USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0234 (180deg=-0.177) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 3 ASN : amide:sc= -0.0808 K(o=-0.081,f=-1.5!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -130:sc= 1.2 (180deg=-0.332) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -65:sc= 0.219 USER MOD Single : A 19 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.6!) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 158:sc= -0.14 (180deg=-0.795) USER MOD Single : A 27 SER OG : rot 81:sc= 1.28 USER MOD Single : A 32 GLN : amide:sc= -3.11! C(o=-3.1!,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -129:sc= 1.21 USER MOD Single : A 43 ASN : amide:sc= -3.23! C(o=-3.2!,f=-8.8!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 51 THR OG1 : rot 59:sc= 0.675 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.886 K(o=0.89,f=-4.2!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 68 LYS NZ :NH3+ -111:sc= 0.935 (180deg=-0.23) USER MOD Single : A 71 CYS SG : rot 101:sc= 1.01 USER MOD Single : A 72 HIS :FLIP no HE2:sc= -0.167 F(o=-0.82,f=-0.17) USER MOD Single : A 73 TYR OH : rot 28:sc= -0.0209 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 130:sc= -0.751 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.979 32.983 2.267 1.00 44.21 N ATOM 2 CA MET A 1 3.079 32.000 2.353 1.00 31.32 C ATOM 3 C MET A 1 2.755 30.785 1.495 1.00 63.33 C ATOM 4 O MET A 1 1.601 30.353 1.432 1.00 31.51 O ATOM 5 CB MET A 1 3.289 31.557 3.806 1.00 2.41 C ATOM 6 CG MET A 1 3.496 32.704 4.784 1.00 22.34 C ATOM 7 SD MET A 1 4.902 33.746 4.356 1.00 32.14 S ATOM 8 CE MET A 1 4.882 34.911 5.720 1.00 13.24 C ATOM 0 H1 MET A 1 2.281 33.880 2.697 1.00 44.21 H new ATOM 0 H2 MET A 1 1.733 33.143 1.269 1.00 44.21 H new ATOM 0 H3 MET A 1 1.147 32.619 2.774 1.00 44.21 H new ATOM 0 HA MET A 1 3.993 32.470 1.990 1.00 31.32 H new ATOM 0 HB2 MET A 1 2.425 30.974 4.125 1.00 2.41 H new ATOM 0 HB3 MET A 1 4.154 30.895 3.851 1.00 2.41 H new ATOM 0 HG2 MET A 1 2.594 33.315 4.816 1.00 22.34 H new ATOM 0 HG3 MET A 1 3.642 32.299 5.785 1.00 22.34 H new ATOM 0 HE1 MET A 1 5.696 35.626 5.600 1.00 13.24 H new ATOM 0 HE2 MET A 1 3.931 35.443 5.730 1.00 13.24 H new ATOM 0 HE3 MET A 1 5.007 34.373 6.660 1.00 13.24 H new ATOM 15 N ASN A 2 3.762 30.243 0.827 1.00 61.11 N ATOM 16 CA ASN A 2 3.578 29.046 0.022 1.00 23.13 C ATOM 17 C ASN A 2 3.756 27.807 0.889 1.00 62.54 C ATOM 18 O ASN A 2 4.871 27.312 1.067 1.00 63.12 O ATOM 19 CB ASN A 2 4.561 29.005 -1.157 1.00 72.42 C ATOM 20 CG ASN A 2 4.413 27.746 -2.000 1.00 72.03 C ATOM 21 OD1 ASN A 2 3.317 27.208 -2.158 1.00 35.42 O ATOM 22 ND2 ASN A 2 5.521 27.267 -2.544 1.00 34.11 N ATOM 0 H ASN A 2 4.713 30.612 0.826 1.00 61.11 H new ATOM 0 HA ASN A 2 2.567 29.066 -0.384 1.00 23.13 H new ATOM 0 HB2 ASN A 2 4.403 29.880 -1.787 1.00 72.42 H new ATOM 0 HB3 ASN A 2 5.581 29.065 -0.777 1.00 72.42 H new ATOM 0 HD21 ASN A 2 5.485 26.424 -3.117 1.00 34.11 H new ATOM 0 HD22 ASN A 2 6.411 27.741 -2.390 1.00 34.11 H new ATOM 28 N ASN A 3 2.661 27.332 1.458 1.00 22.32 N ATOM 29 CA ASN A 3 2.702 26.130 2.277 1.00 2.50 C ATOM 30 C ASN A 3 2.713 24.890 1.401 1.00 32.24 C ATOM 31 O ASN A 3 1.671 24.284 1.145 1.00 73.12 O ATOM 32 CB ASN A 3 1.525 26.069 3.251 1.00 33.33 C ATOM 33 CG ASN A 3 1.731 26.929 4.484 1.00 54.52 C ATOM 34 OD1 ASN A 3 2.861 27.154 4.923 1.00 20.12 O ATOM 35 ND2 ASN A 3 0.639 27.403 5.064 1.00 45.21 N ATOM 0 H ASN A 3 1.738 27.756 1.370 1.00 22.32 H new ATOM 0 HA ASN A 3 3.621 26.166 2.862 1.00 2.50 H new ATOM 0 HB2 ASN A 3 0.619 26.390 2.738 1.00 33.33 H new ATOM 0 HB3 ASN A 3 1.368 25.035 3.558 1.00 33.33 H new ATOM 0 HD21 ASN A 3 0.716 27.976 5.904 1.00 45.21 H new ATOM 0 HD22 ASN A 3 -0.279 27.195 4.671 1.00 45.21 H new ATOM 41 N GLN A 4 3.898 24.552 0.909 1.00 10.34 N ATOM 42 CA GLN A 4 4.095 23.332 0.150 1.00 54.54 C ATOM 43 C GLN A 4 3.959 22.143 1.086 1.00 23.32 C ATOM 44 O GLN A 4 4.798 21.934 1.965 1.00 64.14 O ATOM 45 CB GLN A 4 5.469 23.351 -0.525 1.00 32.21 C ATOM 46 CG GLN A 4 5.787 22.096 -1.315 1.00 44.43 C ATOM 47 CD GLN A 4 7.106 22.203 -2.051 1.00 25.25 C ATOM 48 OE1 GLN A 4 7.154 22.609 -3.212 1.00 41.54 O ATOM 49 NE2 GLN A 4 8.188 21.860 -1.373 1.00 3.33 N ATOM 0 H GLN A 4 4.741 25.114 1.026 1.00 10.34 H new ATOM 0 HA GLN A 4 3.341 23.252 -0.633 1.00 54.54 H new ATOM 0 HB2 GLN A 4 5.522 24.211 -1.192 1.00 32.21 H new ATOM 0 HB3 GLN A 4 6.235 23.491 0.238 1.00 32.21 H new ATOM 0 HG2 GLN A 4 5.818 21.241 -0.639 1.00 44.43 H new ATOM 0 HG3 GLN A 4 4.987 21.907 -2.031 1.00 44.43 H new ATOM 0 HE21 GLN A 4 8.104 21.528 -0.412 1.00 3.33 H new ATOM 0 HE22 GLN A 4 9.107 21.927 -1.811 1.00 3.33 H new ATOM 56 N VAL A 5 2.887 21.388 0.906 1.00 74.15 N ATOM 57 CA VAL A 5 2.523 20.339 1.839 1.00 3.53 C ATOM 58 C VAL A 5 3.515 19.192 1.840 1.00 41.50 C ATOM 59 O VAL A 5 4.268 18.977 0.885 1.00 13.44 O ATOM 60 CB VAL A 5 1.113 19.777 1.560 1.00 22.33 C ATOM 61 CG1 VAL A 5 0.057 20.832 1.824 1.00 70.32 C ATOM 62 CG2 VAL A 5 1.008 19.249 0.136 1.00 61.45 C ATOM 0 H VAL A 5 2.251 21.485 0.115 1.00 74.15 H new ATOM 0 HA VAL A 5 2.533 20.813 2.821 1.00 3.53 H new ATOM 0 HB VAL A 5 0.940 18.942 2.239 1.00 22.33 H new ATOM 0 HG11 VAL A 5 -0.930 20.417 1.622 1.00 70.32 H new ATOM 0 HG12 VAL A 5 0.111 21.148 2.866 1.00 70.32 H new ATOM 0 HG13 VAL A 5 0.230 21.690 1.175 1.00 70.32 H new ATOM 0 HG21 VAL A 5 0.005 18.859 -0.034 1.00 61.45 H new ATOM 0 HG22 VAL A 5 1.207 20.057 -0.567 1.00 61.45 H new ATOM 0 HG23 VAL A 5 1.737 18.452 -0.011 1.00 61.45 H new ATOM 72 N GLU A 6 3.494 18.473 2.937 1.00 60.32 N ATOM 73 CA GLU A 6 4.320 17.300 3.127 1.00 43.12 C ATOM 74 C GLU A 6 3.666 16.088 2.466 1.00 52.10 C ATOM 75 O GLU A 6 2.454 16.076 2.246 1.00 44.34 O ATOM 76 CB GLU A 6 4.513 17.064 4.625 1.00 45.24 C ATOM 77 CG GLU A 6 3.204 16.927 5.381 1.00 71.22 C ATOM 78 CD GLU A 6 3.383 17.040 6.876 1.00 73.42 C ATOM 79 OE1 GLU A 6 3.596 18.168 7.368 1.00 24.54 O ATOM 80 OE2 GLU A 6 3.293 16.012 7.576 1.00 52.14 O ATOM 0 H GLU A 6 2.895 18.687 3.735 1.00 60.32 H new ATOM 0 HA GLU A 6 5.294 17.453 2.663 1.00 43.12 H new ATOM 0 HB2 GLU A 6 5.106 16.161 4.771 1.00 45.24 H new ATOM 0 HB3 GLU A 6 5.084 17.892 5.046 1.00 45.24 H new ATOM 0 HG2 GLU A 6 2.511 17.697 5.042 1.00 71.22 H new ATOM 0 HG3 GLU A 6 2.751 15.964 5.145 1.00 71.22 H new ATOM 85 N PRO A 7 4.455 15.062 2.123 1.00 72.13 N ATOM 86 CA PRO A 7 3.949 13.885 1.438 1.00 22.13 C ATOM 87 C PRO A 7 3.415 12.824 2.396 1.00 63.43 C ATOM 88 O PRO A 7 3.513 12.961 3.617 1.00 70.23 O ATOM 89 CB PRO A 7 5.187 13.374 0.705 1.00 20.23 C ATOM 90 CG PRO A 7 6.337 13.758 1.580 1.00 21.43 C ATOM 91 CD PRO A 7 5.903 14.965 2.378 1.00 31.32 C ATOM 0 HA PRO A 7 3.103 14.115 0.791 1.00 22.13 H new ATOM 0 HB2 PRO A 7 5.143 12.294 0.561 1.00 20.23 H new ATOM 0 HB3 PRO A 7 5.275 13.824 -0.284 1.00 20.23 H new ATOM 0 HG2 PRO A 7 6.609 12.936 2.242 1.00 21.43 H new ATOM 0 HG3 PRO A 7 7.217 13.989 0.980 1.00 21.43 H new ATOM 0 HD2 PRO A 7 6.113 14.838 3.440 1.00 31.32 H new ATOM 0 HD3 PRO A 7 6.426 15.865 2.055 1.00 31.32 H new ATOM 96 N ARG A 8 2.835 11.778 1.827 1.00 62.52 N ATOM 97 CA ARG A 8 2.345 10.649 2.602 1.00 44.20 C ATOM 98 C ARG A 8 3.280 9.467 2.368 1.00 72.14 C ATOM 99 O ARG A 8 4.276 9.601 1.655 1.00 34.33 O ATOM 100 CB ARG A 8 0.915 10.253 2.188 1.00 52.30 C ATOM 101 CG ARG A 8 -0.067 11.409 2.028 1.00 71.25 C ATOM 102 CD ARG A 8 0.112 12.104 0.687 1.00 2.34 C ATOM 103 NE ARG A 8 -0.962 13.048 0.383 1.00 31.10 N ATOM 104 CZ ARG A 8 -0.941 13.869 -0.669 1.00 50.11 C ATOM 105 NH1 ARG A 8 0.101 13.871 -1.488 1.00 12.42 N ATOM 106 NH2 ARG A 8 -1.966 14.674 -0.910 1.00 50.44 N ATOM 0 H ARG A 8 2.691 11.688 0.821 1.00 62.52 H new ATOM 0 HA ARG A 8 2.321 10.931 3.655 1.00 44.20 H new ATOM 0 HB2 ARG A 8 0.966 9.710 1.244 1.00 52.30 H new ATOM 0 HB3 ARG A 8 0.518 9.563 2.932 1.00 52.30 H new ATOM 0 HG2 ARG A 8 -1.088 11.036 2.114 1.00 71.25 H new ATOM 0 HG3 ARG A 8 0.079 12.127 2.835 1.00 71.25 H new ATOM 0 HD2 ARG A 8 1.065 12.633 0.683 1.00 2.34 H new ATOM 0 HD3 ARG A 8 0.161 11.353 -0.101 1.00 2.34 H new ATOM 0 HE ARG A 8 -1.768 13.081 1.007 1.00 31.10 H new ATOM 0 HH11 ARG A 8 0.887 13.245 -1.314 1.00 12.42 H new ATOM 0 HH12 ARG A 8 0.117 14.499 -2.292 1.00 12.42 H new ATOM 0 HH21 ARG A 8 -2.776 14.668 -0.290 1.00 50.44 H new ATOM 0 HH22 ARG A 8 -1.945 15.300 -1.715 1.00 50.44 H new ATOM 117 N LYS A 9 2.962 8.320 2.943 1.00 61.31 N ATOM 118 CA LYS A 9 3.736 7.115 2.696 1.00 31.35 C ATOM 119 C LYS A 9 2.830 5.896 2.823 1.00 11.35 C ATOM 120 O LYS A 9 2.042 5.792 3.762 1.00 13.23 O ATOM 121 CB LYS A 9 4.917 7.026 3.673 1.00 31.44 C ATOM 122 CG LYS A 9 6.157 6.323 3.123 1.00 14.14 C ATOM 123 CD LYS A 9 5.935 4.833 2.903 1.00 64.43 C ATOM 124 CE LYS A 9 7.181 4.155 2.355 1.00 20.34 C ATOM 125 NZ LYS A 9 8.272 4.078 3.365 1.00 72.11 N ATOM 0 H LYS A 9 2.176 8.197 3.582 1.00 61.31 H new ATOM 0 HA LYS A 9 4.143 7.148 1.685 1.00 31.35 H new ATOM 0 HB2 LYS A 9 5.195 8.035 3.977 1.00 31.44 H new ATOM 0 HB3 LYS A 9 4.588 6.502 4.570 1.00 31.44 H new ATOM 0 HG2 LYS A 9 6.445 6.787 2.180 1.00 14.14 H new ATOM 0 HG3 LYS A 9 6.987 6.465 3.815 1.00 14.14 H new ATOM 0 HD2 LYS A 9 5.650 4.364 3.845 1.00 64.43 H new ATOM 0 HD3 LYS A 9 5.106 4.687 2.210 1.00 64.43 H new ATOM 0 HE2 LYS A 9 6.927 3.149 2.020 1.00 20.34 H new ATOM 0 HE3 LYS A 9 7.535 4.702 1.481 1.00 20.34 H new ATOM 0 HZ1 LYS A 9 9.156 4.435 2.949 1.00 72.11 H new ATOM 0 HZ2 LYS A 9 8.020 4.655 4.193 1.00 72.11 H new ATOM 0 HZ3 LYS A 9 8.403 3.089 3.660 1.00 72.11 H new ATOM 135 N LEU A 10 2.907 5.002 1.853 1.00 51.50 N ATOM 136 CA LEU A 10 2.140 3.769 1.889 1.00 3.34 C ATOM 137 C LEU A 10 3.050 2.566 1.674 1.00 25.43 C ATOM 138 O LEU A 10 3.967 2.597 0.846 1.00 63.22 O ATOM 139 CB LEU A 10 1.035 3.789 0.829 1.00 15.31 C ATOM 140 CG LEU A 10 -0.003 4.902 0.984 1.00 63.22 C ATOM 141 CD1 LEU A 10 -0.979 4.879 -0.182 1.00 34.44 C ATOM 142 CD2 LEU A 10 -0.749 4.764 2.307 1.00 3.52 C ATOM 0 H LEU A 10 3.496 5.108 1.027 1.00 51.50 H new ATOM 0 HA LEU A 10 1.677 3.686 2.872 1.00 3.34 H new ATOM 0 HB2 LEU A 10 1.499 3.882 -0.153 1.00 15.31 H new ATOM 0 HB3 LEU A 10 0.519 2.829 0.848 1.00 15.31 H new ATOM 0 HG LEU A 10 0.517 5.860 0.985 1.00 63.22 H new ATOM 0 HD11 LEU A 10 -1.712 5.676 -0.059 1.00 34.44 H new ATOM 0 HD12 LEU A 10 -0.435 5.027 -1.115 1.00 34.44 H new ATOM 0 HD13 LEU A 10 -1.491 3.917 -0.209 1.00 34.44 H new ATOM 0 HD21 LEU A 10 -1.482 5.566 2.397 1.00 3.52 H new ATOM 0 HD22 LEU A 10 -1.259 3.801 2.339 1.00 3.52 H new ATOM 0 HD23 LEU A 10 -0.040 4.827 3.133 1.00 3.52 H new ATOM 153 N VAL A 11 2.801 1.513 2.437 1.00 32.04 N ATOM 154 CA VAL A 11 3.560 0.276 2.319 1.00 30.03 C ATOM 155 C VAL A 11 2.656 -0.847 1.838 1.00 45.42 C ATOM 156 O VAL A 11 1.521 -0.962 2.279 1.00 42.23 O ATOM 157 CB VAL A 11 4.203 -0.140 3.664 1.00 1.04 C ATOM 158 CG1 VAL A 11 4.827 -1.526 3.557 1.00 41.30 C ATOM 159 CG2 VAL A 11 5.245 0.877 4.100 1.00 62.31 C ATOM 0 H VAL A 11 2.073 1.490 3.151 1.00 32.04 H new ATOM 0 HA VAL A 11 4.357 0.456 1.598 1.00 30.03 H new ATOM 0 HB VAL A 11 3.417 -0.173 4.418 1.00 1.04 H new ATOM 0 HG11 VAL A 11 5.273 -1.799 4.513 1.00 41.30 H new ATOM 0 HG12 VAL A 11 4.057 -2.252 3.295 1.00 41.30 H new ATOM 0 HG13 VAL A 11 5.597 -1.520 2.786 1.00 41.30 H new ATOM 0 HG21 VAL A 11 5.684 0.565 5.048 1.00 62.31 H new ATOM 0 HG22 VAL A 11 6.026 0.945 3.343 1.00 62.31 H new ATOM 0 HG23 VAL A 11 4.773 1.852 4.223 1.00 62.31 H new ATOM 169 N VAL A 12 3.153 -1.657 0.929 1.00 73.54 N ATOM 170 CA VAL A 12 2.412 -2.808 0.456 1.00 52.34 C ATOM 171 C VAL A 12 3.064 -4.094 0.953 1.00 72.24 C ATOM 172 O VAL A 12 4.196 -4.418 0.581 1.00 45.51 O ATOM 173 CB VAL A 12 2.319 -2.844 -1.082 1.00 10.24 C ATOM 174 CG1 VAL A 12 1.645 -4.123 -1.544 1.00 51.44 C ATOM 175 CG2 VAL A 12 1.568 -1.635 -1.604 1.00 34.32 C ATOM 0 H VAL A 12 4.071 -1.540 0.500 1.00 73.54 H new ATOM 0 HA VAL A 12 1.400 -2.725 0.854 1.00 52.34 H new ATOM 0 HB VAL A 12 3.332 -2.819 -1.484 1.00 10.24 H new ATOM 0 HG11 VAL A 12 1.588 -4.131 -2.632 1.00 51.44 H new ATOM 0 HG12 VAL A 12 2.223 -4.982 -1.204 1.00 51.44 H new ATOM 0 HG13 VAL A 12 0.639 -4.175 -1.127 1.00 51.44 H new ATOM 0 HG21 VAL A 12 1.515 -1.682 -2.692 1.00 34.32 H new ATOM 0 HG22 VAL A 12 0.559 -1.627 -1.191 1.00 34.32 H new ATOM 0 HG23 VAL A 12 2.089 -0.726 -1.305 1.00 34.32 H new ATOM 185 N TYR A 13 2.359 -4.810 1.819 1.00 73.44 N ATOM 186 CA TYR A 13 2.822 -6.110 2.274 1.00 24.11 C ATOM 187 C TYR A 13 2.342 -7.172 1.301 1.00 42.31 C ATOM 188 O TYR A 13 1.156 -7.230 0.966 1.00 53.23 O ATOM 189 CB TYR A 13 2.304 -6.439 3.677 1.00 15.41 C ATOM 190 CG TYR A 13 2.789 -5.518 4.768 1.00 11.24 C ATOM 191 CD1 TYR A 13 4.067 -5.652 5.294 1.00 54.24 C ATOM 192 CD2 TYR A 13 1.967 -4.525 5.281 1.00 73.52 C ATOM 193 CE1 TYR A 13 4.512 -4.824 6.307 1.00 55.22 C ATOM 194 CE2 TYR A 13 2.405 -3.692 6.292 1.00 34.40 C ATOM 195 CZ TYR A 13 3.678 -3.843 6.802 1.00 50.04 C ATOM 196 OH TYR A 13 4.114 -3.015 7.812 1.00 51.30 O ATOM 0 H TYR A 13 1.469 -4.513 2.218 1.00 73.44 H new ATOM 0 HA TYR A 13 3.911 -6.088 2.316 1.00 24.11 H new ATOM 0 HB2 TYR A 13 1.214 -6.416 3.660 1.00 15.41 H new ATOM 0 HB3 TYR A 13 2.597 -7.459 3.926 1.00 15.41 H new ATOM 0 HD1 TYR A 13 4.724 -6.416 4.905 1.00 54.24 H new ATOM 0 HD2 TYR A 13 0.970 -4.402 4.884 1.00 73.52 H new ATOM 0 HE1 TYR A 13 5.507 -4.944 6.709 1.00 55.22 H new ATOM 0 HE2 TYR A 13 1.753 -2.925 6.682 1.00 34.40 H new ATOM 0 HH TYR A 13 3.405 -2.380 8.043 1.00 51.30 H new ATOM 205 N GLY A 14 3.258 -7.995 0.834 1.00 64.23 N ATOM 206 CA GLY A 14 2.891 -9.040 -0.086 1.00 64.33 C ATOM 207 C GLY A 14 4.039 -9.972 -0.364 1.00 1.53 C ATOM 208 O GLY A 14 5.015 -10.005 0.382 1.00 63.51 O ATOM 0 H GLY A 14 4.248 -7.959 1.075 1.00 64.23 H new ATOM 0 HA2 GLY A 14 2.054 -9.607 0.323 1.00 64.33 H new ATOM 0 HA3 GLY A 14 2.549 -8.597 -1.021 1.00 64.33 H new ATOM 212 N ARG A 15 3.916 -10.735 -1.430 1.00 54.04 N ATOM 213 CA ARG A 15 4.984 -11.610 -1.864 1.00 42.30 C ATOM 214 C ARG A 15 4.911 -11.785 -3.375 1.00 60.55 C ATOM 215 O ARG A 15 3.831 -12.014 -3.932 1.00 61.23 O ATOM 216 CB ARG A 15 4.921 -12.958 -1.126 1.00 44.31 C ATOM 217 CG ARG A 15 3.651 -13.756 -1.370 1.00 21.12 C ATOM 218 CD ARG A 15 3.596 -14.995 -0.485 1.00 72.42 C ATOM 219 NE ARG A 15 4.830 -15.783 -0.560 1.00 73.05 N ATOM 220 CZ ARG A 15 5.024 -16.941 0.080 1.00 54.30 C ATOM 221 NH1 ARG A 15 4.058 -17.486 0.811 1.00 5.34 N ATOM 222 NH2 ARG A 15 6.194 -17.552 -0.020 1.00 22.30 N ATOM 0 H ARG A 15 3.081 -10.766 -2.015 1.00 54.04 H new ATOM 0 HA ARG A 15 5.946 -11.160 -1.617 1.00 42.30 H new ATOM 0 HB2 ARG A 15 5.777 -13.562 -1.427 1.00 44.31 H new ATOM 0 HB3 ARG A 15 5.020 -12.776 -0.056 1.00 44.31 H new ATOM 0 HG2 ARG A 15 2.782 -13.128 -1.175 1.00 21.12 H new ATOM 0 HG3 ARG A 15 3.601 -14.053 -2.418 1.00 21.12 H new ATOM 0 HD2 ARG A 15 3.421 -14.694 0.548 1.00 72.42 H new ATOM 0 HD3 ARG A 15 2.751 -15.616 -0.784 1.00 72.42 H new ATOM 0 HE ARG A 15 5.590 -15.425 -1.138 1.00 73.05 H new ATOM 0 HH11 ARG A 15 3.154 -17.021 0.890 1.00 5.34 H new ATOM 0 HH12 ARG A 15 4.221 -18.370 1.294 1.00 5.34 H new ATOM 0 HH21 ARG A 15 6.939 -17.139 -0.582 1.00 22.30 H new ATOM 0 HH22 ARG A 15 6.351 -18.436 0.465 1.00 22.30 H new ATOM 233 N GLU A 16 6.054 -11.633 -4.026 1.00 11.10 N ATOM 234 CA GLU A 16 6.133 -11.654 -5.478 1.00 5.32 C ATOM 235 C GLU A 16 5.695 -13.007 -6.031 1.00 32.44 C ATOM 236 O GLU A 16 6.288 -14.047 -5.734 1.00 71.03 O ATOM 237 CB GLU A 16 7.555 -11.308 -5.922 1.00 5.32 C ATOM 238 CG GLU A 16 8.014 -9.939 -5.433 1.00 23.32 C ATOM 239 CD GLU A 16 9.409 -9.578 -5.900 1.00 40.14 C ATOM 240 OE1 GLU A 16 9.567 -9.194 -7.078 1.00 1.10 O ATOM 241 OE2 GLU A 16 10.353 -9.657 -5.085 1.00 22.13 O ATOM 0 H GLU A 16 6.952 -11.492 -3.563 1.00 11.10 H new ATOM 0 HA GLU A 16 5.450 -10.905 -5.879 1.00 5.32 H new ATOM 0 HB2 GLU A 16 8.241 -12.069 -5.551 1.00 5.32 H new ATOM 0 HB3 GLU A 16 7.607 -11.335 -7.010 1.00 5.32 H new ATOM 0 HG2 GLU A 16 7.313 -9.181 -5.783 1.00 23.32 H new ATOM 0 HG3 GLU A 16 7.986 -9.921 -4.344 1.00 23.32 H new ATOM 246 N GLY A 17 4.638 -12.979 -6.829 1.00 2.42 N ATOM 247 CA GLY A 17 4.066 -14.195 -7.363 1.00 2.34 C ATOM 248 C GLY A 17 2.558 -14.097 -7.482 1.00 22.13 C ATOM 249 O GLY A 17 1.935 -14.848 -8.236 1.00 64.20 O ATOM 0 H GLY A 17 4.162 -12.124 -7.118 1.00 2.42 H new ATOM 0 HA2 GLY A 17 4.496 -14.400 -8.343 1.00 2.34 H new ATOM 0 HA3 GLY A 17 4.327 -15.034 -6.718 1.00 2.34 H new ATOM 253 N CYS A 18 1.972 -13.174 -6.729 1.00 73.33 N ATOM 254 CA CYS A 18 0.538 -12.930 -6.790 1.00 22.21 C ATOM 255 C CYS A 18 0.240 -11.760 -7.724 1.00 31.42 C ATOM 256 O CYS A 18 0.826 -10.684 -7.594 1.00 53.34 O ATOM 257 CB CYS A 18 -0.016 -12.667 -5.385 1.00 12.32 C ATOM 258 SG CYS A 18 0.877 -11.398 -4.452 1.00 74.24 S ATOM 0 H CYS A 18 2.471 -12.580 -6.067 1.00 73.33 H new ATOM 0 HA CYS A 18 0.045 -13.817 -7.189 1.00 22.21 H new ATOM 0 HB2 CYS A 18 -1.061 -12.370 -5.470 1.00 12.32 H new ATOM 0 HB3 CYS A 18 0.005 -13.599 -4.819 1.00 12.32 H new ATOM 0 HG CYS A 18 2.090 -11.804 -4.218 1.00 74.24 H new ATOM 263 N HIS A 19 -0.674 -11.975 -8.662 1.00 74.42 N ATOM 264 CA HIS A 19 -0.941 -10.998 -9.711 1.00 24.03 C ATOM 265 C HIS A 19 -1.618 -9.738 -9.169 1.00 41.14 C ATOM 266 O HIS A 19 -1.370 -8.640 -9.669 1.00 64.21 O ATOM 267 CB HIS A 19 -1.789 -11.630 -10.820 1.00 12.14 C ATOM 268 CG HIS A 19 -2.025 -10.720 -11.981 1.00 15.41 C ATOM 269 ND1 HIS A 19 -1.006 -10.105 -12.673 1.00 11.42 N ATOM 270 CD2 HIS A 19 -3.173 -10.314 -12.568 1.00 74.23 C ATOM 271 CE1 HIS A 19 -1.518 -9.361 -13.635 1.00 73.25 C ATOM 272 NE2 HIS A 19 -2.831 -9.470 -13.593 1.00 61.22 N ATOM 0 H HIS A 19 -1.244 -12.819 -8.718 1.00 74.42 H new ATOM 0 HA HIS A 19 0.020 -10.692 -10.125 1.00 24.03 H new ATOM 0 HB2 HIS A 19 -1.295 -12.536 -11.173 1.00 12.14 H new ATOM 0 HB3 HIS A 19 -2.750 -11.932 -10.404 1.00 12.14 H new ATOM 0 HD1 HIS A 19 -0.011 -10.208 -12.473 1.00 11.42 H new ATOM 0 HD2 HIS A 19 -4.174 -10.601 -12.282 1.00 74.23 H new ATOM 0 HE1 HIS A 19 -0.956 -8.764 -14.338 1.00 73.25 H new ATOM 279 N LEU A 20 -2.462 -9.890 -8.147 1.00 55.22 N ATOM 280 CA LEU A 20 -3.156 -8.741 -7.556 1.00 72.22 C ATOM 281 C LEU A 20 -2.166 -7.705 -7.036 1.00 75.32 C ATOM 282 O LEU A 20 -2.433 -6.504 -7.075 1.00 4.15 O ATOM 283 CB LEU A 20 -4.110 -9.178 -6.438 1.00 42.13 C ATOM 284 CG LEU A 20 -5.386 -9.880 -6.913 1.00 30.33 C ATOM 285 CD1 LEU A 20 -6.358 -10.063 -5.756 1.00 62.12 C ATOM 286 CD2 LEU A 20 -6.042 -9.091 -8.036 1.00 21.11 C ATOM 0 H LEU A 20 -2.681 -10.787 -7.714 1.00 55.22 H new ATOM 0 HA LEU A 20 -3.749 -8.280 -8.346 1.00 72.22 H new ATOM 0 HB2 LEU A 20 -3.574 -9.847 -5.765 1.00 42.13 H new ATOM 0 HB3 LEU A 20 -4.391 -8.300 -5.857 1.00 42.13 H new ATOM 0 HG LEU A 20 -5.114 -10.864 -7.294 1.00 30.33 H new ATOM 0 HD11 LEU A 20 -7.258 -10.563 -6.113 1.00 62.12 H new ATOM 0 HD12 LEU A 20 -5.890 -10.668 -4.980 1.00 62.12 H new ATOM 0 HD13 LEU A 20 -6.623 -9.089 -5.346 1.00 62.12 H new ATOM 0 HD21 LEU A 20 -6.947 -9.604 -8.361 1.00 21.11 H new ATOM 0 HD22 LEU A 20 -6.299 -8.094 -7.678 1.00 21.11 H new ATOM 0 HD23 LEU A 20 -5.351 -9.008 -8.875 1.00 21.11 H new ATOM 297 N CYS A 21 -1.009 -8.171 -6.574 1.00 63.42 N ATOM 298 CA CYS A 21 0.037 -7.278 -6.100 1.00 65.41 C ATOM 299 C CYS A 21 0.477 -6.337 -7.220 1.00 4.00 C ATOM 300 O CYS A 21 0.648 -5.138 -7.003 1.00 45.22 O ATOM 301 CB CYS A 21 1.230 -8.089 -5.584 1.00 13.01 C ATOM 302 SG CYS A 21 2.554 -7.086 -4.868 1.00 1.42 S ATOM 0 H CYS A 21 -0.775 -9.162 -6.519 1.00 63.42 H new ATOM 0 HA CYS A 21 -0.358 -6.679 -5.279 1.00 65.41 H new ATOM 0 HB2 CYS A 21 0.877 -8.795 -4.832 1.00 13.01 H new ATOM 0 HB3 CYS A 21 1.639 -8.677 -6.406 1.00 13.01 H new ATOM 0 HG CYS A 21 3.514 -7.862 -4.460 1.00 1.42 H new ATOM 307 N GLU A 22 0.622 -6.887 -8.425 1.00 63.41 N ATOM 308 CA GLU A 22 1.031 -6.106 -9.587 1.00 32.10 C ATOM 309 C GLU A 22 -0.009 -5.042 -9.903 1.00 14.43 C ATOM 310 O GLU A 22 0.324 -3.881 -10.148 1.00 45.51 O ATOM 311 CB GLU A 22 1.195 -7.015 -10.806 1.00 74.11 C ATOM 312 CG GLU A 22 2.224 -8.116 -10.628 1.00 24.23 C ATOM 313 CD GLU A 22 2.206 -9.100 -11.780 1.00 31.32 C ATOM 314 OE1 GLU A 22 2.903 -8.862 -12.787 1.00 42.13 O ATOM 315 OE2 GLU A 22 1.484 -10.115 -11.688 1.00 71.53 O ATOM 0 H GLU A 22 0.461 -7.875 -8.620 1.00 63.41 H new ATOM 0 HA GLU A 22 1.983 -5.628 -9.356 1.00 32.10 H new ATOM 0 HB2 GLU A 22 0.231 -7.468 -11.039 1.00 74.11 H new ATOM 0 HB3 GLU A 22 1.477 -6.405 -11.664 1.00 74.11 H new ATOM 0 HG2 GLU A 22 3.217 -7.674 -10.544 1.00 24.23 H new ATOM 0 HG3 GLU A 22 2.031 -8.646 -9.695 1.00 24.23 H new ATOM 320 N GLU A 23 -1.272 -5.455 -9.885 1.00 64.51 N ATOM 321 CA GLU A 23 -2.385 -4.579 -10.227 1.00 74.01 C ATOM 322 C GLU A 23 -2.472 -3.399 -9.265 1.00 0.31 C ATOM 323 O GLU A 23 -2.734 -2.265 -9.676 1.00 14.35 O ATOM 324 CB GLU A 23 -3.692 -5.373 -10.230 1.00 33.05 C ATOM 325 CG GLU A 23 -3.674 -6.522 -11.225 1.00 21.30 C ATOM 326 CD GLU A 23 -4.974 -7.298 -11.272 1.00 60.52 C ATOM 327 OE1 GLU A 23 -5.993 -6.736 -11.728 1.00 31.15 O ATOM 328 OE2 GLU A 23 -4.972 -8.484 -10.885 1.00 55.03 O ATOM 0 H GLU A 23 -1.551 -6.403 -9.634 1.00 64.51 H new ATOM 0 HA GLU A 23 -2.214 -4.178 -11.226 1.00 74.01 H new ATOM 0 HB2 GLU A 23 -3.877 -5.766 -9.230 1.00 33.05 H new ATOM 0 HB3 GLU A 23 -4.519 -4.704 -10.468 1.00 33.05 H new ATOM 0 HG2 GLU A 23 -3.458 -6.129 -12.218 1.00 21.30 H new ATOM 0 HG3 GLU A 23 -2.862 -7.203 -10.968 1.00 21.30 H new ATOM 333 N MET A 24 -2.241 -3.666 -7.988 1.00 44.22 N ATOM 334 CA MET A 24 -2.240 -2.613 -6.980 1.00 43.43 C ATOM 335 C MET A 24 -1.042 -1.685 -7.170 1.00 62.52 C ATOM 336 O MET A 24 -1.199 -0.465 -7.206 1.00 21.31 O ATOM 337 CB MET A 24 -2.232 -3.194 -5.564 1.00 32.32 C ATOM 338 CG MET A 24 -3.494 -3.968 -5.211 1.00 35.20 C ATOM 339 SD MET A 24 -3.551 -4.454 -3.474 1.00 53.54 S ATOM 340 CE MET A 24 -3.709 -2.856 -2.680 1.00 10.53 C ATOM 0 H MET A 24 -2.052 -4.600 -7.625 1.00 44.22 H new ATOM 0 HA MET A 24 -3.157 -2.038 -7.107 1.00 43.43 H new ATOM 0 HB2 MET A 24 -1.371 -3.853 -5.457 1.00 32.32 H new ATOM 0 HB3 MET A 24 -2.103 -2.382 -4.849 1.00 32.32 H new ATOM 0 HG2 MET A 24 -4.366 -3.357 -5.442 1.00 35.20 H new ATOM 0 HG3 MET A 24 -3.555 -4.859 -5.835 1.00 35.20 H new ATOM 0 HE1 MET A 24 -4.139 -2.984 -1.687 1.00 10.53 H new ATOM 0 HE2 MET A 24 -2.726 -2.394 -2.593 1.00 10.53 H new ATOM 0 HE3 MET A 24 -4.359 -2.216 -3.277 1.00 10.53 H new ATOM 348 N ILE A 25 0.150 -2.266 -7.311 1.00 55.33 N ATOM 349 CA ILE A 25 1.373 -1.480 -7.472 1.00 21.35 C ATOM 350 C ILE A 25 1.296 -0.573 -8.698 1.00 14.42 C ATOM 351 O ILE A 25 1.601 0.617 -8.613 1.00 70.01 O ATOM 352 CB ILE A 25 2.625 -2.381 -7.583 1.00 0.43 C ATOM 353 CG1 ILE A 25 2.860 -3.132 -6.270 1.00 51.31 C ATOM 354 CG2 ILE A 25 3.859 -1.560 -7.955 1.00 41.24 C ATOM 355 CD1 ILE A 25 4.032 -4.092 -6.314 1.00 25.14 C ATOM 0 H ILE A 25 0.294 -3.276 -7.317 1.00 55.33 H new ATOM 0 HA ILE A 25 1.463 -0.864 -6.577 1.00 21.35 H new ATOM 0 HB ILE A 25 2.450 -3.108 -8.376 1.00 0.43 H new ATOM 0 HG12 ILE A 25 3.026 -2.407 -5.473 1.00 51.31 H new ATOM 0 HG13 ILE A 25 1.958 -3.687 -6.013 1.00 51.31 H new ATOM 0 HG21 ILE A 25 4.725 -2.217 -8.027 1.00 41.24 H new ATOM 0 HG22 ILE A 25 3.695 -1.071 -8.915 1.00 41.24 H new ATOM 0 HG23 ILE A 25 4.038 -0.805 -7.189 1.00 41.24 H new ATOM 0 HD11 ILE A 25 4.134 -4.586 -5.348 1.00 25.14 H new ATOM 0 HD12 ILE A 25 3.860 -4.840 -7.088 1.00 25.14 H new ATOM 0 HD13 ILE A 25 4.945 -3.541 -6.538 1.00 25.14 H new ATOM 366 N ALA A 26 0.876 -1.130 -9.832 1.00 10.04 N ATOM 367 CA ALA A 26 0.764 -0.361 -11.069 1.00 53.23 C ATOM 368 C ALA A 26 -0.183 0.824 -10.895 1.00 51.03 C ATOM 369 O ALA A 26 0.050 1.910 -11.432 1.00 44.45 O ATOM 370 CB ALA A 26 0.294 -1.257 -12.200 1.00 1.14 C ATOM 0 H ALA A 26 0.608 -2.110 -9.920 1.00 10.04 H new ATOM 0 HA ALA A 26 1.750 0.033 -11.318 1.00 53.23 H new ATOM 0 HB1 ALA A 26 0.214 -0.674 -13.117 1.00 1.14 H new ATOM 0 HB2 ALA A 26 1.011 -2.065 -12.346 1.00 1.14 H new ATOM 0 HB3 ALA A 26 -0.681 -1.677 -11.951 1.00 1.14 H new ATOM 376 N SER A 27 -1.238 0.612 -10.124 1.00 42.02 N ATOM 377 CA SER A 27 -2.208 1.659 -9.850 1.00 24.53 C ATOM 378 C SER A 27 -1.598 2.739 -8.955 1.00 63.13 C ATOM 379 O SER A 27 -1.792 3.933 -9.187 1.00 33.03 O ATOM 380 CB SER A 27 -3.449 1.051 -9.193 1.00 63.42 C ATOM 381 OG SER A 27 -4.060 0.088 -10.044 1.00 3.50 O ATOM 0 H SER A 27 -1.444 -0.280 -9.675 1.00 42.02 H new ATOM 0 HA SER A 27 -2.499 2.128 -10.790 1.00 24.53 H new ATOM 0 HB2 SER A 27 -3.172 0.582 -8.249 1.00 63.42 H new ATOM 0 HB3 SER A 27 -4.164 1.840 -8.959 1.00 63.42 H new ATOM 0 HG SER A 27 -3.577 -0.762 -9.976 1.00 3.50 H new ATOM 386 N LEU A 28 -0.834 2.312 -7.953 1.00 74.44 N ATOM 387 CA LEU A 28 -0.206 3.239 -7.019 1.00 55.42 C ATOM 388 C LEU A 28 0.852 4.089 -7.719 1.00 21.35 C ATOM 389 O LEU A 28 1.043 5.255 -7.386 1.00 12.44 O ATOM 390 CB LEU A 28 0.426 2.474 -5.855 1.00 53.14 C ATOM 391 CG LEU A 28 -0.543 1.623 -5.035 1.00 64.40 C ATOM 392 CD1 LEU A 28 0.192 0.904 -3.918 1.00 43.12 C ATOM 393 CD2 LEU A 28 -1.671 2.476 -4.470 1.00 13.03 C ATOM 0 H LEU A 28 -0.635 1.329 -7.768 1.00 74.44 H new ATOM 0 HA LEU A 28 -0.979 3.902 -6.632 1.00 55.42 H new ATOM 0 HB2 LEU A 28 1.209 1.827 -6.249 1.00 53.14 H new ATOM 0 HB3 LEU A 28 0.909 3.190 -5.190 1.00 53.14 H new ATOM 0 HG LEU A 28 -0.981 0.876 -5.697 1.00 64.40 H new ATOM 0 HD11 LEU A 28 -0.515 0.303 -3.345 1.00 43.12 H new ATOM 0 HD12 LEU A 28 0.957 0.256 -4.344 1.00 43.12 H new ATOM 0 HD13 LEU A 28 0.662 1.636 -3.261 1.00 43.12 H new ATOM 0 HD21 LEU A 28 -2.347 1.848 -3.890 1.00 13.03 H new ATOM 0 HD22 LEU A 28 -1.254 3.250 -3.826 1.00 13.03 H new ATOM 0 HD23 LEU A 28 -2.220 2.941 -5.288 1.00 13.03 H new ATOM 404 N ARG A 29 1.532 3.493 -8.692 1.00 15.12 N ATOM 405 CA ARG A 29 2.556 4.196 -9.461 1.00 12.31 C ATOM 406 C ARG A 29 1.963 5.383 -10.216 1.00 50.34 C ATOM 407 O ARG A 29 2.555 6.460 -10.261 1.00 24.24 O ATOM 408 CB ARG A 29 3.227 3.232 -10.442 1.00 33.32 C ATOM 409 CG ARG A 29 4.131 2.211 -9.771 1.00 41.22 C ATOM 410 CD ARG A 29 5.438 2.845 -9.325 1.00 44.13 C ATOM 411 NE ARG A 29 6.237 3.283 -10.468 1.00 71.34 N ATOM 412 CZ ARG A 29 6.903 4.436 -10.527 1.00 20.11 C ATOM 413 NH1 ARG A 29 6.867 5.287 -9.507 1.00 11.31 N ATOM 414 NH2 ARG A 29 7.606 4.729 -11.614 1.00 61.22 N ATOM 0 H ARG A 29 1.393 2.521 -8.969 1.00 15.12 H new ATOM 0 HA ARG A 29 3.301 4.578 -8.763 1.00 12.31 H new ATOM 0 HB2 ARG A 29 2.456 2.707 -11.007 1.00 33.32 H new ATOM 0 HB3 ARG A 29 3.812 3.807 -11.160 1.00 33.32 H new ATOM 0 HG2 ARG A 29 3.621 1.779 -8.910 1.00 41.22 H new ATOM 0 HG3 ARG A 29 4.337 1.394 -10.462 1.00 41.22 H new ATOM 0 HD2 ARG A 29 5.229 3.697 -8.678 1.00 44.13 H new ATOM 0 HD3 ARG A 29 6.008 2.129 -8.734 1.00 44.13 H new ATOM 0 HE ARG A 29 6.288 2.663 -11.277 1.00 71.34 H new ATOM 0 HH11 ARG A 29 6.327 5.060 -8.672 1.00 11.31 H new ATOM 0 HH12 ARG A 29 7.379 6.168 -9.559 1.00 11.31 H new ATOM 0 HH21 ARG A 29 7.633 4.074 -12.395 1.00 61.22 H new ATOM 0 HH22 ARG A 29 8.119 5.609 -11.668 1.00 61.22 H new ATOM 425 N VAL A 30 0.791 5.186 -10.800 1.00 43.04 N ATOM 426 CA VAL A 30 0.112 6.260 -11.512 1.00 75.14 C ATOM 427 C VAL A 30 -0.497 7.257 -10.527 1.00 61.04 C ATOM 428 O VAL A 30 -0.479 8.468 -10.760 1.00 62.01 O ATOM 429 CB VAL A 30 -0.981 5.711 -12.453 1.00 25.41 C ATOM 430 CG1 VAL A 30 -1.729 6.841 -13.145 1.00 31.21 C ATOM 431 CG2 VAL A 30 -0.365 4.773 -13.478 1.00 72.22 C ATOM 0 H VAL A 30 0.291 4.297 -10.796 1.00 43.04 H new ATOM 0 HA VAL A 30 0.857 6.772 -12.121 1.00 75.14 H new ATOM 0 HB VAL A 30 -1.700 5.154 -11.852 1.00 25.41 H new ATOM 0 HG11 VAL A 30 -2.493 6.424 -13.801 1.00 31.21 H new ATOM 0 HG12 VAL A 30 -2.202 7.476 -12.396 1.00 31.21 H new ATOM 0 HG13 VAL A 30 -1.029 7.434 -13.734 1.00 31.21 H new ATOM 0 HG21 VAL A 30 -1.145 4.391 -14.137 1.00 72.22 H new ATOM 0 HG22 VAL A 30 0.375 5.314 -14.067 1.00 72.22 H new ATOM 0 HG23 VAL A 30 0.117 3.940 -12.966 1.00 72.22 H new ATOM 441 N LEU A 31 -1.018 6.742 -9.419 1.00 60.52 N ATOM 442 CA LEU A 31 -1.603 7.586 -8.382 1.00 32.24 C ATOM 443 C LEU A 31 -0.544 8.484 -7.750 1.00 71.20 C ATOM 444 O LEU A 31 -0.838 9.608 -7.344 1.00 45.43 O ATOM 445 CB LEU A 31 -2.273 6.730 -7.309 1.00 31.34 C ATOM 446 CG LEU A 31 -3.789 6.896 -7.197 1.00 54.42 C ATOM 447 CD1 LEU A 31 -4.327 6.067 -6.046 1.00 3.25 C ATOM 448 CD2 LEU A 31 -4.156 8.363 -7.013 1.00 11.02 C ATOM 0 H LEU A 31 -1.048 5.743 -9.215 1.00 60.52 H new ATOM 0 HA LEU A 31 -2.358 8.219 -8.849 1.00 32.24 H new ATOM 0 HB2 LEU A 31 -2.052 5.682 -7.513 1.00 31.34 H new ATOM 0 HB3 LEU A 31 -1.825 6.969 -6.344 1.00 31.34 H new ATOM 0 HG LEU A 31 -4.243 6.542 -8.123 1.00 54.42 H new ATOM 0 HD11 LEU A 31 -5.407 6.195 -5.979 1.00 3.25 H new ATOM 0 HD12 LEU A 31 -4.096 5.015 -6.216 1.00 3.25 H new ATOM 0 HD13 LEU A 31 -3.864 6.394 -5.115 1.00 3.25 H new ATOM 0 HD21 LEU A 31 -5.239 8.460 -6.935 1.00 11.02 H new ATOM 0 HD22 LEU A 31 -3.691 8.743 -6.103 1.00 11.02 H new ATOM 0 HD23 LEU A 31 -3.801 8.937 -7.869 1.00 11.02 H new ATOM 459 N GLN A 32 0.690 7.982 -7.687 1.00 71.31 N ATOM 460 CA GLN A 32 1.828 8.744 -7.171 1.00 64.41 C ATOM 461 C GLN A 32 1.959 10.098 -7.860 1.00 53.02 C ATOM 462 O GLN A 32 2.353 11.085 -7.242 1.00 70.14 O ATOM 463 CB GLN A 32 3.125 7.959 -7.373 1.00 4.40 C ATOM 464 CG GLN A 32 3.504 7.071 -6.205 1.00 44.34 C ATOM 465 CD GLN A 32 4.823 6.358 -6.434 1.00 25.11 C ATOM 466 OE1 GLN A 32 5.700 6.854 -7.143 1.00 41.12 O ATOM 467 NE2 GLN A 32 4.980 5.196 -5.825 1.00 11.12 N ATOM 0 H GLN A 32 0.928 7.038 -7.991 1.00 71.31 H new ATOM 0 HA GLN A 32 1.651 8.910 -6.108 1.00 64.41 H new ATOM 0 HB2 GLN A 32 3.028 7.342 -8.267 1.00 4.40 H new ATOM 0 HB3 GLN A 32 3.937 8.662 -7.558 1.00 4.40 H new ATOM 0 HG2 GLN A 32 3.571 7.673 -5.299 1.00 44.34 H new ATOM 0 HG3 GLN A 32 2.718 6.334 -6.041 1.00 44.34 H new ATOM 0 HE21 GLN A 32 4.230 4.818 -5.246 1.00 11.12 H new ATOM 0 HE22 GLN A 32 5.851 4.677 -5.934 1.00 11.12 H new ATOM 474 N LYS A 33 1.619 10.132 -9.141 1.00 13.23 N ATOM 475 CA LYS A 33 1.769 11.336 -9.946 1.00 22.23 C ATOM 476 C LYS A 33 0.708 12.376 -9.594 1.00 22.32 C ATOM 477 O LYS A 33 0.901 13.575 -9.799 1.00 64.45 O ATOM 478 CB LYS A 33 1.694 10.977 -11.422 1.00 1.32 C ATOM 479 CG LYS A 33 2.682 9.894 -11.818 1.00 72.52 C ATOM 480 CD LYS A 33 2.805 9.794 -13.321 1.00 52.24 C ATOM 481 CE LYS A 33 1.487 9.405 -13.973 1.00 0.45 C ATOM 482 NZ LYS A 33 1.545 9.535 -15.452 1.00 51.13 N ATOM 0 H LYS A 33 1.235 9.334 -9.647 1.00 13.23 H new ATOM 0 HA LYS A 33 2.743 11.775 -9.731 1.00 22.23 H new ATOM 0 HB2 LYS A 33 0.683 10.644 -11.659 1.00 1.32 H new ATOM 0 HB3 LYS A 33 1.883 11.870 -12.018 1.00 1.32 H new ATOM 0 HG2 LYS A 33 3.658 10.111 -11.384 1.00 72.52 H new ATOM 0 HG3 LYS A 33 2.358 8.936 -11.412 1.00 72.52 H new ATOM 0 HD2 LYS A 33 3.140 10.750 -13.722 1.00 52.24 H new ATOM 0 HD3 LYS A 33 3.567 9.057 -13.575 1.00 52.24 H new ATOM 0 HE2 LYS A 33 1.239 8.377 -13.708 1.00 0.45 H new ATOM 0 HE3 LYS A 33 0.688 10.036 -13.583 1.00 0.45 H new ATOM 0 HZ1 LYS A 33 0.629 9.261 -15.861 1.00 51.13 H new ATOM 0 HZ2 LYS A 33 1.757 10.521 -15.706 1.00 51.13 H new ATOM 0 HZ3 LYS A 33 2.290 8.914 -15.826 1.00 51.13 H new ATOM 492 N LYS A 34 -0.406 11.908 -9.051 1.00 13.21 N ATOM 493 CA LYS A 34 -1.513 12.784 -8.689 1.00 73.02 C ATOM 494 C LYS A 34 -1.393 13.197 -7.228 1.00 12.11 C ATOM 495 O LYS A 34 -1.594 14.362 -6.870 1.00 62.31 O ATOM 496 CB LYS A 34 -2.841 12.060 -8.920 1.00 62.40 C ATOM 497 CG LYS A 34 -2.955 11.429 -10.301 1.00 64.12 C ATOM 498 CD LYS A 34 -4.277 10.694 -10.485 1.00 40.34 C ATOM 499 CE LYS A 34 -4.333 9.993 -11.833 1.00 15.21 C ATOM 500 NZ LYS A 34 -5.638 9.321 -12.065 1.00 73.23 N ATOM 0 H LYS A 34 -0.569 10.921 -8.850 1.00 13.21 H new ATOM 0 HA LYS A 34 -1.480 13.678 -9.312 1.00 73.02 H new ATOM 0 HB2 LYS A 34 -2.959 11.284 -8.164 1.00 62.40 H new ATOM 0 HB3 LYS A 34 -3.660 12.766 -8.783 1.00 62.40 H new ATOM 0 HG2 LYS A 34 -2.862 12.203 -11.062 1.00 64.12 H new ATOM 0 HG3 LYS A 34 -2.129 10.733 -10.451 1.00 64.12 H new ATOM 0 HD2 LYS A 34 -4.404 9.963 -9.686 1.00 40.34 H new ATOM 0 HD3 LYS A 34 -5.103 11.400 -10.405 1.00 40.34 H new ATOM 0 HE2 LYS A 34 -4.155 10.720 -12.626 1.00 15.21 H new ATOM 0 HE3 LYS A 34 -3.532 9.256 -11.890 1.00 15.21 H new ATOM 0 HZ1 LYS A 34 -5.629 8.857 -12.996 1.00 73.23 H new ATOM 0 HZ2 LYS A 34 -5.798 8.608 -11.325 1.00 73.23 H new ATOM 0 HZ3 LYS A 34 -6.402 10.027 -12.037 1.00 73.23 H new ATOM 510 N SER A 35 -1.050 12.224 -6.400 1.00 53.43 N ATOM 511 CA SER A 35 -0.885 12.428 -4.975 1.00 73.43 C ATOM 512 C SER A 35 0.272 11.566 -4.475 1.00 40.42 C ATOM 513 O SER A 35 0.136 10.353 -4.357 1.00 41.13 O ATOM 514 CB SER A 35 -2.187 12.061 -4.246 1.00 13.21 C ATOM 515 OG SER A 35 -3.258 12.906 -4.648 1.00 21.44 O ATOM 0 H SER A 35 -0.878 11.265 -6.702 1.00 53.43 H new ATOM 0 HA SER A 35 -0.659 13.475 -4.774 1.00 73.43 H new ATOM 0 HB2 SER A 35 -2.443 11.022 -4.454 1.00 13.21 H new ATOM 0 HB3 SER A 35 -2.040 12.144 -3.169 1.00 13.21 H new ATOM 0 HG SER A 35 -3.696 13.279 -3.855 1.00 21.44 H new ATOM 520 N TRP A 36 1.420 12.185 -4.219 1.00 1.22 N ATOM 521 CA TRP A 36 2.617 11.434 -3.845 1.00 54.50 C ATOM 522 C TRP A 36 2.483 10.813 -2.457 1.00 51.04 C ATOM 523 O TRP A 36 2.138 11.496 -1.487 1.00 51.53 O ATOM 524 CB TRP A 36 3.858 12.330 -3.887 1.00 71.44 C ATOM 525 CG TRP A 36 5.132 11.569 -3.684 1.00 3.42 C ATOM 526 CD1 TRP A 36 5.781 11.337 -2.501 1.00 21.20 C ATOM 527 CD2 TRP A 36 5.908 10.923 -4.699 1.00 71.13 C ATOM 528 NE1 TRP A 36 6.911 10.592 -2.725 1.00 42.23 N ATOM 529 CE2 TRP A 36 7.013 10.332 -4.061 1.00 53.43 C ATOM 530 CE3 TRP A 36 5.783 10.796 -6.084 1.00 23.22 C ATOM 531 CZ2 TRP A 36 7.978 9.615 -4.757 1.00 34.20 C ATOM 532 CZ3 TRP A 36 6.744 10.083 -6.775 1.00 42.25 C ATOM 533 CH2 TRP A 36 7.831 9.505 -6.111 1.00 30.24 C ATOM 0 H TRP A 36 1.548 13.196 -4.263 1.00 1.22 H new ATOM 0 HA TRP A 36 2.729 10.630 -4.572 1.00 54.50 H new ATOM 0 HB2 TRP A 36 3.897 12.844 -4.847 1.00 71.44 H new ATOM 0 HB3 TRP A 36 3.772 13.097 -3.118 1.00 71.44 H new ATOM 0 HD1 TRP A 36 5.452 11.689 -1.534 1.00 21.20 H new ATOM 0 HE1 TRP A 36 7.568 10.283 -2.009 1.00 42.23 H new ATOM 0 HE3 TRP A 36 4.951 11.246 -6.605 1.00 23.22 H new ATOM 0 HZ2 TRP A 36 8.814 9.161 -4.246 1.00 34.20 H new ATOM 0 HZ3 TRP A 36 6.654 9.970 -7.845 1.00 42.25 H new ATOM 0 HH2 TRP A 36 8.570 8.960 -6.680 1.00 30.24 H new ATOM 543 N PHE A 37 2.775 9.518 -2.372 1.00 0.21 N ATOM 544 CA PHE A 37 2.714 8.786 -1.108 1.00 54.50 C ATOM 545 C PHE A 37 3.840 7.772 -0.994 1.00 33.21 C ATOM 546 O PHE A 37 3.770 6.857 -0.171 1.00 75.14 O ATOM 547 CB PHE A 37 1.365 8.072 -0.969 1.00 33.51 C ATOM 548 CG PHE A 37 0.990 7.222 -2.159 1.00 54.42 C ATOM 549 CD1 PHE A 37 1.466 5.925 -2.305 1.00 10.45 C ATOM 550 CD2 PHE A 37 0.152 7.726 -3.133 1.00 73.13 C ATOM 551 CE1 PHE A 37 1.107 5.161 -3.397 1.00 1.45 C ATOM 552 CE2 PHE A 37 -0.208 6.967 -4.224 1.00 72.23 C ATOM 553 CZ PHE A 37 0.270 5.686 -4.358 1.00 25.51 C ATOM 0 H PHE A 37 3.059 8.949 -3.170 1.00 0.21 H new ATOM 0 HA PHE A 37 2.826 9.513 -0.304 1.00 54.50 H new ATOM 0 HB2 PHE A 37 1.390 7.442 -0.080 1.00 33.51 H new ATOM 0 HB3 PHE A 37 0.586 8.818 -0.809 1.00 33.51 H new ATOM 0 HD1 PHE A 37 2.124 5.510 -1.556 1.00 10.45 H new ATOM 0 HD2 PHE A 37 -0.228 8.733 -3.038 1.00 73.13 H new ATOM 0 HE1 PHE A 37 1.481 4.153 -3.498 1.00 1.45 H new ATOM 0 HE2 PHE A 37 -0.866 7.379 -4.975 1.00 72.23 H new ATOM 0 HZ PHE A 37 -0.010 5.091 -5.215 1.00 25.51 H new ATOM 562 N GLU A 38 4.880 7.939 -1.806 1.00 75.10 N ATOM 563 CA GLU A 38 5.993 6.992 -1.826 1.00 42.22 C ATOM 564 C GLU A 38 5.497 5.596 -2.190 1.00 0.24 C ATOM 565 O GLU A 38 4.321 5.399 -2.487 1.00 74.41 O ATOM 566 CB GLU A 38 6.682 6.957 -0.457 1.00 50.31 C ATOM 567 CG GLU A 38 7.423 8.229 -0.110 1.00 25.41 C ATOM 568 CD GLU A 38 8.765 8.344 -0.793 1.00 14.21 C ATOM 569 OE1 GLU A 38 9.599 7.422 -0.648 1.00 2.52 O ATOM 570 OE2 GLU A 38 9.004 9.371 -1.459 1.00 31.15 O ATOM 0 H GLU A 38 4.976 8.718 -2.457 1.00 75.10 H new ATOM 0 HA GLU A 38 6.711 7.319 -2.579 1.00 42.22 H new ATOM 0 HB2 GLU A 38 5.933 6.764 0.311 1.00 50.31 H new ATOM 0 HB3 GLU A 38 7.383 6.123 -0.435 1.00 50.31 H new ATOM 0 HG2 GLU A 38 6.808 9.086 -0.385 1.00 25.41 H new ATOM 0 HG3 GLU A 38 7.567 8.274 0.969 1.00 25.41 H new ATOM 575 N LEU A 39 6.395 4.638 -2.229 1.00 64.33 N ATOM 576 CA LEU A 39 5.977 3.252 -2.357 1.00 24.03 C ATOM 577 C LEU A 39 7.006 2.320 -1.745 1.00 11.43 C ATOM 578 O LEU A 39 8.203 2.451 -1.998 1.00 43.41 O ATOM 579 CB LEU A 39 5.705 2.889 -3.815 1.00 32.01 C ATOM 580 CG LEU A 39 4.862 1.625 -4.025 1.00 72.33 C ATOM 581 CD1 LEU A 39 3.707 1.584 -3.032 1.00 4.24 C ATOM 582 CD2 LEU A 39 4.317 1.586 -5.443 1.00 4.32 C ATOM 0 H LEU A 39 7.403 4.784 -2.175 1.00 64.33 H new ATOM 0 HA LEU A 39 5.043 3.131 -1.808 1.00 24.03 H new ATOM 0 HB2 LEU A 39 5.199 3.728 -4.294 1.00 32.01 H new ATOM 0 HB3 LEU A 39 6.660 2.759 -4.325 1.00 32.01 H new ATOM 0 HG LEU A 39 5.500 0.757 -3.862 1.00 72.33 H new ATOM 0 HD11 LEU A 39 3.119 0.681 -3.195 1.00 4.24 H new ATOM 0 HD12 LEU A 39 4.101 1.582 -2.016 1.00 4.24 H new ATOM 0 HD13 LEU A 39 3.074 2.460 -3.174 1.00 4.24 H new ATOM 0 HD21 LEU A 39 3.721 0.684 -5.579 1.00 4.32 H new ATOM 0 HD22 LEU A 39 3.694 2.463 -5.617 1.00 4.32 H new ATOM 0 HD23 LEU A 39 5.146 1.583 -6.151 1.00 4.32 H new ATOM 593 N GLU A 40 6.541 1.389 -0.934 1.00 24.12 N ATOM 594 CA GLU A 40 7.417 0.417 -0.317 1.00 34.41 C ATOM 595 C GLU A 40 6.777 -0.960 -0.385 1.00 23.54 C ATOM 596 O GLU A 40 5.695 -1.179 0.156 1.00 40.22 O ATOM 597 CB GLU A 40 7.691 0.819 1.130 1.00 12.20 C ATOM 598 CG GLU A 40 8.879 0.121 1.759 1.00 32.42 C ATOM 599 CD GLU A 40 9.560 1.004 2.782 1.00 35.44 C ATOM 600 OE1 GLU A 40 8.904 1.394 3.769 1.00 5.42 O ATOM 601 OE2 GLU A 40 10.740 1.361 2.569 1.00 72.31 O ATOM 0 H GLU A 40 5.556 1.287 -0.688 1.00 24.12 H new ATOM 0 HA GLU A 40 8.367 0.384 -0.851 1.00 34.41 H new ATOM 0 HB2 GLU A 40 7.855 1.896 1.170 1.00 12.20 H new ATOM 0 HB3 GLU A 40 6.804 0.609 1.727 1.00 12.20 H new ATOM 0 HG2 GLU A 40 8.550 -0.803 2.235 1.00 32.42 H new ATOM 0 HG3 GLU A 40 9.593 -0.157 0.983 1.00 32.42 H new ATOM 606 N VAL A 41 7.440 -1.875 -1.072 1.00 34.15 N ATOM 607 CA VAL A 41 6.940 -3.231 -1.220 1.00 52.42 C ATOM 608 C VAL A 41 7.768 -4.172 -0.368 1.00 44.41 C ATOM 609 O VAL A 41 8.967 -4.334 -0.594 1.00 71.02 O ATOM 610 CB VAL A 41 6.974 -3.698 -2.690 1.00 10.35 C ATOM 611 CG1 VAL A 41 6.369 -5.090 -2.829 1.00 15.01 C ATOM 612 CG2 VAL A 41 6.248 -2.705 -3.587 1.00 22.03 C ATOM 0 H VAL A 41 8.331 -1.702 -1.538 1.00 34.15 H new ATOM 0 HA VAL A 41 5.901 -3.242 -0.891 1.00 52.42 H new ATOM 0 HB VAL A 41 8.016 -3.746 -3.007 1.00 10.35 H new ATOM 0 HG11 VAL A 41 6.403 -5.399 -3.874 1.00 15.01 H new ATOM 0 HG12 VAL A 41 6.937 -5.796 -2.223 1.00 15.01 H new ATOM 0 HG13 VAL A 41 5.333 -5.072 -2.490 1.00 15.01 H new ATOM 0 HG21 VAL A 41 6.284 -3.053 -4.619 1.00 22.03 H new ATOM 0 HG22 VAL A 41 5.209 -2.619 -3.269 1.00 22.03 H new ATOM 0 HG23 VAL A 41 6.731 -1.730 -3.516 1.00 22.03 H new ATOM 622 N ILE A 42 7.134 -4.775 0.619 1.00 35.21 N ATOM 623 CA ILE A 42 7.840 -5.631 1.556 1.00 44.50 C ATOM 624 C ILE A 42 7.352 -7.069 1.447 1.00 74.44 C ATOM 625 O ILE A 42 6.169 -7.354 1.644 1.00 72.33 O ATOM 626 CB ILE A 42 7.680 -5.113 3.000 1.00 13.34 C ATOM 627 CG1 ILE A 42 8.192 -3.670 3.073 1.00 63.11 C ATOM 628 CG2 ILE A 42 8.437 -6.008 3.978 1.00 41.42 C ATOM 629 CD1 ILE A 42 8.039 -3.026 4.430 1.00 42.41 C ATOM 0 H ILE A 42 6.133 -4.689 0.794 1.00 35.21 H new ATOM 0 HA ILE A 42 8.899 -5.609 1.301 1.00 44.50 H new ATOM 0 HB ILE A 42 6.627 -5.135 3.280 1.00 13.34 H new ATOM 0 HG12 ILE A 42 9.245 -3.656 2.793 1.00 63.11 H new ATOM 0 HG13 ILE A 42 7.658 -3.069 2.336 1.00 63.11 H new ATOM 0 HG21 ILE A 42 8.312 -5.627 4.991 1.00 41.42 H new ATOM 0 HG22 ILE A 42 8.044 -7.023 3.921 1.00 41.42 H new ATOM 0 HG23 ILE A 42 9.496 -6.014 3.720 1.00 41.42 H new ATOM 0 HD11 ILE A 42 8.425 -2.007 4.395 1.00 42.41 H new ATOM 0 HD12 ILE A 42 6.985 -3.005 4.706 1.00 42.41 H new ATOM 0 HD13 ILE A 42 8.596 -3.600 5.170 1.00 42.41 H new ATOM 640 N ASN A 43 8.268 -7.967 1.111 1.00 42.42 N ATOM 641 CA ASN A 43 7.935 -9.376 0.956 1.00 73.41 C ATOM 642 C ASN A 43 7.815 -10.069 2.304 1.00 11.04 C ATOM 643 O ASN A 43 8.784 -10.167 3.058 1.00 44.05 O ATOM 644 CB ASN A 43 8.975 -10.104 0.099 1.00 73.40 C ATOM 645 CG ASN A 43 8.637 -10.087 -1.380 1.00 34.14 C ATOM 646 OD1 ASN A 43 7.933 -10.968 -1.869 1.00 74.43 O ATOM 647 ND2 ASN A 43 9.150 -9.112 -2.111 1.00 74.41 N ATOM 0 H ASN A 43 9.249 -7.744 0.940 1.00 42.42 H new ATOM 0 HA ASN A 43 6.970 -9.419 0.451 1.00 73.41 H new ATOM 0 HB2 ASN A 43 9.950 -9.641 0.249 1.00 73.40 H new ATOM 0 HB3 ASN A 43 9.057 -11.137 0.436 1.00 73.40 H new ATOM 0 HD21 ASN A 43 8.966 -9.075 -3.114 1.00 74.41 H new ATOM 0 HD22 ASN A 43 9.730 -8.397 -1.672 1.00 74.41 H new ATOM 653 N ILE A 44 6.621 -10.563 2.593 1.00 71.44 N ATOM 654 CA ILE A 44 6.390 -11.347 3.800 1.00 32.12 C ATOM 655 C ILE A 44 6.845 -12.781 3.565 1.00 24.41 C ATOM 656 O ILE A 44 6.886 -13.594 4.485 1.00 64.23 O ATOM 657 CB ILE A 44 4.900 -11.351 4.211 1.00 21.12 C ATOM 658 CG1 ILE A 44 4.070 -12.181 3.226 1.00 73.33 C ATOM 659 CG2 ILE A 44 4.368 -9.924 4.285 1.00 63.54 C ATOM 660 CD1 ILE A 44 2.665 -12.464 3.711 1.00 45.44 C ATOM 0 H ILE A 44 5.795 -10.436 2.008 1.00 71.44 H new ATOM 0 HA ILE A 44 6.961 -10.889 4.607 1.00 32.12 H new ATOM 0 HB ILE A 44 4.816 -11.806 5.198 1.00 21.12 H new ATOM 0 HG12 ILE A 44 4.018 -11.655 2.273 1.00 73.33 H new ATOM 0 HG13 ILE A 44 4.579 -13.127 3.040 1.00 73.33 H new ATOM 0 HG21 ILE A 44 3.318 -9.942 4.575 1.00 63.54 H new ATOM 0 HG22 ILE A 44 4.939 -9.361 5.023 1.00 63.54 H new ATOM 0 HG23 ILE A 44 4.467 -9.448 3.309 1.00 63.54 H new ATOM 0 HD11 ILE A 44 2.135 -13.055 2.965 1.00 45.44 H new ATOM 0 HD12 ILE A 44 2.708 -13.018 4.649 1.00 45.44 H new ATOM 0 HD13 ILE A 44 2.138 -11.523 3.869 1.00 45.44 H new ATOM 671 N ASP A 45 7.194 -13.045 2.307 1.00 45.12 N ATOM 672 CA ASP A 45 7.613 -14.359 1.815 1.00 13.12 C ATOM 673 C ASP A 45 8.471 -15.138 2.819 1.00 34.33 C ATOM 674 O ASP A 45 8.216 -16.316 3.075 1.00 43.40 O ATOM 675 CB ASP A 45 8.387 -14.158 0.506 1.00 53.11 C ATOM 676 CG ASP A 45 8.751 -15.454 -0.187 1.00 64.15 C ATOM 677 OD1 ASP A 45 9.821 -16.021 0.118 1.00 42.43 O ATOM 678 OD2 ASP A 45 7.980 -15.893 -1.069 1.00 24.02 O ATOM 0 H ASP A 45 7.193 -12.330 1.579 1.00 45.12 H new ATOM 0 HA ASP A 45 6.717 -14.959 1.657 1.00 13.12 H new ATOM 0 HB2 ASP A 45 7.788 -13.549 -0.171 1.00 53.11 H new ATOM 0 HB3 ASP A 45 9.299 -13.599 0.715 1.00 53.11 H new ATOM 682 N GLY A 46 9.469 -14.482 3.405 1.00 5.20 N ATOM 683 CA GLY A 46 10.390 -15.183 4.285 1.00 55.22 C ATOM 684 C GLY A 46 10.227 -14.831 5.755 1.00 12.25 C ATOM 685 O GLY A 46 11.205 -14.828 6.506 1.00 70.33 O ATOM 0 H GLY A 46 9.656 -13.486 3.288 1.00 5.20 H new ATOM 0 HA2 GLY A 46 10.249 -16.257 4.161 1.00 55.22 H new ATOM 0 HA3 GLY A 46 11.412 -14.958 3.979 1.00 55.22 H new ATOM 689 N ASN A 47 9.004 -14.532 6.172 1.00 41.30 N ATOM 690 CA ASN A 47 8.730 -14.229 7.576 1.00 51.22 C ATOM 691 C ASN A 47 7.426 -14.873 8.017 1.00 30.01 C ATOM 692 O ASN A 47 6.357 -14.340 7.748 1.00 22.30 O ATOM 693 CB ASN A 47 8.640 -12.714 7.815 1.00 34.14 C ATOM 694 CG ASN A 47 9.972 -12.005 7.673 1.00 53.24 C ATOM 695 OD1 ASN A 47 10.732 -11.887 8.636 1.00 3.12 O ATOM 696 ND2 ASN A 47 10.260 -11.513 6.476 1.00 71.31 N ATOM 0 H ASN A 47 8.187 -14.492 5.563 1.00 41.30 H new ATOM 0 HA ASN A 47 9.558 -14.632 8.160 1.00 51.22 H new ATOM 0 HB2 ASN A 47 7.930 -12.283 7.109 1.00 34.14 H new ATOM 0 HB3 ASN A 47 8.245 -12.534 8.815 1.00 34.14 H new ATOM 0 HD21 ASN A 47 11.138 -11.015 6.327 1.00 71.31 H new ATOM 0 HD22 ASN A 47 9.604 -11.632 5.704 1.00 71.31 H new ATOM 702 N GLU A 48 7.518 -16.008 8.707 1.00 22.30 N ATOM 703 CA GLU A 48 6.327 -16.749 9.138 1.00 21.31 C ATOM 704 C GLU A 48 5.376 -15.881 9.958 1.00 10.42 C ATOM 705 O GLU A 48 4.160 -16.054 9.885 1.00 14.10 O ATOM 706 CB GLU A 48 6.706 -17.986 9.955 1.00 73.12 C ATOM 707 CG GLU A 48 7.269 -19.132 9.130 1.00 32.22 C ATOM 708 CD GLU A 48 8.649 -18.847 8.586 1.00 31.21 C ATOM 709 OE1 GLU A 48 9.620 -18.897 9.370 1.00 60.05 O ATOM 710 OE2 GLU A 48 8.774 -18.592 7.375 1.00 13.32 O ATOM 0 H GLU A 48 8.402 -16.437 8.981 1.00 22.30 H new ATOM 0 HA GLU A 48 5.816 -17.060 8.227 1.00 21.31 H new ATOM 0 HB2 GLU A 48 7.441 -17.699 10.707 1.00 73.12 H new ATOM 0 HB3 GLU A 48 5.824 -18.338 10.490 1.00 73.12 H new ATOM 0 HG2 GLU A 48 7.306 -20.031 9.745 1.00 32.22 H new ATOM 0 HG3 GLU A 48 6.594 -19.341 8.300 1.00 32.22 H new ATOM 715 N HIS A 49 5.929 -14.954 10.736 1.00 52.44 N ATOM 716 CA HIS A 49 5.111 -14.036 11.524 1.00 14.31 C ATOM 717 C HIS A 49 4.158 -13.270 10.613 1.00 10.14 C ATOM 718 O HIS A 49 2.975 -13.135 10.912 1.00 42.31 O ATOM 719 CB HIS A 49 5.998 -13.056 12.307 1.00 21.55 C ATOM 720 CG HIS A 49 5.242 -12.128 13.216 1.00 23.53 C ATOM 721 ND1 HIS A 49 5.459 -10.768 13.252 1.00 60.32 N ATOM 722 CD2 HIS A 49 4.285 -12.379 14.142 1.00 14.43 C ATOM 723 CE1 HIS A 49 4.668 -10.221 14.158 1.00 0.33 C ATOM 724 NE2 HIS A 49 3.948 -11.177 14.714 1.00 33.03 N ATOM 0 H HIS A 49 6.935 -14.819 10.838 1.00 52.44 H new ATOM 0 HA HIS A 49 4.528 -14.618 12.238 1.00 14.31 H new ATOM 0 HB2 HIS A 49 6.712 -13.626 12.901 1.00 21.55 H new ATOM 0 HB3 HIS A 49 6.575 -12.462 11.599 1.00 21.55 H new ATOM 0 HD2 HIS A 49 3.866 -13.344 14.385 1.00 14.43 H new ATOM 0 HE1 HIS A 49 4.619 -9.170 14.402 1.00 0.33 H new ATOM 0 HE2 HIS A 49 3.254 -11.045 15.449 1.00 33.03 H new ATOM 731 N LEU A 50 4.682 -12.779 9.499 1.00 31.24 N ATOM 732 CA LEU A 50 3.869 -12.075 8.520 1.00 3.34 C ATOM 733 C LEU A 50 3.082 -13.069 7.664 1.00 60.22 C ATOM 734 O LEU A 50 1.922 -12.833 7.337 1.00 40.43 O ATOM 735 CB LEU A 50 4.744 -11.192 7.627 1.00 13.44 C ATOM 736 CG LEU A 50 5.547 -10.101 8.348 1.00 3.12 C ATOM 737 CD1 LEU A 50 6.324 -9.268 7.344 1.00 50.24 C ATOM 738 CD2 LEU A 50 4.629 -9.208 9.170 1.00 70.13 C ATOM 0 H LEU A 50 5.668 -12.856 9.251 1.00 31.24 H new ATOM 0 HA LEU A 50 3.165 -11.439 9.057 1.00 3.34 H new ATOM 0 HB2 LEU A 50 5.441 -11.832 7.086 1.00 13.44 H new ATOM 0 HB3 LEU A 50 4.106 -10.715 6.883 1.00 13.44 H new ATOM 0 HG LEU A 50 6.251 -10.587 9.024 1.00 3.12 H new ATOM 0 HD11 LEU A 50 6.889 -8.498 7.870 1.00 50.24 H new ATOM 0 HD12 LEU A 50 7.011 -9.910 6.793 1.00 50.24 H new ATOM 0 HD13 LEU A 50 5.630 -8.797 6.648 1.00 50.24 H new ATOM 0 HD21 LEU A 50 5.220 -8.442 9.672 1.00 70.13 H new ATOM 0 HD22 LEU A 50 3.901 -8.732 8.513 1.00 70.13 H new ATOM 0 HD23 LEU A 50 4.107 -9.810 9.914 1.00 70.13 H new ATOM 749 N THR A 51 3.728 -14.178 7.307 1.00 41.42 N ATOM 750 CA THR A 51 3.115 -15.213 6.480 1.00 52.15 C ATOM 751 C THR A 51 1.816 -15.731 7.095 1.00 1.32 C ATOM 752 O THR A 51 0.770 -15.706 6.455 1.00 4.15 O ATOM 753 CB THR A 51 4.086 -16.392 6.259 1.00 42.14 C ATOM 754 OG1 THR A 51 5.279 -15.919 5.625 1.00 54.53 O ATOM 755 CG2 THR A 51 3.451 -17.478 5.402 1.00 15.03 C ATOM 0 H THR A 51 4.688 -14.383 7.583 1.00 41.42 H new ATOM 0 HA THR A 51 2.884 -14.754 5.519 1.00 52.15 H new ATOM 0 HB THR A 51 4.326 -16.821 7.232 1.00 42.14 H new ATOM 0 HG1 THR A 51 5.699 -15.234 6.187 1.00 54.53 H new ATOM 0 HG21 THR A 51 4.160 -18.294 5.265 1.00 15.03 H new ATOM 0 HG22 THR A 51 2.556 -17.855 5.896 1.00 15.03 H new ATOM 0 HG23 THR A 51 3.182 -17.064 4.430 1.00 15.03 H new ATOM 763 N ARG A 52 1.870 -16.169 8.343 1.00 32.35 N ATOM 764 CA ARG A 52 0.688 -16.706 9.011 1.00 62.24 C ATOM 765 C ARG A 52 -0.428 -15.670 9.061 1.00 42.23 C ATOM 766 O ARG A 52 -1.611 -16.011 9.037 1.00 11.22 O ATOM 767 CB ARG A 52 1.032 -17.213 10.414 1.00 10.11 C ATOM 768 CG ARG A 52 1.878 -18.474 10.392 1.00 13.35 C ATOM 769 CD ARG A 52 2.035 -19.091 11.771 1.00 31.41 C ATOM 770 NE ARG A 52 2.685 -20.399 11.695 1.00 3.34 N ATOM 771 CZ ARG A 52 2.129 -21.530 12.117 1.00 2.04 C ATOM 772 NH1 ARG A 52 0.957 -21.509 12.738 1.00 74.21 N ATOM 773 NH2 ARG A 52 2.763 -22.681 11.944 1.00 1.43 N ATOM 0 H ARG A 52 2.715 -16.165 8.915 1.00 32.35 H new ATOM 0 HA ARG A 52 0.330 -17.555 8.428 1.00 62.24 H new ATOM 0 HB2 ARG A 52 1.565 -16.433 10.957 1.00 10.11 H new ATOM 0 HB3 ARG A 52 0.110 -17.409 10.961 1.00 10.11 H new ATOM 0 HG2 ARG A 52 1.422 -19.202 9.721 1.00 13.35 H new ATOM 0 HG3 ARG A 52 2.863 -18.240 9.987 1.00 13.35 H new ATOM 0 HD2 ARG A 52 2.622 -18.427 12.405 1.00 31.41 H new ATOM 0 HD3 ARG A 52 1.056 -19.195 12.239 1.00 31.41 H new ATOM 0 HE ARG A 52 3.622 -20.446 11.294 1.00 3.34 H new ATOM 0 HH11 ARG A 52 0.478 -20.622 12.894 1.00 74.21 H new ATOM 0 HH12 ARG A 52 0.535 -22.380 13.060 1.00 74.21 H new ATOM 0 HH21 ARG A 52 3.675 -22.697 11.488 1.00 1.43 H new ATOM 0 HH22 ARG A 52 2.339 -23.551 12.267 1.00 1.43 H new ATOM 784 N LEU A 53 -0.045 -14.405 9.122 1.00 1.52 N ATOM 785 CA LEU A 53 -1.002 -13.314 9.133 1.00 43.55 C ATOM 786 C LEU A 53 -1.573 -13.041 7.739 1.00 4.34 C ATOM 787 O LEU A 53 -2.789 -13.040 7.551 1.00 51.24 O ATOM 788 CB LEU A 53 -0.344 -12.040 9.671 1.00 55.32 C ATOM 789 CG LEU A 53 -0.140 -11.993 11.185 1.00 54.30 C ATOM 790 CD1 LEU A 53 0.717 -10.796 11.573 1.00 1.32 C ATOM 791 CD2 LEU A 53 -1.483 -11.924 11.891 1.00 12.22 C ATOM 0 H LEU A 53 0.930 -14.108 9.165 1.00 1.52 H new ATOM 0 HA LEU A 53 -1.824 -13.611 9.784 1.00 43.55 H new ATOM 0 HB2 LEU A 53 0.626 -11.921 9.188 1.00 55.32 H new ATOM 0 HB3 LEU A 53 -0.954 -11.185 9.377 1.00 55.32 H new ATOM 0 HG LEU A 53 0.376 -12.902 11.493 1.00 54.30 H new ATOM 0 HD11 LEU A 53 0.851 -10.780 12.655 1.00 1.32 H new ATOM 0 HD12 LEU A 53 1.690 -10.873 11.088 1.00 1.32 H new ATOM 0 HD13 LEU A 53 0.224 -9.877 11.255 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -1.326 -11.891 12.969 1.00 12.22 H new ATOM 0 HD22 LEU A 53 -2.015 -11.027 11.574 1.00 12.22 H new ATOM 0 HD23 LEU A 53 -2.073 -12.805 11.637 1.00 12.22 H new ATOM 802 N TYR A 54 -0.698 -12.828 6.759 1.00 73.40 N ATOM 803 CA TYR A 54 -1.125 -12.263 5.485 1.00 51.43 C ATOM 804 C TYR A 54 -0.942 -13.197 4.282 1.00 41.35 C ATOM 805 O TYR A 54 -1.280 -12.809 3.177 1.00 30.14 O ATOM 806 CB TYR A 54 -0.362 -10.963 5.211 1.00 65.02 C ATOM 807 CG TYR A 54 -0.445 -9.941 6.323 1.00 71.40 C ATOM 808 CD1 TYR A 54 -1.621 -9.244 6.573 1.00 50.50 C ATOM 809 CD2 TYR A 54 0.662 -9.664 7.117 1.00 35.11 C ATOM 810 CE1 TYR A 54 -1.690 -8.301 7.582 1.00 52.34 C ATOM 811 CE2 TYR A 54 0.600 -8.726 8.128 1.00 63.34 C ATOM 812 CZ TYR A 54 -0.578 -8.043 8.357 1.00 71.01 C ATOM 813 OH TYR A 54 -0.642 -7.104 9.361 1.00 74.24 O ATOM 0 H TYR A 54 0.299 -13.036 6.822 1.00 73.40 H new ATOM 0 HA TYR A 54 -2.196 -12.089 5.590 1.00 51.43 H new ATOM 0 HB2 TYR A 54 0.686 -11.203 5.032 1.00 65.02 H new ATOM 0 HB3 TYR A 54 -0.748 -10.516 4.295 1.00 65.02 H new ATOM 0 HD1 TYR A 54 -2.495 -9.442 5.970 1.00 50.50 H new ATOM 0 HD2 TYR A 54 1.587 -10.192 6.940 1.00 35.11 H new ATOM 0 HE1 TYR A 54 -2.612 -7.768 7.763 1.00 52.34 H new ATOM 0 HE2 TYR A 54 1.469 -8.527 8.737 1.00 63.34 H new ATOM 0 HH TYR A 54 0.227 -7.046 9.811 1.00 74.24 H new ATOM 822 N ASN A 55 -0.426 -14.408 4.458 1.00 21.12 N ATOM 823 CA ASN A 55 -0.174 -15.283 3.297 1.00 25.44 C ATOM 824 C ASN A 55 -1.463 -15.560 2.525 1.00 3.40 C ATOM 825 O ASN A 55 -1.477 -15.578 1.293 1.00 3.11 O ATOM 826 CB ASN A 55 0.450 -16.616 3.712 1.00 74.41 C ATOM 827 CG ASN A 55 0.954 -17.411 2.519 1.00 34.20 C ATOM 828 OD1 ASN A 55 1.440 -16.844 1.539 1.00 62.43 O ATOM 829 ND2 ASN A 55 0.838 -18.727 2.592 1.00 25.31 N ATOM 0 H ASN A 55 -0.177 -14.807 5.363 1.00 21.12 H new ATOM 0 HA ASN A 55 0.529 -14.750 2.656 1.00 25.44 H new ATOM 0 HB2 ASN A 55 1.277 -16.430 4.398 1.00 74.41 H new ATOM 0 HB3 ASN A 55 -0.288 -17.207 4.255 1.00 74.41 H new ATOM 0 HD21 ASN A 55 1.157 -19.311 1.819 1.00 25.31 H new ATOM 0 HD22 ASN A 55 0.430 -19.158 3.422 1.00 25.31 H new ATOM 835 N ASP A 56 -2.542 -15.762 3.261 1.00 70.25 N ATOM 836 CA ASP A 56 -3.852 -16.017 2.672 1.00 74.24 C ATOM 837 C ASP A 56 -4.556 -14.710 2.321 1.00 51.34 C ATOM 838 O ASP A 56 -5.518 -14.688 1.549 1.00 10.22 O ATOM 839 CB ASP A 56 -4.711 -16.823 3.658 1.00 63.11 C ATOM 840 CG ASP A 56 -6.187 -16.844 3.295 1.00 71.34 C ATOM 841 OD1 ASP A 56 -6.574 -17.605 2.383 1.00 12.23 O ATOM 842 OD2 ASP A 56 -6.971 -16.101 3.923 1.00 55.02 O ATOM 0 H ASP A 56 -2.539 -15.755 4.281 1.00 70.25 H new ATOM 0 HA ASP A 56 -3.714 -16.588 1.754 1.00 74.24 H new ATOM 0 HB2 ASP A 56 -4.340 -17.847 3.699 1.00 63.11 H new ATOM 0 HB3 ASP A 56 -4.596 -16.402 4.657 1.00 63.11 H new ATOM 846 N ARG A 57 -4.049 -13.609 2.849 1.00 14.11 N ATOM 847 CA ARG A 57 -4.769 -12.362 2.817 1.00 62.00 C ATOM 848 C ARG A 57 -3.788 -11.221 2.625 1.00 12.35 C ATOM 849 O ARG A 57 -3.762 -10.277 3.411 1.00 21.41 O ATOM 850 CB ARG A 57 -5.532 -12.229 4.140 1.00 0.41 C ATOM 851 CG ARG A 57 -6.550 -11.109 4.178 1.00 54.04 C ATOM 852 CD ARG A 57 -7.417 -11.203 5.423 1.00 72.35 C ATOM 853 NE ARG A 57 -8.167 -12.456 5.465 1.00 42.41 N ATOM 854 CZ ARG A 57 -9.473 -12.530 5.711 1.00 74.30 C ATOM 855 NH1 ARG A 57 -10.159 -11.428 5.988 1.00 11.31 N ATOM 856 NH2 ARG A 57 -10.087 -13.705 5.696 1.00 40.22 N ATOM 0 H ARG A 57 -3.138 -13.561 3.305 1.00 14.11 H new ATOM 0 HA ARG A 57 -5.477 -12.333 1.989 1.00 62.00 H new ATOM 0 HB2 ARG A 57 -6.041 -13.171 4.345 1.00 0.41 H new ATOM 0 HB3 ARG A 57 -4.812 -12.074 4.944 1.00 0.41 H new ATOM 0 HG2 ARG A 57 -6.038 -10.147 4.159 1.00 54.04 H new ATOM 0 HG3 ARG A 57 -7.179 -11.154 3.289 1.00 54.04 H new ATOM 0 HD2 ARG A 57 -6.789 -11.125 6.311 1.00 72.35 H new ATOM 0 HD3 ARG A 57 -8.111 -10.363 5.448 1.00 72.35 H new ATOM 0 HE ARG A 57 -7.660 -13.325 5.296 1.00 42.41 H new ATOM 0 HH11 ARG A 57 -9.685 -10.525 6.012 1.00 11.31 H new ATOM 0 HH12 ARG A 57 -11.160 -11.484 6.177 1.00 11.31 H new ATOM 0 HH21 ARG A 57 -9.558 -14.554 5.496 1.00 40.22 H new ATOM 0 HH22 ARG A 57 -11.088 -13.760 5.885 1.00 40.22 H new ATOM 867 N VAL A 58 -2.972 -11.314 1.576 1.00 3.10 N ATOM 868 CA VAL A 58 -1.903 -10.384 1.394 1.00 14.54 C ATOM 869 C VAL A 58 -2.403 -9.094 0.797 1.00 72.34 C ATOM 870 O VAL A 58 -3.116 -8.370 1.484 1.00 62.34 O ATOM 871 CB VAL A 58 -0.718 -10.961 0.574 1.00 31.33 C ATOM 872 CG1 VAL A 58 0.522 -11.001 1.431 1.00 2.52 C ATOM 873 CG2 VAL A 58 -1.025 -12.354 0.033 1.00 3.24 C ATOM 0 H VAL A 58 -3.045 -12.028 0.851 1.00 3.10 H new ATOM 0 HA VAL A 58 -1.508 -10.176 2.388 1.00 14.54 H new ATOM 0 HB VAL A 58 -0.554 -10.306 -0.282 1.00 31.33 H new ATOM 0 HG11 VAL A 58 1.352 -11.407 0.852 1.00 2.52 H new ATOM 0 HG12 VAL A 58 0.769 -9.992 1.761 1.00 2.52 H new ATOM 0 HG13 VAL A 58 0.343 -11.633 2.301 1.00 2.52 H new ATOM 0 HG21 VAL A 58 -0.170 -12.721 -0.535 1.00 3.24 H new ATOM 0 HG22 VAL A 58 -1.226 -13.031 0.863 1.00 3.24 H new ATOM 0 HG23 VAL A 58 -1.899 -12.307 -0.617 1.00 3.24 H new ATOM 883 N PRO A 59 -2.192 -8.866 -0.512 1.00 62.51 N ATOM 884 CA PRO A 59 -1.923 -7.546 -1.039 1.00 3.12 C ATOM 885 C PRO A 59 -2.435 -6.414 -0.150 1.00 43.11 C ATOM 886 O PRO A 59 -3.457 -5.795 -0.432 1.00 65.04 O ATOM 887 CB PRO A 59 -2.600 -7.552 -2.414 1.00 4.34 C ATOM 888 CG PRO A 59 -2.919 -8.987 -2.720 1.00 51.31 C ATOM 889 CD PRO A 59 -2.340 -9.824 -1.610 1.00 3.25 C ATOM 0 HA PRO A 59 -0.852 -7.351 -1.094 1.00 3.12 H new ATOM 0 HB2 PRO A 59 -3.506 -6.946 -2.404 1.00 4.34 H new ATOM 0 HB3 PRO A 59 -1.942 -7.129 -3.173 1.00 4.34 H new ATOM 0 HG2 PRO A 59 -3.997 -9.134 -2.789 1.00 51.31 H new ATOM 0 HG3 PRO A 59 -2.495 -9.278 -3.681 1.00 51.31 H new ATOM 0 HD2 PRO A 59 -3.001 -10.648 -1.340 1.00 3.25 H new ATOM 0 HD3 PRO A 59 -1.383 -10.263 -1.893 1.00 3.25 H new ATOM 894 N VAL A 60 -1.723 -6.178 0.947 1.00 75.43 N ATOM 895 CA VAL A 60 -2.203 -5.299 2.001 1.00 73.52 C ATOM 896 C VAL A 60 -1.533 -3.937 1.930 1.00 42.04 C ATOM 897 O VAL A 60 -0.319 -3.813 2.107 1.00 23.43 O ATOM 898 CB VAL A 60 -1.988 -5.910 3.414 1.00 21.55 C ATOM 899 CG1 VAL A 60 -3.268 -6.523 3.953 1.00 24.04 C ATOM 900 CG2 VAL A 60 -0.901 -6.973 3.399 1.00 64.24 C ATOM 0 H VAL A 60 -0.806 -6.587 1.127 1.00 75.43 H new ATOM 0 HA VAL A 60 -3.274 -5.180 1.839 1.00 73.52 H new ATOM 0 HB VAL A 60 -1.681 -5.091 4.064 1.00 21.55 H new ATOM 0 HG11 VAL A 60 -3.083 -6.941 4.942 1.00 24.04 H new ATOM 0 HG12 VAL A 60 -4.038 -5.755 4.022 1.00 24.04 H new ATOM 0 HG13 VAL A 60 -3.603 -7.314 3.282 1.00 24.04 H new ATOM 0 HG21 VAL A 60 -0.776 -7.380 4.403 1.00 64.24 H new ATOM 0 HG22 VAL A 60 -1.184 -7.774 2.716 1.00 64.24 H new ATOM 0 HG23 VAL A 60 0.038 -6.529 3.068 1.00 64.24 H new ATOM 910 N LEU A 61 -2.336 -2.918 1.662 1.00 20.44 N ATOM 911 CA LEU A 61 -1.842 -1.558 1.591 1.00 43.30 C ATOM 912 C LEU A 61 -1.906 -0.917 2.976 1.00 40.11 C ATOM 913 O LEU A 61 -2.990 -0.648 3.506 1.00 31.52 O ATOM 914 CB LEU A 61 -2.650 -0.761 0.554 1.00 61.34 C ATOM 915 CG LEU A 61 -2.068 0.601 0.145 1.00 11.52 C ATOM 916 CD1 LEU A 61 -2.396 1.668 1.178 1.00 12.32 C ATOM 917 CD2 LEU A 61 -0.560 0.500 -0.059 1.00 31.42 C ATOM 0 H LEU A 61 -3.337 -3.012 1.490 1.00 20.44 H new ATOM 0 HA LEU A 61 -0.801 -1.557 1.269 1.00 43.30 H new ATOM 0 HB2 LEU A 61 -2.755 -1.372 -0.342 1.00 61.34 H new ATOM 0 HB3 LEU A 61 -3.653 -0.601 0.950 1.00 61.34 H new ATOM 0 HG LEU A 61 -2.527 0.893 -0.800 1.00 11.52 H new ATOM 0 HD11 LEU A 61 -1.972 2.622 0.863 1.00 12.32 H new ATOM 0 HD12 LEU A 61 -3.478 1.765 1.270 1.00 12.32 H new ATOM 0 HD13 LEU A 61 -1.974 1.384 2.142 1.00 12.32 H new ATOM 0 HD21 LEU A 61 -0.166 1.474 -0.348 1.00 31.42 H new ATOM 0 HD22 LEU A 61 -0.088 0.179 0.869 1.00 31.42 H new ATOM 0 HD23 LEU A 61 -0.347 -0.225 -0.844 1.00 31.42 H new ATOM 928 N PHE A 62 -0.736 -0.697 3.546 1.00 44.22 N ATOM 929 CA PHE A 62 -0.594 -0.168 4.889 1.00 61.01 C ATOM 930 C PHE A 62 -0.480 1.353 4.860 1.00 41.23 C ATOM 931 O PHE A 62 0.353 1.916 4.150 1.00 11.43 O ATOM 932 CB PHE A 62 0.646 -0.793 5.542 1.00 41.43 C ATOM 933 CG PHE A 62 0.954 -0.288 6.925 1.00 42.31 C ATOM 934 CD1 PHE A 62 0.220 -0.721 8.016 1.00 72.33 C ATOM 935 CD2 PHE A 62 1.986 0.612 7.130 1.00 32.25 C ATOM 936 CE1 PHE A 62 0.512 -0.265 9.288 1.00 43.15 C ATOM 937 CE2 PHE A 62 2.282 1.072 8.397 1.00 1.13 C ATOM 938 CZ PHE A 62 1.543 0.634 9.478 1.00 25.23 C ATOM 0 H PHE A 62 0.154 -0.883 3.083 1.00 44.22 H new ATOM 0 HA PHE A 62 -1.478 -0.421 5.474 1.00 61.01 H new ATOM 0 HB2 PHE A 62 0.510 -1.873 5.587 1.00 41.43 H new ATOM 0 HB3 PHE A 62 1.509 -0.607 4.902 1.00 41.43 H new ATOM 0 HD1 PHE A 62 -0.589 -1.422 7.872 1.00 72.33 H new ATOM 0 HD2 PHE A 62 2.567 0.958 6.288 1.00 32.25 H new ATOM 0 HE1 PHE A 62 -0.066 -0.611 10.132 1.00 43.15 H new ATOM 0 HE2 PHE A 62 3.090 1.773 8.543 1.00 1.13 H new ATOM 0 HZ PHE A 62 1.771 0.994 10.470 1.00 25.23 H new ATOM 947 N ALA A 63 -1.329 2.001 5.640 1.00 3.20 N ATOM 948 CA ALA A 63 -1.355 3.450 5.729 1.00 53.32 C ATOM 949 C ALA A 63 -0.289 3.963 6.692 1.00 53.52 C ATOM 950 O ALA A 63 -0.505 4.008 7.908 1.00 65.30 O ATOM 951 CB ALA A 63 -2.736 3.923 6.170 1.00 20.12 C ATOM 0 H ALA A 63 -2.020 1.536 6.229 1.00 3.20 H new ATOM 0 HA ALA A 63 -1.138 3.854 4.740 1.00 53.32 H new ATOM 0 HB1 ALA A 63 -2.745 5.011 6.234 1.00 20.12 H new ATOM 0 HB2 ALA A 63 -3.481 3.596 5.445 1.00 20.12 H new ATOM 0 HB3 ALA A 63 -2.970 3.501 7.147 1.00 20.12 H new ATOM 957 N VAL A 64 0.861 4.343 6.147 1.00 12.53 N ATOM 958 CA VAL A 64 1.949 4.895 6.949 1.00 24.41 C ATOM 959 C VAL A 64 1.641 6.345 7.293 1.00 61.54 C ATOM 960 O VAL A 64 1.967 7.266 6.539 1.00 44.42 O ATOM 961 CB VAL A 64 3.310 4.808 6.222 1.00 35.31 C ATOM 962 CG1 VAL A 64 4.445 5.291 7.118 1.00 1.42 C ATOM 963 CG2 VAL A 64 3.576 3.391 5.741 1.00 72.21 C ATOM 0 H VAL A 64 1.065 4.279 5.150 1.00 12.53 H new ATOM 0 HA VAL A 64 2.026 4.300 7.859 1.00 24.41 H new ATOM 0 HB VAL A 64 3.264 5.464 5.352 1.00 35.31 H new ATOM 0 HG11 VAL A 64 5.390 5.218 6.579 1.00 1.42 H new ATOM 0 HG12 VAL A 64 4.268 6.328 7.402 1.00 1.42 H new ATOM 0 HG13 VAL A 64 4.490 4.672 8.014 1.00 1.42 H new ATOM 0 HG21 VAL A 64 4.539 3.354 5.232 1.00 72.21 H new ATOM 0 HG22 VAL A 64 3.590 2.714 6.595 1.00 72.21 H new ATOM 0 HG23 VAL A 64 2.789 3.088 5.050 1.00 72.21 H new ATOM 973 N ASN A 65 0.983 6.520 8.431 1.00 41.40 N ATOM 974 CA ASN A 65 0.478 7.815 8.865 1.00 3.51 C ATOM 975 C ASN A 65 -0.382 7.612 10.101 1.00 44.50 C ATOM 976 O ASN A 65 -0.254 8.320 11.100 1.00 64.13 O ATOM 977 CB ASN A 65 -0.369 8.461 7.760 1.00 70.10 C ATOM 978 CG ASN A 65 -0.773 9.889 8.075 1.00 51.00 C ATOM 979 OD1 ASN A 65 -1.804 10.134 8.705 1.00 12.30 O ATOM 980 ND2 ASN A 65 0.028 10.839 7.615 1.00 11.44 N ATOM 0 H ASN A 65 0.783 5.762 9.083 1.00 41.40 H new ATOM 0 HA ASN A 65 1.319 8.472 9.088 1.00 3.51 H new ATOM 0 HB2 ASN A 65 0.192 8.447 6.826 1.00 70.10 H new ATOM 0 HB3 ASN A 65 -1.266 7.863 7.602 1.00 70.10 H new ATOM 0 HD21 ASN A 65 -0.199 11.820 7.777 1.00 11.44 H new ATOM 0 HD22 ASN A 65 0.871 10.589 7.098 1.00 11.44 H new ATOM 986 N GLU A 66 -1.255 6.615 10.018 1.00 35.45 N ATOM 987 CA GLU A 66 -2.172 6.298 11.100 1.00 25.13 C ATOM 988 C GLU A 66 -2.001 4.836 11.517 1.00 64.24 C ATOM 989 O GLU A 66 -2.645 4.361 12.455 1.00 23.12 O ATOM 990 CB GLU A 66 -3.603 6.585 10.638 1.00 53.43 C ATOM 991 CG GLU A 66 -4.571 6.902 11.764 1.00 4.12 C ATOM 992 CD GLU A 66 -5.748 7.722 11.281 1.00 52.15 C ATOM 993 OE1 GLU A 66 -5.566 8.937 11.048 1.00 3.21 O ATOM 994 OE2 GLU A 66 -6.853 7.167 11.120 1.00 14.13 O ATOM 0 H GLU A 66 -1.345 6.008 9.203 1.00 35.45 H new ATOM 0 HA GLU A 66 -1.956 6.917 11.971 1.00 25.13 H new ATOM 0 HB2 GLU A 66 -3.586 7.424 9.942 1.00 53.43 H new ATOM 0 HB3 GLU A 66 -3.975 5.721 10.087 1.00 53.43 H new ATOM 0 HG2 GLU A 66 -4.932 5.973 12.205 1.00 4.12 H new ATOM 0 HG3 GLU A 66 -4.048 7.446 12.551 1.00 4.12 H new ATOM 999 N ASP A 67 -1.115 4.141 10.797 1.00 44.52 N ATOM 1000 CA ASP A 67 -0.746 2.753 11.090 1.00 0.45 C ATOM 1001 C ASP A 67 -1.951 1.822 11.056 1.00 34.54 C ATOM 1002 O ASP A 67 -2.495 1.451 12.099 1.00 31.02 O ATOM 1003 CB ASP A 67 -0.016 2.643 12.434 1.00 71.10 C ATOM 1004 CG ASP A 67 1.423 3.119 12.367 1.00 1.05 C ATOM 1005 OD1 ASP A 67 1.695 4.124 11.681 1.00 54.41 O ATOM 1006 OD2 ASP A 67 2.290 2.494 13.015 1.00 13.22 O ATOM 0 H ASP A 67 -0.630 4.529 9.988 1.00 44.52 H new ATOM 0 HA ASP A 67 -0.063 2.435 10.302 1.00 0.45 H new ATOM 0 HB2 ASP A 67 -0.552 3.228 13.181 1.00 71.10 H new ATOM 0 HB3 ASP A 67 -0.035 1.605 12.768 1.00 71.10 H new ATOM 1010 N LYS A 68 -2.359 1.461 9.842 1.00 35.35 N ATOM 1011 CA LYS A 68 -3.493 0.569 9.624 1.00 33.00 C ATOM 1012 C LYS A 68 -3.626 0.234 8.144 1.00 1.23 C ATOM 1013 O LYS A 68 -2.835 0.698 7.326 1.00 31.02 O ATOM 1014 CB LYS A 68 -4.788 1.211 10.118 1.00 62.54 C ATOM 1015 CG LYS A 68 -5.052 2.588 9.534 1.00 1.34 C ATOM 1016 CD LYS A 68 -6.450 3.053 9.874 1.00 60.21 C ATOM 1017 CE LYS A 68 -6.682 4.502 9.493 1.00 14.00 C ATOM 1018 NZ LYS A 68 -8.038 4.953 9.886 1.00 75.32 N ATOM 0 H LYS A 68 -1.912 1.779 8.982 1.00 35.35 H new ATOM 0 HA LYS A 68 -3.315 -0.347 10.187 1.00 33.00 H new ATOM 0 HB2 LYS A 68 -5.624 0.556 9.872 1.00 62.54 H new ATOM 0 HB3 LYS A 68 -4.753 1.288 11.205 1.00 62.54 H new ATOM 0 HG2 LYS A 68 -4.322 3.299 9.922 1.00 1.34 H new ATOM 0 HG3 LYS A 68 -4.926 2.560 8.452 1.00 1.34 H new ATOM 0 HD2 LYS A 68 -7.175 2.423 9.359 1.00 60.21 H new ATOM 0 HD3 LYS A 68 -6.622 2.928 10.943 1.00 60.21 H new ATOM 0 HE2 LYS A 68 -5.934 5.131 9.975 1.00 14.00 H new ATOM 0 HE3 LYS A 68 -6.554 4.622 8.417 1.00 14.00 H new ATOM 0 HZ1 LYS A 68 -8.612 5.111 9.033 1.00 75.32 H new ATOM 0 HZ2 LYS A 68 -8.489 4.225 10.476 1.00 75.32 H new ATOM 0 HZ3 LYS A 68 -7.966 5.840 10.425 1.00 75.32 H new ATOM 1028 N GLU A 69 -4.630 -0.563 7.807 1.00 52.43 N ATOM 1029 CA GLU A 69 -4.892 -0.939 6.422 1.00 50.11 C ATOM 1030 C GLU A 69 -5.937 -0.017 5.799 1.00 4.12 C ATOM 1031 O GLU A 69 -6.894 0.386 6.466 1.00 62.22 O ATOM 1032 CB GLU A 69 -5.402 -2.381 6.365 1.00 13.43 C ATOM 1033 CG GLU A 69 -4.436 -3.405 6.934 1.00 11.42 C ATOM 1034 CD GLU A 69 -5.115 -4.729 7.215 1.00 33.43 C ATOM 1035 OE1 GLU A 69 -5.621 -5.362 6.263 1.00 34.35 O ATOM 1036 OE2 GLU A 69 -5.182 -5.123 8.398 1.00 32.10 O ATOM 0 H GLU A 69 -5.283 -0.966 8.479 1.00 52.43 H new ATOM 0 HA GLU A 69 -3.961 -0.850 5.862 1.00 50.11 H new ATOM 0 HB2 GLU A 69 -6.343 -2.444 6.911 1.00 13.43 H new ATOM 0 HB3 GLU A 69 -5.617 -2.638 5.328 1.00 13.43 H new ATOM 0 HG2 GLU A 69 -3.616 -3.559 6.232 1.00 11.42 H new ATOM 0 HG3 GLU A 69 -3.999 -3.019 7.855 1.00 11.42 H new ATOM 1041 N LEU A 70 -5.751 0.327 4.528 1.00 31.44 N ATOM 1042 CA LEU A 70 -6.785 1.034 3.776 1.00 63.14 C ATOM 1043 C LEU A 70 -7.604 0.036 2.976 1.00 73.31 C ATOM 1044 O LEU A 70 -8.828 -0.013 3.075 1.00 15.02 O ATOM 1045 CB LEU A 70 -6.189 2.078 2.823 1.00 53.33 C ATOM 1046 CG LEU A 70 -5.473 3.253 3.483 1.00 35.32 C ATOM 1047 CD1 LEU A 70 -5.016 4.237 2.421 1.00 33.12 C ATOM 1048 CD2 LEU A 70 -6.376 3.943 4.495 1.00 62.13 C ATOM 0 H LEU A 70 -4.901 0.130 4.000 1.00 31.44 H new ATOM 0 HA LEU A 70 -7.417 1.556 4.494 1.00 63.14 H new ATOM 0 HB2 LEU A 70 -5.485 1.576 2.159 1.00 53.33 H new ATOM 0 HB3 LEU A 70 -6.991 2.471 2.198 1.00 53.33 H new ATOM 0 HG LEU A 70 -4.602 2.874 4.017 1.00 35.32 H new ATOM 0 HD11 LEU A 70 -4.505 5.074 2.896 1.00 33.12 H new ATOM 0 HD12 LEU A 70 -4.333 3.739 1.733 1.00 33.12 H new ATOM 0 HD13 LEU A 70 -5.881 4.605 1.870 1.00 33.12 H new ATOM 0 HD21 LEU A 70 -5.842 4.777 4.951 1.00 62.13 H new ATOM 0 HD22 LEU A 70 -7.268 4.316 3.992 1.00 62.13 H new ATOM 0 HD23 LEU A 70 -6.666 3.232 5.268 1.00 62.13 H new ATOM 1059 N CYS A 71 -6.906 -0.765 2.186 1.00 71.44 N ATOM 1060 CA CYS A 71 -7.538 -1.770 1.355 1.00 13.32 C ATOM 1061 C CYS A 71 -6.531 -2.864 1.032 1.00 20.11 C ATOM 1062 O CYS A 71 -5.320 -2.634 1.079 1.00 32.21 O ATOM 1063 CB CYS A 71 -8.066 -1.137 0.065 1.00 45.14 C ATOM 1064 SG CYS A 71 -8.989 -2.274 -0.996 1.00 34.14 S ATOM 0 H CYS A 71 -5.890 -0.735 2.105 1.00 71.44 H new ATOM 0 HA CYS A 71 -8.380 -2.204 1.894 1.00 13.32 H new ATOM 0 HB2 CYS A 71 -8.709 -0.296 0.323 1.00 45.14 H new ATOM 0 HB3 CYS A 71 -7.225 -0.734 -0.499 1.00 45.14 H new ATOM 0 HG CYS A 71 -10.264 -2.074 -0.840 1.00 34.14 H new ATOM 1069 N HIS A 72 -7.025 -4.053 0.735 1.00 22.13 N ATOM 1070 CA HIS A 72 -6.165 -5.171 0.394 1.00 34.41 C ATOM 1071 C HIS A 72 -6.828 -6.048 -0.657 1.00 51.41 C ATOM 1072 O HIS A 72 -8.038 -5.939 -0.876 1.00 23.14 O ATOM 1073 CB HIS A 72 -5.774 -5.984 1.641 1.00 23.11 C ATOM 1074 CG HIS A 72 -6.917 -6.497 2.468 1.00 4.12 C ATOM 1075 ND1 HIS A 72 -8.058 -5.897 2.888 1.00 51.41 N flip ATOM 1076 CD2 HIS A 72 -6.940 -7.765 3.001 1.00 34.22 C flip ATOM 1077 CE1 HIS A 72 -8.738 -6.805 3.657 1.00 60.25 C flip ATOM 1078 NE2 HIS A 72 -8.042 -7.923 3.707 1.00 1.14 N flip ATOM 0 H HIS A 72 -8.022 -4.269 0.723 1.00 22.13 H new ATOM 0 HA HIS A 72 -5.242 -4.773 -0.028 1.00 34.41 H new ATOM 0 HB2 HIS A 72 -5.169 -6.833 1.323 1.00 23.11 H new ATOM 0 HB3 HIS A 72 -5.142 -5.362 2.274 1.00 23.11 H new ATOM 0 HD1 HIS A 72 -8.355 -4.946 2.672 1.00 51.41 H new ATOM 0 HD2 HIS A 72 -6.175 -8.514 2.863 1.00 34.22 H new ATOM 0 HE1 HIS A 72 -9.687 -6.633 4.142 1.00 60.25 H new ATOM 1085 N TYR A 73 -6.024 -6.904 -1.297 1.00 51.24 N ATOM 1086 CA TYR A 73 -6.458 -7.741 -2.428 1.00 31.34 C ATOM 1087 C TYR A 73 -6.605 -6.909 -3.697 1.00 61.22 C ATOM 1088 O TYR A 73 -5.976 -7.185 -4.713 1.00 54.24 O ATOM 1089 CB TYR A 73 -7.784 -8.467 -2.149 1.00 23.31 C ATOM 1090 CG TYR A 73 -7.688 -9.643 -1.204 1.00 71.50 C ATOM 1091 CD1 TYR A 73 -7.248 -10.882 -1.654 1.00 11.02 C ATOM 1092 CD2 TYR A 73 -8.058 -9.521 0.128 1.00 21.01 C ATOM 1093 CE1 TYR A 73 -7.181 -11.965 -0.801 1.00 23.44 C ATOM 1094 CE2 TYR A 73 -7.990 -10.599 0.987 1.00 14.52 C ATOM 1095 CZ TYR A 73 -7.551 -11.818 0.519 1.00 22.24 C ATOM 1096 OH TYR A 73 -7.493 -12.896 1.372 1.00 53.53 O ATOM 0 H TYR A 73 -5.045 -7.039 -1.045 1.00 51.24 H new ATOM 0 HA TYR A 73 -5.680 -8.492 -2.565 1.00 31.34 H new ATOM 0 HB2 TYR A 73 -8.494 -7.749 -1.738 1.00 23.31 H new ATOM 0 HB3 TYR A 73 -8.195 -8.815 -3.096 1.00 23.31 H new ATOM 0 HD1 TYR A 73 -6.954 -10.999 -2.687 1.00 11.02 H new ATOM 0 HD2 TYR A 73 -8.405 -8.567 0.498 1.00 21.01 H new ATOM 0 HE1 TYR A 73 -6.840 -12.923 -1.166 1.00 23.44 H new ATOM 0 HE2 TYR A 73 -8.280 -10.487 2.021 1.00 14.52 H new ATOM 0 HH TYR A 73 -6.799 -13.517 1.067 1.00 53.53 H new ATOM 1105 N PHE A 74 -7.424 -5.882 -3.617 1.00 71.14 N ATOM 1106 CA PHE A 74 -7.746 -5.057 -4.753 1.00 62.42 C ATOM 1107 C PHE A 74 -7.549 -3.608 -4.351 1.00 43.24 C ATOM 1108 O PHE A 74 -6.886 -3.327 -3.352 1.00 5.54 O ATOM 1109 CB PHE A 74 -9.189 -5.318 -5.196 1.00 51.40 C ATOM 1110 CG PHE A 74 -9.387 -6.614 -5.935 1.00 61.42 C ATOM 1111 CD1 PHE A 74 -9.182 -6.686 -7.303 1.00 34.34 C ATOM 1112 CD2 PHE A 74 -9.786 -7.758 -5.260 1.00 13.31 C ATOM 1113 CE1 PHE A 74 -9.366 -7.874 -7.982 1.00 71.14 C ATOM 1114 CE2 PHE A 74 -9.973 -8.948 -5.935 1.00 23.43 C ATOM 1115 CZ PHE A 74 -9.762 -9.006 -7.298 1.00 52.44 C ATOM 0 H PHE A 74 -7.887 -5.597 -2.754 1.00 71.14 H new ATOM 0 HA PHE A 74 -7.097 -5.291 -5.597 1.00 62.42 H new ATOM 0 HB2 PHE A 74 -9.833 -5.313 -4.316 1.00 51.40 H new ATOM 0 HB3 PHE A 74 -9.515 -4.496 -5.834 1.00 51.40 H new ATOM 0 HD1 PHE A 74 -8.875 -5.803 -7.844 1.00 34.34 H new ATOM 0 HD2 PHE A 74 -9.952 -7.718 -4.194 1.00 13.31 H new ATOM 0 HE1 PHE A 74 -9.200 -7.918 -9.048 1.00 71.14 H new ATOM 0 HE2 PHE A 74 -10.284 -9.832 -5.398 1.00 23.43 H new ATOM 0 HZ PHE A 74 -9.906 -9.936 -7.829 1.00 52.44 H new ATOM 1124 N LEU A 75 -8.122 -2.686 -5.096 1.00 11.20 N ATOM 1125 CA LEU A 75 -7.884 -1.287 -4.827 1.00 43.30 C ATOM 1126 C LEU A 75 -9.183 -0.497 -4.738 1.00 44.12 C ATOM 1127 O LEU A 75 -9.912 -0.361 -5.725 1.00 54.41 O ATOM 1128 CB LEU A 75 -6.997 -0.703 -5.915 1.00 1.12 C ATOM 1129 CG LEU A 75 -6.407 0.664 -5.587 1.00 35.02 C ATOM 1130 CD1 LEU A 75 -5.273 0.523 -4.588 1.00 54.31 C ATOM 1131 CD2 LEU A 75 -5.929 1.356 -6.849 1.00 31.33 C ATOM 0 H LEU A 75 -8.746 -2.877 -5.880 1.00 11.20 H new ATOM 0 HA LEU A 75 -7.386 -1.212 -3.860 1.00 43.30 H new ATOM 0 HB2 LEU A 75 -6.181 -1.398 -6.113 1.00 1.12 H new ATOM 0 HB3 LEU A 75 -7.577 -0.623 -6.834 1.00 1.12 H new ATOM 0 HG LEU A 75 -7.186 1.279 -5.138 1.00 35.02 H new ATOM 0 HD11 LEU A 75 -4.862 1.507 -4.363 1.00 54.31 H new ATOM 0 HD12 LEU A 75 -5.650 0.069 -3.671 1.00 54.31 H new ATOM 0 HD13 LEU A 75 -4.492 -0.109 -5.011 1.00 54.31 H new ATOM 0 HD21 LEU A 75 -5.511 2.330 -6.594 1.00 31.33 H new ATOM 0 HD22 LEU A 75 -5.163 0.747 -7.330 1.00 31.33 H new ATOM 0 HD23 LEU A 75 -6.768 1.489 -7.531 1.00 31.33 H new ATOM 1142 N ASP A 76 -9.478 0.002 -3.547 1.00 33.11 N ATOM 1143 CA ASP A 76 -10.554 0.965 -3.373 1.00 35.13 C ATOM 1144 C ASP A 76 -10.016 2.363 -3.630 1.00 54.32 C ATOM 1145 O ASP A 76 -9.583 3.058 -2.708 1.00 34.31 O ATOM 1146 CB ASP A 76 -11.166 0.891 -1.969 1.00 22.10 C ATOM 1147 CG ASP A 76 -12.134 -0.266 -1.806 1.00 73.32 C ATOM 1148 OD1 ASP A 76 -11.696 -1.365 -1.413 1.00 12.13 O ATOM 1149 OD2 ASP A 76 -13.343 -0.077 -2.060 1.00 41.40 O ATOM 0 H ASP A 76 -8.987 -0.244 -2.687 1.00 33.11 H new ATOM 0 HA ASP A 76 -11.344 0.727 -4.086 1.00 35.13 H new ATOM 0 HB2 ASP A 76 -10.366 0.795 -1.234 1.00 22.10 H new ATOM 0 HB3 ASP A 76 -11.685 1.825 -1.755 1.00 22.10 H new ATOM 1153 N SER A 77 -10.019 2.755 -4.898 1.00 61.44 N ATOM 1154 CA SER A 77 -9.486 4.043 -5.316 1.00 3.25 C ATOM 1155 C SER A 77 -10.209 5.197 -4.622 1.00 64.22 C ATOM 1156 O SER A 77 -9.634 6.258 -4.397 1.00 52.44 O ATOM 1157 CB SER A 77 -9.609 4.173 -6.836 1.00 50.40 C ATOM 1158 OG SER A 77 -9.047 3.043 -7.486 1.00 55.33 O ATOM 0 H SER A 77 -10.390 2.190 -5.662 1.00 61.44 H new ATOM 0 HA SER A 77 -8.436 4.095 -5.028 1.00 3.25 H new ATOM 0 HB2 SER A 77 -10.658 4.273 -7.113 1.00 50.40 H new ATOM 0 HB3 SER A 77 -9.103 5.079 -7.170 1.00 50.40 H new ATOM 0 HG SER A 77 -9.137 3.145 -8.456 1.00 55.33 H new ATOM 1163 N ASP A 78 -11.465 4.971 -4.267 1.00 63.43 N ATOM 1164 CA ASP A 78 -12.267 5.992 -3.605 1.00 34.54 C ATOM 1165 C ASP A 78 -11.810 6.193 -2.161 1.00 2.42 C ATOM 1166 O ASP A 78 -11.773 7.318 -1.661 1.00 52.54 O ATOM 1167 CB ASP A 78 -13.741 5.599 -3.646 1.00 71.55 C ATOM 1168 CG ASP A 78 -14.636 6.649 -3.028 1.00 31.12 C ATOM 1169 OD1 ASP A 78 -14.686 7.777 -3.554 1.00 75.35 O ATOM 1170 OD2 ASP A 78 -15.297 6.346 -2.015 1.00 74.31 O ATOM 0 H ASP A 78 -11.952 4.089 -4.426 1.00 63.43 H new ATOM 0 HA ASP A 78 -12.134 6.935 -4.135 1.00 34.54 H new ATOM 0 HB2 ASP A 78 -14.041 5.433 -4.681 1.00 71.55 H new ATOM 0 HB3 ASP A 78 -13.877 4.654 -3.119 1.00 71.55 H new ATOM 1174 N VAL A 79 -11.436 5.101 -1.508 1.00 35.50 N ATOM 1175 CA VAL A 79 -10.986 5.156 -0.121 1.00 70.33 C ATOM 1176 C VAL A 79 -9.619 5.821 -0.017 1.00 70.23 C ATOM 1177 O VAL A 79 -9.412 6.703 0.817 1.00 54.34 O ATOM 1178 CB VAL A 79 -10.954 3.750 0.522 1.00 51.20 C ATOM 1179 CG1 VAL A 79 -10.184 3.757 1.838 1.00 24.43 C ATOM 1180 CG2 VAL A 79 -12.373 3.261 0.746 1.00 5.21 C ATOM 0 H VAL A 79 -11.435 4.166 -1.915 1.00 35.50 H new ATOM 0 HA VAL A 79 -11.707 5.760 0.431 1.00 70.33 H new ATOM 0 HB VAL A 79 -10.438 3.073 -0.159 1.00 51.20 H new ATOM 0 HG11 VAL A 79 -10.181 2.753 2.263 1.00 24.43 H new ATOM 0 HG12 VAL A 79 -9.158 4.078 1.658 1.00 24.43 H new ATOM 0 HG13 VAL A 79 -10.662 4.445 2.535 1.00 24.43 H new ATOM 0 HG21 VAL A 79 -12.349 2.270 1.199 1.00 5.21 H new ATOM 0 HG22 VAL A 79 -12.895 3.951 1.409 1.00 5.21 H new ATOM 0 HG23 VAL A 79 -12.896 3.211 -0.209 1.00 5.21 H new ATOM 1190 N ILE A 80 -8.689 5.422 -0.874 1.00 15.51 N ATOM 1191 CA ILE A 80 -7.376 6.052 -0.881 1.00 63.40 C ATOM 1192 C ILE A 80 -7.489 7.489 -1.386 1.00 14.40 C ATOM 1193 O ILE A 80 -6.709 8.350 -1.000 1.00 3.10 O ATOM 1194 CB ILE A 80 -6.344 5.268 -1.723 1.00 12.35 C ATOM 1195 CG1 ILE A 80 -4.985 5.963 -1.691 1.00 61.40 C ATOM 1196 CG2 ILE A 80 -6.805 5.117 -3.151 1.00 34.21 C ATOM 1197 CD1 ILE A 80 -4.313 5.892 -0.347 1.00 64.42 C ATOM 0 H ILE A 80 -8.815 4.679 -1.561 1.00 15.51 H new ATOM 0 HA ILE A 80 -7.013 6.051 0.147 1.00 63.40 H new ATOM 0 HB ILE A 80 -6.248 4.275 -1.284 1.00 12.35 H new ATOM 0 HG12 ILE A 80 -4.335 5.510 -2.439 1.00 61.40 H new ATOM 0 HG13 ILE A 80 -5.112 7.009 -1.971 1.00 61.40 H new ATOM 0 HG21 ILE A 80 -6.058 4.561 -3.718 1.00 34.21 H new ATOM 0 HG22 ILE A 80 -7.752 4.578 -3.173 1.00 34.21 H new ATOM 0 HG23 ILE A 80 -6.939 6.103 -3.596 1.00 34.21 H new ATOM 0 HD11 ILE A 80 -3.352 6.405 -0.393 1.00 64.42 H new ATOM 0 HD12 ILE A 80 -4.944 6.371 0.401 1.00 64.42 H new ATOM 0 HD13 ILE A 80 -4.155 4.849 -0.074 1.00 64.42 H new ATOM 1208 N GLY A 81 -8.485 7.743 -2.229 1.00 51.34 N ATOM 1209 CA GLY A 81 -8.748 9.095 -2.687 1.00 61.24 C ATOM 1210 C GLY A 81 -9.154 9.999 -1.541 1.00 72.52 C ATOM 1211 O GLY A 81 -8.876 11.200 -1.552 1.00 70.14 O ATOM 0 H GLY A 81 -9.116 7.035 -2.604 1.00 51.34 H new ATOM 0 HA2 GLY A 81 -7.857 9.496 -3.171 1.00 61.24 H new ATOM 0 HA3 GLY A 81 -9.539 9.079 -3.437 1.00 61.24 H new ATOM 1215 N ALA A 82 -9.802 9.410 -0.541 1.00 64.11 N ATOM 1216 CA ALA A 82 -10.198 10.133 0.659 1.00 34.42 C ATOM 1217 C ALA A 82 -8.977 10.422 1.534 1.00 0.43 C ATOM 1218 O ALA A 82 -8.902 11.453 2.204 1.00 53.24 O ATOM 1219 CB ALA A 82 -11.238 9.327 1.435 1.00 12.02 C ATOM 0 H ALA A 82 -10.065 8.425 -0.540 1.00 64.11 H new ATOM 0 HA ALA A 82 -10.642 11.085 0.368 1.00 34.42 H new ATOM 0 HB1 ALA A 82 -11.529 9.875 2.331 1.00 12.02 H new ATOM 0 HB2 ALA A 82 -12.115 9.165 0.808 1.00 12.02 H new ATOM 0 HB3 ALA A 82 -10.814 8.364 1.720 1.00 12.02 H new ATOM 1225 N TYR A 83 -8.016 9.508 1.510 1.00 1.05 N ATOM 1226 CA TYR A 83 -6.786 9.657 2.280 1.00 61.04 C ATOM 1227 C TYR A 83 -5.803 10.579 1.568 1.00 71.35 C ATOM 1228 O TYR A 83 -5.286 11.529 2.154 1.00 42.03 O ATOM 1229 CB TYR A 83 -6.148 8.279 2.525 1.00 51.22 C ATOM 1230 CG TYR A 83 -4.721 8.323 3.042 1.00 55.20 C ATOM 1231 CD1 TYR A 83 -4.448 8.439 4.399 1.00 31.12 C ATOM 1232 CD2 TYR A 83 -3.647 8.247 2.162 1.00 13.12 C ATOM 1233 CE1 TYR A 83 -3.144 8.478 4.864 1.00 14.42 C ATOM 1234 CE2 TYR A 83 -2.344 8.286 2.617 1.00 21.23 C ATOM 1235 CZ TYR A 83 -2.097 8.401 3.968 1.00 54.01 C ATOM 1236 OH TYR A 83 -0.797 8.442 4.422 1.00 70.30 O ATOM 0 H TYR A 83 -8.065 8.649 0.962 1.00 1.05 H new ATOM 0 HA TYR A 83 -7.035 10.109 3.240 1.00 61.04 H new ATOM 0 HB2 TYR A 83 -6.762 7.731 3.240 1.00 51.22 H new ATOM 0 HB3 TYR A 83 -6.165 7.715 1.592 1.00 51.22 H new ATOM 0 HD1 TYR A 83 -5.265 8.500 5.102 1.00 31.12 H new ATOM 0 HD2 TYR A 83 -3.836 8.156 1.103 1.00 13.12 H new ATOM 0 HE1 TYR A 83 -2.947 8.568 5.922 1.00 14.42 H new ATOM 0 HE2 TYR A 83 -1.523 8.227 1.918 1.00 21.23 H new ATOM 0 HH TYR A 83 -0.291 7.698 4.034 1.00 70.30 H new ATOM 1245 N LEU A 84 -5.554 10.285 0.304 1.00 51.44 N ATOM 1246 CA LEU A 84 -4.602 11.040 -0.491 1.00 2.41 C ATOM 1247 C LEU A 84 -5.059 12.476 -0.693 1.00 34.11 C ATOM 1248 O LEU A 84 -4.313 13.408 -0.400 1.00 62.24 O ATOM 1249 CB LEU A 84 -4.382 10.350 -1.844 1.00 52.23 C ATOM 1250 CG LEU A 84 -3.285 9.290 -1.858 1.00 40.23 C ATOM 1251 CD1 LEU A 84 -3.186 8.651 -3.231 1.00 23.33 C ATOM 1252 CD2 LEU A 84 -1.953 9.891 -1.440 1.00 44.21 C ATOM 0 H LEU A 84 -6.004 9.520 -0.198 1.00 51.44 H new ATOM 0 HA LEU A 84 -3.657 11.069 0.052 1.00 2.41 H new ATOM 0 HB2 LEU A 84 -5.318 9.886 -2.154 1.00 52.23 H new ATOM 0 HB3 LEU A 84 -4.141 11.110 -2.587 1.00 52.23 H new ATOM 0 HG LEU A 84 -3.543 8.513 -1.138 1.00 40.23 H new ATOM 0 HD11 LEU A 84 -2.399 7.897 -3.225 1.00 23.33 H new ATOM 0 HD12 LEU A 84 -4.137 8.181 -3.483 1.00 23.33 H new ATOM 0 HD13 LEU A 84 -2.951 9.415 -3.972 1.00 23.33 H new ATOM 0 HD21 LEU A 84 -1.184 9.119 -1.457 1.00 44.21 H new ATOM 0 HD22 LEU A 84 -1.681 10.689 -2.131 1.00 44.21 H new ATOM 0 HD23 LEU A 84 -2.037 10.297 -0.432 1.00 44.21 H new ATOM 1263 N SER A 85 -6.298 12.640 -1.139 1.00 55.45 N ATOM 1264 CA SER A 85 -6.824 13.947 -1.523 1.00 62.20 C ATOM 1265 C SER A 85 -5.853 14.691 -2.450 1.00 50.25 C ATOM 1266 O SER A 85 -4.776 14.181 -2.752 1.00 0.00 O ATOM 1267 CB SER A 85 -7.140 14.772 -0.275 1.00 13.51 C ATOM 1268 OG SER A 85 -8.092 14.106 0.543 1.00 51.34 O ATOM 0 H SER A 85 -6.965 11.876 -1.245 1.00 55.45 H new ATOM 0 HA SER A 85 -7.748 13.795 -2.081 1.00 62.20 H new ATOM 0 HB2 SER A 85 -6.226 14.947 0.292 1.00 13.51 H new ATOM 0 HB3 SER A 85 -7.525 15.749 -0.567 1.00 13.51 H new ATOM 0 HG SER A 85 -8.279 14.650 1.337 1.00 51.34 H new TER 1273 SER A 85