USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 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+ -111:sc= 0.124 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -0.614 (180deg=-1.02) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 1.02 (180deg=0.543) USER MOD Single : A 13 TYR OH : rot 150:sc= 0.256 USER MOD Single : A 15 MET CE :methyl -130:sc= -1.15 (180deg=-2.73!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.954 (180deg=-2.3!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -172:sc= -1.16 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 160:sc= -2.31! (180deg=-2.96!) USER MOD Single : A 44 ASN : amide:sc= -0.356! C(o=-0.36!,f=-9.3!) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= -0.0108 (180deg=-0.101) USER MOD Single : A 49 MET CE :methyl 162:sc= -3.47! (180deg=-3.9!) USER MOD Single : A 51 TYR OH : rot -104:sc= 0.216 USER MOD Single : A 56 MET CE :methyl 154:sc= -2.64 (180deg=-3.92!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -22:sc= 0.0694 USER MOD Single : A 64 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.3) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : A 77 SER OG : rot -25:sc= 0.32 USER MOD Single : A 79 THR OG1 : rot 80:sc= 0.922 USER MOD Single : A 82 GLN : amide:sc= -0.0861 K(o=-0.086,f=-2.5!) USER MOD Single : A 84 LYS NZ :NH3+ -105:sc= 0.564 (180deg=-0.419) USER MOD Single : A 87 SER OG : rot -27:sc= 0.064 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.571 18.611 -3.671 1.00 53.24 N ATOM 2 CA MET A 1 1.889 17.964 -2.383 1.00 11.44 C ATOM 3 C MET A 1 1.697 16.450 -2.484 1.00 62.45 C ATOM 4 O MET A 1 1.325 15.931 -3.547 1.00 62.12 O ATOM 5 CB MET A 1 1.024 18.568 -1.241 1.00 10.03 C ATOM 6 CG MET A 1 -0.502 18.415 -1.383 1.00 42.11 C ATOM 7 SD MET A 1 -1.388 19.234 -0.029 1.00 73.31 S ATOM 8 CE MET A 1 -3.107 19.023 -0.497 1.00 63.21 C ATOM 0 H1 MET A 1 2.443 18.984 -4.097 1.00 53.24 H new ATOM 0 H2 MET A 1 1.142 17.914 -4.313 1.00 53.24 H new ATOM 0 H3 MET A 1 0.903 19.392 -3.512 1.00 53.24 H new ATOM 0 HA MET A 1 2.936 18.154 -2.145 1.00 11.44 H new ATOM 0 HB2 MET A 1 1.328 18.106 -0.302 1.00 10.03 H new ATOM 0 HB3 MET A 1 1.255 19.630 -1.163 1.00 10.03 H new ATOM 0 HG2 MET A 1 -0.823 18.837 -2.335 1.00 42.11 H new ATOM 0 HG3 MET A 1 -0.761 17.356 -1.400 1.00 42.11 H new ATOM 0 HE1 MET A 1 -3.748 19.483 0.255 1.00 63.21 H new ATOM 0 HE2 MET A 1 -3.282 19.497 -1.463 1.00 63.21 H new ATOM 0 HE3 MET A 1 -3.337 17.960 -0.568 1.00 63.21 H new ATOM 20 N ASP A 2 1.963 15.750 -1.365 1.00 3.34 N ATOM 21 CA ASP A 2 1.749 14.297 -1.248 1.00 33.31 C ATOM 22 C ASP A 2 0.247 13.978 -1.079 1.00 32.31 C ATOM 23 O ASP A 2 -0.618 14.782 -1.468 1.00 24.02 O ATOM 24 CB ASP A 2 2.578 13.735 -0.060 1.00 24.51 C ATOM 25 CG ASP A 2 2.109 14.257 1.316 1.00 12.35 C ATOM 26 OD1 ASP A 2 2.484 15.385 1.696 1.00 12.32 O ATOM 27 OD2 ASP A 2 1.347 13.543 2.010 1.00 13.14 O ATOM 0 H ASP A 2 2.333 16.178 -0.516 1.00 3.34 H new ATOM 0 HA ASP A 2 2.088 13.815 -2.165 1.00 33.31 H new ATOM 0 HB2 ASP A 2 2.518 12.647 -0.067 1.00 24.51 H new ATOM 0 HB3 ASP A 2 3.626 13.997 -0.202 1.00 24.51 H new ATOM 32 N GLY A 3 -0.065 12.787 -0.532 1.00 63.14 N ATOM 33 CA GLY A 3 -1.438 12.356 -0.337 1.00 15.51 C ATOM 34 C GLY A 3 -1.970 11.696 -1.587 1.00 54.54 C ATOM 35 O GLY A 3 -2.282 10.511 -1.584 1.00 52.34 O ATOM 0 H GLY A 3 0.631 12.110 -0.219 1.00 63.14 H new ATOM 0 HA2 GLY A 3 -1.491 11.659 0.499 1.00 15.51 H new ATOM 0 HA3 GLY A 3 -2.061 13.212 -0.078 1.00 15.51 H new ATOM 39 N GLU A 4 -2.045 12.476 -2.675 1.00 71.34 N ATOM 40 CA GLU A 4 -2.440 11.979 -4.010 1.00 22.50 C ATOM 41 C GLU A 4 -1.222 11.474 -4.800 1.00 2.42 C ATOM 42 O GLU A 4 -1.276 10.420 -5.444 1.00 52.22 O ATOM 43 CB GLU A 4 -3.178 13.082 -4.805 1.00 13.44 C ATOM 44 CG GLU A 4 -4.443 13.613 -4.115 1.00 61.20 C ATOM 45 CD GLU A 4 -5.205 14.629 -4.980 1.00 21.21 C ATOM 46 OE1 GLU A 4 -4.911 15.844 -4.910 1.00 5.51 O ATOM 47 OE2 GLU A 4 -6.101 14.207 -5.746 1.00 5.42 O ATOM 0 H GLU A 4 -1.834 13.474 -2.658 1.00 71.34 H new ATOM 0 HA GLU A 4 -3.119 11.139 -3.865 1.00 22.50 H new ATOM 0 HB2 GLU A 4 -2.493 13.913 -4.974 1.00 13.44 H new ATOM 0 HB3 GLU A 4 -3.449 12.689 -5.785 1.00 13.44 H new ATOM 0 HG2 GLU A 4 -5.101 12.777 -3.878 1.00 61.20 H new ATOM 0 HG3 GLU A 4 -4.168 14.080 -3.169 1.00 61.20 H new ATOM 54 N GLU A 5 -0.126 12.243 -4.712 1.00 73.24 N ATOM 55 CA GLU A 5 1.148 11.969 -5.404 1.00 71.32 C ATOM 56 C GLU A 5 1.677 10.558 -5.090 1.00 1.01 C ATOM 57 O GLU A 5 2.084 9.809 -5.985 1.00 32.12 O ATOM 58 CB GLU A 5 2.177 13.048 -4.976 1.00 25.42 C ATOM 59 CG GLU A 5 3.597 12.842 -5.518 1.00 41.22 C ATOM 60 CD GLU A 5 4.591 13.894 -4.998 1.00 41.42 C ATOM 61 OE1 GLU A 5 5.177 13.693 -3.912 1.00 73.53 O ATOM 62 OE2 GLU A 5 4.774 14.938 -5.664 1.00 45.15 O ATOM 0 H GLU A 5 -0.098 13.091 -4.146 1.00 73.24 H new ATOM 0 HA GLU A 5 0.985 12.009 -6.481 1.00 71.32 H new ATOM 0 HB2 GLU A 5 1.817 14.023 -5.305 1.00 25.42 H new ATOM 0 HB3 GLU A 5 2.220 13.075 -3.887 1.00 25.42 H new ATOM 0 HG2 GLU A 5 3.947 11.848 -5.239 1.00 41.22 H new ATOM 0 HG3 GLU A 5 3.574 12.877 -6.607 1.00 41.22 H new ATOM 69 N VAL A 6 1.615 10.209 -3.810 1.00 12.53 N ATOM 70 CA VAL A 6 2.196 8.976 -3.293 1.00 61.20 C ATOM 71 C VAL A 6 1.366 7.741 -3.668 1.00 63.00 C ATOM 72 O VAL A 6 1.933 6.658 -3.809 1.00 71.12 O ATOM 73 CB VAL A 6 2.396 9.063 -1.744 1.00 41.52 C ATOM 74 CG1 VAL A 6 1.053 9.144 -0.978 1.00 72.02 C ATOM 75 CG2 VAL A 6 3.274 7.905 -1.242 1.00 71.31 C ATOM 0 H VAL A 6 1.157 10.777 -3.097 1.00 12.53 H new ATOM 0 HA VAL A 6 3.172 8.860 -3.764 1.00 61.20 H new ATOM 0 HB VAL A 6 2.919 9.996 -1.536 1.00 41.52 H new ATOM 0 HG11 VAL A 6 1.248 9.203 0.093 1.00 72.02 H new ATOM 0 HG12 VAL A 6 0.506 10.031 -1.296 1.00 72.02 H new ATOM 0 HG13 VAL A 6 0.459 8.255 -1.190 1.00 72.02 H new ATOM 0 HG21 VAL A 6 3.400 7.985 -0.162 1.00 71.31 H new ATOM 0 HG22 VAL A 6 2.796 6.955 -1.482 1.00 71.31 H new ATOM 0 HG23 VAL A 6 4.250 7.952 -1.726 1.00 71.31 H new ATOM 85 N LYS A 7 0.041 7.934 -3.871 1.00 33.32 N ATOM 86 CA LYS A 7 -0.911 6.829 -4.140 1.00 40.03 C ATOM 87 C LYS A 7 -0.401 5.912 -5.260 1.00 52.02 C ATOM 88 O LYS A 7 -0.238 4.702 -5.075 1.00 40.13 O ATOM 89 CB LYS A 7 -2.312 7.387 -4.523 1.00 11.13 C ATOM 90 CG LYS A 7 -3.011 8.189 -3.429 1.00 64.44 C ATOM 91 CD LYS A 7 -4.499 8.519 -3.745 1.00 2.24 C ATOM 92 CE LYS A 7 -4.725 9.355 -5.026 1.00 21.44 C ATOM 93 NZ LYS A 7 -4.707 8.545 -6.275 1.00 1.45 N ATOM 0 H LYS A 7 -0.397 8.855 -3.853 1.00 33.32 H new ATOM 0 HA LYS A 7 -0.996 6.245 -3.224 1.00 40.03 H new ATOM 0 HB2 LYS A 7 -2.205 8.020 -5.404 1.00 11.13 H new ATOM 0 HB3 LYS A 7 -2.953 6.552 -4.806 1.00 11.13 H new ATOM 0 HG2 LYS A 7 -2.963 7.630 -2.495 1.00 64.44 H new ATOM 0 HG3 LYS A 7 -2.468 9.121 -3.271 1.00 64.44 H new ATOM 0 HD2 LYS A 7 -5.051 7.584 -3.837 1.00 2.24 H new ATOM 0 HD3 LYS A 7 -4.924 9.058 -2.898 1.00 2.24 H new ATOM 0 HE2 LYS A 7 -5.683 9.870 -4.950 1.00 21.44 H new ATOM 0 HE3 LYS A 7 -3.954 10.123 -5.090 1.00 21.44 H new ATOM 0 HZ1 LYS A 7 -5.272 9.022 -7.006 1.00 1.45 H new ATOM 0 HZ2 LYS A 7 -3.727 8.441 -6.607 1.00 1.45 H new ATOM 0 HZ3 LYS A 7 -5.110 7.605 -6.085 1.00 1.45 H new ATOM 107 N GLU A 8 -0.143 6.520 -6.415 1.00 33.30 N ATOM 108 CA GLU A 8 0.309 5.808 -7.616 1.00 10.24 C ATOM 109 C GLU A 8 1.726 5.241 -7.437 1.00 70.22 C ATOM 110 O GLU A 8 2.035 4.184 -7.977 1.00 75.33 O ATOM 111 CB GLU A 8 0.204 6.735 -8.849 1.00 1.14 C ATOM 112 CG GLU A 8 0.930 8.090 -8.708 1.00 62.15 C ATOM 113 CD GLU A 8 0.719 9.014 -9.919 1.00 25.31 C ATOM 114 OE1 GLU A 8 -0.397 9.566 -10.068 1.00 70.34 O ATOM 115 OE2 GLU A 8 1.651 9.182 -10.738 1.00 0.21 O ATOM 0 H GLU A 8 -0.241 7.526 -6.549 1.00 33.30 H new ATOM 0 HA GLU A 8 -0.345 4.951 -7.780 1.00 10.24 H new ATOM 0 HB2 GLU A 8 0.609 6.211 -9.715 1.00 1.14 H new ATOM 0 HB3 GLU A 8 -0.850 6.924 -9.055 1.00 1.14 H new ATOM 0 HG2 GLU A 8 0.577 8.593 -7.808 1.00 62.15 H new ATOM 0 HG3 GLU A 8 1.997 7.912 -8.575 1.00 62.15 H new ATOM 122 N LYS A 9 2.575 5.921 -6.641 1.00 64.41 N ATOM 123 CA LYS A 9 3.945 5.434 -6.364 1.00 0.12 C ATOM 124 C LYS A 9 3.911 4.139 -5.535 1.00 34.43 C ATOM 125 O LYS A 9 4.840 3.330 -5.608 1.00 3.52 O ATOM 126 CB LYS A 9 4.799 6.502 -5.647 1.00 15.30 C ATOM 127 CG LYS A 9 4.901 7.858 -6.374 1.00 75.33 C ATOM 128 CD LYS A 9 5.985 8.781 -5.760 1.00 41.11 C ATOM 129 CE LYS A 9 5.866 8.961 -4.236 1.00 2.53 C ATOM 130 NZ LYS A 9 6.955 9.813 -3.691 1.00 63.30 N ATOM 0 H LYS A 9 2.341 6.801 -6.181 1.00 64.41 H new ATOM 0 HA LYS A 9 4.410 5.223 -7.327 1.00 0.12 H new ATOM 0 HB2 LYS A 9 4.382 6.671 -4.654 1.00 15.30 H new ATOM 0 HB3 LYS A 9 5.805 6.106 -5.507 1.00 15.30 H new ATOM 0 HG2 LYS A 9 5.128 7.686 -7.426 1.00 75.33 H new ATOM 0 HG3 LYS A 9 3.935 8.361 -6.334 1.00 75.33 H new ATOM 0 HD2 LYS A 9 6.969 8.372 -5.991 1.00 41.11 H new ATOM 0 HD3 LYS A 9 5.926 9.760 -6.237 1.00 41.11 H new ATOM 0 HE2 LYS A 9 4.901 9.409 -3.998 1.00 2.53 H new ATOM 0 HE3 LYS A 9 5.892 7.985 -3.752 1.00 2.53 H new ATOM 0 HZ1 LYS A 9 7.131 9.559 -2.698 1.00 63.30 H new ATOM 0 HZ2 LYS A 9 7.822 9.664 -4.245 1.00 63.30 H new ATOM 0 HZ3 LYS A 9 6.675 10.813 -3.748 1.00 63.30 H new ATOM 144 N ILE A 10 2.828 3.957 -4.749 1.00 62.40 N ATOM 145 CA ILE A 10 2.583 2.701 -4.019 1.00 23.32 C ATOM 146 C ILE A 10 2.396 1.565 -5.033 1.00 65.21 C ATOM 147 O ILE A 10 3.001 0.507 -4.893 1.00 45.02 O ATOM 148 CB ILE A 10 1.336 2.793 -3.061 1.00 71.10 C ATOM 149 CG1 ILE A 10 1.470 3.991 -2.068 1.00 13.51 C ATOM 150 CG2 ILE A 10 1.112 1.474 -2.286 1.00 52.42 C ATOM 151 CD1 ILE A 10 2.734 3.984 -1.210 1.00 30.21 C ATOM 0 H ILE A 10 2.110 4.667 -4.606 1.00 62.40 H new ATOM 0 HA ILE A 10 3.447 2.504 -3.385 1.00 23.32 H new ATOM 0 HB ILE A 10 0.463 2.965 -3.691 1.00 71.10 H new ATOM 0 HG12 ILE A 10 1.442 4.920 -2.638 1.00 13.51 H new ATOM 0 HG13 ILE A 10 0.602 3.995 -1.409 1.00 13.51 H new ATOM 0 HG21 ILE A 10 0.243 1.577 -1.636 1.00 52.42 H new ATOM 0 HG22 ILE A 10 0.943 0.661 -2.992 1.00 52.42 H new ATOM 0 HG23 ILE A 10 1.992 1.253 -1.683 1.00 52.42 H new ATOM 0 HD11 ILE A 10 2.734 4.855 -0.555 1.00 30.21 H new ATOM 0 HD12 ILE A 10 2.759 3.076 -0.607 1.00 30.21 H new ATOM 0 HD13 ILE A 10 3.612 4.016 -1.855 1.00 30.21 H new ATOM 163 N ARG A 11 1.590 1.831 -6.084 1.00 14.44 N ATOM 164 CA ARG A 11 1.368 0.867 -7.188 1.00 22.31 C ATOM 165 C ARG A 11 2.685 0.493 -7.872 1.00 34.55 C ATOM 166 O ARG A 11 2.978 -0.687 -8.027 1.00 33.10 O ATOM 167 CB ARG A 11 0.360 1.396 -8.243 1.00 52.23 C ATOM 168 CG ARG A 11 -1.107 1.432 -7.776 1.00 24.50 C ATOM 169 CD ARG A 11 -1.565 0.098 -7.147 1.00 10.44 C ATOM 170 NE ARG A 11 -3.025 -0.060 -7.105 1.00 24.20 N ATOM 171 CZ ARG A 11 -3.701 -0.745 -6.178 1.00 74.13 C ATOM 172 NH1 ARG A 11 -3.065 -1.329 -5.186 1.00 23.43 N ATOM 173 NH2 ARG A 11 -5.019 -0.853 -6.264 1.00 2.42 N ATOM 0 H ARG A 11 1.080 2.708 -6.192 1.00 14.44 H new ATOM 0 HA ARG A 11 0.937 -0.024 -6.732 1.00 22.31 H new ATOM 0 HB2 ARG A 11 0.658 2.403 -8.536 1.00 52.23 H new ATOM 0 HB3 ARG A 11 0.427 0.772 -9.134 1.00 52.23 H new ATOM 0 HG2 ARG A 11 -1.233 2.234 -7.049 1.00 24.50 H new ATOM 0 HG3 ARG A 11 -1.749 1.668 -8.625 1.00 24.50 H new ATOM 0 HD2 ARG A 11 -1.134 -0.728 -7.713 1.00 10.44 H new ATOM 0 HD3 ARG A 11 -1.171 0.029 -6.133 1.00 10.44 H new ATOM 0 HE ARG A 11 -3.567 0.390 -7.843 1.00 24.20 H new ATOM 0 HH11 ARG A 11 -2.049 -1.261 -5.121 1.00 23.43 H new ATOM 0 HH12 ARG A 11 -3.587 -1.850 -4.482 1.00 23.43 H new ATOM 0 HH21 ARG A 11 -5.517 -0.413 -7.038 1.00 2.42 H new ATOM 0 HH22 ARG A 11 -5.535 -1.376 -5.556 1.00 2.42 H new ATOM 187 N ARG A 12 3.471 1.516 -8.243 1.00 51.31 N ATOM 188 CA ARG A 12 4.766 1.333 -8.943 1.00 32.34 C ATOM 189 C ARG A 12 5.733 0.468 -8.110 1.00 30.23 C ATOM 190 O ARG A 12 6.413 -0.408 -8.647 1.00 74.42 O ATOM 191 CB ARG A 12 5.411 2.714 -9.289 1.00 23.15 C ATOM 192 CG ARG A 12 4.926 3.352 -10.618 1.00 54.23 C ATOM 193 CD ARG A 12 3.445 3.743 -10.614 1.00 52.02 C ATOM 194 NE ARG A 12 2.978 4.274 -11.908 1.00 5.43 N ATOM 195 CZ ARG A 12 2.596 5.540 -12.136 1.00 63.33 C ATOM 196 NH1 ARG A 12 2.627 6.445 -11.175 1.00 33.34 N ATOM 197 NH2 ARG A 12 2.162 5.883 -13.337 1.00 43.04 N ATOM 0 H ARG A 12 3.234 2.493 -8.070 1.00 51.31 H new ATOM 0 HA ARG A 12 4.569 0.806 -9.877 1.00 32.34 H new ATOM 0 HB2 ARG A 12 5.205 3.408 -8.474 1.00 23.15 H new ATOM 0 HB3 ARG A 12 6.493 2.591 -9.337 1.00 23.15 H new ATOM 0 HG2 ARG A 12 5.525 4.239 -10.824 1.00 54.23 H new ATOM 0 HG3 ARG A 12 5.104 2.650 -11.433 1.00 54.23 H new ATOM 0 HD2 ARG A 12 2.847 2.871 -10.350 1.00 52.02 H new ATOM 0 HD3 ARG A 12 3.276 4.491 -9.840 1.00 52.02 H new ATOM 0 HE ARG A 12 2.942 3.626 -12.695 1.00 5.43 H new ATOM 0 HH11 ARG A 12 2.945 6.186 -10.241 1.00 33.34 H new ATOM 0 HH12 ARG A 12 2.333 7.403 -11.367 1.00 33.34 H new ATOM 0 HH21 ARG A 12 2.119 5.187 -14.082 1.00 43.04 H new ATOM 0 HH22 ARG A 12 1.870 6.843 -13.519 1.00 43.04 H new ATOM 211 N TYR A 13 5.752 0.721 -6.800 1.00 74.12 N ATOM 212 CA TYR A 13 6.584 -0.035 -5.839 1.00 40.53 C ATOM 213 C TYR A 13 6.176 -1.522 -5.793 1.00 71.43 C ATOM 214 O TYR A 13 7.036 -2.410 -5.846 1.00 34.15 O ATOM 215 CB TYR A 13 6.481 0.615 -4.441 1.00 3.41 C ATOM 216 CG TYR A 13 7.204 -0.148 -3.314 1.00 1.43 C ATOM 217 CD1 TYR A 13 8.595 -0.320 -3.336 1.00 64.33 C ATOM 218 CD2 TYR A 13 6.503 -0.670 -2.228 1.00 71.04 C ATOM 219 CE1 TYR A 13 9.251 -0.972 -2.318 1.00 62.33 C ATOM 220 CE2 TYR A 13 7.161 -1.329 -1.209 1.00 33.41 C ATOM 221 CZ TYR A 13 8.534 -1.473 -1.257 1.00 31.20 C ATOM 222 OH TYR A 13 9.193 -2.113 -0.231 1.00 52.22 O ATOM 0 H TYR A 13 5.193 1.456 -6.367 1.00 74.12 H new ATOM 0 HA TYR A 13 7.622 0.002 -6.170 1.00 40.53 H new ATOM 0 HB2 TYR A 13 6.888 1.625 -4.495 1.00 3.41 H new ATOM 0 HB3 TYR A 13 5.428 0.710 -4.178 1.00 3.41 H new ATOM 0 HD1 TYR A 13 9.163 0.067 -4.169 1.00 64.33 H new ATOM 0 HD2 TYR A 13 5.430 -0.557 -2.183 1.00 71.04 H new ATOM 0 HE1 TYR A 13 10.324 -1.090 -2.352 1.00 62.33 H new ATOM 0 HE2 TYR A 13 6.604 -1.731 -0.376 1.00 33.41 H new ATOM 0 HH TYR A 13 8.695 -1.991 0.604 1.00 52.22 H new ATOM 232 N ILE A 14 4.858 -1.765 -5.709 1.00 63.31 N ATOM 233 CA ILE A 14 4.293 -3.120 -5.639 1.00 2.22 C ATOM 234 C ILE A 14 4.638 -3.900 -6.920 1.00 62.55 C ATOM 235 O ILE A 14 5.160 -4.998 -6.850 1.00 64.31 O ATOM 236 CB ILE A 14 2.739 -3.072 -5.368 1.00 73.11 C ATOM 237 CG1 ILE A 14 2.455 -2.408 -3.979 1.00 65.42 C ATOM 238 CG2 ILE A 14 2.104 -4.482 -5.429 1.00 24.32 C ATOM 239 CD1 ILE A 14 0.989 -2.170 -3.669 1.00 24.30 C ATOM 0 H ILE A 14 4.155 -1.026 -5.688 1.00 63.31 H new ATOM 0 HA ILE A 14 4.740 -3.649 -4.797 1.00 2.22 H new ATOM 0 HB ILE A 14 2.282 -2.471 -6.154 1.00 73.11 H new ATOM 0 HG12 ILE A 14 2.878 -3.040 -3.198 1.00 65.42 H new ATOM 0 HG13 ILE A 14 2.980 -1.453 -3.936 1.00 65.42 H new ATOM 0 HG21 ILE A 14 1.034 -4.408 -5.237 1.00 24.32 H new ATOM 0 HG22 ILE A 14 2.267 -4.912 -6.417 1.00 24.32 H new ATOM 0 HG23 ILE A 14 2.564 -5.121 -4.675 1.00 24.32 H new ATOM 0 HD11 ILE A 14 0.895 -1.707 -2.687 1.00 24.30 H new ATOM 0 HD12 ILE A 14 0.560 -1.510 -4.423 1.00 24.30 H new ATOM 0 HD13 ILE A 14 0.457 -3.121 -3.674 1.00 24.30 H new ATOM 251 N MET A 15 4.434 -3.268 -8.075 1.00 45.42 N ATOM 252 CA MET A 15 4.654 -3.913 -9.386 1.00 13.51 C ATOM 253 C MET A 15 6.136 -4.238 -9.628 1.00 34.03 C ATOM 254 O MET A 15 6.470 -5.357 -10.010 1.00 23.34 O ATOM 255 CB MET A 15 4.115 -3.011 -10.521 1.00 43.12 C ATOM 256 CG MET A 15 2.626 -2.700 -10.411 1.00 10.31 C ATOM 257 SD MET A 15 1.584 -4.167 -10.459 1.00 43.12 S ATOM 258 CE MET A 15 1.831 -4.688 -12.145 1.00 50.23 C ATOM 0 H MET A 15 4.114 -2.302 -8.138 1.00 45.42 H new ATOM 0 HA MET A 15 4.108 -4.857 -9.381 1.00 13.51 H new ATOM 0 HB2 MET A 15 4.672 -2.074 -10.523 1.00 43.12 H new ATOM 0 HB3 MET A 15 4.305 -3.496 -11.478 1.00 43.12 H new ATOM 0 HG2 MET A 15 2.442 -2.163 -9.480 1.00 10.31 H new ATOM 0 HG3 MET A 15 2.340 -2.034 -11.225 1.00 10.31 H new ATOM 0 HE1 MET A 15 0.864 -4.864 -12.617 1.00 50.23 H new ATOM 0 HE2 MET A 15 2.365 -3.911 -12.692 1.00 50.23 H new ATOM 0 HE3 MET A 15 2.415 -5.608 -12.160 1.00 50.23 H new ATOM 268 N GLU A 16 7.021 -3.262 -9.383 1.00 31.13 N ATOM 269 CA GLU A 16 8.442 -3.393 -9.755 1.00 15.20 C ATOM 270 C GLU A 16 9.241 -4.242 -8.755 1.00 34.05 C ATOM 271 O GLU A 16 10.164 -4.963 -9.152 1.00 24.34 O ATOM 272 CB GLU A 16 9.090 -2.000 -9.923 1.00 30.00 C ATOM 273 CG GLU A 16 8.469 -1.134 -11.035 1.00 34.54 C ATOM 274 CD GLU A 16 8.406 -1.846 -12.397 1.00 61.23 C ATOM 275 OE1 GLU A 16 9.482 -2.089 -13.000 1.00 51.32 O ATOM 276 OE2 GLU A 16 7.288 -2.158 -12.878 1.00 43.25 O ATOM 0 H GLU A 16 6.783 -2.378 -8.932 1.00 31.13 H new ATOM 0 HA GLU A 16 8.471 -3.918 -10.710 1.00 15.20 H new ATOM 0 HB2 GLU A 16 9.015 -1.463 -8.978 1.00 30.00 H new ATOM 0 HB3 GLU A 16 10.152 -2.131 -10.132 1.00 30.00 H new ATOM 0 HG2 GLU A 16 7.462 -0.842 -10.739 1.00 34.54 H new ATOM 0 HG3 GLU A 16 9.049 -0.217 -11.139 1.00 34.54 H new ATOM 283 N ASP A 17 8.904 -4.140 -7.465 1.00 11.25 N ATOM 284 CA ASP A 17 9.615 -4.870 -6.391 1.00 13.34 C ATOM 285 C ASP A 17 8.867 -6.155 -6.021 1.00 42.42 C ATOM 286 O ASP A 17 9.410 -7.254 -6.158 1.00 2.35 O ATOM 287 CB ASP A 17 9.790 -3.958 -5.148 1.00 52.14 C ATOM 288 CG ASP A 17 10.613 -4.614 -4.029 1.00 74.03 C ATOM 289 OD1 ASP A 17 11.859 -4.609 -4.119 1.00 42.34 O ATOM 290 OD2 ASP A 17 10.028 -5.143 -3.059 1.00 13.34 O ATOM 0 H ASP A 17 8.138 -3.556 -7.130 1.00 11.25 H new ATOM 0 HA ASP A 17 10.603 -5.150 -6.757 1.00 13.34 H new ATOM 0 HB2 ASP A 17 10.275 -3.030 -5.451 1.00 52.14 H new ATOM 0 HB3 ASP A 17 8.807 -3.692 -4.759 1.00 52.14 H new ATOM 295 N LEU A 18 7.605 -6.002 -5.583 1.00 63.33 N ATOM 296 CA LEU A 18 6.812 -7.107 -5.001 1.00 13.52 C ATOM 297 C LEU A 18 6.412 -8.157 -6.067 1.00 44.02 C ATOM 298 O LEU A 18 6.449 -9.360 -5.793 1.00 71.01 O ATOM 299 CB LEU A 18 5.564 -6.563 -4.246 1.00 31.40 C ATOM 300 CG LEU A 18 5.820 -5.789 -2.905 1.00 53.13 C ATOM 301 CD1 LEU A 18 6.622 -4.479 -3.095 1.00 45.52 C ATOM 302 CD2 LEU A 18 4.484 -5.487 -2.201 1.00 51.03 C ATOM 0 H LEU A 18 7.105 -5.114 -5.621 1.00 63.33 H new ATOM 0 HA LEU A 18 7.448 -7.615 -4.276 1.00 13.52 H new ATOM 0 HB2 LEU A 18 5.023 -5.900 -4.921 1.00 31.40 H new ATOM 0 HB3 LEU A 18 4.906 -7.405 -4.030 1.00 31.40 H new ATOM 0 HG LEU A 18 6.431 -6.444 -2.285 1.00 53.13 H new ATOM 0 HD11 LEU A 18 6.763 -3.995 -2.128 1.00 45.52 H new ATOM 0 HD12 LEU A 18 7.594 -4.708 -3.531 1.00 45.52 H new ATOM 0 HD13 LEU A 18 6.074 -3.810 -3.759 1.00 45.52 H new ATOM 0 HD21 LEU A 18 4.676 -4.950 -1.272 1.00 51.03 H new ATOM 0 HD22 LEU A 18 3.860 -4.875 -2.852 1.00 51.03 H new ATOM 0 HD23 LEU A 18 3.970 -6.422 -1.980 1.00 51.03 H new ATOM 314 N ILE A 19 6.024 -7.702 -7.272 1.00 34.42 N ATOM 315 CA ILE A 19 5.776 -8.608 -8.417 1.00 35.11 C ATOM 316 C ILE A 19 7.131 -8.913 -9.078 1.00 70.23 C ATOM 317 O ILE A 19 7.524 -10.077 -9.226 1.00 64.30 O ATOM 318 CB ILE A 19 4.760 -8.018 -9.487 1.00 21.23 C ATOM 319 CG1 ILE A 19 3.287 -7.956 -8.971 1.00 23.34 C ATOM 320 CG2 ILE A 19 4.788 -8.842 -10.798 1.00 3.24 C ATOM 321 CD1 ILE A 19 3.024 -7.101 -7.762 1.00 60.33 C ATOM 0 H ILE A 19 5.875 -6.715 -7.482 1.00 34.42 H new ATOM 0 HA ILE A 19 5.304 -9.514 -8.036 1.00 35.11 H new ATOM 0 HB ILE A 19 5.097 -6.998 -9.673 1.00 21.23 H new ATOM 0 HG12 ILE A 19 2.658 -7.595 -9.785 1.00 23.34 H new ATOM 0 HG13 ILE A 19 2.964 -8.972 -8.744 1.00 23.34 H new ATOM 0 HG21 ILE A 19 4.083 -8.415 -11.511 1.00 3.24 H new ATOM 0 HG22 ILE A 19 5.792 -8.818 -11.222 1.00 3.24 H new ATOM 0 HG23 ILE A 19 4.509 -9.874 -10.585 1.00 3.24 H new ATOM 0 HD11 ILE A 19 1.965 -7.145 -7.509 1.00 60.33 H new ATOM 0 HD12 ILE A 19 3.614 -7.468 -6.922 1.00 60.33 H new ATOM 0 HD13 ILE A 19 3.303 -6.070 -7.978 1.00 60.33 H new ATOM 333 N GLY A 20 7.854 -7.840 -9.431 1.00 0.32 N ATOM 334 CA GLY A 20 9.168 -7.931 -10.090 1.00 63.12 C ATOM 335 C GLY A 20 9.138 -7.380 -11.514 1.00 52.53 C ATOM 336 O GLY A 20 8.246 -6.590 -11.849 1.00 75.01 O ATOM 0 H GLY A 20 7.544 -6.882 -9.268 1.00 0.32 H new ATOM 0 HA2 GLY A 20 9.905 -7.381 -9.505 1.00 63.12 H new ATOM 0 HA3 GLY A 20 9.491 -8.972 -10.112 1.00 63.12 H new ATOM 340 N PRO A 21 10.118 -7.778 -12.390 1.00 55.23 N ATOM 341 CA PRO A 21 10.148 -7.358 -13.818 1.00 34.13 C ATOM 342 C PRO A 21 9.043 -8.024 -14.677 1.00 32.03 C ATOM 343 O PRO A 21 8.875 -7.700 -15.857 1.00 1.53 O ATOM 344 CB PRO A 21 11.571 -7.769 -14.268 1.00 62.53 C ATOM 345 CG PRO A 21 11.923 -8.930 -13.400 1.00 61.20 C ATOM 346 CD PRO A 21 11.296 -8.633 -12.055 1.00 0.11 C ATOM 0 HA PRO A 21 9.945 -6.294 -13.942 1.00 34.13 H new ATOM 0 HB2 PRO A 21 11.589 -8.044 -15.323 1.00 62.53 H new ATOM 0 HB3 PRO A 21 12.279 -6.950 -14.140 1.00 62.53 H new ATOM 0 HG2 PRO A 21 11.538 -9.862 -13.815 1.00 61.20 H new ATOM 0 HG3 PRO A 21 13.004 -9.042 -13.313 1.00 61.20 H new ATOM 0 HD2 PRO A 21 10.994 -9.547 -11.544 1.00 0.11 H new ATOM 0 HD3 PRO A 21 11.992 -8.114 -11.395 1.00 0.11 H new ATOM 354 N SER A 22 8.274 -8.942 -14.068 1.00 60.21 N ATOM 355 CA SER A 22 7.112 -9.590 -14.715 1.00 52.21 C ATOM 356 C SER A 22 5.812 -8.816 -14.388 1.00 13.04 C ATOM 357 O SER A 22 4.708 -9.385 -14.446 1.00 55.23 O ATOM 358 CB SER A 22 7.019 -11.056 -14.237 1.00 20.52 C ATOM 359 OG SER A 22 8.241 -11.733 -14.446 1.00 41.43 O ATOM 0 H SER A 22 8.438 -9.259 -13.112 1.00 60.21 H new ATOM 0 HA SER A 22 7.241 -9.578 -15.797 1.00 52.21 H new ATOM 0 HB2 SER A 22 6.761 -11.082 -13.178 1.00 20.52 H new ATOM 0 HB3 SER A 22 6.219 -11.567 -14.773 1.00 20.52 H new ATOM 0 HG SER A 22 8.160 -12.659 -14.135 1.00 41.43 H new ATOM 365 N ALA A 23 5.960 -7.522 -14.036 1.00 30.22 N ATOM 366 CA ALA A 23 4.842 -6.631 -13.689 1.00 73.32 C ATOM 367 C ALA A 23 3.831 -6.510 -14.845 1.00 41.31 C ATOM 368 O ALA A 23 4.163 -5.992 -15.918 1.00 12.01 O ATOM 369 CB ALA A 23 5.372 -5.258 -13.282 1.00 31.33 C ATOM 0 H ALA A 23 6.870 -7.065 -13.985 1.00 30.22 H new ATOM 0 HA ALA A 23 4.312 -7.068 -12.843 1.00 73.32 H new ATOM 0 HB1 ALA A 23 4.536 -4.606 -13.027 1.00 31.33 H new ATOM 0 HB2 ALA A 23 6.027 -5.363 -12.417 1.00 31.33 H new ATOM 0 HB3 ALA A 23 5.931 -4.824 -14.111 1.00 31.33 H new ATOM 375 N LYS A 24 2.599 -6.985 -14.607 1.00 64.52 N ATOM 376 CA LYS A 24 1.537 -7.036 -15.610 1.00 64.01 C ATOM 377 C LYS A 24 0.550 -5.894 -15.386 1.00 14.34 C ATOM 378 O LYS A 24 -0.128 -5.851 -14.362 1.00 62.43 O ATOM 379 CB LYS A 24 0.819 -8.402 -15.532 1.00 54.52 C ATOM 380 CG LYS A 24 1.680 -9.594 -16.003 1.00 12.43 C ATOM 381 CD LYS A 24 1.106 -10.966 -15.595 1.00 44.11 C ATOM 382 CE LYS A 24 1.398 -11.332 -14.124 1.00 50.22 C ATOM 383 NZ LYS A 24 0.714 -10.455 -13.142 1.00 11.52 N ATOM 0 H LYS A 24 2.314 -7.348 -13.698 1.00 64.52 H new ATOM 0 HA LYS A 24 1.970 -6.923 -16.604 1.00 64.01 H new ATOM 0 HB2 LYS A 24 0.506 -8.578 -14.503 1.00 54.52 H new ATOM 0 HB3 LYS A 24 -0.086 -8.360 -16.138 1.00 54.52 H new ATOM 0 HG2 LYS A 24 1.775 -9.557 -17.088 1.00 12.43 H new ATOM 0 HG3 LYS A 24 2.684 -9.492 -15.591 1.00 12.43 H new ATOM 0 HD2 LYS A 24 0.028 -10.964 -15.755 1.00 44.11 H new ATOM 0 HD3 LYS A 24 1.524 -11.735 -16.244 1.00 44.11 H new ATOM 0 HE2 LYS A 24 1.094 -12.364 -13.949 1.00 50.22 H new ATOM 0 HE3 LYS A 24 2.473 -11.283 -13.954 1.00 50.22 H new ATOM 0 HZ1 LYS A 24 0.577 -10.973 -12.251 1.00 11.52 H new ATOM 0 HZ2 LYS A 24 1.296 -9.611 -12.966 1.00 11.52 H new ATOM 0 HZ3 LYS A 24 -0.211 -10.166 -13.520 1.00 11.52 H new ATOM 397 N GLU A 25 0.511 -4.953 -16.339 1.00 52.42 N ATOM 398 CA GLU A 25 -0.553 -3.917 -16.461 1.00 14.44 C ATOM 399 C GLU A 25 -1.971 -4.504 -16.246 1.00 43.51 C ATOM 400 O GLU A 25 -2.873 -3.816 -15.750 1.00 73.45 O ATOM 401 CB GLU A 25 -0.476 -3.282 -17.875 1.00 22.53 C ATOM 402 CG GLU A 25 -0.486 -4.325 -19.009 1.00 73.02 C ATOM 403 CD GLU A 25 -0.444 -3.704 -20.414 1.00 42.53 C ATOM 404 OE1 GLU A 25 -1.516 -3.364 -20.963 1.00 74.35 O ATOM 405 OE2 GLU A 25 0.663 -3.541 -20.978 1.00 32.44 O ATOM 0 H GLU A 25 1.224 -4.879 -17.064 1.00 52.42 H new ATOM 0 HA GLU A 25 -0.383 -3.170 -15.685 1.00 14.44 H new ATOM 0 HB2 GLU A 25 -1.318 -2.602 -18.008 1.00 22.53 H new ATOM 0 HB3 GLU A 25 0.432 -2.683 -17.949 1.00 22.53 H new ATOM 0 HG2 GLU A 25 0.370 -4.989 -18.888 1.00 73.02 H new ATOM 0 HG3 GLU A 25 -1.382 -4.940 -18.919 1.00 73.02 H new ATOM 412 N ASP A 26 -2.125 -5.784 -16.638 1.00 61.32 N ATOM 413 CA ASP A 26 -3.371 -6.553 -16.564 1.00 72.23 C ATOM 414 C ASP A 26 -3.981 -6.521 -15.156 1.00 5.30 C ATOM 415 O ASP A 26 -5.202 -6.441 -15.001 1.00 4.43 O ATOM 416 CB ASP A 26 -3.100 -8.026 -16.972 1.00 4.22 C ATOM 417 CG ASP A 26 -2.482 -8.194 -18.368 1.00 52.14 C ATOM 418 OD1 ASP A 26 -1.287 -7.866 -18.534 1.00 24.03 O ATOM 419 OD2 ASP A 26 -3.173 -8.674 -19.297 1.00 21.01 O ATOM 0 H ASP A 26 -1.354 -6.325 -17.028 1.00 61.32 H new ATOM 0 HA ASP A 26 -4.083 -6.095 -17.250 1.00 72.23 H new ATOM 0 HB2 ASP A 26 -2.434 -8.477 -16.236 1.00 4.22 H new ATOM 0 HB3 ASP A 26 -4.038 -8.579 -16.934 1.00 4.22 H new ATOM 424 N GLU A 27 -3.110 -6.585 -14.132 1.00 33.51 N ATOM 425 CA GLU A 27 -3.545 -6.609 -12.720 1.00 42.31 C ATOM 426 C GLU A 27 -3.642 -5.185 -12.142 1.00 54.05 C ATOM 427 O GLU A 27 -4.356 -4.955 -11.164 1.00 64.14 O ATOM 428 CB GLU A 27 -2.574 -7.473 -11.870 1.00 62.15 C ATOM 429 CG GLU A 27 -1.211 -6.827 -11.548 1.00 61.11 C ATOM 430 CD GLU A 27 -0.120 -7.841 -11.159 1.00 12.15 C ATOM 431 OE1 GLU A 27 -0.274 -8.530 -10.124 1.00 24.43 O ATOM 432 OE2 GLU A 27 0.868 -7.991 -11.919 1.00 35.40 O ATOM 0 H GLU A 27 -2.098 -6.621 -14.255 1.00 33.51 H new ATOM 0 HA GLU A 27 -4.539 -7.055 -12.682 1.00 42.31 H new ATOM 0 HB2 GLU A 27 -3.067 -7.724 -10.931 1.00 62.15 H new ATOM 0 HB3 GLU A 27 -2.396 -8.411 -12.397 1.00 62.15 H new ATOM 0 HG2 GLU A 27 -0.874 -6.260 -12.416 1.00 61.11 H new ATOM 0 HG3 GLU A 27 -1.340 -6.115 -10.732 1.00 61.11 H new ATOM 439 N LEU A 28 -2.917 -4.227 -12.753 1.00 41.40 N ATOM 440 CA LEU A 28 -2.709 -2.906 -12.163 1.00 13.13 C ATOM 441 C LEU A 28 -3.882 -1.950 -12.471 1.00 12.05 C ATOM 442 O LEU A 28 -4.236 -1.709 -13.625 1.00 35.32 O ATOM 443 CB LEU A 28 -1.334 -2.318 -12.608 1.00 50.33 C ATOM 444 CG LEU A 28 -0.697 -1.241 -11.650 1.00 0.54 C ATOM 445 CD1 LEU A 28 -1.360 0.155 -11.758 1.00 45.00 C ATOM 446 CD2 LEU A 28 -0.721 -1.726 -10.174 1.00 64.30 C ATOM 0 H LEU A 28 -2.467 -4.353 -13.660 1.00 41.40 H new ATOM 0 HA LEU A 28 -2.684 -3.018 -11.079 1.00 13.13 H new ATOM 0 HB2 LEU A 28 -0.628 -3.141 -12.716 1.00 50.33 H new ATOM 0 HB3 LEU A 28 -1.455 -1.871 -13.594 1.00 50.33 H new ATOM 0 HG LEU A 28 0.335 -1.126 -11.982 1.00 0.54 H new ATOM 0 HD11 LEU A 28 -0.870 0.845 -11.070 1.00 45.00 H new ATOM 0 HD12 LEU A 28 -1.260 0.527 -12.778 1.00 45.00 H new ATOM 0 HD13 LEU A 28 -2.417 0.077 -11.502 1.00 45.00 H new ATOM 0 HD21 LEU A 28 -0.276 -0.965 -9.534 1.00 64.30 H new ATOM 0 HD22 LEU A 28 -1.752 -1.902 -9.866 1.00 64.30 H new ATOM 0 HD23 LEU A 28 -0.153 -2.652 -10.086 1.00 64.30 H new ATOM 458 N ASP A 29 -4.486 -1.461 -11.385 1.00 45.23 N ATOM 459 CA ASP A 29 -5.444 -0.341 -11.368 1.00 73.21 C ATOM 460 C ASP A 29 -5.415 0.233 -9.961 1.00 35.32 C ATOM 461 O ASP A 29 -4.979 -0.459 -9.029 1.00 10.12 O ATOM 462 CB ASP A 29 -6.881 -0.801 -11.707 1.00 60.33 C ATOM 463 CG ASP A 29 -7.884 0.350 -11.886 1.00 41.23 C ATOM 464 OD1 ASP A 29 -7.770 1.086 -12.881 1.00 50.42 O ATOM 465 OD2 ASP A 29 -8.775 0.536 -11.026 1.00 65.01 O ATOM 0 H ASP A 29 -4.318 -1.846 -10.455 1.00 45.23 H new ATOM 0 HA ASP A 29 -5.162 0.395 -12.121 1.00 73.21 H new ATOM 0 HB2 ASP A 29 -6.855 -1.391 -12.623 1.00 60.33 H new ATOM 0 HB3 ASP A 29 -7.237 -1.458 -10.914 1.00 60.33 H new ATOM 470 N ASP A 30 -5.899 1.467 -9.791 1.00 32.41 N ATOM 471 CA ASP A 30 -5.876 2.129 -8.477 1.00 31.00 C ATOM 472 C ASP A 30 -6.932 1.518 -7.551 1.00 72.03 C ATOM 473 O ASP A 30 -6.730 1.438 -6.337 1.00 50.20 O ATOM 474 CB ASP A 30 -6.040 3.668 -8.599 1.00 30.34 C ATOM 475 CG ASP A 30 -7.478 4.150 -8.871 1.00 31.51 C ATOM 476 OD1 ASP A 30 -7.944 4.046 -10.025 1.00 50.55 O ATOM 477 OD2 ASP A 30 -8.150 4.633 -7.927 1.00 15.24 O ATOM 0 H ASP A 30 -6.309 2.027 -10.539 1.00 32.41 H new ATOM 0 HA ASP A 30 -4.895 1.957 -8.033 1.00 31.00 H new ATOM 0 HB2 ASP A 30 -5.686 4.130 -7.677 1.00 30.34 H new ATOM 0 HB3 ASP A 30 -5.395 4.024 -9.402 1.00 30.34 H new ATOM 482 N GLN A 31 -8.036 1.049 -8.127 1.00 30.24 N ATOM 483 CA GLN A 31 -9.123 0.413 -7.373 1.00 71.12 C ATOM 484 C GLN A 31 -8.992 -1.124 -7.350 1.00 34.43 C ATOM 485 O GLN A 31 -9.849 -1.791 -6.751 1.00 62.25 O ATOM 486 CB GLN A 31 -10.484 0.832 -7.976 1.00 33.12 C ATOM 487 CG GLN A 31 -10.780 2.343 -7.941 1.00 15.22 C ATOM 488 CD GLN A 31 -12.145 2.698 -8.541 1.00 51.15 C ATOM 489 OE1 GLN A 31 -13.159 2.722 -7.837 1.00 64.40 O ATOM 490 NE2 GLN A 31 -12.191 2.946 -9.845 1.00 1.51 N ATOM 0 H GLN A 31 -8.206 1.097 -9.132 1.00 30.24 H new ATOM 0 HA GLN A 31 -9.059 0.753 -6.339 1.00 71.12 H new ATOM 0 HB2 GLN A 31 -10.524 0.494 -9.012 1.00 33.12 H new ATOM 0 HB3 GLN A 31 -11.277 0.310 -7.440 1.00 33.12 H new ATOM 0 HG2 GLN A 31 -10.741 2.692 -6.909 1.00 15.22 H new ATOM 0 HG3 GLN A 31 -10.000 2.874 -8.487 1.00 15.22 H new ATOM 0 HE21 GLN A 31 -11.336 2.919 -10.400 1.00 1.51 H new ATOM 0 HE22 GLN A 31 -13.082 3.164 -10.292 1.00 1.51 H new ATOM 499 N THR A 32 -7.942 -1.695 -8.006 1.00 11.14 N ATOM 500 CA THR A 32 -7.700 -3.151 -7.973 1.00 25.41 C ATOM 501 C THR A 32 -7.423 -3.636 -6.528 1.00 45.00 C ATOM 502 O THR A 32 -6.412 -3.241 -5.924 1.00 32.30 O ATOM 503 CB THR A 32 -6.531 -3.629 -8.886 1.00 32.23 C ATOM 504 OG1 THR A 32 -6.886 -3.496 -10.265 1.00 74.34 O ATOM 505 CG2 THR A 32 -6.138 -5.100 -8.602 1.00 34.13 C ATOM 0 H THR A 32 -7.262 -1.169 -8.555 1.00 11.14 H new ATOM 0 HA THR A 32 -8.618 -3.591 -8.363 1.00 25.41 H new ATOM 0 HB THR A 32 -5.673 -2.995 -8.661 1.00 32.23 H new ATOM 0 HG1 THR A 32 -6.193 -3.908 -10.822 1.00 74.34 H new ATOM 0 HG21 THR A 32 -5.320 -5.392 -9.260 1.00 34.13 H new ATOM 0 HG22 THR A 32 -5.821 -5.198 -7.564 1.00 34.13 H new ATOM 0 HG23 THR A 32 -6.997 -5.747 -8.782 1.00 34.13 H new ATOM 513 N PRO A 33 -8.304 -4.517 -5.975 1.00 75.11 N ATOM 514 CA PRO A 33 -8.116 -5.100 -4.641 1.00 51.51 C ATOM 515 C PRO A 33 -6.992 -6.160 -4.647 1.00 10.25 C ATOM 516 O PRO A 33 -7.141 -7.265 -5.168 1.00 51.21 O ATOM 517 CB PRO A 33 -9.495 -5.699 -4.324 1.00 15.21 C ATOM 518 CG PRO A 33 -10.116 -5.999 -5.654 1.00 12.20 C ATOM 519 CD PRO A 33 -9.557 -4.997 -6.622 1.00 63.20 C ATOM 0 HA PRO A 33 -7.799 -4.377 -3.889 1.00 51.51 H new ATOM 0 HB2 PRO A 33 -9.401 -6.603 -3.722 1.00 15.21 H new ATOM 0 HB3 PRO A 33 -10.106 -4.998 -3.755 1.00 15.21 H new ATOM 0 HG2 PRO A 33 -9.883 -7.016 -5.970 1.00 12.20 H new ATOM 0 HG3 PRO A 33 -11.202 -5.923 -5.601 1.00 12.20 H new ATOM 0 HD2 PRO A 33 -9.355 -5.451 -7.592 1.00 63.20 H new ATOM 0 HD3 PRO A 33 -10.255 -4.178 -6.793 1.00 63.20 H new ATOM 527 N LEU A 34 -5.869 -5.780 -4.058 1.00 11.24 N ATOM 528 CA LEU A 34 -4.641 -6.573 -4.003 1.00 41.41 C ATOM 529 C LEU A 34 -4.846 -7.938 -3.315 1.00 23.41 C ATOM 530 O LEU A 34 -4.390 -8.961 -3.829 1.00 61.13 O ATOM 531 CB LEU A 34 -3.579 -5.751 -3.264 1.00 73.31 C ATOM 532 CG LEU A 34 -3.259 -4.358 -3.872 1.00 22.12 C ATOM 533 CD1 LEU A 34 -2.442 -3.495 -2.893 1.00 0.41 C ATOM 534 CD2 LEU A 34 -2.528 -4.489 -5.234 1.00 61.24 C ATOM 0 H LEU A 34 -5.780 -4.880 -3.587 1.00 11.24 H new ATOM 0 HA LEU A 34 -4.321 -6.794 -5.021 1.00 41.41 H new ATOM 0 HB2 LEU A 34 -3.907 -5.610 -2.234 1.00 73.31 H new ATOM 0 HB3 LEU A 34 -2.657 -6.331 -3.228 1.00 73.31 H new ATOM 0 HG LEU A 34 -4.210 -3.855 -4.050 1.00 22.12 H new ATOM 0 HD11 LEU A 34 -2.234 -2.527 -3.348 1.00 0.41 H new ATOM 0 HD12 LEU A 34 -3.010 -3.350 -1.974 1.00 0.41 H new ATOM 0 HD13 LEU A 34 -1.502 -3.997 -2.663 1.00 0.41 H new ATOM 0 HD21 LEU A 34 -2.319 -3.496 -5.632 1.00 61.24 H new ATOM 0 HD22 LEU A 34 -1.591 -5.028 -5.094 1.00 61.24 H new ATOM 0 HD23 LEU A 34 -3.159 -5.035 -5.935 1.00 61.24 H new ATOM 546 N LEU A 35 -5.526 -7.948 -2.151 1.00 61.03 N ATOM 547 CA LEU A 35 -5.816 -9.205 -1.411 1.00 72.31 C ATOM 548 C LEU A 35 -6.699 -10.138 -2.240 1.00 14.23 C ATOM 549 O LEU A 35 -6.470 -11.347 -2.280 1.00 75.53 O ATOM 550 CB LEU A 35 -6.495 -8.948 -0.037 1.00 22.03 C ATOM 551 CG LEU A 35 -5.583 -8.399 1.105 1.00 53.41 C ATOM 552 CD1 LEU A 35 -4.360 -9.322 1.380 1.00 73.01 C ATOM 553 CD2 LEU A 35 -5.148 -6.952 0.835 1.00 13.13 C ATOM 0 H LEU A 35 -5.886 -7.107 -1.700 1.00 61.03 H new ATOM 0 HA LEU A 35 -4.851 -9.677 -1.228 1.00 72.31 H new ATOM 0 HB2 LEU A 35 -7.312 -8.243 -0.188 1.00 22.03 H new ATOM 0 HB3 LEU A 35 -6.940 -9.883 0.303 1.00 22.03 H new ATOM 0 HG LEU A 35 -6.186 -8.397 2.013 1.00 53.41 H new ATOM 0 HD11 LEU A 35 -3.757 -8.897 2.182 1.00 73.01 H new ATOM 0 HD12 LEU A 35 -4.710 -10.312 1.674 1.00 73.01 H new ATOM 0 HD13 LEU A 35 -3.756 -9.405 0.476 1.00 73.01 H new ATOM 0 HD21 LEU A 35 -4.515 -6.604 1.651 1.00 13.13 H new ATOM 0 HD22 LEU A 35 -4.591 -6.908 -0.101 1.00 13.13 H new ATOM 0 HD23 LEU A 35 -6.029 -6.315 0.763 1.00 13.13 H new ATOM 565 N GLU A 36 -7.693 -9.552 -2.908 1.00 64.02 N ATOM 566 CA GLU A 36 -8.684 -10.314 -3.689 1.00 13.31 C ATOM 567 C GLU A 36 -8.075 -10.864 -4.980 1.00 63.11 C ATOM 568 O GLU A 36 -8.571 -11.846 -5.531 1.00 3.21 O ATOM 569 CB GLU A 36 -9.897 -9.429 -4.007 1.00 64.11 C ATOM 570 CG GLU A 36 -10.530 -8.753 -2.775 1.00 11.25 C ATOM 571 CD GLU A 36 -10.968 -9.734 -1.678 1.00 50.32 C ATOM 572 OE1 GLU A 36 -12.024 -10.386 -1.851 1.00 54.55 O ATOM 573 OE2 GLU A 36 -10.271 -9.847 -0.643 1.00 10.10 O ATOM 0 H GLU A 36 -7.839 -8.543 -2.927 1.00 64.02 H new ATOM 0 HA GLU A 36 -9.008 -11.163 -3.086 1.00 13.31 H new ATOM 0 HB2 GLU A 36 -9.593 -8.657 -4.714 1.00 64.11 H new ATOM 0 HB3 GLU A 36 -10.655 -10.036 -4.503 1.00 64.11 H new ATOM 0 HG2 GLU A 36 -9.814 -8.048 -2.352 1.00 11.25 H new ATOM 0 HG3 GLU A 36 -11.396 -8.174 -3.096 1.00 11.25 H new ATOM 580 N TRP A 37 -7.002 -10.217 -5.463 1.00 50.50 N ATOM 581 CA TRP A 37 -6.274 -10.680 -6.668 1.00 63.44 C ATOM 582 C TRP A 37 -5.062 -11.543 -6.278 1.00 43.34 C ATOM 583 O TRP A 37 -4.398 -12.107 -7.147 1.00 42.01 O ATOM 584 CB TRP A 37 -5.865 -9.471 -7.540 1.00 42.45 C ATOM 585 CG TRP A 37 -7.024 -8.834 -8.286 1.00 2.55 C ATOM 586 CD1 TRP A 37 -8.212 -8.395 -7.767 1.00 21.24 C ATOM 587 CD2 TRP A 37 -7.092 -8.569 -9.696 1.00 50.25 C ATOM 588 NE1 TRP A 37 -9.003 -7.879 -8.752 1.00 65.32 N ATOM 589 CE2 TRP A 37 -8.340 -7.969 -9.949 1.00 20.41 C ATOM 590 CE3 TRP A 37 -6.218 -8.787 -10.762 1.00 25.14 C ATOM 591 CZ2 TRP A 37 -8.733 -7.587 -11.229 1.00 35.45 C ATOM 592 CZ3 TRP A 37 -6.608 -8.398 -12.031 1.00 11.00 C ATOM 593 CH2 TRP A 37 -7.853 -7.801 -12.254 1.00 64.34 C ATOM 0 H TRP A 37 -6.615 -9.372 -5.042 1.00 50.50 H new ATOM 0 HA TRP A 37 -6.937 -11.310 -7.261 1.00 63.44 H new ATOM 0 HB2 TRP A 37 -5.396 -8.719 -6.905 1.00 42.45 H new ATOM 0 HB3 TRP A 37 -5.114 -9.793 -8.261 1.00 42.45 H new ATOM 0 HD1 TRP A 37 -8.485 -8.449 -6.724 1.00 21.24 H new ATOM 0 HE1 TRP A 37 -9.936 -7.489 -8.619 1.00 65.32 H new ATOM 0 HE3 TRP A 37 -5.256 -9.250 -10.599 1.00 25.14 H new ATOM 0 HZ2 TRP A 37 -9.699 -7.137 -11.406 1.00 35.45 H new ATOM 0 HZ3 TRP A 37 -5.939 -8.558 -12.864 1.00 11.00 H new ATOM 0 HH2 TRP A 37 -8.125 -7.503 -13.256 1.00 64.34 H new ATOM 604 N GLY A 38 -4.803 -11.664 -4.963 1.00 53.13 N ATOM 605 CA GLY A 38 -3.707 -12.494 -4.456 1.00 1.11 C ATOM 606 C GLY A 38 -2.331 -11.906 -4.750 1.00 50.00 C ATOM 607 O GLY A 38 -1.326 -12.625 -4.793 1.00 72.02 O ATOM 0 H GLY A 38 -5.342 -11.195 -4.235 1.00 53.13 H new ATOM 0 HA2 GLY A 38 -3.821 -12.618 -3.379 1.00 1.11 H new ATOM 0 HA3 GLY A 38 -3.775 -13.487 -4.900 1.00 1.11 H new ATOM 611 N ILE A 39 -2.303 -10.579 -4.946 1.00 51.42 N ATOM 612 CA ILE A 39 -1.088 -9.809 -5.225 1.00 63.43 C ATOM 613 C ILE A 39 -0.246 -9.690 -3.943 1.00 53.42 C ATOM 614 O ILE A 39 0.990 -9.636 -3.989 1.00 63.34 O ATOM 615 CB ILE A 39 -1.475 -8.388 -5.801 1.00 52.52 C ATOM 616 CG1 ILE A 39 -2.239 -8.543 -7.165 1.00 73.13 C ATOM 617 CG2 ILE A 39 -0.243 -7.464 -5.947 1.00 11.13 C ATOM 618 CD1 ILE A 39 -2.736 -7.247 -7.796 1.00 61.54 C ATOM 0 H ILE A 39 -3.144 -10.002 -4.914 1.00 51.42 H new ATOM 0 HA ILE A 39 -0.488 -10.322 -5.976 1.00 63.43 H new ATOM 0 HB ILE A 39 -2.141 -7.908 -5.083 1.00 52.52 H new ATOM 0 HG12 ILE A 39 -1.579 -9.042 -7.875 1.00 73.13 H new ATOM 0 HG13 ILE A 39 -3.094 -9.201 -7.009 1.00 73.13 H new ATOM 0 HG21 ILE A 39 -0.557 -6.499 -6.346 1.00 11.13 H new ATOM 0 HG22 ILE A 39 0.221 -7.320 -4.971 1.00 11.13 H new ATOM 0 HG23 ILE A 39 0.476 -7.921 -6.627 1.00 11.13 H new ATOM 0 HD11 ILE A 39 -3.248 -7.471 -8.732 1.00 61.54 H new ATOM 0 HD12 ILE A 39 -3.427 -6.752 -7.114 1.00 61.54 H new ATOM 0 HD13 ILE A 39 -1.889 -6.590 -7.994 1.00 61.54 H new ATOM 630 N LEU A 40 -0.939 -9.678 -2.796 1.00 42.23 N ATOM 631 CA LEU A 40 -0.299 -9.565 -1.481 1.00 63.45 C ATOM 632 C LEU A 40 -0.286 -10.897 -0.735 1.00 41.44 C ATOM 633 O LEU A 40 -1.277 -11.631 -0.709 1.00 33.00 O ATOM 634 CB LEU A 40 -1.009 -8.496 -0.624 1.00 33.42 C ATOM 635 CG LEU A 40 -1.044 -7.065 -1.229 1.00 13.33 C ATOM 636 CD1 LEU A 40 -1.703 -6.073 -0.256 1.00 63.12 C ATOM 637 CD2 LEU A 40 0.357 -6.584 -1.665 1.00 34.32 C ATOM 0 H LEU A 40 -1.956 -9.746 -2.755 1.00 42.23 H new ATOM 0 HA LEU A 40 0.735 -9.266 -1.653 1.00 63.45 H new ATOM 0 HB2 LEU A 40 -2.034 -8.821 -0.446 1.00 33.42 H new ATOM 0 HB3 LEU A 40 -0.516 -8.449 0.347 1.00 33.42 H new ATOM 0 HG LEU A 40 -1.655 -7.109 -2.131 1.00 13.33 H new ATOM 0 HD11 LEU A 40 -1.715 -5.079 -0.703 1.00 63.12 H new ATOM 0 HD12 LEU A 40 -2.725 -6.391 -0.049 1.00 63.12 H new ATOM 0 HD13 LEU A 40 -1.136 -6.046 0.675 1.00 63.12 H new ATOM 0 HD21 LEU A 40 0.283 -5.579 -2.082 1.00 34.32 H new ATOM 0 HD22 LEU A 40 1.022 -6.571 -0.802 1.00 34.32 H new ATOM 0 HD23 LEU A 40 0.756 -7.262 -2.420 1.00 34.32 H new ATOM 649 N ASN A 41 0.880 -11.178 -0.160 1.00 63.33 N ATOM 650 CA ASN A 41 1.094 -12.178 0.894 1.00 63.41 C ATOM 651 C ASN A 41 1.800 -11.432 2.035 1.00 61.34 C ATOM 652 O ASN A 41 2.361 -10.354 1.792 1.00 31.25 O ATOM 653 CB ASN A 41 1.976 -13.339 0.383 1.00 60.32 C ATOM 654 CG ASN A 41 1.365 -14.098 -0.798 1.00 71.11 C ATOM 655 OD1 ASN A 41 0.656 -15.086 -0.619 1.00 32.52 O ATOM 656 ND2 ASN A 41 1.619 -13.622 -2.008 1.00 34.52 N ATOM 0 H ASN A 41 1.740 -10.698 -0.423 1.00 63.33 H new ATOM 0 HA ASN A 41 0.152 -12.620 1.219 1.00 63.41 H new ATOM 0 HB2 ASN A 41 2.947 -12.943 0.086 1.00 60.32 H new ATOM 0 HB3 ASN A 41 2.153 -14.037 1.201 1.00 60.32 H new ATOM 0 HD21 ASN A 41 1.221 -14.078 -2.829 1.00 34.52 H new ATOM 0 HD22 ASN A 41 2.212 -12.800 -2.118 1.00 34.52 H new ATOM 663 N SER A 42 1.797 -11.989 3.263 1.00 33.25 N ATOM 664 CA SER A 42 2.338 -11.272 4.434 1.00 62.34 C ATOM 665 C SER A 42 3.837 -10.960 4.263 1.00 41.01 C ATOM 666 O SER A 42 4.307 -9.893 4.659 1.00 22.15 O ATOM 667 CB SER A 42 2.083 -12.077 5.697 1.00 52.21 C ATOM 668 OG SER A 42 2.888 -13.257 5.756 1.00 54.21 O ATOM 0 H SER A 42 1.432 -12.919 3.468 1.00 33.25 H new ATOM 0 HA SER A 42 1.822 -10.316 4.520 1.00 62.34 H new ATOM 0 HB2 SER A 42 2.287 -11.456 6.569 1.00 52.21 H new ATOM 0 HB3 SER A 42 1.030 -12.355 5.743 1.00 52.21 H new ATOM 673 N MET A 43 4.546 -11.882 3.617 1.00 41.23 N ATOM 674 CA MET A 43 5.983 -11.767 3.345 1.00 12.04 C ATOM 675 C MET A 43 6.315 -10.525 2.481 1.00 63.10 C ATOM 676 O MET A 43 7.304 -9.843 2.745 1.00 52.51 O ATOM 677 CB MET A 43 6.481 -13.078 2.693 1.00 30.14 C ATOM 678 CG MET A 43 5.710 -13.511 1.430 1.00 5.15 C ATOM 679 SD MET A 43 5.096 -15.215 1.531 1.00 32.21 S ATOM 680 CE MET A 43 3.928 -15.138 2.899 1.00 4.20 C ATOM 0 H MET A 43 4.135 -12.745 3.261 1.00 41.23 H new ATOM 0 HA MET A 43 6.509 -11.619 4.288 1.00 12.04 H new ATOM 0 HB2 MET A 43 7.534 -12.961 2.436 1.00 30.14 H new ATOM 0 HB3 MET A 43 6.420 -13.879 3.430 1.00 30.14 H new ATOM 0 HG2 MET A 43 4.869 -12.835 1.274 1.00 5.15 H new ATOM 0 HG3 MET A 43 6.362 -13.415 0.561 1.00 5.15 H new ATOM 0 HE1 MET A 43 3.241 -15.982 2.839 1.00 4.20 H new ATOM 0 HE2 MET A 43 4.471 -15.178 3.843 1.00 4.20 H new ATOM 0 HE3 MET A 43 3.364 -14.207 2.844 1.00 4.20 H new ATOM 690 N ASN A 44 5.479 -10.206 1.467 1.00 35.14 N ATOM 691 CA ASN A 44 5.675 -8.972 0.652 1.00 64.32 C ATOM 692 C ASN A 44 4.770 -7.818 1.130 1.00 3.45 C ATOM 693 O ASN A 44 4.861 -6.698 0.628 1.00 73.12 O ATOM 694 CB ASN A 44 5.546 -9.226 -0.879 1.00 63.13 C ATOM 695 CG ASN A 44 4.202 -9.792 -1.340 1.00 23.40 C ATOM 696 OD1 ASN A 44 3.613 -10.623 -0.661 1.00 53.11 O ATOM 697 ND2 ASN A 44 3.718 -9.343 -2.503 1.00 4.34 N ATOM 0 H ASN A 44 4.675 -10.770 1.192 1.00 35.14 H new ATOM 0 HA ASN A 44 6.707 -8.660 0.815 1.00 64.32 H new ATOM 0 HB2 ASN A 44 5.724 -8.286 -1.402 1.00 63.13 H new ATOM 0 HB3 ASN A 44 6.334 -9.914 -1.183 1.00 63.13 H new ATOM 0 HD21 ASN A 44 2.827 -9.694 -2.854 1.00 4.34 H new ATOM 0 HD22 ASN A 44 4.240 -8.650 -3.039 1.00 4.34 H new ATOM 704 N ILE A 45 3.959 -8.075 2.160 1.00 10.04 N ATOM 705 CA ILE A 45 3.131 -7.033 2.816 1.00 24.13 C ATOM 706 C ILE A 45 4.023 -6.170 3.734 1.00 12.11 C ATOM 707 O ILE A 45 3.735 -4.991 3.966 1.00 52.55 O ATOM 708 CB ILE A 45 1.899 -7.669 3.609 1.00 60.25 C ATOM 709 CG1 ILE A 45 0.534 -7.075 3.125 1.00 13.12 C ATOM 710 CG2 ILE A 45 2.025 -7.554 5.155 1.00 51.45 C ATOM 711 CD1 ILE A 45 -0.693 -7.741 3.731 1.00 72.34 C ATOM 0 H ILE A 45 3.851 -9.003 2.568 1.00 10.04 H new ATOM 0 HA ILE A 45 2.699 -6.392 2.047 1.00 24.13 H new ATOM 0 HB ILE A 45 1.924 -8.733 3.374 1.00 60.25 H new ATOM 0 HG12 ILE A 45 0.510 -6.012 3.363 1.00 13.12 H new ATOM 0 HG13 ILE A 45 0.479 -7.160 2.040 1.00 13.12 H new ATOM 0 HG21 ILE A 45 1.153 -8.007 5.626 1.00 51.45 H new ATOM 0 HG22 ILE A 45 2.926 -8.071 5.486 1.00 51.45 H new ATOM 0 HG23 ILE A 45 2.085 -6.503 5.438 1.00 51.45 H new ATOM 0 HD11 ILE A 45 -1.594 -7.268 3.341 1.00 72.34 H new ATOM 0 HD12 ILE A 45 -0.698 -8.800 3.471 1.00 72.34 H new ATOM 0 HD13 ILE A 45 -0.667 -7.634 4.815 1.00 72.34 H new ATOM 723 N VAL A 46 5.123 -6.784 4.230 1.00 54.12 N ATOM 724 CA VAL A 46 6.110 -6.114 5.095 1.00 3.52 C ATOM 725 C VAL A 46 6.850 -5.000 4.318 1.00 4.22 C ATOM 726 O VAL A 46 7.324 -4.015 4.901 1.00 30.44 O ATOM 727 CB VAL A 46 7.130 -7.147 5.698 1.00 24.21 C ATOM 728 CG1 VAL A 46 8.081 -6.467 6.700 1.00 4.13 C ATOM 729 CG2 VAL A 46 6.405 -8.335 6.379 1.00 12.44 C ATOM 0 H VAL A 46 5.347 -7.760 4.038 1.00 54.12 H new ATOM 0 HA VAL A 46 5.573 -5.654 5.924 1.00 3.52 H new ATOM 0 HB VAL A 46 7.717 -7.538 4.867 1.00 24.21 H new ATOM 0 HG11 VAL A 46 8.775 -7.205 7.101 1.00 4.13 H new ATOM 0 HG12 VAL A 46 8.640 -5.680 6.194 1.00 4.13 H new ATOM 0 HG13 VAL A 46 7.501 -6.034 7.515 1.00 4.13 H new ATOM 0 HG21 VAL A 46 7.143 -9.028 6.784 1.00 12.44 H new ATOM 0 HG22 VAL A 46 5.776 -7.962 7.187 1.00 12.44 H new ATOM 0 HG23 VAL A 46 5.786 -8.852 5.646 1.00 12.44 H new ATOM 739 N LYS A 47 6.891 -5.165 2.989 1.00 42.31 N ATOM 740 CA LYS A 47 7.484 -4.183 2.062 1.00 65.23 C ATOM 741 C LYS A 47 6.764 -2.831 2.179 1.00 73.43 C ATOM 742 O LYS A 47 7.409 -1.788 2.167 1.00 74.31 O ATOM 743 CB LYS A 47 7.455 -4.705 0.595 1.00 53.04 C ATOM 744 CG LYS A 47 8.589 -5.683 0.224 1.00 72.32 C ATOM 745 CD LYS A 47 8.647 -6.916 1.138 1.00 65.54 C ATOM 746 CE LYS A 47 9.748 -7.904 0.742 1.00 14.31 C ATOM 747 NZ LYS A 47 11.091 -7.276 0.705 1.00 11.04 N ATOM 0 H LYS A 47 6.512 -5.988 2.521 1.00 42.31 H new ATOM 0 HA LYS A 47 8.528 -4.041 2.341 1.00 65.23 H new ATOM 0 HB2 LYS A 47 6.499 -5.199 0.421 1.00 53.04 H new ATOM 0 HB3 LYS A 47 7.499 -3.850 -0.079 1.00 53.04 H new ATOM 0 HG2 LYS A 47 8.456 -6.009 -0.807 1.00 72.32 H new ATOM 0 HG3 LYS A 47 9.543 -5.158 0.272 1.00 72.32 H new ATOM 0 HD2 LYS A 47 8.810 -6.592 2.166 1.00 65.54 H new ATOM 0 HD3 LYS A 47 7.684 -7.425 1.113 1.00 65.54 H new ATOM 0 HE2 LYS A 47 9.758 -8.734 1.449 1.00 14.31 H new ATOM 0 HE3 LYS A 47 9.520 -8.323 -0.238 1.00 14.31 H new ATOM 0 HZ1 LYS A 47 11.813 -8.009 0.549 1.00 11.04 H new ATOM 0 HZ2 LYS A 47 11.129 -6.582 -0.069 1.00 11.04 H new ATOM 0 HZ3 LYS A 47 11.275 -6.796 1.609 1.00 11.04 H new ATOM 761 N LEU A 48 5.427 -2.870 2.323 1.00 50.11 N ATOM 762 CA LEU A 48 4.612 -1.648 2.504 1.00 51.00 C ATOM 763 C LEU A 48 4.887 -1.004 3.873 1.00 64.02 C ATOM 764 O LEU A 48 4.956 0.218 3.965 1.00 1.43 O ATOM 765 CB LEU A 48 3.091 -1.918 2.353 1.00 75.52 C ATOM 766 CG LEU A 48 2.568 -2.337 0.935 1.00 44.04 C ATOM 767 CD1 LEU A 48 3.018 -1.333 -0.166 1.00 41.22 C ATOM 768 CD2 LEU A 48 2.964 -3.788 0.576 1.00 45.02 C ATOM 0 H LEU A 48 4.885 -3.734 2.318 1.00 50.11 H new ATOM 0 HA LEU A 48 4.908 -0.961 1.711 1.00 51.00 H new ATOM 0 HB2 LEU A 48 2.817 -2.703 3.058 1.00 75.52 H new ATOM 0 HB3 LEU A 48 2.558 -1.017 2.656 1.00 75.52 H new ATOM 0 HG LEU A 48 1.479 -2.305 0.979 1.00 44.04 H new ATOM 0 HD11 LEU A 48 2.636 -1.659 -1.133 1.00 41.22 H new ATOM 0 HD12 LEU A 48 2.627 -0.342 0.064 1.00 41.22 H new ATOM 0 HD13 LEU A 48 4.107 -1.295 -0.200 1.00 41.22 H new ATOM 0 HD21 LEU A 48 2.581 -4.035 -0.414 1.00 45.02 H new ATOM 0 HD22 LEU A 48 4.050 -3.880 0.578 1.00 45.02 H new ATOM 0 HD23 LEU A 48 2.540 -4.473 1.310 1.00 45.02 H new ATOM 780 N MET A 49 5.060 -1.845 4.922 1.00 12.54 N ATOM 781 CA MET A 49 5.293 -1.369 6.313 1.00 23.25 C ATOM 782 C MET A 49 6.514 -0.434 6.355 1.00 23.41 C ATOM 783 O MET A 49 6.429 0.710 6.815 1.00 62.53 O ATOM 784 CB MET A 49 5.540 -2.551 7.302 1.00 64.02 C ATOM 785 CG MET A 49 4.476 -3.654 7.332 1.00 21.43 C ATOM 786 SD MET A 49 4.956 -4.988 8.464 1.00 42.51 S ATOM 787 CE MET A 49 3.845 -6.319 8.025 1.00 63.24 C ATOM 0 H MET A 49 5.043 -2.861 4.833 1.00 12.54 H new ATOM 0 HA MET A 49 4.393 -0.838 6.623 1.00 23.25 H new ATOM 0 HB2 MET A 49 6.498 -3.008 7.054 1.00 64.02 H new ATOM 0 HB3 MET A 49 5.634 -2.140 8.307 1.00 64.02 H new ATOM 0 HG2 MET A 49 3.520 -3.234 7.644 1.00 21.43 H new ATOM 0 HG3 MET A 49 4.335 -4.056 6.329 1.00 21.43 H new ATOM 0 HE1 MET A 49 4.238 -7.262 8.406 1.00 63.24 H new ATOM 0 HE2 MET A 49 2.864 -6.133 8.461 1.00 63.24 H new ATOM 0 HE3 MET A 49 3.755 -6.375 6.940 1.00 63.24 H new ATOM 797 N VAL A 50 7.639 -0.948 5.836 1.00 33.30 N ATOM 798 CA VAL A 50 8.928 -0.226 5.810 1.00 73.11 C ATOM 799 C VAL A 50 8.904 0.943 4.792 1.00 64.21 C ATOM 800 O VAL A 50 9.524 1.988 5.025 1.00 75.13 O ATOM 801 CB VAL A 50 10.124 -1.211 5.504 1.00 60.44 C ATOM 802 CG1 VAL A 50 9.909 -1.981 4.184 1.00 21.11 C ATOM 803 CG2 VAL A 50 11.494 -0.487 5.489 1.00 54.24 C ATOM 0 H VAL A 50 7.685 -1.878 5.420 1.00 33.30 H new ATOM 0 HA VAL A 50 9.083 0.200 6.801 1.00 73.11 H new ATOM 0 HB VAL A 50 10.139 -1.932 6.321 1.00 60.44 H new ATOM 0 HG11 VAL A 50 10.754 -2.648 4.010 1.00 21.11 H new ATOM 0 HG12 VAL A 50 8.992 -2.567 4.250 1.00 21.11 H new ATOM 0 HG13 VAL A 50 9.829 -1.273 3.359 1.00 21.11 H new ATOM 0 HG21 VAL A 50 12.284 -1.207 5.274 1.00 54.24 H new ATOM 0 HG22 VAL A 50 11.489 0.286 4.720 1.00 54.24 H new ATOM 0 HG23 VAL A 50 11.675 -0.030 6.462 1.00 54.24 H new ATOM 813 N TYR A 51 8.159 0.759 3.682 1.00 71.31 N ATOM 814 CA TYR A 51 8.077 1.756 2.588 1.00 43.12 C ATOM 815 C TYR A 51 7.463 3.055 3.103 1.00 14.03 C ATOM 816 O TYR A 51 8.084 4.097 3.065 1.00 23.43 O ATOM 817 CB TYR A 51 7.220 1.240 1.408 1.00 44.23 C ATOM 818 CG TYR A 51 7.322 2.121 0.144 1.00 24.23 C ATOM 819 CD1 TYR A 51 8.502 2.162 -0.604 1.00 40.43 C ATOM 820 CD2 TYR A 51 6.255 2.912 -0.289 1.00 33.31 C ATOM 821 CE1 TYR A 51 8.609 2.951 -1.736 1.00 11.14 C ATOM 822 CE2 TYR A 51 6.363 3.698 -1.420 1.00 64.43 C ATOM 823 CZ TYR A 51 7.536 3.716 -2.141 1.00 21.11 C ATOM 824 OH TYR A 51 7.638 4.508 -3.261 1.00 31.34 O ATOM 0 H TYR A 51 7.600 -0.078 3.517 1.00 71.31 H new ATOM 0 HA TYR A 51 9.093 1.931 2.235 1.00 43.12 H new ATOM 0 HB2 TYR A 51 7.530 0.225 1.160 1.00 44.23 H new ATOM 0 HB3 TYR A 51 6.177 1.187 1.722 1.00 44.23 H new ATOM 0 HD1 TYR A 51 9.347 1.566 -0.292 1.00 40.43 H new ATOM 0 HD2 TYR A 51 5.331 2.909 0.270 1.00 33.31 H new ATOM 0 HE1 TYR A 51 9.530 2.967 -2.300 1.00 11.14 H new ATOM 0 HE2 TYR A 51 5.525 4.300 -1.740 1.00 64.43 H new ATOM 0 HH TYR A 51 7.747 5.444 -2.991 1.00 31.34 H new ATOM 834 N ILE A 52 6.238 2.920 3.605 1.00 32.33 N ATOM 835 CA ILE A 52 5.387 4.030 4.073 1.00 60.32 C ATOM 836 C ILE A 52 6.049 4.777 5.247 1.00 74.41 C ATOM 837 O ILE A 52 5.920 6.003 5.382 1.00 63.10 O ATOM 838 CB ILE A 52 3.987 3.434 4.457 1.00 20.22 C ATOM 839 CG1 ILE A 52 3.334 2.794 3.181 1.00 24.01 C ATOM 840 CG2 ILE A 52 3.067 4.485 5.096 1.00 1.33 C ATOM 841 CD1 ILE A 52 2.173 1.865 3.446 1.00 32.23 C ATOM 0 H ILE A 52 5.789 2.010 3.704 1.00 32.33 H new ATOM 0 HA ILE A 52 5.256 4.771 3.284 1.00 60.32 H new ATOM 0 HB ILE A 52 4.132 2.661 5.212 1.00 20.22 H new ATOM 0 HG12 ILE A 52 2.994 3.596 2.526 1.00 24.01 H new ATOM 0 HG13 ILE A 52 4.102 2.243 2.638 1.00 24.01 H new ATOM 0 HG21 ILE A 52 2.110 4.027 5.345 1.00 1.33 H new ATOM 0 HG22 ILE A 52 3.531 4.872 6.003 1.00 1.33 H new ATOM 0 HG23 ILE A 52 2.906 5.303 4.394 1.00 1.33 H new ATOM 0 HD11 ILE A 52 1.794 1.477 2.500 1.00 32.23 H new ATOM 0 HD12 ILE A 52 2.505 1.036 4.071 1.00 32.23 H new ATOM 0 HD13 ILE A 52 1.380 2.410 3.958 1.00 32.23 H new ATOM 853 N ARG A 53 6.783 4.011 6.062 1.00 61.23 N ATOM 854 CA ARG A 53 7.622 4.545 7.149 1.00 45.14 C ATOM 855 C ARG A 53 8.744 5.460 6.595 1.00 41.03 C ATOM 856 O ARG A 53 9.028 6.517 7.163 1.00 2.53 O ATOM 857 CB ARG A 53 8.199 3.365 7.981 1.00 74.21 C ATOM 858 CG ARG A 53 9.136 3.765 9.144 1.00 2.41 C ATOM 859 CD ARG A 53 8.501 4.794 10.096 1.00 31.51 C ATOM 860 NE ARG A 53 9.316 5.056 11.290 1.00 74.03 N ATOM 861 CZ ARG A 53 8.861 5.614 12.416 1.00 2.30 C ATOM 862 NH1 ARG A 53 7.590 5.974 12.537 1.00 5.13 N ATOM 863 NH2 ARG A 53 9.705 5.822 13.420 1.00 32.51 N ATOM 0 H ARG A 53 6.814 2.994 5.988 1.00 61.23 H new ATOM 0 HA ARG A 53 7.009 5.165 7.803 1.00 45.14 H new ATOM 0 HB2 ARG A 53 7.367 2.790 8.389 1.00 74.21 H new ATOM 0 HB3 ARG A 53 8.745 2.703 7.309 1.00 74.21 H new ATOM 0 HG2 ARG A 53 9.407 2.873 9.709 1.00 2.41 H new ATOM 0 HG3 ARG A 53 10.059 4.176 8.736 1.00 2.41 H new ATOM 0 HD2 ARG A 53 8.344 5.729 9.558 1.00 31.51 H new ATOM 0 HD3 ARG A 53 7.519 4.436 10.405 1.00 31.51 H new ATOM 0 HE ARG A 53 10.301 4.793 11.257 1.00 74.03 H new ATOM 0 HH11 ARG A 53 6.942 5.826 11.763 1.00 5.13 H new ATOM 0 HH12 ARG A 53 7.260 6.398 13.404 1.00 5.13 H new ATOM 0 HH21 ARG A 53 10.685 5.557 13.325 1.00 32.51 H new ATOM 0 HH22 ARG A 53 9.373 6.247 14.286 1.00 32.51 H new ATOM 877 N ASP A 54 9.341 5.054 5.471 1.00 50.50 N ATOM 878 CA ASP A 54 10.480 5.768 4.836 1.00 53.40 C ATOM 879 C ASP A 54 9.980 6.850 3.842 1.00 21.23 C ATOM 880 O ASP A 54 10.685 7.813 3.547 1.00 71.10 O ATOM 881 CB ASP A 54 11.389 4.727 4.115 1.00 22.41 C ATOM 882 CG ASP A 54 12.769 5.276 3.716 1.00 11.15 C ATOM 883 OD1 ASP A 54 13.641 5.390 4.611 1.00 42.50 O ATOM 884 OD2 ASP A 54 12.998 5.595 2.524 1.00 53.44 O ATOM 0 H ASP A 54 9.055 4.217 4.964 1.00 50.50 H new ATOM 0 HA ASP A 54 11.056 6.282 5.606 1.00 53.40 H new ATOM 0 HB2 ASP A 54 11.527 3.865 4.768 1.00 22.41 H new ATOM 0 HB3 ASP A 54 10.878 4.371 3.221 1.00 22.41 H new ATOM 889 N GLU A 55 8.746 6.679 3.358 1.00 51.32 N ATOM 890 CA GLU A 55 8.159 7.500 2.278 1.00 71.23 C ATOM 891 C GLU A 55 7.386 8.692 2.853 1.00 5.32 C ATOM 892 O GLU A 55 7.690 9.850 2.551 1.00 64.15 O ATOM 893 CB GLU A 55 7.226 6.597 1.425 1.00 5.42 C ATOM 894 CG GLU A 55 6.481 7.274 0.258 1.00 72.42 C ATOM 895 CD GLU A 55 7.390 7.855 -0.839 1.00 35.34 C ATOM 896 OE1 GLU A 55 7.985 7.063 -1.604 1.00 4.45 O ATOM 897 OE2 GLU A 55 7.490 9.098 -0.960 1.00 4.21 O ATOM 0 H GLU A 55 8.113 5.959 3.705 1.00 51.32 H new ATOM 0 HA GLU A 55 8.955 7.904 1.652 1.00 71.23 H new ATOM 0 HB2 GLU A 55 7.822 5.780 1.019 1.00 5.42 H new ATOM 0 HB3 GLU A 55 6.485 6.152 2.089 1.00 5.42 H new ATOM 0 HG2 GLU A 55 5.808 6.546 -0.195 1.00 72.42 H new ATOM 0 HG3 GLU A 55 5.861 8.076 0.658 1.00 72.42 H new ATOM 904 N MET A 56 6.377 8.388 3.678 1.00 44.20 N ATOM 905 CA MET A 56 5.453 9.392 4.258 1.00 64.55 C ATOM 906 C MET A 56 5.708 9.584 5.758 1.00 12.31 C ATOM 907 O MET A 56 4.902 10.210 6.452 1.00 43.22 O ATOM 908 CB MET A 56 3.992 8.941 3.978 1.00 71.35 C ATOM 909 CG MET A 56 3.572 9.073 2.509 1.00 64.21 C ATOM 910 SD MET A 56 2.111 8.094 2.114 1.00 54.14 S ATOM 911 CE MET A 56 2.823 6.447 1.968 1.00 61.04 C ATOM 0 H MET A 56 6.170 7.433 3.969 1.00 44.20 H new ATOM 0 HA MET A 56 5.626 10.361 3.790 1.00 64.55 H new ATOM 0 HB2 MET A 56 3.877 7.902 4.287 1.00 71.35 H new ATOM 0 HB3 MET A 56 3.315 9.533 4.594 1.00 71.35 H new ATOM 0 HG2 MET A 56 3.374 10.121 2.285 1.00 64.21 H new ATOM 0 HG3 MET A 56 4.398 8.761 1.870 1.00 64.21 H new ATOM 0 HE1 MET A 56 2.060 5.700 2.186 1.00 61.04 H new ATOM 0 HE2 MET A 56 3.195 6.300 0.954 1.00 61.04 H new ATOM 0 HE3 MET A 56 3.646 6.342 2.675 1.00 61.04 H new ATOM 921 N GLY A 57 6.836 9.031 6.246 1.00 45.23 N ATOM 922 CA GLY A 57 7.268 9.205 7.634 1.00 53.35 C ATOM 923 C GLY A 57 6.288 8.648 8.665 1.00 23.31 C ATOM 924 O GLY A 57 6.238 9.127 9.799 1.00 22.32 O ATOM 0 H GLY A 57 7.466 8.455 5.687 1.00 45.23 H new ATOM 0 HA2 GLY A 57 8.234 8.718 7.767 1.00 53.35 H new ATOM 0 HA3 GLY A 57 7.417 10.267 7.827 1.00 53.35 H new ATOM 928 N VAL A 58 5.513 7.630 8.275 1.00 73.30 N ATOM 929 CA VAL A 58 4.482 7.029 9.136 1.00 2.44 C ATOM 930 C VAL A 58 4.562 5.494 9.035 1.00 33.00 C ATOM 931 O VAL A 58 4.451 4.932 7.946 1.00 73.23 O ATOM 932 CB VAL A 58 3.037 7.563 8.767 1.00 1.54 C ATOM 933 CG1 VAL A 58 2.725 7.405 7.264 1.00 71.41 C ATOM 934 CG2 VAL A 58 1.955 6.883 9.628 1.00 1.41 C ATOM 0 H VAL A 58 5.581 7.198 7.354 1.00 73.30 H new ATOM 0 HA VAL A 58 4.669 7.322 10.169 1.00 2.44 H new ATOM 0 HB VAL A 58 3.028 8.630 8.988 1.00 1.54 H new ATOM 0 HG11 VAL A 58 1.724 7.784 7.058 1.00 71.41 H new ATOM 0 HG12 VAL A 58 3.453 7.968 6.680 1.00 71.41 H new ATOM 0 HG13 VAL A 58 2.777 6.351 6.990 1.00 71.41 H new ATOM 0 HG21 VAL A 58 0.974 7.270 9.352 1.00 1.41 H new ATOM 0 HG22 VAL A 58 1.981 5.806 9.461 1.00 1.41 H new ATOM 0 HG23 VAL A 58 2.144 7.091 10.681 1.00 1.41 H new ATOM 944 N SER A 59 4.797 4.825 10.167 1.00 33.13 N ATOM 945 CA SER A 59 4.890 3.370 10.220 1.00 3.34 C ATOM 946 C SER A 59 3.489 2.750 10.215 1.00 44.14 C ATOM 947 O SER A 59 2.546 3.332 10.780 1.00 11.24 O ATOM 948 CB SER A 59 5.637 2.939 11.497 1.00 4.11 C ATOM 949 OG SER A 59 5.886 1.545 11.495 1.00 5.32 O ATOM 0 H SER A 59 4.928 5.280 11.071 1.00 33.13 H new ATOM 0 HA SER A 59 5.438 3.023 9.344 1.00 3.34 H new ATOM 0 HB2 SER A 59 6.580 3.480 11.571 1.00 4.11 H new ATOM 0 HB3 SER A 59 5.048 3.205 12.374 1.00 4.11 H new ATOM 0 HG SER A 59 6.362 1.297 12.315 1.00 5.32 H new ATOM 955 N ILE A 60 3.354 1.585 9.571 1.00 42.31 N ATOM 956 CA ILE A 60 2.204 0.706 9.768 1.00 32.31 C ATOM 957 C ILE A 60 2.543 -0.239 10.943 1.00 0.24 C ATOM 958 O ILE A 60 3.425 -1.099 10.804 1.00 14.51 O ATOM 959 CB ILE A 60 1.848 -0.158 8.504 1.00 3.41 C ATOM 960 CG1 ILE A 60 1.606 0.718 7.236 1.00 42.42 C ATOM 961 CG2 ILE A 60 0.601 -1.026 8.802 1.00 43.34 C ATOM 962 CD1 ILE A 60 0.269 1.453 7.230 1.00 21.54 C ATOM 0 H ILE A 60 4.037 1.230 8.902 1.00 42.31 H new ATOM 0 HA ILE A 60 1.333 1.330 9.967 1.00 32.31 H new ATOM 0 HB ILE A 60 2.703 -0.799 8.290 1.00 3.41 H new ATOM 0 HG12 ILE A 60 2.410 1.449 7.154 1.00 42.42 H new ATOM 0 HG13 ILE A 60 1.662 0.082 6.353 1.00 42.42 H new ATOM 0 HG21 ILE A 60 0.356 -1.624 7.924 1.00 43.34 H new ATOM 0 HG22 ILE A 60 0.810 -1.686 9.644 1.00 43.34 H new ATOM 0 HG23 ILE A 60 -0.242 -0.380 9.048 1.00 43.34 H new ATOM 0 HD11 ILE A 60 0.180 2.038 6.315 1.00 21.54 H new ATOM 0 HD12 ILE A 60 -0.544 0.729 7.278 1.00 21.54 H new ATOM 0 HD13 ILE A 60 0.215 2.117 8.092 1.00 21.54 H new ATOM 974 N PRO A 61 1.883 -0.063 12.126 1.00 1.45 N ATOM 975 CA PRO A 61 2.104 -0.940 13.298 1.00 45.40 C ATOM 976 C PRO A 61 1.516 -2.352 13.076 1.00 54.53 C ATOM 977 O PRO A 61 0.684 -2.550 12.180 1.00 54.23 O ATOM 978 CB PRO A 61 1.380 -0.184 14.429 1.00 23.13 C ATOM 979 CG PRO A 61 0.312 0.613 13.755 1.00 50.22 C ATOM 980 CD PRO A 61 0.878 1.004 12.415 1.00 63.34 C ATOM 0 HA PRO A 61 3.158 -1.119 13.510 1.00 45.40 H new ATOM 0 HB2 PRO A 61 0.954 -0.877 15.154 1.00 23.13 H new ATOM 0 HB3 PRO A 61 2.069 0.463 14.972 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -0.599 0.027 13.639 1.00 50.22 H new ATOM 0 HG3 PRO A 61 0.052 1.494 14.342 1.00 50.22 H new ATOM 0 HD2 PRO A 61 0.103 1.041 11.649 1.00 63.34 H new ATOM 0 HD3 PRO A 61 1.341 1.990 12.449 1.00 63.34 H new ATOM 988 N SER A 62 1.933 -3.319 13.919 1.00 11.42 N ATOM 989 CA SER A 62 1.522 -4.737 13.774 1.00 75.53 C ATOM 990 C SER A 62 0.020 -4.939 14.058 1.00 33.33 C ATOM 991 O SER A 62 -0.587 -5.899 13.569 1.00 44.42 O ATOM 992 CB SER A 62 2.389 -5.644 14.666 1.00 1.12 C ATOM 993 OG SER A 62 3.765 -5.466 14.367 1.00 61.12 O ATOM 0 H SER A 62 2.555 -3.147 14.709 1.00 11.42 H new ATOM 0 HA SER A 62 1.684 -5.022 12.734 1.00 75.53 H new ATOM 0 HB2 SER A 62 2.206 -5.414 15.716 1.00 1.12 H new ATOM 0 HB3 SER A 62 2.110 -6.687 14.515 1.00 1.12 H new ATOM 0 HG SER A 62 4.303 -6.048 14.943 1.00 61.12 H new ATOM 999 N THR A 63 -0.571 -4.007 14.822 1.00 22.43 N ATOM 1000 CA THR A 63 -2.023 -3.990 15.111 1.00 0.43 C ATOM 1001 C THR A 63 -2.841 -3.524 13.885 1.00 33.42 C ATOM 1002 O THR A 63 -4.065 -3.657 13.847 1.00 74.32 O ATOM 1003 CB THR A 63 -2.316 -3.079 16.356 1.00 15.04 C ATOM 1004 OG1 THR A 63 -3.700 -3.157 16.742 1.00 51.54 O ATOM 1005 CG2 THR A 63 -1.940 -1.610 16.101 1.00 12.23 C ATOM 0 H THR A 63 -0.059 -3.241 15.260 1.00 22.43 H new ATOM 0 HA THR A 63 -2.333 -5.009 15.340 1.00 0.43 H new ATOM 0 HB THR A 63 -1.693 -3.456 17.167 1.00 15.04 H new ATOM 0 HG1 THR A 63 -4.235 -3.462 15.980 1.00 51.54 H new ATOM 0 HG21 THR A 63 -2.160 -1.018 16.990 1.00 12.23 H new ATOM 0 HG22 THR A 63 -0.876 -1.541 15.874 1.00 12.23 H new ATOM 0 HG23 THR A 63 -2.517 -1.228 15.259 1.00 12.23 H new ATOM 1013 N HIS A 64 -2.147 -2.961 12.879 1.00 42.15 N ATOM 1014 CA HIS A 64 -2.756 -2.436 11.644 1.00 50.44 C ATOM 1015 C HIS A 64 -2.339 -3.250 10.423 1.00 31.15 C ATOM 1016 O HIS A 64 -2.553 -2.823 9.280 1.00 3.55 O ATOM 1017 CB HIS A 64 -2.420 -0.930 11.507 1.00 40.02 C ATOM 1018 CG HIS A 64 -3.229 -0.052 12.442 1.00 31.14 C ATOM 1019 ND1 HIS A 64 -4.155 -0.547 13.358 1.00 74.34 N ATOM 1020 CD2 HIS A 64 -3.300 1.291 12.549 1.00 1.14 C ATOM 1021 CE1 HIS A 64 -4.747 0.451 13.973 1.00 72.30 C ATOM 1022 NE2 HIS A 64 -4.246 1.576 13.501 1.00 14.32 N ATOM 0 H HIS A 64 -1.133 -2.857 12.902 1.00 42.15 H new ATOM 0 HA HIS A 64 -3.840 -2.535 11.705 1.00 50.44 H new ATOM 0 HB2 HIS A 64 -1.359 -0.781 11.706 1.00 40.02 H new ATOM 0 HB3 HIS A 64 -2.598 -0.616 10.479 1.00 40.02 H new ATOM 0 HD2 HIS A 64 -2.719 2.009 11.989 1.00 1.14 H new ATOM 0 HE1 HIS A 64 -5.510 0.365 14.732 1.00 72.30 H new ATOM 0 HE2 HIS A 64 -4.519 2.513 13.798 1.00 14.32 H new ATOM 1031 N ILE A 65 -1.785 -4.454 10.653 1.00 22.12 N ATOM 1032 CA ILE A 65 -1.487 -5.383 9.561 1.00 71.05 C ATOM 1033 C ILE A 65 -2.724 -6.231 9.312 1.00 43.31 C ATOM 1034 O ILE A 65 -2.955 -7.252 9.975 1.00 55.50 O ATOM 1035 CB ILE A 65 -0.243 -6.287 9.854 1.00 60.03 C ATOM 1036 CG1 ILE A 65 0.951 -5.414 10.298 1.00 0.11 C ATOM 1037 CG2 ILE A 65 0.141 -7.123 8.612 1.00 25.31 C ATOM 1038 CD1 ILE A 65 1.314 -4.329 9.310 1.00 54.35 C ATOM 0 H ILE A 65 -1.538 -4.800 11.580 1.00 22.12 H new ATOM 0 HA ILE A 65 -1.230 -4.805 8.673 1.00 71.05 H new ATOM 0 HB ILE A 65 -0.503 -6.975 10.658 1.00 60.03 H new ATOM 0 HG12 ILE A 65 0.716 -4.954 11.258 1.00 0.11 H new ATOM 0 HG13 ILE A 65 1.819 -6.055 10.455 1.00 0.11 H new ATOM 0 HG21 ILE A 65 1.008 -7.742 8.844 1.00 25.31 H new ATOM 0 HG22 ILE A 65 -0.696 -7.762 8.331 1.00 25.31 H new ATOM 0 HG23 ILE A 65 0.382 -6.456 7.785 1.00 25.31 H new ATOM 0 HD11 ILE A 65 2.161 -3.758 9.691 1.00 54.35 H new ATOM 0 HD12 ILE A 65 1.582 -4.781 8.355 1.00 54.35 H new ATOM 0 HD13 ILE A 65 0.462 -3.664 9.170 1.00 54.35 H new ATOM 1050 N THR A 66 -3.542 -5.755 8.378 1.00 13.21 N ATOM 1051 CA THR A 66 -4.799 -6.385 8.017 1.00 30.31 C ATOM 1052 C THR A 66 -5.129 -6.068 6.559 1.00 54.05 C ATOM 1053 O THR A 66 -4.818 -4.982 6.067 1.00 32.04 O ATOM 1054 CB THR A 66 -5.971 -5.914 8.950 1.00 42.21 C ATOM 1055 OG1 THR A 66 -7.226 -6.434 8.471 1.00 52.43 O ATOM 1056 CG2 THR A 66 -6.054 -4.373 9.064 1.00 31.12 C ATOM 0 H THR A 66 -3.343 -4.908 7.845 1.00 13.21 H new ATOM 0 HA THR A 66 -4.689 -7.462 8.144 1.00 30.31 H new ATOM 0 HB THR A 66 -5.763 -6.305 9.946 1.00 42.21 H new ATOM 0 HG1 THR A 66 -7.950 -6.136 9.061 1.00 52.43 H new ATOM 0 HG21 THR A 66 -6.881 -4.101 9.720 1.00 31.12 H new ATOM 0 HG22 THR A 66 -5.121 -3.988 9.476 1.00 31.12 H new ATOM 0 HG23 THR A 66 -6.218 -3.943 8.076 1.00 31.12 H new ATOM 1064 N GLY A 67 -5.787 -7.018 5.886 1.00 62.24 N ATOM 1065 CA GLY A 67 -6.221 -6.830 4.507 1.00 12.24 C ATOM 1066 C GLY A 67 -7.233 -5.700 4.354 1.00 44.34 C ATOM 1067 O GLY A 67 -7.392 -5.171 3.269 1.00 64.15 O ATOM 0 H GLY A 67 -6.029 -7.927 6.280 1.00 62.24 H new ATOM 0 HA2 GLY A 67 -5.352 -6.620 3.883 1.00 12.24 H new ATOM 0 HA3 GLY A 67 -6.661 -7.757 4.140 1.00 12.24 H new ATOM 1071 N LYS A 68 -7.908 -5.335 5.467 1.00 3.23 N ATOM 1072 CA LYS A 68 -8.858 -4.207 5.508 1.00 35.21 C ATOM 1073 C LYS A 68 -8.170 -2.870 5.139 1.00 53.22 C ATOM 1074 O LYS A 68 -8.765 -2.008 4.486 1.00 64.31 O ATOM 1075 CB LYS A 68 -9.495 -4.098 6.916 1.00 45.33 C ATOM 1076 CG LYS A 68 -10.385 -2.845 7.119 1.00 33.14 C ATOM 1077 CD LYS A 68 -11.001 -2.758 8.532 1.00 21.34 C ATOM 1078 CE LYS A 68 -11.782 -1.443 8.760 1.00 43.22 C ATOM 1079 NZ LYS A 68 -12.493 -1.424 10.069 1.00 24.30 N ATOM 0 H LYS A 68 -7.808 -5.816 6.361 1.00 3.23 H new ATOM 0 HA LYS A 68 -9.636 -4.402 4.770 1.00 35.21 H new ATOM 0 HB2 LYS A 68 -10.095 -4.989 7.100 1.00 45.33 H new ATOM 0 HB3 LYS A 68 -8.700 -4.089 7.662 1.00 45.33 H new ATOM 0 HG2 LYS A 68 -9.790 -1.951 6.934 1.00 33.14 H new ATOM 0 HG3 LYS A 68 -11.186 -2.853 6.380 1.00 33.14 H new ATOM 0 HD2 LYS A 68 -11.670 -3.605 8.686 1.00 21.34 H new ATOM 0 HD3 LYS A 68 -10.208 -2.839 9.276 1.00 21.34 H new ATOM 0 HE2 LYS A 68 -11.092 -0.601 8.712 1.00 43.22 H new ATOM 0 HE3 LYS A 68 -12.505 -1.309 7.955 1.00 43.22 H new ATOM 0 HZ1 LYS A 68 -13.001 -0.523 10.175 1.00 24.30 H new ATOM 0 HZ2 LYS A 68 -13.172 -2.211 10.107 1.00 24.30 H new ATOM 0 HZ3 LYS A 68 -11.803 -1.525 10.840 1.00 24.30 H new ATOM 1093 N TYR A 69 -6.927 -2.697 5.595 1.00 63.43 N ATOM 1094 CA TYR A 69 -6.148 -1.466 5.339 1.00 25.35 C ATOM 1095 C TYR A 69 -5.363 -1.570 4.040 1.00 55.50 C ATOM 1096 O TYR A 69 -5.170 -0.579 3.333 1.00 5.44 O ATOM 1097 CB TYR A 69 -5.198 -1.181 6.525 1.00 40.41 C ATOM 1098 CG TYR A 69 -5.899 -0.720 7.827 1.00 54.04 C ATOM 1099 CD1 TYR A 69 -7.305 -0.625 7.938 1.00 33.41 C ATOM 1100 CD2 TYR A 69 -5.153 -0.362 8.946 1.00 12.35 C ATOM 1101 CE1 TYR A 69 -7.907 -0.201 9.104 1.00 31.42 C ATOM 1102 CE2 TYR A 69 -5.768 0.066 10.107 1.00 41.24 C ATOM 1103 CZ TYR A 69 -7.130 0.142 10.182 1.00 24.14 C ATOM 1104 OH TYR A 69 -7.708 0.576 11.346 1.00 35.42 O ATOM 0 H TYR A 69 -6.429 -3.395 6.148 1.00 63.43 H new ATOM 0 HA TYR A 69 -6.848 -0.636 5.239 1.00 25.35 H new ATOM 0 HB2 TYR A 69 -4.626 -2.084 6.738 1.00 40.41 H new ATOM 0 HB3 TYR A 69 -4.484 -0.415 6.223 1.00 40.41 H new ATOM 0 HD1 TYR A 69 -7.921 -0.890 7.091 1.00 33.41 H new ATOM 0 HD2 TYR A 69 -4.075 -0.420 8.906 1.00 12.35 H new ATOM 0 HE1 TYR A 69 -8.983 -0.139 9.168 1.00 31.42 H new ATOM 0 HE2 TYR A 69 -5.168 0.342 10.961 1.00 41.24 H new ATOM 0 HH TYR A 69 -7.009 0.774 12.004 1.00 35.42 H new ATOM 1114 N PHE A 70 -4.931 -2.789 3.731 1.00 31.41 N ATOM 1115 CA PHE A 70 -4.085 -3.074 2.564 1.00 54.10 C ATOM 1116 C PHE A 70 -4.911 -3.504 1.340 1.00 24.32 C ATOM 1117 O PHE A 70 -4.320 -3.999 0.369 1.00 60.25 O ATOM 1118 CB PHE A 70 -3.034 -4.159 2.931 1.00 44.02 C ATOM 1119 CG PHE A 70 -1.939 -3.682 3.901 1.00 12.04 C ATOM 1120 CD1 PHE A 70 -2.180 -3.582 5.270 1.00 61.31 C ATOM 1121 CD2 PHE A 70 -0.667 -3.339 3.437 1.00 41.02 C ATOM 1122 CE1 PHE A 70 -1.199 -3.157 6.136 1.00 0.13 C ATOM 1123 CE2 PHE A 70 0.315 -2.915 4.311 1.00 15.32 C ATOM 1124 CZ PHE A 70 0.052 -2.828 5.653 1.00 10.41 C ATOM 0 H PHE A 70 -5.157 -3.616 4.284 1.00 31.41 H new ATOM 0 HA PHE A 70 -3.572 -2.153 2.288 1.00 54.10 H new ATOM 0 HB2 PHE A 70 -3.549 -5.011 3.375 1.00 44.02 H new ATOM 0 HB3 PHE A 70 -2.561 -4.514 2.015 1.00 44.02 H new ATOM 0 HD1 PHE A 70 -3.154 -3.843 5.658 1.00 61.31 H new ATOM 0 HD2 PHE A 70 -0.448 -3.406 2.381 1.00 41.02 H new ATOM 0 HE1 PHE A 70 -1.407 -3.081 7.193 1.00 0.13 H new ATOM 0 HE2 PHE A 70 1.293 -2.651 3.936 1.00 15.32 H new ATOM 0 HZ PHE A 70 0.824 -2.502 6.334 1.00 10.41 H new ATOM 1134 N LYS A 71 -6.262 -3.294 1.376 1.00 74.43 N ATOM 1135 CA LYS A 71 -7.195 -3.757 0.296 1.00 22.34 C ATOM 1136 C LYS A 71 -6.659 -3.404 -1.086 1.00 50.34 C ATOM 1137 O LYS A 71 -6.534 -4.263 -1.943 1.00 21.42 O ATOM 1138 CB LYS A 71 -8.606 -3.128 0.433 1.00 13.12 C ATOM 1139 CG LYS A 71 -9.450 -3.631 1.613 1.00 25.43 C ATOM 1140 CD LYS A 71 -10.605 -2.673 1.958 1.00 53.45 C ATOM 1141 CE LYS A 71 -11.577 -2.422 0.794 1.00 51.53 C ATOM 1142 NZ LYS A 71 -12.540 -1.333 1.106 1.00 74.52 N ATOM 0 H LYS A 71 -6.730 -2.807 2.140 1.00 74.43 H new ATOM 0 HA LYS A 71 -7.268 -4.839 0.409 1.00 22.34 H new ATOM 0 HB2 LYS A 71 -8.494 -2.048 0.525 1.00 13.12 H new ATOM 0 HB3 LYS A 71 -9.157 -3.314 -0.489 1.00 13.12 H new ATOM 0 HG2 LYS A 71 -9.856 -4.614 1.373 1.00 25.43 H new ATOM 0 HG3 LYS A 71 -8.811 -3.755 2.487 1.00 25.43 H new ATOM 0 HD2 LYS A 71 -11.162 -3.081 2.802 1.00 53.45 H new ATOM 0 HD3 LYS A 71 -10.188 -1.719 2.282 1.00 53.45 H new ATOM 0 HE2 LYS A 71 -11.013 -2.163 -0.102 1.00 51.53 H new ATOM 0 HE3 LYS A 71 -12.124 -3.339 0.572 1.00 51.53 H new ATOM 0 HZ1 LYS A 71 -13.179 -1.193 0.298 1.00 74.52 H new ATOM 0 HZ2 LYS A 71 -13.096 -1.591 1.946 1.00 74.52 H new ATOM 0 HZ3 LYS A 71 -12.019 -0.452 1.293 1.00 74.52 H new ATOM 1156 N ASP A 72 -6.311 -2.121 -1.251 1.00 43.21 N ATOM 1157 CA ASP A 72 -5.886 -1.553 -2.536 1.00 33.11 C ATOM 1158 C ASP A 72 -5.242 -0.180 -2.319 1.00 63.30 C ATOM 1159 O ASP A 72 -4.929 0.191 -1.186 1.00 32.34 O ATOM 1160 CB ASP A 72 -7.098 -1.462 -3.502 1.00 1.43 C ATOM 1161 CG ASP A 72 -8.142 -0.415 -3.100 1.00 62.11 C ATOM 1162 OD1 ASP A 72 -8.739 -0.535 -2.017 1.00 3.21 O ATOM 1163 OD2 ASP A 72 -8.373 0.529 -3.875 1.00 65.22 O ATOM 0 H ASP A 72 -6.317 -1.443 -0.489 1.00 43.21 H new ATOM 0 HA ASP A 72 -5.140 -2.205 -2.990 1.00 33.11 H new ATOM 0 HB2 ASP A 72 -6.734 -1.231 -4.503 1.00 1.43 H new ATOM 0 HB3 ASP A 72 -7.580 -2.438 -3.556 1.00 1.43 H new ATOM 1168 N LEU A 73 -5.031 0.566 -3.413 1.00 41.51 N ATOM 1169 CA LEU A 73 -4.431 1.911 -3.374 1.00 73.12 C ATOM 1170 C LEU A 73 -5.332 2.862 -2.587 1.00 55.13 C ATOM 1171 O LEU A 73 -4.856 3.620 -1.743 1.00 62.41 O ATOM 1172 CB LEU A 73 -4.187 2.409 -4.824 1.00 2.53 C ATOM 1173 CG LEU A 73 -3.784 3.903 -5.070 1.00 2.15 C ATOM 1174 CD1 LEU A 73 -3.043 4.036 -6.410 1.00 62.43 C ATOM 1175 CD2 LEU A 73 -5.009 4.850 -5.081 1.00 25.45 C ATOM 0 H LEU A 73 -5.272 0.254 -4.354 1.00 41.51 H new ATOM 0 HA LEU A 73 -3.469 1.876 -2.863 1.00 73.12 H new ATOM 0 HB2 LEU A 73 -3.405 1.785 -5.256 1.00 2.53 H new ATOM 0 HB3 LEU A 73 -5.098 2.219 -5.392 1.00 2.53 H new ATOM 0 HG LEU A 73 -3.136 4.195 -4.244 1.00 2.15 H new ATOM 0 HD11 LEU A 73 -2.767 5.078 -6.571 1.00 62.43 H new ATOM 0 HD12 LEU A 73 -2.143 3.421 -6.391 1.00 62.43 H new ATOM 0 HD13 LEU A 73 -3.692 3.703 -7.220 1.00 62.43 H new ATOM 0 HD21 LEU A 73 -4.676 5.873 -5.255 1.00 25.45 H new ATOM 0 HD22 LEU A 73 -5.693 4.551 -5.875 1.00 25.45 H new ATOM 0 HD23 LEU A 73 -5.521 4.793 -4.121 1.00 25.45 H new ATOM 1187 N ASN A 74 -6.642 2.812 -2.878 1.00 5.44 N ATOM 1188 CA ASN A 74 -7.622 3.721 -2.259 1.00 30.03 C ATOM 1189 C ASN A 74 -7.738 3.443 -0.759 1.00 31.24 C ATOM 1190 O ASN A 74 -7.855 4.372 0.031 1.00 72.01 O ATOM 1191 CB ASN A 74 -9.001 3.617 -2.939 1.00 12.22 C ATOM 1192 CG ASN A 74 -8.987 4.070 -4.403 1.00 45.34 C ATOM 1193 OD1 ASN A 74 -9.191 5.247 -4.704 1.00 65.13 O ATOM 1194 ND2 ASN A 74 -8.730 3.155 -5.319 1.00 31.54 N ATOM 0 H ASN A 74 -7.048 2.150 -3.540 1.00 5.44 H new ATOM 0 HA ASN A 74 -7.263 4.740 -2.399 1.00 30.03 H new ATOM 0 HB2 ASN A 74 -9.347 2.585 -2.888 1.00 12.22 H new ATOM 0 HB3 ASN A 74 -9.719 4.222 -2.385 1.00 12.22 H new ATOM 0 HD21 ASN A 74 -8.696 3.415 -6.305 1.00 31.54 H new ATOM 0 HD22 ASN A 74 -8.565 2.188 -5.041 1.00 31.54 H new ATOM 1201 N ALA A 75 -7.674 2.158 -0.379 1.00 15.14 N ATOM 1202 CA ALA A 75 -7.678 1.756 1.039 1.00 61.20 C ATOM 1203 C ALA A 75 -6.439 2.292 1.785 1.00 53.54 C ATOM 1204 O ALA A 75 -6.566 2.948 2.822 1.00 2.52 O ATOM 1205 CB ALA A 75 -7.768 0.236 1.153 1.00 43.12 C ATOM 0 H ALA A 75 -7.619 1.377 -1.033 1.00 15.14 H new ATOM 0 HA ALA A 75 -8.555 2.197 1.513 1.00 61.20 H new ATOM 0 HB1 ALA A 75 -7.770 -0.050 2.205 1.00 43.12 H new ATOM 0 HB2 ALA A 75 -8.687 -0.111 0.681 1.00 43.12 H new ATOM 0 HB3 ALA A 75 -6.911 -0.218 0.655 1.00 43.12 H new ATOM 1211 N ILE A 76 -5.253 2.031 1.209 1.00 53.04 N ATOM 1212 CA ILE A 76 -3.954 2.438 1.786 1.00 32.33 C ATOM 1213 C ILE A 76 -3.832 3.960 1.857 1.00 13.33 C ATOM 1214 O ILE A 76 -3.298 4.463 2.828 1.00 2.13 O ATOM 1215 CB ILE A 76 -2.737 1.805 0.993 1.00 71.23 C ATOM 1216 CG1 ILE A 76 -2.697 0.257 1.213 1.00 24.44 C ATOM 1217 CG2 ILE A 76 -1.375 2.447 1.390 1.00 0.51 C ATOM 1218 CD1 ILE A 76 -1.548 -0.478 0.536 1.00 43.35 C ATOM 0 H ILE A 76 -5.165 1.529 0.325 1.00 53.04 H new ATOM 0 HA ILE A 76 -3.917 2.051 2.804 1.00 32.33 H new ATOM 0 HB ILE A 76 -2.893 2.015 -0.065 1.00 71.23 H new ATOM 0 HG12 ILE A 76 -2.647 0.062 2.284 1.00 24.44 H new ATOM 0 HG13 ILE A 76 -3.636 -0.166 0.855 1.00 24.44 H new ATOM 0 HG21 ILE A 76 -0.572 1.980 0.820 1.00 0.51 H new ATOM 0 HG22 ILE A 76 -1.399 3.515 1.174 1.00 0.51 H new ATOM 0 HG23 ILE A 76 -1.198 2.296 2.455 1.00 0.51 H new ATOM 0 HD11 ILE A 76 -1.618 -1.543 0.755 1.00 43.35 H new ATOM 0 HD12 ILE A 76 -1.603 -0.325 -0.542 1.00 43.35 H new ATOM 0 HD13 ILE A 76 -0.599 -0.093 0.909 1.00 43.35 H new ATOM 1230 N SER A 77 -4.373 4.683 0.860 1.00 71.22 N ATOM 1231 CA SER A 77 -4.295 6.157 0.837 1.00 34.15 C ATOM 1232 C SER A 77 -5.172 6.751 1.951 1.00 11.13 C ATOM 1233 O SER A 77 -4.712 7.573 2.739 1.00 32.03 O ATOM 1234 CB SER A 77 -4.690 6.702 -0.545 1.00 45.33 C ATOM 1235 OG SER A 77 -6.007 6.337 -0.901 1.00 23.13 O ATOM 0 H SER A 77 -4.865 4.276 0.065 1.00 71.22 H new ATOM 0 HA SER A 77 -3.264 6.459 1.023 1.00 34.15 H new ATOM 0 HB2 SER A 77 -4.602 7.788 -0.545 1.00 45.33 H new ATOM 0 HB3 SER A 77 -3.994 6.326 -1.295 1.00 45.33 H new ATOM 0 HG SER A 77 -6.259 5.518 -0.426 1.00 23.13 H new ATOM 1241 N ARG A 78 -6.416 6.270 2.046 1.00 1.00 N ATOM 1242 CA ARG A 78 -7.364 6.717 3.090 1.00 73.23 C ATOM 1243 C ARG A 78 -6.833 6.399 4.500 1.00 2.31 C ATOM 1244 O ARG A 78 -7.038 7.173 5.443 1.00 14.05 O ATOM 1245 CB ARG A 78 -8.750 6.071 2.884 1.00 32.21 C ATOM 1246 CG ARG A 78 -9.494 6.519 1.608 1.00 14.33 C ATOM 1247 CD ARG A 78 -9.796 8.025 1.577 1.00 61.51 C ATOM 1248 NE ARG A 78 -10.597 8.459 2.742 1.00 74.12 N ATOM 1249 CZ ARG A 78 -10.401 9.591 3.439 1.00 30.30 C ATOM 1250 NH1 ARG A 78 -9.424 10.420 3.108 1.00 30.03 N ATOM 1251 NH2 ARG A 78 -11.191 9.882 4.459 1.00 53.42 N ATOM 0 H ARG A 78 -6.798 5.568 1.413 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.466 7.799 3.001 1.00 73.23 H new ATOM 0 HB2 ARG A 78 -8.629 4.988 2.855 1.00 32.21 H new ATOM 0 HB3 ARG A 78 -9.373 6.299 3.749 1.00 32.21 H new ATOM 0 HG2 ARG A 78 -8.895 6.258 0.736 1.00 14.33 H new ATOM 0 HG3 ARG A 78 -10.430 5.966 1.529 1.00 14.33 H new ATOM 0 HD2 ARG A 78 -8.859 8.581 1.555 1.00 61.51 H new ATOM 0 HD3 ARG A 78 -10.332 8.267 0.659 1.00 61.51 H new ATOM 0 HE ARG A 78 -11.359 7.850 3.040 1.00 74.12 H new ATOM 0 HH11 ARG A 78 -8.815 10.201 2.320 1.00 30.03 H new ATOM 0 HH12 ARG A 78 -9.280 11.278 3.641 1.00 30.03 H new ATOM 0 HH21 ARG A 78 -11.947 9.248 4.715 1.00 53.42 H new ATOM 0 HH22 ARG A 78 -11.044 10.741 4.989 1.00 53.42 H new ATOM 1265 N THR A 79 -6.135 5.259 4.617 1.00 42.32 N ATOM 1266 CA THR A 79 -5.549 4.809 5.879 1.00 44.42 C ATOM 1267 C THR A 79 -4.272 5.596 6.212 1.00 40.13 C ATOM 1268 O THR A 79 -4.088 6.022 7.342 1.00 60.13 O ATOM 1269 CB THR A 79 -5.252 3.274 5.854 1.00 44.13 C ATOM 1270 OG1 THR A 79 -6.471 2.555 5.610 1.00 42.23 O ATOM 1271 CG2 THR A 79 -4.623 2.782 7.173 1.00 43.43 C ATOM 0 H THR A 79 -5.964 4.626 3.836 1.00 42.32 H new ATOM 0 HA THR A 79 -6.283 5.000 6.662 1.00 44.42 H new ATOM 0 HB THR A 79 -4.534 3.090 5.055 1.00 44.13 H new ATOM 0 HG1 THR A 79 -6.681 2.582 4.653 1.00 42.23 H new ATOM 0 HG21 THR A 79 -4.435 1.710 7.109 1.00 43.43 H new ATOM 0 HG22 THR A 79 -3.683 3.306 7.346 1.00 43.43 H new ATOM 0 HG23 THR A 79 -5.306 2.981 7.999 1.00 43.43 H new ATOM 1279 N VAL A 80 -3.411 5.833 5.218 1.00 42.22 N ATOM 1280 CA VAL A 80 -2.101 6.465 5.462 1.00 20.40 C ATOM 1281 C VAL A 80 -2.286 7.950 5.814 1.00 33.45 C ATOM 1282 O VAL A 80 -1.525 8.506 6.615 1.00 42.53 O ATOM 1283 CB VAL A 80 -1.108 6.279 4.255 1.00 4.13 C ATOM 1284 CG1 VAL A 80 -1.495 7.101 3.009 1.00 31.22 C ATOM 1285 CG2 VAL A 80 0.331 6.574 4.680 1.00 15.44 C ATOM 0 H VAL A 80 -3.591 5.600 4.241 1.00 42.22 H new ATOM 0 HA VAL A 80 -1.644 5.958 6.312 1.00 20.40 H new ATOM 0 HB VAL A 80 -1.181 5.232 3.961 1.00 4.13 H new ATOM 0 HG11 VAL A 80 -0.768 6.925 2.217 1.00 31.22 H new ATOM 0 HG12 VAL A 80 -2.485 6.799 2.667 1.00 31.22 H new ATOM 0 HG13 VAL A 80 -1.506 8.161 3.262 1.00 31.22 H new ATOM 0 HG21 VAL A 80 0.997 6.438 3.828 1.00 15.44 H new ATOM 0 HG22 VAL A 80 0.402 7.602 5.036 1.00 15.44 H new ATOM 0 HG23 VAL A 80 0.621 5.892 5.480 1.00 15.44 H new ATOM 1295 N GLU A 81 -3.335 8.576 5.238 1.00 24.42 N ATOM 1296 CA GLU A 81 -3.715 9.956 5.574 1.00 12.15 C ATOM 1297 C GLU A 81 -4.277 10.040 6.994 1.00 22.31 C ATOM 1298 O GLU A 81 -3.957 10.990 7.725 1.00 23.13 O ATOM 1299 CB GLU A 81 -4.723 10.544 4.563 1.00 34.22 C ATOM 1300 CG GLU A 81 -4.209 10.624 3.112 1.00 24.44 C ATOM 1301 CD GLU A 81 -2.855 11.343 2.961 1.00 41.35 C ATOM 1302 OE1 GLU A 81 -2.792 12.572 3.197 1.00 71.40 O ATOM 1303 OE2 GLU A 81 -1.846 10.684 2.625 1.00 22.51 O ATOM 0 H GLU A 81 -3.933 8.141 4.536 1.00 24.42 H new ATOM 0 HA GLU A 81 -2.806 10.556 5.520 1.00 12.15 H new ATOM 0 HB2 GLU A 81 -5.629 9.938 4.580 1.00 34.22 H new ATOM 0 HB3 GLU A 81 -5.003 11.545 4.890 1.00 34.22 H new ATOM 0 HG2 GLU A 81 -4.117 9.613 2.715 1.00 24.44 H new ATOM 0 HG3 GLU A 81 -4.952 11.140 2.503 1.00 24.44 H new ATOM 1310 N GLN A 82 -5.103 9.045 7.385 1.00 22.11 N ATOM 1311 CA GLN A 82 -5.698 9.016 8.734 1.00 33.53 C ATOM 1312 C GLN A 82 -4.606 8.774 9.779 1.00 61.24 C ATOM 1313 O GLN A 82 -4.634 9.373 10.826 1.00 21.32 O ATOM 1314 CB GLN A 82 -6.860 7.972 8.866 1.00 25.13 C ATOM 1315 CG GLN A 82 -6.458 6.519 9.172 1.00 73.02 C ATOM 1316 CD GLN A 82 -7.643 5.566 9.325 1.00 13.35 C ATOM 1317 OE1 GLN A 82 -8.088 4.950 8.354 1.00 70.11 O ATOM 1318 NE2 GLN A 82 -8.181 5.460 10.530 1.00 45.32 N ATOM 0 H GLN A 82 -5.369 8.260 6.791 1.00 22.11 H new ATOM 0 HA GLN A 82 -6.153 9.990 8.913 1.00 33.53 H new ATOM 0 HB2 GLN A 82 -7.533 8.311 9.654 1.00 25.13 H new ATOM 0 HB3 GLN A 82 -7.429 7.978 7.936 1.00 25.13 H new ATOM 0 HG2 GLN A 82 -5.813 6.155 8.372 1.00 73.02 H new ATOM 0 HG3 GLN A 82 -5.869 6.501 10.089 1.00 73.02 H new ATOM 0 HE21 GLN A 82 -7.788 5.984 11.312 1.00 45.32 H new ATOM 0 HE22 GLN A 82 -8.989 4.854 10.676 1.00 45.32 H new ATOM 1327 N LEU A 83 -3.611 7.927 9.444 1.00 71.15 N ATOM 1328 CA LEU A 83 -2.527 7.550 10.382 1.00 30.11 C ATOM 1329 C LEU A 83 -1.630 8.739 10.729 1.00 14.42 C ATOM 1330 O LEU A 83 -1.166 8.854 11.862 1.00 53.33 O ATOM 1331 CB LEU A 83 -1.675 6.401 9.808 1.00 71.24 C ATOM 1332 CG LEU A 83 -2.374 5.020 9.698 1.00 32.50 C ATOM 1333 CD1 LEU A 83 -1.449 4.009 9.010 1.00 22.33 C ATOM 1334 CD2 LEU A 83 -2.827 4.513 11.081 1.00 60.53 C ATOM 0 H LEU A 83 -3.534 7.488 8.527 1.00 71.15 H new ATOM 0 HA LEU A 83 -3.008 7.212 11.300 1.00 30.11 H new ATOM 0 HB2 LEU A 83 -1.332 6.692 8.815 1.00 71.24 H new ATOM 0 HB3 LEU A 83 -0.788 6.288 10.431 1.00 71.24 H new ATOM 0 HG LEU A 83 -3.269 5.136 9.086 1.00 32.50 H new ATOM 0 HD11 LEU A 83 -1.952 3.045 8.940 1.00 22.33 H new ATOM 0 HD12 LEU A 83 -1.203 4.364 8.009 1.00 22.33 H new ATOM 0 HD13 LEU A 83 -0.534 3.899 9.591 1.00 22.33 H new ATOM 0 HD21 LEU A 83 -3.313 3.544 10.972 1.00 60.53 H new ATOM 0 HD22 LEU A 83 -1.960 4.412 11.734 1.00 60.53 H new ATOM 0 HD23 LEU A 83 -3.529 5.224 11.517 1.00 60.53 H new ATOM 1346 N LYS A 84 -1.385 9.611 9.742 1.00 11.14 N ATOM 1347 CA LYS A 84 -0.652 10.874 9.967 1.00 63.12 C ATOM 1348 C LYS A 84 -1.482 11.843 10.835 1.00 34.42 C ATOM 1349 O LYS A 84 -0.944 12.775 11.417 1.00 1.34 O ATOM 1350 CB LYS A 84 -0.263 11.526 8.619 1.00 74.20 C ATOM 1351 CG LYS A 84 0.720 10.686 7.773 1.00 22.13 C ATOM 1352 CD LYS A 84 1.039 11.333 6.409 1.00 60.12 C ATOM 1353 CE LYS A 84 -0.202 11.496 5.516 1.00 34.10 C ATOM 1354 NZ LYS A 84 0.101 12.181 4.228 1.00 75.32 N ATOM 0 H LYS A 84 -1.682 9.469 8.777 1.00 11.14 H new ATOM 0 HA LYS A 84 0.266 10.646 10.508 1.00 63.12 H new ATOM 0 HB2 LYS A 84 -1.168 11.701 8.038 1.00 74.20 H new ATOM 0 HB3 LYS A 84 0.184 12.501 8.815 1.00 74.20 H new ATOM 0 HG2 LYS A 84 1.647 10.549 8.330 1.00 22.13 H new ATOM 0 HG3 LYS A 84 0.297 9.695 7.610 1.00 22.13 H new ATOM 0 HD2 LYS A 84 1.492 12.311 6.574 1.00 60.12 H new ATOM 0 HD3 LYS A 84 1.777 10.724 5.888 1.00 60.12 H new ATOM 0 HE2 LYS A 84 -0.627 10.514 5.309 1.00 34.10 H new ATOM 0 HE3 LYS A 84 -0.960 12.064 6.055 1.00 34.10 H new ATOM 0 HZ1 LYS A 84 -0.252 13.159 4.263 1.00 75.32 H new ATOM 0 HZ2 LYS A 84 1.129 12.190 4.073 1.00 75.32 H new ATOM 0 HZ3 LYS A 84 -0.362 11.673 3.447 1.00 75.32 H new ATOM 1368 N ALA A 85 -2.799 11.608 10.895 1.00 75.23 N ATOM 1369 CA ALA A 85 -3.725 12.366 11.755 1.00 2.44 C ATOM 1370 C ALA A 85 -3.837 11.738 13.163 1.00 73.23 C ATOM 1371 O ALA A 85 -3.990 12.450 14.165 1.00 52.11 O ATOM 1372 CB ALA A 85 -5.099 12.448 11.075 1.00 31.21 C ATOM 0 H ALA A 85 -3.258 10.882 10.345 1.00 75.23 H new ATOM 0 HA ALA A 85 -3.331 13.373 11.889 1.00 2.44 H new ATOM 0 HB1 ALA A 85 -5.786 13.008 11.709 1.00 31.21 H new ATOM 0 HB2 ALA A 85 -5.000 12.952 10.114 1.00 31.21 H new ATOM 0 HB3 ALA A 85 -5.488 11.442 10.919 1.00 31.21 H new ATOM 1378 N GLU A 86 -3.749 10.395 13.216 1.00 72.21 N ATOM 1379 CA GLU A 86 -3.842 9.629 14.474 1.00 32.42 C ATOM 1380 C GLU A 86 -2.571 9.835 15.314 1.00 64.23 C ATOM 1381 O GLU A 86 -2.633 10.035 16.529 1.00 31.20 O ATOM 1382 CB GLU A 86 -4.033 8.111 14.178 1.00 41.43 C ATOM 1383 CG GLU A 86 -5.280 7.738 13.342 1.00 53.34 C ATOM 1384 CD GLU A 86 -6.620 7.963 14.058 1.00 25.13 C ATOM 1385 OE1 GLU A 86 -7.090 7.031 14.749 1.00 14.53 O ATOM 1386 OE2 GLU A 86 -7.216 9.055 13.924 1.00 11.12 O ATOM 0 H GLU A 86 -3.612 9.812 12.390 1.00 72.21 H new ATOM 0 HA GLU A 86 -4.706 9.990 15.032 1.00 32.42 H new ATOM 0 HB2 GLU A 86 -3.148 7.748 13.656 1.00 41.43 H new ATOM 0 HB3 GLU A 86 -4.084 7.579 15.128 1.00 41.43 H new ATOM 0 HG2 GLU A 86 -5.272 8.322 12.422 1.00 53.34 H new ATOM 0 HG3 GLU A 86 -5.208 6.689 13.055 1.00 53.34 H new ATOM 1393 N SER A 87 -1.422 9.795 14.633 1.00 40.03 N ATOM 1394 CA SER A 87 -0.099 9.870 15.274 1.00 24.24 C ATOM 1395 C SER A 87 0.314 11.336 15.525 1.00 12.42 C ATOM 1396 O SER A 87 1.264 11.589 16.267 1.00 3.53 O ATOM 1397 CB SER A 87 0.940 9.138 14.391 1.00 34.22 C ATOM 1398 OG SER A 87 2.185 8.973 15.046 1.00 63.22 O ATOM 0 H SER A 87 -1.380 9.709 13.617 1.00 40.03 H new ATOM 0 HA SER A 87 -0.145 9.379 16.246 1.00 24.24 H new ATOM 0 HB2 SER A 87 0.549 8.161 14.109 1.00 34.22 H new ATOM 0 HB3 SER A 87 1.089 9.700 13.469 1.00 34.22 H new ATOM 0 HG SER A 87 2.301 9.683 15.711 1.00 63.22 H new ATOM 1404 N ALA A 88 -0.374 12.303 14.877 1.00 34.32 N ATOM 1405 CA ALA A 88 -0.115 13.745 15.086 1.00 4.31 C ATOM 1406 C ALA A 88 -1.275 14.407 15.844 1.00 54.54 C ATOM 1407 O ALA A 88 -2.194 13.739 16.330 1.00 20.34 O ATOM 1408 CB ALA A 88 0.150 14.446 13.742 1.00 10.33 C ATOM 0 H ALA A 88 -1.115 12.110 14.203 1.00 34.32 H new ATOM 0 HA ALA A 88 0.779 13.849 15.701 1.00 4.31 H new ATOM 0 HB1 ALA A 88 0.338 15.506 13.915 1.00 10.33 H new ATOM 0 HB2 ALA A 88 1.019 13.996 13.262 1.00 10.33 H new ATOM 0 HB3 ALA A 88 -0.720 14.333 13.095 1.00 10.33 H new ATOM 1414 N LEU A 89 -1.205 15.735 15.939 1.00 22.01 N ATOM 1415 CA LEU A 89 -2.176 16.567 16.675 1.00 61.23 C ATOM 1416 C LEU A 89 -3.406 16.948 15.808 1.00 5.44 C ATOM 1417 O LEU A 89 -4.239 17.753 16.249 1.00 73.12 O ATOM 1418 CB LEU A 89 -1.424 17.828 17.164 1.00 1.23 C ATOM 1419 CG LEU A 89 -0.669 18.672 16.063 1.00 71.12 C ATOM 1420 CD1 LEU A 89 -1.556 19.788 15.471 1.00 4.15 C ATOM 1421 CD2 LEU A 89 0.658 19.250 16.602 1.00 14.32 C ATOM 0 H LEU A 89 -0.461 16.279 15.501 1.00 22.01 H new ATOM 0 HA LEU A 89 -2.576 16.003 17.518 1.00 61.23 H new ATOM 0 HB2 LEU A 89 -2.141 18.481 17.662 1.00 1.23 H new ATOM 0 HB3 LEU A 89 -0.697 17.521 17.916 1.00 1.23 H new ATOM 0 HG LEU A 89 -0.432 17.983 15.252 1.00 71.12 H new ATOM 0 HD11 LEU A 89 -0.992 20.340 14.719 1.00 4.15 H new ATOM 0 HD12 LEU A 89 -2.439 19.345 15.010 1.00 4.15 H new ATOM 0 HD13 LEU A 89 -1.864 20.468 16.265 1.00 4.15 H new ATOM 0 HD21 LEU A 89 1.150 19.825 15.817 1.00 14.32 H new ATOM 0 HD22 LEU A 89 0.453 19.900 17.453 1.00 14.32 H new ATOM 0 HD23 LEU A 89 1.309 18.434 16.917 1.00 14.32 H new ATOM 1433 N GLU A 90 -3.504 16.374 14.586 1.00 70.24 N ATOM 1434 CA GLU A 90 -4.537 16.733 13.587 1.00 64.10 C ATOM 1435 C GLU A 90 -5.956 16.413 14.115 1.00 72.02 C ATOM 1436 O GLU A 90 -6.322 15.218 14.160 1.00 23.23 O ATOM 1437 CB GLU A 90 -4.268 15.999 12.234 1.00 0.22 C ATOM 1438 CG GLU A 90 -2.844 16.162 11.657 1.00 35.50 C ATOM 1439 CD GLU A 90 -2.400 17.622 11.555 1.00 21.03 C ATOM 1440 OE1 GLU A 90 -2.908 18.348 10.663 1.00 5.33 O ATOM 1441 OE2 GLU A 90 -1.556 18.058 12.368 1.00 54.11 O ATOM 1442 OXT GLU A 90 -6.692 17.349 14.487 1.00 37.99 O ATOM 0 H GLU A 90 -2.866 15.646 14.264 1.00 70.24 H new ATOM 0 HA GLU A 90 -4.482 17.807 13.412 1.00 64.10 H new ATOM 0 HB2 GLU A 90 -4.465 14.936 12.373 1.00 0.22 H new ATOM 0 HB3 GLU A 90 -4.983 16.362 11.496 1.00 0.22 H new ATOM 0 HG2 GLU A 90 -2.139 15.618 12.286 1.00 35.50 H new ATOM 0 HG3 GLU A 90 -2.805 15.707 10.667 1.00 35.50 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 2.371 -14.563 6.509 1.00 44.02 P HETATM 1451 O25 4EM A 101 0.912 -14.687 6.273 1.00 15.41 O HETATM 1452 O26 4EM A 101 3.198 -15.698 6.018 1.00 65.14 O HETATM 1453 O27 4EM A 101 2.738 -14.350 8.075 1.00 41.42 O HETATM 1454 C28 4EM A 101 2.441 -13.193 8.908 1.00 12.42 C HETATM 1455 C29 4EM A 101 1.005 -13.133 9.447 1.00 30.31 C HETATM 1456 C30 4EM A 101 -0.006 -12.915 8.320 1.00 64.43 C HETATM 1457 C31 4EM A 101 0.900 -11.921 10.382 1.00 0.11 C HETATM 1458 C32 4EM A 101 0.699 -14.413 10.238 1.00 51.23 C HETATM 1459 O33 4EM A 101 1.554 -14.526 11.389 1.00 2.54 O HETATM 1460 C34 4EM A 101 -0.770 -14.370 10.707 1.00 14.21 C HETATM 1461 O35 4EM A 101 -1.102 -13.837 11.772 1.00 40.40 O HETATM 1462 N36 4EM A 101 -1.618 -14.969 9.881 1.00 2.11 N HETATM 1463 C37 4EM A 101 -3.062 -15.014 10.028 1.00 60.51 C HETATM 1464 C38 4EM A 101 -3.706 -15.674 8.811 1.00 2.31 C HETATM 1465 C39 4EM A 101 -5.181 -15.331 8.713 1.00 23.04 C HETATM 1466 O40 4EM A 101 -6.095 -16.076 9.061 1.00 65.02 O HETATM 1467 N41 4EM A 101 -5.301 -14.100 8.203 1.00 74.42 N HETATM 1468 C42 4EM A 101 -6.484 -13.308 7.932 1.00 74.05 C HETATM 1469 C43 4EM A 101 -6.491 -12.107 8.868 1.00 0.33 C HETATM 1470 N44 4EM A 101 -5.305 -11.490 8.780 1.00 63.01 N HETATM 1471 C45 4EM A 101 -4.805 -10.925 7.673 1.00 75.51 C HETATM 1472 O46 4EM A 101 -5.373 -10.857 6.582 1.00 52.50 O HETATM 1473 C47 4EM A 101 -3.598 -10.405 7.852 1.00 42.13 C HETATM 1474 C49 4EM A 101 -2.736 -10.096 6.890 1.00 42.12 C HETATM 1475 C51 4EM A 101 -1.589 -9.775 7.482 1.00 24.12 C HETATM 1476 C50 4EM A 101 -1.757 -9.877 8.801 1.00 55.43 C HETATM 1477 N48 4EM A 101 -3.009 -10.271 9.041 1.00 73.03 N