863 1.00 34.12 H new ATOM 0 HG13 VAL A 124 -2.983 -1.339 7.233 1.00 34.12 H new ATOM 0 HG21 VAL A 124 -4.038 -3.726 5.566 1.00 51.42 H new ATOM 0 HG22 VAL A 124 -4.721 -3.269 7.145 1.00 51.42 H new ATOM 0 HG23 VAL A 124 -5.778 -3.384 5.718 1.00 51.42 H new ATOM 1700 N SER A 125 -7.326 -0.404 4.796 1.00 32.44 N ATOM 1701 CA SER A 125 -8.602 -0.672 4.116 1.00 43.44 C ATOM 1702 C SER A 125 -8.426 -1.704 2.994 1.00 64.23 C ATOM 1703 O SER A 125 -7.584 -1.535 2.107 1.00 33.34 O ATOM 1704 CB SER A 125 -9.184 0.619 3.526 1.00 14.44 C ATOM 1705 OG SER A 125 -8.327 1.174 2.534 1.00 25.33 O ATOM 0 H SER A 125 -6.754 0.310 4.345 1.00 32.44 H new ATOM 0 HA SER A 125 -9.290 -1.073 4.861 1.00 43.44 H new ATOM 0 HB2 SER A 125 -10.161 0.412 3.089 1.00 14.44 H new ATOM 0 HB3 SER A 125 -9.339 1.347 4.323 1.00 14.44 H new ATOM 0 HG SER A 125 -7.848 0.453 2.075 1.00 25.33 H new ATOM 1711 N GLU A 126 -9.232 -2.761 3.030 1.00 1.15 N ATOM 1712 CA GLU A 126 -9.142 -3.850 2.047 1.00 25.25 C ATOM 1713 C GLU A 126 -10.464 -4.053 1.292 1.00 22.31 C ATOM 1714 O GLU A 126 -11.455 -3.365 1.537 1.00 25.11 O ATOM 1715 CB GLU A 126 -8.788 -5.168 2.750 1.00 61.24 C ATOM 1716 CG GLU A 126 -7.568 -5.100 3.657 1.00 4.55 C ATOM 1717 CD GLU A 126 -7.300 -6.429 4.337 1.00 50.45 C ATOM 1718 OE1 GLU A 126 -8.052 -6.792 5.262 1.00 1.41 O ATOM 1719 OE2 GLU A 126 -6.349 -7.133 3.931 1.00 50.11 O ATOM 0 H GLU A 126 -9.961 -2.892 3.731 1.00 1.15 H new ATOM 0 HA GLU A 126 -8.366 -3.570 1.334 1.00 25.25 H new ATOM 0 HB2 GLU A 126 -9.645 -5.490 3.341 1.00 61.24 H new ATOM 0 HB3 GLU A 126 -8.618 -5.933 1.993 1.00 61.24 H new ATOM 0 HG2 GLU A 126 -6.696 -4.808 3.072 1.00 4.55 H new ATOM 0 HG3 GLU A 126 -7.718 -4.329 4.412 1.00 4.55 H new ATOM 1726 N MET A 127 -10.460 -5.019 0.380 1.00 34.12 N ATOM 1727 CA MET A 127 -11.673 -5.464 -0.305 1.00 51.44 C ATOM 1728 C MET A 127 -11.676 -6.995 -0.418 1.00 42.32 C ATOM 1729 O MET A 127 -10.889 -7.577 -1.168 1.00 64.23 O ATOM 1730 CB MET A 127 -11.788 -4.813 -1.692 1.00 31.35 C ATOM 1731 CG MET A 127 -12.967 -5.327 -2.514 1.00 13.22 C ATOM 1732 SD MET A 127 -13.280 -4.327 -3.980 1.00 54.32 S ATOM 1733 CE MET A 127 -13.812 -2.794 -3.224 1.00 65.25 C ATOM 0 H MET A 127 -9.617 -5.517 0.093 1.00 34.12 H new ATOM 0 HA MET A 127 -12.539 -5.154 0.280 1.00 51.44 H new ATOM 0 HB2 MET A 127 -11.884 -3.734 -1.571 1.00 31.35 H new ATOM 0 HB3 MET A 127 -10.866 -4.991 -2.245 1.00 31.35 H new ATOM 0 HG2 MET A 127 -12.773 -6.356 -2.816 1.00 13.22 H new ATOM 0 HG3 MET A 127 -13.861 -5.341 -1.891 1.00 13.22 H new ATOM 0 HE1 MET A 127 -14.865 -2.623 -3.450 1.00 65.25 H new ATOM 0 HE2 MET A 127 -13.678 -2.855 -2.144 1.00 65.25 H new ATOM 0 HE3 MET A 127 -13.218 -1.969 -3.617 1.00 65.25 H new ATOM 1878 N GLU A 138 -11.685 -4.159 6.955 1.00 70.45 N ATOM 1879 CA GLU A 138 -10.777 -3.354 7.786 1.00 52.50 C ATOM 1880 C GLU A 138 -9.923 -4.253 8.690 1.00 60.44 C ATOM 1881 O GLU A 138 -10.464 -5.014 9.499 1.00 54.44 O ATOM 1882 CB GLU A 138 -11.594 -2.371 8.641 1.00 0.11 C ATOM 1883 CG GLU A 138 -12.514 -1.462 7.826 1.00 62.02 C ATOM 1884 CD GLU A 138 -13.493 -0.672 8.681 1.00 63.42 C ATOM 1885 OE1 GLU A 138 -14.363 -1.298 9.326 1.00 73.00 O ATOM 1886 OE2 GLU A 138 -13.410 0.573 8.707 1.00 62.40 O ATOM 0 HA GLU A 138 -10.108 -2.796 7.131 1.00 52.50 H new ATOM 0 HB2 GLU A 138 -12.195 -2.936 9.353 1.00 0.11 H new ATOM 0 HB3 GLU A 138 -10.909 -1.753 9.222 1.00 0.11 H new ATOM 0 HG2 GLU A 138 -11.906 -0.767 7.247 1.00 62.02 H new ATOM 0 HG3 GLU A 138 -13.073 -2.068 7.113 1.00 62.02 H new ATOM 1893 N ARG A 139 -8.599 -4.168 8.557 1.00 63.35 N ATOM 1894 CA ARG A 139 -7.691 -5.037 9.323 1.00 64.24 C ATOM 1895 C ARG A 139 -6.615 -4.226 10.064 1.00 52.14 C ATOM 1896 O ARG A 139 -5.985 -3.334 9.489 1.00 14.31 O ATOM 1897 CB ARG A 139 -7.018 -6.050 8.384 1.00 64.42 C ATOM 1898 CG ARG A 139 -6.387 -7.243 9.104 1.00 42.41 C ATOM 1899 CD ARG A 139 -5.649 -8.169 8.138 1.00 53.22 C ATOM 1900 NE ARG A 139 -6.416 -8.412 6.917 1.00 51.34 N ATOM 1901 CZ ARG A 139 -6.606 -9.581 6.369 1.00 40.11 C ATOM 1902 NH1 ARG A 139 -6.168 -10.663 6.928 1.00 70.13 N ATOM 1903 NH2 ARG A 139 -7.261 -9.653 5.264 1.00 71.14 N ATOM 0 H ARG A 139 -8.129 -3.513 7.932 1.00 63.35 H new ATOM 0 HA ARG A 139 -8.288 -5.563 10.068 1.00 64.24 H new ATOM 0 HB2 ARG A 139 -7.758 -6.418 7.673 1.00 64.42 H new ATOM 0 HB3 ARG A 139 -6.248 -5.539 7.807 1.00 64.42 H new ATOM 0 HG2 ARG A 139 -5.692 -6.883 9.863 1.00 42.41 H new ATOM 0 HG3 ARG A 139 -7.163 -7.805 9.623 1.00 42.41 H new ATOM 0 HD2 ARG A 139 -4.686 -7.729 7.879 1.00 53.22 H new ATOM 0 HD3 ARG A 139 -5.444 -9.119 8.632 1.00 53.22 H new ATOM 0 HE ARG A 139 -6.836 -7.604 6.457 1.00 51.34 H new ATOM 0 HH11 ARG A 139 -5.664 -10.612 7.813 1.00 70.13 H new ATOM 0 HH12 ARG A 139 -6.327 -11.567 6.483 1.00 70.13 H new ATOM 0 HH21 ARG A 139 -7.623 -8.804 4.829 1.00 71.14 H new ATOM 0 HH22 ARG A 139 -7.418 -10.559 4.822 1.00 71.14 H new ATOM 1917 N THR A 140 -6.407 -4.540 11.342 1.00 53.51 N ATOM 1918 CA THR A 140 -5.353 -3.900 12.140 1.00 54.25 C ATOM 1919 C THR A 140 -4.096 -4.780 12.185 1.00 64.10 C ATOM 1920 O THR A 140 -4.034 -5.754 12.935 1.00 4.10 O ATOM 1921 CB THR A 140 -5.827 -3.617 13.591 1.00 11.33 C ATOM 1922 OG1 THR A 140 -7.075 -2.902 13.571 1.00 44.13 O ATOM 1923 CG2 THR A 140 -4.791 -2.805 14.364 1.00 1.41 C ATOM 0 H THR A 140 -6.954 -5.235 11.851 1.00 53.51 H new ATOM 0 HA THR A 140 -5.119 -2.951 11.657 1.00 54.25 H new ATOM 0 HB THR A 140 -5.959 -4.576 14.092 1.00 11.33 H new ATOM 0 HG1 THR A 140 -7.368 -2.729 14.490 1.00 44.13 H new ATOM 0 HG21 THR A 140 -5.152 -2.623 15.376 1.00 1.41 H new ATOM 0 HG22 THR A 140 -3.853 -3.359 14.407 1.00 1.41 H new ATOM 0 HG23 THR A 140 -4.627 -1.852 13.861 1.00 1.41 H new ATOM 1931 N ILE A 141 -3.106 -4.449 11.363 1.00 41.15 N ATOM 1932 CA ILE A 141 -1.864 -5.227 11.290 1.00 32.22 C ATOM 1933 C ILE A 141 -0.892 -4.843 12.422 1.00 0.33 C ATOM 1934 O ILE A 141 -0.715 -3.662 12.725 1.00 10.04 O ATOM 1935 CB ILE A 141 -1.167 -5.023 9.918 1.00 41.25 C ATOM 1936 CG1 ILE A 141 -2.137 -5.368 8.772 1.00 74.41 C ATOM 1937 CG2 ILE A 141 0.105 -5.868 9.823 1.00 33.34 C ATOM 1938 CD1 ILE A 141 -1.549 -5.179 7.387 1.00 31.55 C ATOM 0 H ILE A 141 -3.135 -3.646 10.735 1.00 41.15 H new ATOM 0 HA ILE A 141 -2.133 -6.277 11.404 1.00 32.22 H new ATOM 0 HB ILE A 141 -0.881 -3.975 9.828 1.00 41.25 H new ATOM 0 HG12 ILE A 141 -2.458 -6.404 8.881 1.00 74.41 H new ATOM 0 HG13 ILE A 141 -3.028 -4.747 8.865 1.00 74.41 H new ATOM 0 HG21 ILE A 141 0.576 -5.709 8.853 1.00 33.34 H new ATOM 0 HG22 ILE A 141 0.796 -5.576 10.614 1.00 33.34 H new ATOM 0 HG23 ILE A 141 -0.149 -6.922 9.934 1.00 33.34 H new ATOM 0 HD11 ILE A 141 -2.294 -5.443 6.636 1.00 31.55 H new ATOM 0 HD12 ILE A 141 -1.254 -4.138 7.256 1.00 31.55 H new ATOM 0 HD13 ILE A 141 -0.675 -5.820 7.272 1.00 31.55 H new ATOM 1950 N SER A 142 -0.268 -5.844 13.042 1.00 72.41 N ATOM 1951 CA SER A 142 0.693 -5.607 14.133 1.00 73.32 C ATOM 1952 C SER A 142 1.923 -4.827 13.642 1.00 20.33 C ATOM 1953 O SER A 142 2.352 -4.988 12.500 1.00 43.32 O ATOM 1954 CB SER A 142 1.142 -6.940 14.754 1.00 41.14 C ATOM 1955 OG SER A 142 0.034 -7.675 15.259 1.00 21.04 O ATOM 0 H SER A 142 -0.407 -6.828 12.812 1.00 72.41 H new ATOM 0 HA SER A 142 0.186 -5.007 14.889 1.00 73.32 H new ATOM 0 HB2 SER A 142 1.664 -7.535 14.005 1.00 41.14 H new ATOM 0 HB3 SER A 142 1.851 -6.748 15.559 1.00 41.14 H new ATOM 0 HG SER A 142 0.350 -8.518 15.646 1.00 21.04 H new ATOM 1961 N ALA A 143 2.494 -3.999 14.515 1.00 5.54 N ATOM 1962 CA ALA A 143 3.648 -3.156 14.161 1.00 33.35 C ATOM 1963 C ALA A 143 4.811 -3.973 13.570 1.00 63.00 C ATOM 1964 O ALA A 143 5.399 -3.592 12.555 1.00 44.42 O ATOM 1965 CB ALA A 143 4.121 -2.374 15.380 1.00 25.52 C ATOM 0 H ALA A 143 2.179 -3.890 15.479 1.00 5.54 H new ATOM 0 HA ALA A 143 3.316 -2.462 13.389 1.00 33.35 H new ATOM 0 HB1 ALA A 143 4.975 -1.754 15.106 1.00 25.52 H new ATOM 0 HB2 ALA A 143 3.312 -1.739 15.741 1.00 25.52 H new ATOM 0 HB3 ALA A 143 4.415 -3.069 16.167 1.00 25.52 H new ATOM 1971 N GLY A 144 5.135 -5.097 14.213 1.00 55.15 N ATOM 1972 CA GLY A 144 6.208 -5.965 13.731 1.00 61.13 C ATOM 1973 C GLY A 144 5.983 -6.470 12.307 1.00 2.02 C ATOM 1974 O GLY A 144 6.870 -6.373 11.453 1.00 55.24 O ATOM 0 H GLY A 144 4.673 -5.424 15.062 1.00 55.15 H new ATOM 0 HA2 GLY A 144 7.152 -5.421 13.771 1.00 61.13 H new ATOM 0 HA3 GLY A 144 6.304 -6.819 14.401 1.00 61.13 H new ATOM 1978 N GLU A 145 4.790 -7.007 12.055 1.00 51.44 N ATOM 1979 CA GLU A 145 4.420 -7.508 10.724 1.00 70.32 C ATOM 1980 C GLU A 145 4.378 -6.362 9.700 1.00 75.24 C ATOM 1981 O GLU A 145 4.892 -6.483 8.587 1.00 0.35 O ATOM 1982 CB GLU A 145 3.048 -8.200 10.792 1.00 51.42 C ATOM 1983 CG GLU A 145 2.638 -8.923 9.508 1.00 33.25 C ATOM 1984 CD GLU A 145 3.522 -10.123 9.200 1.00 71.24 C ATOM 1985 OE1 GLU A 145 3.483 -11.104 9.972 1.00 0.52 O ATOM 1986 OE2 GLU A 145 4.251 -10.102 8.184 1.00 30.21 O ATOM 0 H GLU A 145 4.057 -7.108 12.757 1.00 51.44 H new ATOM 0 HA GLU A 145 5.174 -8.227 10.403 1.00 70.32 H new ATOM 0 HB2 GLU A 145 3.058 -8.919 11.611 1.00 51.42 H new ATOM 0 HB3 GLU A 145 2.290 -7.454 11.032 1.00 51.42 H new ATOM 0 HG2 GLU A 145 1.603 -9.253 9.597 1.00 33.25 H new ATOM 0 HG3 GLU A 145 2.679 -8.223 8.673 1.00 33.25 H new ATOM 1993 N ALA A 146 3.780 -5.247 10.105 1.00 13.14 N ATOM 1994 CA ALA A 146 3.637 -4.071 9.246 1.00 24.21 C ATOM 1995 C ALA A 146 4.998 -3.511 8.800 1.00 70.40 C ATOM 1996 O ALA A 146 5.190 -3.185 7.631 1.00 1.23 O ATOM 1997 CB ALA A 146 2.837 -2.997 9.974 1.00 11.12 C ATOM 0 H ALA A 146 3.380 -5.130 11.036 1.00 13.14 H new ATOM 0 HA ALA A 146 3.105 -4.379 8.346 1.00 24.21 H new ATOM 0 HB1 ALA A 146 2.733 -2.123 9.331 1.00 11.12 H new ATOM 0 HB2 ALA A 146 1.849 -3.385 10.222 1.00 11.12 H new ATOM 0 HB3 ALA A 146 3.357 -2.714 10.890 1.00 11.12 H new ATOM 2003 N SER A 147 5.943 -3.414 9.737 1.00 13.15 N ATOM 2004 CA SER A 147 7.286 -2.883 9.436 1.00 23.52 C ATOM 2005 C SER A 147 8.037 -3.778 8.435 1.00 4.51 C ATOM 2006 O SER A 147 9.027 -3.367 7.835 1.00 74.14 O ATOM 2007 CB SER A 147 8.113 -2.746 10.724 1.00 63.33 C ATOM 2008 OG SER A 147 9.323 -2.036 10.495 1.00 43.41 O ATOM 0 H SER A 147 5.810 -3.693 10.709 1.00 13.15 H new ATOM 0 HA SER A 147 7.152 -1.900 8.985 1.00 23.52 H new ATOM 0 HB2 SER A 147 7.525 -2.229 11.482 1.00 63.33 H new ATOM 0 HB3 SER A 147 8.340 -3.736 11.118 1.00 63.33 H new ATOM 0 HG SER A 147 9.698 -2.300 9.629 1.00 43.41 H new ATOM 2014 N SER A 148 7.553 -5.008 8.261 1.00 51.23 N ATOM 2015 CA SER A 148 8.156 -5.954 7.308 1.00 32.03 C ATOM 2016 C SER A 148 7.668 -5.704 5.872 1.00 23.23 C ATOM 2017 O SER A 148 8.154 -6.328 4.925 1.00 20.21 O ATOM 2018 CB SER A 148 7.829 -7.400 7.717 1.00 30.11 C ATOM 2019 OG SER A 148 8.421 -8.350 6.834 1.00 62.12 O ATOM 0 H SER A 148 6.746 -5.377 8.765 1.00 51.23 H new ATOM 0 HA SER A 148 9.235 -5.799 7.332 1.00 32.03 H new ATOM 0 HB2 SER A 148 8.183 -7.579 8.732 1.00 30.11 H new ATOM 0 HB3 SER A 148 6.748 -7.539 7.727 1.00 30.11 H new ATOM 0 HG SER A 148 8.578 -7.932 5.962 1.00 62.12 H new ATOM 2025 N TYR A 149 6.709 -4.794 5.713 1.00 44.25 N ATOM 2026 CA TYR A 149 6.122 -4.497 4.399 1.00 32.10 C ATOM 2027 C TYR A 149 6.683 -3.192 3.803 1.00 61.31 C ATOM 2028 O TYR A 149 7.094 -2.289 4.529 1.00 13.03 O ATOM 2029 CB TYR A 149 4.594 -4.412 4.516 1.00 24.35 C ATOM 2030 CG TYR A 149 3.943 -5.702 4.998 1.00 53.05 C ATOM 2031 CD1 TYR A 149 4.435 -6.942 4.601 1.00 34.11 C ATOM 2032 CD2 TYR A 149 2.834 -5.676 5.838 1.00 42.24 C ATOM 2033 CE1 TYR A 149 3.837 -8.114 5.022 1.00 4.52 C ATOM 2034 CE2 TYR A 149 2.233 -6.846 6.264 1.00 13.52 C ATOM 2035 CZ TYR A 149 2.739 -8.061 5.853 1.00 73.03 C ATOM 2036 OH TYR A 149 2.138 -9.230 6.264 1.00 4.33 O ATOM 0 H TYR A 149 6.318 -4.245 6.479 1.00 44.25 H new ATOM 0 HA TYR A 149 6.391 -5.309 3.723 1.00 32.10 H new ATOM 0 HB2 TYR A 149 4.336 -3.606 5.203 1.00 24.35 H new ATOM 0 HB3 TYR A 149 4.178 -4.147 3.544 1.00 24.35 H new ATOM 0 HD1 TYR A 149 5.298 -6.989 3.953 1.00 34.11 H new ATOM 0 HD2 TYR A 149 2.436 -4.726 6.163 1.00 42.24 H new ATOM 0 HE1 TYR A 149 4.228 -9.068 4.701 1.00 4.52 H new ATOM 0 HE2 TYR A 149 1.372 -6.808 6.915 1.00 13.52 H new ATOM 0 HH TYR A 149 2.826 -9.899 6.464 1.00 4.33 H new ATOM 2046 N ASN A 150 6.680 -3.097 2.471 1.00 72.00 N ATOM 2047 CA ASN A 150 7.259 -1.935 1.770 1.00 23.51 C ATOM 2048 C ASN A 150 6.200 -0.849 1.507 1.00 31.12 C ATOM 2049 O ASN A 150 5.337 -1.018 0.645 1.00 15.14 O ATOM 2050 CB ASN A 150 7.870 -2.380 0.434 1.00 51.53 C ATOM 2051 CG ASN A 150 8.782 -3.585 0.574 1.00 21.44 C ATOM 2052 OD1 ASN A 150 9.965 -3.459 0.852 1.00 60.24 O ATOM 2053 ND2 ASN A 150 8.240 -4.768 0.365 1.00 62.24 N ATOM 0 H ASN A 150 6.286 -3.806 1.853 1.00 72.00 H new ATOM 0 HA ASN A 150 8.033 -1.513 2.412 1.00 23.51 H new ATOM 0 HB2 ASN A 150 7.068 -2.617 -0.265 1.00 51.53 H new ATOM 0 HB3 ASN A 150 8.434 -1.552 0.004 1.00 51.53 H new ATOM 0 HD21 ASN A 150 8.811 -5.610 0.434 1.00 62.24 H new ATOM 0 HD22 ASN A 150 7.249 -4.841 0.134 1.00 62.24 H new ATOM 2060 N TYR A 151 6.266 0.260 2.241 1.00 20.14 N ATOM 2061 CA TYR A 151 5.288 1.349 2.088 1.00 32.50 C ATOM 2062 C TYR A 151 5.678 2.330 0.970 1.00 12.52 C ATOM 2063 O TYR A 151 6.685 3.036 1.066 1.00 41.20 O ATOM 2064 CB TYR A 151 5.124 2.122 3.407 1.00 61.44 C ATOM 2065 CG TYR A 151 4.508 1.318 4.534 1.00 12.03 C ATOM 2066 CD1 TYR A 151 5.203 0.277 5.138 1.00 24.23 C ATOM 2067 CD2 TYR A 151 3.231 1.609 5.001 1.00 44.33 C ATOM 2068 CE1 TYR A 151 4.645 -0.450 6.169 1.00 11.22 C ATOM 2069 CE2 TYR A 151 2.668 0.887 6.034 1.00 22.35 C ATOM 2070 CZ TYR A 151 3.379 -0.140 6.612 1.00 73.24 C ATOM 2071 OH TYR A 151 2.823 -0.858 7.644 1.00 21.23 O ATOM 0 H TYR A 151 6.982 0.433 2.947 1.00 20.14 H new ATOM 0 HA TYR A 151 4.342 0.882 1.814 1.00 32.50 H new ATOM 0 HB2 TYR A 151 6.102 2.482 3.727 1.00 61.44 H new ATOM 0 HB3 TYR A 151 4.505 3.001 3.224 1.00 61.44 H new ATOM 0 HD1 TYR A 151 6.197 0.033 4.794 1.00 24.23 H new ATOM 0 HD2 TYR A 151 2.670 2.413 4.548 1.00 44.33 H new ATOM 0 HE1 TYR A 151 5.198 -1.257 6.626 1.00 11.22 H new ATOM 0 HE2 TYR A 151 1.676 1.127 6.387 1.00 22.35 H new ATOM 0 HH TYR A 151 2.556 -1.743 7.320 1.00 21.23 H new ATOM 2081 N ILE A 152 4.866 2.376 -0.081 1.00 62.12 N ATOM 2082 CA ILE A 152 5.050 3.342 -1.166 1.00 14.40 C ATOM 2083 C ILE A 152 4.521 4.729 -0.751 1.00 12.35 C ATOM 2084 O ILE A 152 3.323 4.907 -0.527 1.00 31.04 O ATOM 2085 CB ILE A 152 4.335 2.904 -2.480 1.00 24.44 C ATOM 2086 CG1 ILE A 152 4.866 1.548 -2.996 1.00 53.44 C ATOM 2087 CG2 ILE A 152 4.499 3.976 -3.559 1.00 73.50 C ATOM 2088 CD1 ILE A 152 4.346 0.342 -2.237 1.00 24.44 C ATOM 0 H ILE A 152 4.069 1.753 -0.207 1.00 62.12 H new ATOM 0 HA ILE A 152 6.122 3.389 -1.359 1.00 14.40 H new ATOM 0 HB ILE A 152 3.276 2.783 -2.251 1.00 24.44 H new ATOM 0 HG12 ILE A 152 4.599 1.443 -4.048 1.00 53.44 H new ATOM 0 HG13 ILE A 152 5.955 1.554 -2.943 1.00 53.44 H new ATOM 0 HG21 ILE A 152 3.994 3.655 -4.470 1.00 73.50 H new ATOM 0 HG22 ILE A 152 4.061 4.912 -3.212 1.00 73.50 H new ATOM 0 HG23 ILE A 152 5.559 4.126 -3.765 1.00 73.50 H new ATOM 0 HD11 ILE A 152 4.769 -0.567 -2.665 1.00 24.44 H new ATOM 0 HD12 ILE A 152 4.636 0.419 -1.189 1.00 24.44 H new ATOM 0 HD13 ILE A 152 3.259 0.306 -2.311 1.00 24.44 H new ATOM 2100 N HIS A 153 5.422 5.700 -0.639 1.00 62.40 N ATOM 2101 CA HIS A 153 5.053 7.075 -0.275 1.00 21.44 C ATOM 2102 C HIS A 153 5.137 8.008 -1.494 1.00 0.51 C ATOM 2103 O HIS A 153 6.030 7.871 -2.336 1.00 64.05 O ATOM 2104 CB HIS A 153 5.964 7.591 0.851 1.00 32.21 C ATOM 2105 CG HIS A 153 5.892 6.777 2.111 1.00 64.43 C ATOM 2106 ND1 HIS A 153 4.944 6.988 3.091 1.00 43.54 N ATOM 2107 CD2 HIS A 153 6.657 5.748 2.553 1.00 51.52 C ATOM 2108 CE1 HIS A 153 5.133 6.138 4.078 1.00 4.21 C ATOM 2109 NE2 HIS A 153 6.161 5.373 3.777 1.00 54.01 N ATOM 0 H HIS A 153 6.421 5.564 -0.795 1.00 62.40 H new ATOM 0 HA HIS A 153 4.022 7.067 0.079 1.00 21.44 H new ATOM 0 HB2 HIS A 153 6.994 7.602 0.495 1.00 32.21 H new ATOM 0 HB3 HIS A 153 5.694 8.622 1.080 1.00 32.21 H new ATOM 0 HD2 HIS A 153 7.498 5.307 2.039 1.00 51.52 H new ATOM 0 HE1 HIS A 153 4.544 6.078 4.982 1.00 4.21 H new ATOM 0 HE2 HIS A 153 6.530 4.622 4.360 1.00 54.01 H new ATOM 2118 N LEU A 154 4.201 8.955 -1.587 1.00 72.15 N ATOM 2119 CA LEU A 154 4.141 9.880 -2.728 1.00 31.53 C ATOM 2120 C LEU A 154 4.665 11.280 -2.356 1.00 32.31 C ATOM 2121 O LEU A 154 3.909 12.135 -1.895 1.00 12.02 O ATOM 2122 CB LEU A 154 2.698 9.988 -3.247 1.00 15.24 C ATOM 2123 CG LEU A 154 1.993 8.647 -3.520 1.00 51.05 C ATOM 2124 CD1 LEU A 154 0.587 8.880 -4.067 1.00 41.54 C ATOM 2125 CD2 LEU A 154 2.808 7.785 -4.484 1.00 31.54 C ATOM 0 H LEU A 154 3.473 9.104 -0.888 1.00 72.15 H new ATOM 0 HA LEU A 154 4.783 9.477 -3.511 1.00 31.53 H new ATOM 0 HB2 LEU A 154 2.109 10.547 -2.520 1.00 15.24 H new ATOM 0 HB3 LEU A 154 2.704 10.570 -4.168 1.00 15.24 H new ATOM 0 HG LEU A 154 1.911 8.111 -2.574 1.00 51.05 H new ATOM 0 HD11 LEU A 154 0.105 7.920 -4.253 1.00 41.54 H new ATOM 0 HD12 LEU A 154 0.003 9.444 -3.340 1.00 41.54 H new ATOM 0 HD13 LEU A 154 0.648 9.443 -4.999 1.00 41.54 H new ATOM 0 HD21 LEU A 154 2.287 6.844 -4.659 1.00 31.54 H new ATOM 0 HD22 LEU A 154 2.931 8.313 -5.429 1.00 31.54 H new ATOM 0 HD23 LEU A 154 3.788 7.582 -4.051 1.00 31.54 H new