USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 SER OG : rot 47:sc= 0.661 USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0.145 USER MOD Set 2.2: A 77 LYS NZ :NH3+ -175:sc= 0.162 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.135 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 1.22 (180deg=-0.184!) USER MOD Single : A 29 SER OG : rot 71:sc= 0.925 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 63:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.07) USER MOD Single : A 42 CYS SG : rot 94:sc= 0.796 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.95! C(o=-1.9!,f=-9.2!) USER MOD Single : A 50 SER OG : rot 143:sc= 0.614 USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= 1.74 (180deg=1.08) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 1.1 (180deg=0.769) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.577) USER MOD Single : A 78 THR OG1 : rot -81:sc= 0.773 USER MOD Single : A 80 SER OG : rot 63:sc= 0.623 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 89 HIS : no HD1:sc= -0.0671 X(o=-0.067,f=-0.011) USER MOD Single : A 90 HIS : no HE2:sc= 0.916 K(o=0.92,f=-3.2!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.575 4.859 -19.357 1.00 52.34 N ATOM 2 CA ALA A 1 8.487 4.715 -18.370 1.00 41.24 C ATOM 3 C ALA A 1 8.344 3.257 -17.959 1.00 44.11 C ATOM 4 O ALA A 1 9.042 2.387 -18.483 1.00 2.20 O ATOM 5 CB ALA A 1 7.179 5.242 -18.942 1.00 14.54 C ATOM 0 H1 ALA A 1 10.356 5.401 -18.936 1.00 52.34 H new ATOM 0 H2 ALA A 1 9.917 3.917 -19.636 1.00 52.34 H new ATOM 0 H3 ALA A 1 9.219 5.360 -20.196 1.00 52.34 H new ATOM 0 HA ALA A 1 8.734 5.302 -17.486 1.00 41.24 H new ATOM 0 HB1 ALA A 1 6.387 5.129 -18.202 1.00 14.54 H new ATOM 0 HB2 ALA A 1 7.291 6.296 -19.195 1.00 14.54 H new ATOM 0 HB3 ALA A 1 6.921 4.679 -19.839 1.00 14.54 H new ATOM 13 N GLY A 2 7.446 2.994 -17.024 1.00 54.20 N ATOM 14 CA GLY A 2 7.282 1.653 -16.505 1.00 41.41 C ATOM 15 C GLY A 2 7.692 1.575 -15.052 1.00 61.33 C ATOM 16 O GLY A 2 8.252 2.534 -14.509 1.00 62.54 O ATOM 0 H GLY A 2 6.824 3.690 -16.613 1.00 54.20 H new ATOM 0 HA2 GLY A 2 6.242 1.345 -16.609 1.00 41.41 H new ATOM 0 HA3 GLY A 2 7.881 0.957 -17.092 1.00 41.41 H new ATOM 20 N GLU A 3 7.420 0.448 -14.418 1.00 54.42 N ATOM 21 CA GLU A 3 7.707 0.273 -13.022 1.00 30.41 C ATOM 22 C GLU A 3 9.113 -0.270 -12.806 1.00 63.11 C ATOM 23 O GLU A 3 9.627 -1.050 -13.611 1.00 65.04 O ATOM 24 CB GLU A 3 6.662 -0.654 -12.426 1.00 53.31 C ATOM 25 CG GLU A 3 5.307 0.010 -12.263 1.00 1.12 C ATOM 26 CD GLU A 3 4.315 -0.849 -11.513 1.00 52.35 C ATOM 27 OE1 GLU A 3 4.389 -0.889 -10.270 1.00 11.02 O ATOM 28 OE2 GLU A 3 3.450 -1.476 -12.157 1.00 41.24 O ATOM 0 H GLU A 3 6.995 -0.365 -14.864 1.00 54.42 H new ATOM 0 HA GLU A 3 7.666 1.240 -12.521 1.00 30.41 H new ATOM 0 HB2 GLU A 3 6.556 -1.532 -13.064 1.00 53.31 H new ATOM 0 HB3 GLU A 3 7.008 -1.006 -11.454 1.00 53.31 H new ATOM 0 HG2 GLU A 3 5.433 0.955 -11.735 1.00 1.12 H new ATOM 0 HG3 GLU A 3 4.903 0.246 -13.248 1.00 1.12 H new ATOM 35 N ILE A 4 9.732 0.159 -11.720 1.00 74.20 N ATOM 36 CA ILE A 4 11.095 -0.246 -11.414 1.00 1.24 C ATOM 37 C ILE A 4 11.084 -1.582 -10.671 1.00 71.23 C ATOM 38 O ILE A 4 10.068 -1.972 -10.095 1.00 24.54 O ATOM 39 CB ILE A 4 11.845 0.816 -10.569 1.00 23.21 C ATOM 40 CG1 ILE A 4 11.550 2.237 -11.072 1.00 4.11 C ATOM 41 CG2 ILE A 4 13.348 0.570 -10.605 1.00 3.31 C ATOM 42 CD1 ILE A 4 10.407 2.932 -10.356 1.00 72.33 C ATOM 0 H ILE A 4 9.313 0.788 -11.035 1.00 74.20 H new ATOM 0 HA ILE A 4 11.626 -0.349 -12.360 1.00 1.24 H new ATOM 0 HB ILE A 4 11.489 0.726 -9.543 1.00 23.21 H new ATOM 0 HG12 ILE A 4 12.451 2.841 -10.965 1.00 4.11 H new ATOM 0 HG13 ILE A 4 11.322 2.192 -12.137 1.00 4.11 H new ATOM 0 HG21 ILE A 4 13.855 1.326 -10.006 1.00 3.31 H new ATOM 0 HG22 ILE A 4 13.565 -0.419 -10.200 1.00 3.31 H new ATOM 0 HG23 ILE A 4 13.701 0.626 -11.635 1.00 3.31 H new ATOM 0 HD11 ILE A 4 10.268 3.929 -10.774 1.00 72.33 H new ATOM 0 HD12 ILE A 4 9.492 2.354 -10.484 1.00 72.33 H new ATOM 0 HD13 ILE A 4 10.639 3.013 -9.294 1.00 72.33 H new ATOM 54 N GLY A 5 12.210 -2.279 -10.692 1.00 52.45 N ATOM 55 CA GLY A 5 12.284 -3.597 -10.092 1.00 51.34 C ATOM 56 C GLY A 5 12.600 -3.557 -8.611 1.00 0.55 C ATOM 57 O GLY A 5 12.239 -4.475 -7.878 1.00 62.21 O ATOM 0 H GLY A 5 13.079 -1.954 -11.116 1.00 52.45 H new ATOM 0 HA2 GLY A 5 11.335 -4.112 -10.241 1.00 51.34 H new ATOM 0 HA3 GLY A 5 13.048 -4.181 -10.605 1.00 51.34 H new ATOM 61 N PHE A 6 13.247 -2.475 -8.176 1.00 14.44 N ATOM 62 CA PHE A 6 13.658 -2.296 -6.797 1.00 13.10 C ATOM 63 C PHE A 6 14.599 -3.409 -6.335 1.00 35.53 C ATOM 64 O PHE A 6 15.110 -4.184 -7.149 1.00 14.15 O ATOM 65 CB PHE A 6 12.423 -2.219 -5.921 1.00 15.14 C ATOM 66 CG PHE A 6 11.706 -0.899 -5.994 1.00 64.15 C ATOM 67 CD1 PHE A 6 10.817 -0.633 -7.024 1.00 35.45 C ATOM 68 CD2 PHE A 6 11.924 0.077 -5.032 1.00 11.43 C ATOM 69 CE1 PHE A 6 10.161 0.582 -7.094 1.00 15.22 C ATOM 70 CE2 PHE A 6 11.271 1.290 -5.098 1.00 24.12 C ATOM 71 CZ PHE A 6 10.388 1.544 -6.129 1.00 25.34 C ATOM 0 H PHE A 6 13.499 -1.695 -8.783 1.00 14.44 H new ATOM 0 HA PHE A 6 14.219 -1.365 -6.714 1.00 13.10 H new ATOM 0 HB2 PHE A 6 11.734 -3.012 -6.211 1.00 15.14 H new ATOM 0 HB3 PHE A 6 12.711 -2.409 -4.887 1.00 15.14 H new ATOM 0 HD1 PHE A 6 10.635 -1.383 -7.780 1.00 35.45 H new ATOM 0 HD2 PHE A 6 12.613 -0.115 -4.223 1.00 11.43 H new ATOM 0 HE1 PHE A 6 9.472 0.779 -7.902 1.00 15.22 H new ATOM 0 HE2 PHE A 6 11.450 2.041 -4.343 1.00 24.12 H new ATOM 0 HZ PHE A 6 9.876 2.493 -6.181 1.00 25.34 H new ATOM 81 N ILE A 7 14.870 -3.445 -5.036 1.00 53.42 N ATOM 82 CA ILE A 7 15.694 -4.500 -4.451 1.00 52.24 C ATOM 83 C ILE A 7 14.963 -5.836 -4.553 1.00 51.14 C ATOM 84 O ILE A 7 15.402 -6.749 -5.258 1.00 64.14 O ATOM 85 CB ILE A 7 16.035 -4.201 -2.975 1.00 54.13 C ATOM 86 CG1 ILE A 7 16.691 -2.822 -2.844 1.00 61.42 C ATOM 87 CG2 ILE A 7 16.948 -5.283 -2.411 1.00 34.11 C ATOM 88 CD1 ILE A 7 16.972 -2.422 -1.413 1.00 13.44 C ATOM 0 H ILE A 7 14.531 -2.755 -4.365 1.00 53.42 H new ATOM 0 HA ILE A 7 16.630 -4.546 -5.007 1.00 52.24 H new ATOM 0 HB ILE A 7 15.109 -4.197 -2.400 1.00 54.13 H new ATOM 0 HG12 ILE A 7 17.626 -2.818 -3.404 1.00 61.42 H new ATOM 0 HG13 ILE A 7 16.042 -2.075 -3.301 1.00 61.42 H new ATOM 0 HG21 ILE A 7 17.179 -5.058 -1.370 1.00 34.11 H new ATOM 0 HG22 ILE A 7 16.447 -6.249 -2.471 1.00 34.11 H new ATOM 0 HG23 ILE A 7 17.872 -5.317 -2.989 1.00 34.11 H new ATOM 0 HD11 ILE A 7 17.436 -1.436 -1.395 1.00 13.44 H new ATOM 0 HD12 ILE A 7 16.037 -2.393 -0.853 1.00 13.44 H new ATOM 0 HD13 ILE A 7 17.645 -3.148 -0.958 1.00 13.44 H new ATOM 100 N ILE A 8 13.841 -5.940 -3.854 1.00 64.12 N ATOM 101 CA ILE A 8 12.962 -7.084 -4.000 1.00 32.05 C ATOM 102 C ILE A 8 12.143 -6.929 -5.269 1.00 63.55 C ATOM 103 O ILE A 8 11.415 -5.947 -5.438 1.00 72.03 O ATOM 104 CB ILE A 8 12.020 -7.249 -2.787 1.00 1.50 C ATOM 105 CG1 ILE A 8 12.835 -7.567 -1.534 1.00 4.22 C ATOM 106 CG2 ILE A 8 10.993 -8.347 -3.045 1.00 14.11 C ATOM 107 CD1 ILE A 8 11.998 -7.688 -0.277 1.00 44.34 C ATOM 0 H ILE A 8 13.521 -5.244 -3.181 1.00 64.12 H new ATOM 0 HA ILE A 8 13.582 -7.979 -4.057 1.00 32.05 H new ATOM 0 HB ILE A 8 11.484 -6.312 -2.634 1.00 1.50 H new ATOM 0 HG12 ILE A 8 13.376 -8.500 -1.691 1.00 4.22 H new ATOM 0 HG13 ILE A 8 13.581 -6.786 -1.389 1.00 4.22 H new ATOM 0 HG21 ILE A 8 10.340 -8.446 -2.178 1.00 14.11 H new ATOM 0 HG22 ILE A 8 10.397 -8.089 -3.920 1.00 14.11 H new ATOM 0 HG23 ILE A 8 11.507 -9.292 -3.222 1.00 14.11 H new ATOM 0 HD11 ILE A 8 12.645 -7.915 0.570 1.00 44.34 H new ATOM 0 HD12 ILE A 8 11.477 -6.748 -0.095 1.00 44.34 H new ATOM 0 HD13 ILE A 8 11.269 -8.489 -0.401 1.00 44.34 H new ATOM 119 N LYS A 9 12.283 -7.892 -6.157 1.00 13.44 N ATOM 120 CA LYS A 9 11.616 -7.848 -7.448 1.00 21.33 C ATOM 121 C LYS A 9 10.156 -8.266 -7.319 1.00 32.23 C ATOM 122 O LYS A 9 9.661 -8.503 -6.214 1.00 2.34 O ATOM 123 CB LYS A 9 12.342 -8.769 -8.427 1.00 75.13 C ATOM 124 CG LYS A 9 12.335 -10.227 -7.998 1.00 14.30 C ATOM 125 CD LYS A 9 13.098 -11.103 -8.974 1.00 1.40 C ATOM 126 CE LYS A 9 13.016 -12.566 -8.578 1.00 51.45 C ATOM 127 NZ LYS A 9 13.874 -13.426 -9.431 1.00 3.12 N ATOM 0 H LYS A 9 12.857 -8.722 -6.009 1.00 13.44 H new ATOM 0 HA LYS A 9 11.643 -6.825 -7.822 1.00 21.33 H new ATOM 0 HB2 LYS A 9 11.876 -8.684 -9.409 1.00 75.13 H new ATOM 0 HB3 LYS A 9 13.374 -8.434 -8.534 1.00 75.13 H new ATOM 0 HG2 LYS A 9 12.778 -10.317 -7.006 1.00 14.30 H new ATOM 0 HG3 LYS A 9 11.306 -10.579 -7.921 1.00 14.30 H new ATOM 0 HD2 LYS A 9 12.693 -10.972 -9.978 1.00 1.40 H new ATOM 0 HD3 LYS A 9 14.142 -10.791 -9.008 1.00 1.40 H new ATOM 0 HE2 LYS A 9 13.316 -12.676 -7.536 1.00 51.45 H new ATOM 0 HE3 LYS A 9 11.982 -12.903 -8.649 1.00 51.45 H new ATOM 0 HZ1 LYS A 9 13.787 -14.416 -9.125 1.00 3.12 H new ATOM 0 HZ2 LYS A 9 13.572 -13.342 -10.423 1.00 3.12 H new ATOM 0 HZ3 LYS A 9 14.865 -13.123 -9.344 1.00 3.12 H new ATOM 141 N GLU A 10 9.470 -8.346 -8.450 1.00 63.13 N ATOM 142 CA GLU A 10 8.093 -8.794 -8.484 1.00 41.13 C ATOM 143 C GLU A 10 8.007 -10.287 -8.173 1.00 14.03 C ATOM 144 O GLU A 10 9.027 -10.973 -8.057 1.00 61.45 O ATOM 145 CB GLU A 10 7.514 -8.514 -9.864 1.00 61.11 C ATOM 146 CG GLU A 10 7.458 -7.038 -10.211 1.00 51.21 C ATOM 147 CD GLU A 10 7.170 -6.809 -11.676 1.00 10.43 C ATOM 148 OE1 GLU A 10 8.131 -6.774 -12.471 1.00 3.11 O ATOM 149 OE2 GLU A 10 5.984 -6.676 -12.041 1.00 44.12 O ATOM 0 H GLU A 10 9.853 -8.103 -9.363 1.00 63.13 H new ATOM 0 HA GLU A 10 7.521 -8.255 -7.728 1.00 41.13 H new ATOM 0 HB2 GLU A 10 8.114 -9.032 -10.612 1.00 61.11 H new ATOM 0 HB3 GLU A 10 6.508 -8.930 -9.918 1.00 61.11 H new ATOM 0 HG2 GLU A 10 6.688 -6.554 -9.611 1.00 51.21 H new ATOM 0 HG3 GLU A 10 8.407 -6.569 -9.951 1.00 51.21 H new ATOM 156 N GLY A 11 6.793 -10.793 -8.036 1.00 32.22 N ATOM 157 CA GLY A 11 6.629 -12.198 -7.766 1.00 71.51 C ATOM 158 C GLY A 11 5.187 -12.587 -7.561 1.00 21.45 C ATOM 159 O GLY A 11 4.273 -11.855 -7.938 1.00 3.54 O ATOM 0 H GLY A 11 5.927 -10.259 -8.107 1.00 32.22 H new ATOM 0 HA2 GLY A 11 7.042 -12.774 -8.594 1.00 71.51 H new ATOM 0 HA3 GLY A 11 7.202 -12.462 -6.877 1.00 71.51 H new ATOM 163 N ASP A 12 4.992 -13.742 -6.956 1.00 3.15 N ATOM 164 CA ASP A 12 3.660 -14.279 -6.722 1.00 34.41 C ATOM 165 C ASP A 12 3.331 -14.158 -5.251 1.00 1.33 C ATOM 166 O ASP A 12 2.174 -14.185 -4.845 1.00 71.44 O ATOM 167 CB ASP A 12 3.600 -15.743 -7.152 1.00 34.01 C ATOM 168 CG ASP A 12 4.150 -15.952 -8.544 1.00 45.40 C ATOM 169 OD1 ASP A 12 3.438 -15.656 -9.524 1.00 64.25 O ATOM 170 OD2 ASP A 12 5.310 -16.400 -8.666 1.00 62.25 O ATOM 0 H ASP A 12 5.747 -14.335 -6.613 1.00 3.15 H new ATOM 0 HA ASP A 12 2.933 -13.716 -7.308 1.00 34.41 H new ATOM 0 HB2 ASP A 12 4.165 -16.351 -6.445 1.00 34.01 H new ATOM 0 HB3 ASP A 12 2.567 -16.089 -7.116 1.00 34.01 H new ATOM 175 N GLU A 13 4.379 -14.024 -4.465 1.00 5.15 N ATOM 176 CA GLU A 13 4.272 -13.844 -3.029 1.00 71.03 C ATOM 177 C GLU A 13 4.514 -12.379 -2.690 1.00 53.12 C ATOM 178 O GLU A 13 4.400 -11.957 -1.541 1.00 12.03 O ATOM 179 CB GLU A 13 5.287 -14.744 -2.298 1.00 11.23 C ATOM 180 CG GLU A 13 6.748 -14.489 -2.672 1.00 42.24 C ATOM 181 CD GLU A 13 7.080 -14.877 -4.104 1.00 3.22 C ATOM 182 OE1 GLU A 13 7.385 -16.061 -4.353 1.00 5.52 O ATOM 183 OE2 GLU A 13 7.020 -14.003 -4.994 1.00 72.20 O ATOM 0 H GLU A 13 5.340 -14.037 -4.807 1.00 5.15 H new ATOM 0 HA GLU A 13 3.272 -14.129 -2.701 1.00 71.03 H new ATOM 0 HB2 GLU A 13 5.171 -14.603 -1.224 1.00 11.23 H new ATOM 0 HB3 GLU A 13 5.048 -15.786 -2.510 1.00 11.23 H new ATOM 0 HG2 GLU A 13 6.973 -13.432 -2.528 1.00 42.24 H new ATOM 0 HG3 GLU A 13 7.392 -15.048 -1.993 1.00 42.24 H new ATOM 190 N VAL A 14 4.846 -11.609 -3.715 1.00 33.04 N ATOM 191 CA VAL A 14 5.123 -10.194 -3.556 1.00 4.31 C ATOM 192 C VAL A 14 3.928 -9.361 -4.003 1.00 55.01 C ATOM 193 O VAL A 14 3.416 -9.526 -5.113 1.00 44.52 O ATOM 194 CB VAL A 14 6.373 -9.774 -4.364 1.00 51.20 C ATOM 195 CG1 VAL A 14 6.696 -8.302 -4.148 1.00 42.12 C ATOM 196 CG2 VAL A 14 7.569 -10.641 -4.000 1.00 50.51 C ATOM 0 H VAL A 14 4.930 -11.947 -4.674 1.00 33.04 H new ATOM 0 HA VAL A 14 5.314 -10.014 -2.498 1.00 4.31 H new ATOM 0 HB VAL A 14 6.151 -9.921 -5.421 1.00 51.20 H new ATOM 0 HG11 VAL A 14 7.579 -8.034 -4.728 1.00 42.12 H new ATOM 0 HG12 VAL A 14 5.852 -7.693 -4.471 1.00 42.12 H new ATOM 0 HG13 VAL A 14 6.889 -8.123 -3.090 1.00 42.12 H new ATOM 0 HG21 VAL A 14 8.436 -10.327 -4.581 1.00 50.51 H new ATOM 0 HG22 VAL A 14 7.786 -10.534 -2.937 1.00 50.51 H new ATOM 0 HG23 VAL A 14 7.343 -11.684 -4.221 1.00 50.51 H new ATOM 206 N ALA A 15 3.475 -8.487 -3.126 1.00 31.44 N ATOM 207 CA ALA A 15 2.420 -7.549 -3.449 1.00 65.04 C ATOM 208 C ALA A 15 2.986 -6.139 -3.475 1.00 50.14 C ATOM 209 O ALA A 15 3.281 -5.558 -2.433 1.00 12.40 O ATOM 210 CB ALA A 15 1.280 -7.654 -2.442 1.00 12.42 C ATOM 0 H ALA A 15 3.827 -8.408 -2.172 1.00 31.44 H new ATOM 0 HA ALA A 15 2.019 -7.789 -4.434 1.00 65.04 H new ATOM 0 HB1 ALA A 15 0.498 -6.941 -2.702 1.00 12.42 H new ATOM 0 HB2 ALA A 15 0.871 -8.664 -2.460 1.00 12.42 H new ATOM 0 HB3 ALA A 15 1.655 -7.432 -1.443 1.00 12.42 H new ATOM 216 N ASP A 16 3.177 -5.604 -4.667 1.00 65.25 N ATOM 217 CA ASP A 16 3.706 -4.264 -4.815 1.00 10.11 C ATOM 218 C ASP A 16 2.575 -3.259 -4.862 1.00 2.11 C ATOM 219 O ASP A 16 1.570 -3.464 -5.541 1.00 3.13 O ATOM 220 CB ASP A 16 4.571 -4.152 -6.070 1.00 31.34 C ATOM 221 CG ASP A 16 3.833 -4.543 -7.335 1.00 44.13 C ATOM 222 OD1 ASP A 16 3.505 -5.736 -7.492 1.00 54.21 O ATOM 223 OD2 ASP A 16 3.578 -3.656 -8.175 1.00 30.51 O ATOM 0 H ASP A 16 2.973 -6.079 -5.546 1.00 65.25 H new ATOM 0 HA ASP A 16 4.335 -4.047 -3.952 1.00 10.11 H new ATOM 0 HB2 ASP A 16 4.930 -3.127 -6.167 1.00 31.34 H new ATOM 0 HB3 ASP A 16 5.449 -4.788 -5.957 1.00 31.34 H new ATOM 228 N VAL A 17 2.740 -2.184 -4.123 1.00 44.50 N ATOM 229 CA VAL A 17 1.710 -1.161 -4.028 1.00 62.20 C ATOM 230 C VAL A 17 2.308 0.220 -4.238 1.00 2.43 C ATOM 231 O VAL A 17 3.406 0.521 -3.765 1.00 5.35 O ATOM 232 CB VAL A 17 0.987 -1.188 -2.659 1.00 54.43 C ATOM 233 CG1 VAL A 17 -0.210 -0.243 -2.653 1.00 52.05 C ATOM 234 CG2 VAL A 17 0.555 -2.604 -2.296 1.00 74.52 C ATOM 0 H VAL A 17 3.579 -1.991 -3.576 1.00 44.50 H new ATOM 0 HA VAL A 17 0.981 -1.377 -4.809 1.00 62.20 H new ATOM 0 HB VAL A 17 1.694 -0.845 -1.904 1.00 54.43 H new ATOM 0 HG11 VAL A 17 -0.699 -0.282 -1.680 1.00 52.05 H new ATOM 0 HG12 VAL A 17 0.129 0.774 -2.849 1.00 52.05 H new ATOM 0 HG13 VAL A 17 -0.916 -0.545 -3.426 1.00 52.05 H new ATOM 0 HG21 VAL A 17 0.050 -2.594 -1.330 1.00 74.52 H new ATOM 0 HG22 VAL A 17 -0.126 -2.983 -3.058 1.00 74.52 H new ATOM 0 HG23 VAL A 17 1.432 -3.249 -2.240 1.00 74.52 H new ATOM 244 N THR A 18 1.581 1.040 -4.961 1.00 34.33 N ATOM 245 CA THR A 18 1.951 2.420 -5.170 1.00 42.52 C ATOM 246 C THR A 18 0.984 3.316 -4.405 1.00 61.05 C ATOM 247 O THR A 18 -0.216 3.330 -4.678 1.00 12.11 O ATOM 248 CB THR A 18 1.933 2.768 -6.669 1.00 73.31 C ATOM 249 OG1 THR A 18 2.791 1.866 -7.386 1.00 62.34 O ATOM 250 CG2 THR A 18 2.387 4.201 -6.910 1.00 15.14 C ATOM 0 H THR A 18 0.713 0.767 -5.422 1.00 34.33 H new ATOM 0 HA THR A 18 2.965 2.579 -4.802 1.00 42.52 H new ATOM 0 HB THR A 18 0.908 2.669 -7.027 1.00 73.31 H new ATOM 0 HG1 THR A 18 2.776 2.089 -8.340 1.00 62.34 H new ATOM 0 HG21 THR A 18 2.363 4.415 -7.978 1.00 15.14 H new ATOM 0 HG22 THR A 18 1.720 4.887 -6.387 1.00 15.14 H new ATOM 0 HG23 THR A 18 3.403 4.328 -6.537 1.00 15.14 H new ATOM 258 N ILE A 19 1.504 4.044 -3.433 1.00 1.04 N ATOM 259 CA ILE A 19 0.665 4.849 -2.562 1.00 0.12 C ATOM 260 C ILE A 19 0.658 6.293 -3.030 1.00 1.42 C ATOM 261 O ILE A 19 1.698 6.836 -3.400 1.00 62.44 O ATOM 262 CB ILE A 19 1.156 4.810 -1.101 1.00 43.40 C ATOM 263 CG1 ILE A 19 1.533 3.383 -0.690 1.00 14.32 C ATOM 264 CG2 ILE A 19 0.091 5.373 -0.169 1.00 71.11 C ATOM 265 CD1 ILE A 19 2.174 3.297 0.681 1.00 22.14 C ATOM 0 H ILE A 19 2.502 4.095 -3.227 1.00 1.04 H new ATOM 0 HA ILE A 19 -0.340 4.430 -2.607 1.00 0.12 H new ATOM 0 HB ILE A 19 2.049 5.431 -1.023 1.00 43.40 H new ATOM 0 HG12 ILE A 19 0.638 2.761 -0.703 1.00 14.32 H new ATOM 0 HG13 ILE A 19 2.219 2.970 -1.429 1.00 14.32 H new ATOM 0 HG21 ILE A 19 0.452 5.339 0.859 1.00 71.11 H new ATOM 0 HG22 ILE A 19 -0.124 6.406 -0.444 1.00 71.11 H new ATOM 0 HG23 ILE A 19 -0.818 4.778 -0.254 1.00 71.11 H new ATOM 0 HD11 ILE A 19 2.414 2.258 0.906 1.00 22.14 H new ATOM 0 HD12 ILE A 19 3.087 3.892 0.694 1.00 22.14 H new ATOM 0 HD13 ILE A 19 1.482 3.680 1.431 1.00 22.14 H new ATOM 277 N PHE A 20 -0.514 6.899 -3.009 1.00 30.44 N ATOM 278 CA PHE A 20 -0.675 8.274 -3.446 1.00 21.13 C ATOM 279 C PHE A 20 -1.179 9.138 -2.302 1.00 44.02 C ATOM 280 O PHE A 20 -2.068 8.729 -1.550 1.00 0.35 O ATOM 281 CB PHE A 20 -1.659 8.370 -4.611 1.00 14.44 C ATOM 282 CG PHE A 20 -1.317 7.502 -5.787 1.00 53.31 C ATOM 283 CD1 PHE A 20 -0.440 7.947 -6.759 1.00 23.32 C ATOM 284 CD2 PHE A 20 -1.880 6.244 -5.921 1.00 71.14 C ATOM 285 CE1 PHE A 20 -0.129 7.154 -7.845 1.00 71.14 C ATOM 286 CE2 PHE A 20 -1.574 5.446 -7.004 1.00 61.44 C ATOM 287 CZ PHE A 20 -0.697 5.900 -7.967 1.00 40.32 C ATOM 0 H PHE A 20 -1.376 6.456 -2.691 1.00 30.44 H new ATOM 0 HA PHE A 20 0.301 8.630 -3.775 1.00 21.13 H new ATOM 0 HB2 PHE A 20 -2.653 8.101 -4.254 1.00 14.44 H new ATOM 0 HB3 PHE A 20 -1.709 9.407 -4.943 1.00 14.44 H new ATOM 0 HD1 PHE A 20 0.007 8.926 -6.667 1.00 23.32 H new ATOM 0 HD2 PHE A 20 -2.566 5.883 -5.169 1.00 71.14 H new ATOM 0 HE1 PHE A 20 0.557 7.513 -8.598 1.00 71.14 H new ATOM 0 HE2 PHE A 20 -2.021 4.467 -7.098 1.00 61.44 H new ATOM 0 HZ PHE A 20 -0.455 5.277 -8.815 1.00 40.32 H new ATOM 297 N ALA A 21 -0.616 10.327 -2.183 1.00 42.53 N ATOM 298 CA ALA A 21 -1.011 11.272 -1.150 1.00 32.40 C ATOM 299 C ALA A 21 -0.566 12.680 -1.529 1.00 0.22 C ATOM 300 O ALA A 21 0.319 12.849 -2.368 1.00 73.51 O ATOM 301 CB ALA A 21 -0.432 10.862 0.197 1.00 31.32 C ATOM 0 H ALA A 21 0.125 10.665 -2.796 1.00 42.53 H new ATOM 0 HA ALA A 21 -2.098 11.267 -1.065 1.00 32.40 H new ATOM 0 HB1 ALA A 21 -0.737 11.580 0.958 1.00 31.32 H new ATOM 0 HB2 ALA A 21 -0.799 9.871 0.465 1.00 31.32 H new ATOM 0 HB3 ALA A 21 0.656 10.841 0.134 1.00 31.32 H new ATOM 307 N GLU A 22 -1.184 13.682 -0.922 1.00 72.01 N ATOM 308 CA GLU A 22 -0.896 15.068 -1.258 1.00 20.21 C ATOM 309 C GLU A 22 0.337 15.583 -0.527 1.00 55.34 C ATOM 310 O GLU A 22 1.194 16.234 -1.125 1.00 35.00 O ATOM 311 CB GLU A 22 -2.106 15.944 -0.939 1.00 11.31 C ATOM 312 CG GLU A 22 -3.324 15.615 -1.783 1.00 23.34 C ATOM 313 CD GLU A 22 -3.095 15.864 -3.261 1.00 51.10 C ATOM 314 OE1 GLU A 22 -3.121 17.040 -3.679 1.00 65.14 O ATOM 315 OE2 GLU A 22 -2.898 14.888 -4.016 1.00 74.03 O ATOM 0 H GLU A 22 -1.888 13.561 -0.194 1.00 72.01 H new ATOM 0 HA GLU A 22 -0.686 15.116 -2.327 1.00 20.21 H new ATOM 0 HB2 GLU A 22 -2.361 15.830 0.115 1.00 11.31 H new ATOM 0 HB3 GLU A 22 -1.839 16.990 -1.091 1.00 11.31 H new ATOM 0 HG2 GLU A 22 -3.594 14.570 -1.632 1.00 23.34 H new ATOM 0 HG3 GLU A 22 -4.169 16.215 -1.444 1.00 23.34 H new ATOM 322 N THR A 23 0.428 15.300 0.764 1.00 52.33 N ATOM 323 CA THR A 23 1.544 15.779 1.559 1.00 14.42 C ATOM 324 C THR A 23 2.498 14.643 1.907 1.00 15.15 C ATOM 325 O THR A 23 2.087 13.486 2.002 1.00 1.21 O ATOM 326 CB THR A 23 1.064 16.467 2.851 1.00 31.43 C ATOM 327 OG1 THR A 23 0.164 15.611 3.565 1.00 74.02 O ATOM 328 CG2 THR A 23 0.372 17.787 2.540 1.00 73.30 C ATOM 0 H THR A 23 -0.254 14.744 1.279 1.00 52.33 H new ATOM 0 HA THR A 23 2.074 16.513 0.953 1.00 14.42 H new ATOM 0 HB THR A 23 1.939 16.668 3.469 1.00 31.43 H new ATOM 0 HG1 THR A 23 -0.132 16.059 4.385 1.00 74.02 H new ATOM 0 HG21 THR A 23 0.043 18.253 3.469 1.00 73.30 H new ATOM 0 HG22 THR A 23 1.068 18.451 2.028 1.00 73.30 H new ATOM 0 HG23 THR A 23 -0.491 17.603 1.900 1.00 73.30 H new ATOM 336 N LYS A 24 3.767 14.984 2.095 1.00 75.13 N ATOM 337 CA LYS A 24 4.801 14.003 2.413 1.00 52.31 C ATOM 338 C LYS A 24 4.481 13.299 3.731 1.00 52.24 C ATOM 339 O LYS A 24 4.748 12.107 3.892 1.00 72.13 O ATOM 340 CB LYS A 24 6.162 14.709 2.475 1.00 31.54 C ATOM 341 CG LYS A 24 7.363 13.777 2.504 1.00 65.11 C ATOM 342 CD LYS A 24 7.843 13.516 3.922 1.00 10.33 C ATOM 343 CE LYS A 24 9.122 12.697 3.935 1.00 61.24 C ATOM 344 NZ LYS A 24 9.693 12.593 5.303 1.00 33.33 N ATOM 0 H LYS A 24 4.109 15.943 2.032 1.00 75.13 H new ATOM 0 HA LYS A 24 4.836 13.241 1.635 1.00 52.31 H new ATOM 0 HB2 LYS A 24 6.253 15.369 1.612 1.00 31.54 H new ATOM 0 HB3 LYS A 24 6.188 15.340 3.363 1.00 31.54 H new ATOM 0 HG2 LYS A 24 7.100 12.831 2.030 1.00 65.11 H new ATOM 0 HG3 LYS A 24 8.174 14.212 1.920 1.00 65.11 H new ATOM 0 HD2 LYS A 24 8.012 14.465 4.430 1.00 10.33 H new ATOM 0 HD3 LYS A 24 7.067 12.990 4.479 1.00 10.33 H new ATOM 0 HE2 LYS A 24 8.919 11.698 3.548 1.00 61.24 H new ATOM 0 HE3 LYS A 24 9.854 13.154 3.269 1.00 61.24 H new ATOM 0 HZ1 LYS A 24 10.219 11.700 5.393 1.00 33.33 H new ATOM 0 HZ2 LYS A 24 10.336 13.392 5.472 1.00 33.33 H new ATOM 0 HZ3 LYS A 24 8.924 12.613 6.003 1.00 33.33 H new ATOM 358 N ASP A 25 3.902 14.046 4.662 1.00 41.31 N ATOM 359 CA ASP A 25 3.423 13.482 5.925 1.00 74.42 C ATOM 360 C ASP A 25 2.369 12.415 5.666 1.00 64.22 C ATOM 361 O ASP A 25 2.388 11.344 6.274 1.00 53.23 O ATOM 362 CB ASP A 25 2.828 14.581 6.808 1.00 24.45 C ATOM 363 CG ASP A 25 2.245 14.048 8.106 1.00 25.21 C ATOM 364 OD1 ASP A 25 1.050 13.683 8.123 1.00 34.55 O ATOM 365 OD2 ASP A 25 2.969 14.014 9.124 1.00 0.10 O ATOM 0 H ASP A 25 3.750 15.050 4.569 1.00 41.31 H new ATOM 0 HA ASP A 25 4.271 13.029 6.438 1.00 74.42 H new ATOM 0 HB2 ASP A 25 3.601 15.314 7.037 1.00 24.45 H new ATOM 0 HB3 ASP A 25 2.048 15.103 6.253 1.00 24.45 H new ATOM 370 N ALA A 26 1.453 12.715 4.753 1.00 60.43 N ATOM 371 CA ALA A 26 0.411 11.770 4.379 1.00 41.11 C ATOM 372 C ALA A 26 1.022 10.520 3.757 1.00 10.32 C ATOM 373 O ALA A 26 0.587 9.407 4.047 1.00 43.53 O ATOM 374 CB ALA A 26 -0.584 12.415 3.431 1.00 12.12 C ATOM 0 H ALA A 26 1.412 13.606 4.258 1.00 60.43 H new ATOM 0 HA ALA A 26 -0.125 11.475 5.281 1.00 41.11 H new ATOM 0 HB1 ALA A 26 -1.354 11.691 3.164 1.00 12.12 H new ATOM 0 HB2 ALA A 26 -1.046 13.274 3.918 1.00 12.12 H new ATOM 0 HB3 ALA A 26 -0.067 12.744 2.529 1.00 12.12 H new ATOM 380 N LEU A 27 2.041 10.708 2.918 1.00 61.42 N ATOM 381 CA LEU A 27 2.782 9.586 2.352 1.00 52.24 C ATOM 382 C LEU A 27 3.321 8.686 3.458 1.00 12.03 C ATOM 383 O LEU A 27 3.124 7.471 3.437 1.00 71.33 O ATOM 384 CB LEU A 27 3.946 10.077 1.483 1.00 21.11 C ATOM 385 CG LEU A 27 3.638 10.277 -0.002 1.00 33.21 C ATOM 386 CD1 LEU A 27 3.017 11.641 -0.253 1.00 42.11 C ATOM 387 CD2 LEU A 27 4.901 10.107 -0.827 1.00 72.32 C ATOM 0 H LEU A 27 2.370 11.625 2.617 1.00 61.42 H new ATOM 0 HA LEU A 27 2.092 9.017 1.728 1.00 52.24 H new ATOM 0 HB2 LEU A 27 4.303 11.023 1.890 1.00 21.11 H new ATOM 0 HB3 LEU A 27 4.765 9.363 1.571 1.00 21.11 H new ATOM 0 HG LEU A 27 2.915 9.519 -0.305 1.00 33.21 H new ATOM 0 HD11 LEU A 27 2.809 11.756 -1.317 1.00 42.11 H new ATOM 0 HD12 LEU A 27 2.088 11.727 0.310 1.00 42.11 H new ATOM 0 HD13 LEU A 27 3.709 12.420 0.067 1.00 42.11 H new ATOM 0 HD21 LEU A 27 4.669 10.252 -1.882 1.00 72.32 H new ATOM 0 HD22 LEU A 27 5.642 10.843 -0.514 1.00 72.32 H new ATOM 0 HD23 LEU A 27 5.301 9.104 -0.678 1.00 72.32 H new ATOM 399 N GLU A 28 3.981 9.295 4.436 1.00 14.15 N ATOM 400 CA GLU A 28 4.554 8.565 5.555 1.00 43.34 C ATOM 401 C GLU A 28 3.473 7.909 6.410 1.00 43.34 C ATOM 402 O GLU A 28 3.680 6.826 6.963 1.00 22.15 O ATOM 403 CB GLU A 28 5.408 9.507 6.397 1.00 32.50 C ATOM 404 CG GLU A 28 6.750 9.829 5.763 1.00 72.10 C ATOM 405 CD GLU A 28 7.703 10.515 6.717 1.00 62.31 C ATOM 406 OE1 GLU A 28 7.660 11.760 6.820 1.00 51.35 O ATOM 407 OE2 GLU A 28 8.510 9.815 7.359 1.00 64.45 O ATOM 0 H GLU A 28 4.132 10.303 4.474 1.00 14.15 H new ATOM 0 HA GLU A 28 5.181 7.767 5.159 1.00 43.34 H new ATOM 0 HB2 GLU A 28 4.860 10.435 6.561 1.00 32.50 H new ATOM 0 HB3 GLU A 28 5.575 9.058 7.376 1.00 32.50 H new ATOM 0 HG2 GLU A 28 7.206 8.907 5.402 1.00 72.10 H new ATOM 0 HG3 GLU A 28 6.592 10.468 4.894 1.00 72.10 H new ATOM 414 N SER A 29 2.323 8.561 6.514 1.00 2.04 N ATOM 415 CA SER A 29 1.210 8.032 7.284 1.00 5.32 C ATOM 416 C SER A 29 0.594 6.820 6.591 1.00 34.03 C ATOM 417 O SER A 29 0.415 5.767 7.208 1.00 21.34 O ATOM 418 CB SER A 29 0.155 9.118 7.485 1.00 54.13 C ATOM 419 OG SER A 29 0.684 10.210 8.221 1.00 31.40 O ATOM 0 H SER A 29 2.138 9.461 6.072 1.00 2.04 H new ATOM 0 HA SER A 29 1.585 7.712 8.256 1.00 5.32 H new ATOM 0 HB2 SER A 29 -0.202 9.467 6.516 1.00 54.13 H new ATOM 0 HB3 SER A 29 -0.704 8.702 8.011 1.00 54.13 H new ATOM 0 HG SER A 29 1.324 10.701 7.664 1.00 31.40 H new ATOM 425 N GLU A 30 0.291 6.968 5.304 1.00 71.15 N ATOM 426 CA GLU A 30 -0.291 5.902 4.523 1.00 1.34 C ATOM 427 C GLU A 30 0.644 4.702 4.466 1.00 13.31 C ATOM 428 O GLU A 30 0.213 3.561 4.603 1.00 3.31 O ATOM 429 CB GLU A 30 -0.578 6.417 3.121 1.00 5.44 C ATOM 430 CG GLU A 30 -1.741 7.394 3.047 1.00 60.13 C ATOM 431 CD GLU A 30 -3.049 6.782 3.514 1.00 3.53 C ATOM 432 OE1 GLU A 30 -3.716 6.101 2.705 1.00 72.22 O ATOM 433 OE2 GLU A 30 -3.426 6.999 4.685 1.00 2.22 O ATOM 0 H GLU A 30 0.445 7.831 4.783 1.00 71.15 H new ATOM 0 HA GLU A 30 -1.220 5.578 4.992 1.00 1.34 H new ATOM 0 HB2 GLU A 30 0.317 6.904 2.733 1.00 5.44 H new ATOM 0 HB3 GLU A 30 -0.787 5.569 2.469 1.00 5.44 H new ATOM 0 HG2 GLU A 30 -1.515 8.269 3.657 1.00 60.13 H new ATOM 0 HG3 GLU A 30 -1.853 7.742 2.020 1.00 60.13 H new ATOM 440 N LEU A 31 1.930 4.977 4.287 1.00 21.53 N ATOM 441 CA LEU A 31 2.941 3.928 4.237 1.00 1.02 C ATOM 442 C LEU A 31 2.921 3.130 5.524 1.00 32.35 C ATOM 443 O LEU A 31 2.845 1.901 5.508 1.00 12.03 O ATOM 444 CB LEU A 31 4.328 4.538 4.048 1.00 50.23 C ATOM 445 CG LEU A 31 5.469 3.530 3.907 1.00 12.53 C ATOM 446 CD1 LEU A 31 5.310 2.701 2.642 1.00 41.21 C ATOM 447 CD2 LEU A 31 6.811 4.243 3.922 1.00 2.12 C ATOM 0 H LEU A 31 2.299 5.921 4.174 1.00 21.53 H new ATOM 0 HA LEU A 31 2.718 3.272 3.395 1.00 1.02 H new ATOM 0 HB2 LEU A 31 4.311 5.170 3.160 1.00 50.23 H new ATOM 0 HB3 LEU A 31 4.541 5.187 4.898 1.00 50.23 H new ATOM 0 HG LEU A 31 5.431 2.850 4.758 1.00 12.53 H new ATOM 0 HD11 LEU A 31 6.134 1.992 2.566 1.00 41.21 H new ATOM 0 HD12 LEU A 31 4.366 2.157 2.680 1.00 41.21 H new ATOM 0 HD13 LEU A 31 5.315 3.359 1.773 1.00 41.21 H new ATOM 0 HD21 LEU A 31 7.613 3.512 3.821 1.00 2.12 H new ATOM 0 HD22 LEU A 31 6.857 4.949 3.093 1.00 2.12 H new ATOM 0 HD23 LEU A 31 6.927 4.780 4.863 1.00 2.12 H new ATOM 459 N ALA A 32 2.982 3.854 6.632 1.00 33.10 N ATOM 460 CA ALA A 32 2.947 3.252 7.957 1.00 42.42 C ATOM 461 C ALA A 32 1.762 2.304 8.095 1.00 4.03 C ATOM 462 O ALA A 32 1.931 1.151 8.478 1.00 73.11 O ATOM 463 CB ALA A 32 2.889 4.334 9.025 1.00 61.01 C ATOM 0 H ALA A 32 3.057 4.871 6.638 1.00 33.10 H new ATOM 0 HA ALA A 32 3.860 2.672 8.093 1.00 42.42 H new ATOM 0 HB1 ALA A 32 2.863 3.871 10.011 1.00 61.01 H new ATOM 0 HB2 ALA A 32 3.770 4.971 8.946 1.00 61.01 H new ATOM 0 HB3 ALA A 32 1.992 4.937 8.884 1.00 61.01 H new ATOM 469 N LYS A 33 0.577 2.789 7.738 1.00 53.25 N ATOM 470 CA LYS A 33 -0.653 2.014 7.857 1.00 72.12 C ATOM 471 C LYS A 33 -0.618 0.765 6.990 1.00 32.41 C ATOM 472 O LYS A 33 -1.085 -0.296 7.398 1.00 30.33 O ATOM 473 CB LYS A 33 -1.846 2.876 7.447 1.00 52.31 C ATOM 474 CG LYS A 33 -2.200 3.970 8.440 1.00 45.50 C ATOM 475 CD LYS A 33 -2.809 3.395 9.706 1.00 23.04 C ATOM 476 CE LYS A 33 -3.411 4.488 10.574 1.00 52.25 C ATOM 477 NZ LYS A 33 -4.089 3.936 11.774 1.00 33.42 N ATOM 0 H LYS A 33 0.442 3.727 7.360 1.00 53.25 H new ATOM 0 HA LYS A 33 -0.750 1.704 8.897 1.00 72.12 H new ATOM 0 HB2 LYS A 33 -1.633 3.334 6.481 1.00 52.31 H new ATOM 0 HB3 LYS A 33 -2.714 2.232 7.310 1.00 52.31 H new ATOM 0 HG2 LYS A 33 -1.305 4.539 8.691 1.00 45.50 H new ATOM 0 HG3 LYS A 33 -2.902 4.667 7.981 1.00 45.50 H new ATOM 0 HD2 LYS A 33 -3.579 2.669 9.445 1.00 23.04 H new ATOM 0 HD3 LYS A 33 -2.045 2.860 10.269 1.00 23.04 H new ATOM 0 HE2 LYS A 33 -2.626 5.177 10.886 1.00 52.25 H new ATOM 0 HE3 LYS A 33 -4.126 5.065 9.987 1.00 52.25 H new ATOM 0 HZ1 LYS A 33 -4.485 4.715 12.338 1.00 33.42 H new ATOM 0 HZ2 LYS A 33 -4.855 3.299 11.477 1.00 33.42 H new ATOM 0 HZ3 LYS A 33 -3.402 3.407 12.349 1.00 33.42 H new ATOM 491 N TYR A 34 -0.066 0.891 5.798 1.00 63.42 N ATOM 492 CA TYR A 34 -0.038 -0.221 4.858 1.00 65.44 C ATOM 493 C TYR A 34 0.991 -1.259 5.295 1.00 30.45 C ATOM 494 O TYR A 34 0.811 -2.455 5.068 1.00 32.40 O ATOM 495 CB TYR A 34 0.245 0.280 3.435 1.00 4.31 C ATOM 496 CG TYR A 34 -0.841 1.185 2.869 1.00 40.33 C ATOM 497 CD1 TYR A 34 -1.907 1.614 3.655 1.00 1.53 C ATOM 498 CD2 TYR A 34 -0.786 1.626 1.554 1.00 23.23 C ATOM 499 CE1 TYR A 34 -2.880 2.454 3.149 1.00 14.33 C ATOM 500 CE2 TYR A 34 -1.760 2.462 1.039 1.00 3.53 C ATOM 501 CZ TYR A 34 -2.801 2.876 1.842 1.00 55.14 C ATOM 502 OH TYR A 34 -3.762 3.720 1.337 1.00 31.13 O ATOM 0 H TYR A 34 0.369 1.748 5.456 1.00 63.42 H new ATOM 0 HA TYR A 34 -1.018 -0.699 4.852 1.00 65.44 H new ATOM 0 HB2 TYR A 34 1.192 0.821 3.433 1.00 4.31 H new ATOM 0 HB3 TYR A 34 0.367 -0.580 2.776 1.00 4.31 H new ATOM 0 HD1 TYR A 34 -1.975 1.283 4.681 1.00 1.53 H new ATOM 0 HD2 TYR A 34 0.031 1.311 0.922 1.00 23.23 H new ATOM 0 HE1 TYR A 34 -3.698 2.778 3.776 1.00 14.33 H new ATOM 0 HE2 TYR A 34 -1.705 2.789 0.011 1.00 3.53 H new ATOM 0 HH TYR A 34 -3.743 4.568 1.828 1.00 31.13 H new ATOM 512 N ILE A 35 2.058 -0.799 5.942 1.00 5.54 N ATOM 513 CA ILE A 35 3.034 -1.704 6.543 1.00 41.13 C ATOM 514 C ILE A 35 2.415 -2.392 7.757 1.00 64.13 C ATOM 515 O ILE A 35 2.650 -3.576 8.011 1.00 74.14 O ATOM 516 CB ILE A 35 4.329 -0.965 6.961 1.00 15.23 C ATOM 517 CG1 ILE A 35 5.002 -0.338 5.737 1.00 14.15 C ATOM 518 CG2 ILE A 35 5.289 -1.918 7.664 1.00 73.03 C ATOM 519 CD1 ILE A 35 6.251 0.451 6.069 1.00 3.02 C ATOM 0 H ILE A 35 2.269 0.192 6.064 1.00 5.54 H new ATOM 0 HA ILE A 35 3.307 -2.446 5.792 1.00 41.13 H new ATOM 0 HB ILE A 35 4.062 -0.171 7.658 1.00 15.23 H new ATOM 0 HG12 ILE A 35 5.258 -1.127 5.030 1.00 14.15 H new ATOM 0 HG13 ILE A 35 4.290 0.319 5.238 1.00 14.15 H new ATOM 0 HG21 ILE A 35 6.193 -1.379 7.950 1.00 73.03 H new ATOM 0 HG22 ILE A 35 4.811 -2.324 8.556 1.00 73.03 H new ATOM 0 HG23 ILE A 35 5.551 -2.734 6.990 1.00 73.03 H new ATOM 0 HD11 ILE A 35 6.673 0.866 5.154 1.00 3.02 H new ATOM 0 HD12 ILE A 35 5.998 1.262 6.752 1.00 3.02 H new ATOM 0 HD13 ILE A 35 6.982 -0.206 6.541 1.00 3.02 H new ATOM 531 N GLU A 36 1.606 -1.642 8.495 1.00 40.22 N ATOM 532 CA GLU A 36 0.871 -2.171 9.623 1.00 74.13 C ATOM 533 C GLU A 36 -0.121 -3.238 9.160 1.00 23.13 C ATOM 534 O GLU A 36 -0.290 -4.273 9.805 1.00 3.21 O ATOM 535 CB GLU A 36 0.147 -1.027 10.333 1.00 51.45 C ATOM 536 CG GLU A 36 1.075 -0.058 11.058 1.00 53.23 C ATOM 537 CD GLU A 36 2.023 -0.742 12.022 1.00 14.41 C ATOM 538 OE1 GLU A 36 1.604 -1.061 13.158 1.00 31.44 O ATOM 539 OE2 GLU A 36 3.200 -0.948 11.657 1.00 44.52 O ATOM 0 H GLU A 36 1.445 -0.650 8.323 1.00 40.22 H new ATOM 0 HA GLU A 36 1.564 -2.641 10.321 1.00 74.13 H new ATOM 0 HB2 GLU A 36 -0.440 -0.472 9.601 1.00 51.45 H new ATOM 0 HB3 GLU A 36 -0.556 -1.447 11.052 1.00 51.45 H new ATOM 0 HG2 GLU A 36 1.656 0.498 10.322 1.00 53.23 H new ATOM 0 HG3 GLU A 36 0.474 0.669 11.605 1.00 53.23 H new ATOM 546 N LEU A 37 -0.772 -2.969 8.036 1.00 75.43 N ATOM 547 CA LEU A 37 -1.663 -3.925 7.409 1.00 61.12 C ATOM 548 C LEU A 37 -0.886 -5.181 7.012 1.00 24.40 C ATOM 549 O LEU A 37 -1.381 -6.298 7.155 1.00 43.51 O ATOM 550 CB LEU A 37 -2.314 -3.280 6.180 1.00 73.02 C ATOM 551 CG LEU A 37 -3.710 -3.792 5.823 1.00 74.41 C ATOM 552 CD1 LEU A 37 -4.347 -2.901 4.774 1.00 33.32 C ATOM 553 CD2 LEU A 37 -3.665 -5.225 5.319 1.00 63.41 C ATOM 0 H LEU A 37 -0.695 -2.083 7.537 1.00 75.43 H new ATOM 0 HA LEU A 37 -2.444 -4.215 8.112 1.00 61.12 H new ATOM 0 HB2 LEU A 37 -2.373 -2.204 6.346 1.00 73.02 H new ATOM 0 HB3 LEU A 37 -1.660 -3.435 5.322 1.00 73.02 H new ATOM 0 HG LEU A 37 -4.311 -3.768 6.732 1.00 74.41 H new ATOM 0 HD11 LEU A 37 -5.340 -3.278 4.530 1.00 33.32 H new ATOM 0 HD12 LEU A 37 -4.430 -1.885 5.161 1.00 33.32 H new ATOM 0 HD13 LEU A 37 -3.730 -2.898 3.876 1.00 33.32 H new ATOM 0 HD21 LEU A 37 -4.674 -5.557 5.075 1.00 63.41 H new ATOM 0 HD22 LEU A 37 -3.040 -5.278 4.428 1.00 63.41 H new ATOM 0 HD23 LEU A 37 -3.249 -5.870 6.093 1.00 63.41 H new ATOM 565 N ALA A 38 0.344 -4.990 6.544 1.00 40.33 N ATOM 566 CA ALA A 38 1.180 -6.099 6.102 1.00 0.10 C ATOM 567 C ALA A 38 1.501 -7.031 7.262 1.00 21.35 C ATOM 568 O ALA A 38 1.478 -8.252 7.115 1.00 40.33 O ATOM 569 CB ALA A 38 2.461 -5.586 5.464 1.00 12.44 C ATOM 0 H ALA A 38 0.784 -4.074 6.461 1.00 40.33 H new ATOM 0 HA ALA A 38 0.623 -6.663 5.353 1.00 0.10 H new ATOM 0 HB1 ALA A 38 3.070 -6.430 5.141 1.00 12.44 H new ATOM 0 HB2 ALA A 38 2.215 -4.966 4.602 1.00 12.44 H new ATOM 0 HB3 ALA A 38 3.017 -4.994 6.190 1.00 12.44 H new ATOM 575 N LYS A 39 1.783 -6.445 8.420 1.00 72.12 N ATOM 576 CA LYS A 39 2.047 -7.213 9.634 1.00 65.53 C ATOM 577 C LYS A 39 0.814 -8.012 10.040 1.00 51.44 C ATOM 578 O LYS A 39 0.915 -9.101 10.606 1.00 30.42 O ATOM 579 CB LYS A 39 2.447 -6.270 10.765 1.00 40.11 C ATOM 580 CG LYS A 39 3.705 -5.466 10.478 1.00 63.31 C ATOM 581 CD LYS A 39 3.922 -4.395 11.532 1.00 55.23 C ATOM 582 CE LYS A 39 5.187 -3.594 11.269 1.00 64.45 C ATOM 583 NZ LYS A 39 5.306 -2.432 12.189 1.00 52.53 N ATOM 0 H LYS A 39 1.835 -5.434 8.545 1.00 72.12 H new ATOM 0 HA LYS A 39 2.863 -7.908 9.436 1.00 65.53 H new ATOM 0 HB2 LYS A 39 1.624 -5.582 10.960 1.00 40.11 H new ATOM 0 HB3 LYS A 39 2.598 -6.852 11.674 1.00 40.11 H new ATOM 0 HG2 LYS A 39 4.567 -6.132 10.449 1.00 63.31 H new ATOM 0 HG3 LYS A 39 3.627 -5.002 9.495 1.00 63.31 H new ATOM 0 HD2 LYS A 39 3.064 -3.724 11.550 1.00 55.23 H new ATOM 0 HD3 LYS A 39 3.984 -4.860 12.516 1.00 55.23 H new ATOM 0 HE2 LYS A 39 6.057 -4.240 11.385 1.00 64.45 H new ATOM 0 HE3 LYS A 39 5.187 -3.242 10.237 1.00 64.45 H new ATOM 0 HZ1 LYS A 39 6.293 -2.106 12.211 1.00 52.53 H new ATOM 0 HZ2 LYS A 39 4.694 -1.660 11.855 1.00 52.53 H new ATOM 0 HZ3 LYS A 39 5.014 -2.716 13.146 1.00 52.53 H new ATOM 597 N SER A 40 -0.349 -7.463 9.730 1.00 42.51 N ATOM 598 CA SER A 40 -1.620 -8.104 10.031 1.00 73.51 C ATOM 599 C SER A 40 -1.843 -9.299 9.102 1.00 32.42 C ATOM 600 O SER A 40 -2.649 -10.190 9.388 1.00 53.11 O ATOM 601 CB SER A 40 -2.750 -7.081 9.889 1.00 44.33 C ATOM 602 OG SER A 40 -4.022 -7.648 10.164 1.00 30.21 O ATOM 0 H SER A 40 -0.439 -6.561 9.263 1.00 42.51 H new ATOM 0 HA SER A 40 -1.608 -8.474 11.056 1.00 73.51 H new ATOM 0 HB2 SER A 40 -2.571 -6.247 10.568 1.00 44.33 H new ATOM 0 HB3 SER A 40 -2.746 -6.675 8.877 1.00 44.33 H new ATOM 0 HG SER A 40 -4.715 -6.962 10.064 1.00 30.21 H new ATOM 608 N VAL A 41 -1.134 -9.310 7.981 1.00 25.44 N ATOM 609 CA VAL A 41 -1.241 -10.399 7.026 1.00 43.45 C ATOM 610 C VAL A 41 -0.168 -11.449 7.283 1.00 15.12 C ATOM 611 O VAL A 41 -0.462 -12.644 7.350 1.00 75.40 O ATOM 612 CB VAL A 41 -1.126 -9.890 5.572 1.00 21.01 C ATOM 613 CG1 VAL A 41 -1.246 -11.039 4.582 1.00 24.12 C ATOM 614 CG2 VAL A 41 -2.183 -8.836 5.291 1.00 2.20 C ATOM 0 H VAL A 41 -0.479 -8.576 7.713 1.00 25.44 H new ATOM 0 HA VAL A 41 -2.225 -10.849 7.159 1.00 43.45 H new ATOM 0 HB VAL A 41 -0.142 -9.437 5.450 1.00 21.01 H new ATOM 0 HG11 VAL A 41 -1.162 -10.654 3.566 1.00 24.12 H new ATOM 0 HG12 VAL A 41 -0.450 -11.761 4.764 1.00 24.12 H new ATOM 0 HG13 VAL A 41 -2.213 -11.527 4.706 1.00 24.12 H new ATOM 0 HG21 VAL A 41 -2.087 -8.489 4.262 1.00 2.20 H new ATOM 0 HG22 VAL A 41 -3.174 -9.266 5.438 1.00 2.20 H new ATOM 0 HG23 VAL A 41 -2.048 -7.995 5.971 1.00 2.20 H new ATOM 624 N CYS A 42 1.067 -11.002 7.463 1.00 52.50 N ATOM 625 CA CYS A 42 2.186 -11.905 7.626 1.00 53.50 C ATOM 626 C CYS A 42 3.225 -11.294 8.556 1.00 64.43 C ATOM 627 O CYS A 42 3.500 -10.097 8.496 1.00 74.04 O ATOM 628 CB CYS A 42 2.808 -12.212 6.263 1.00 1.01 C ATOM 629 SG CYS A 42 4.026 -13.539 6.281 1.00 50.14 S ATOM 0 H CYS A 42 1.315 -10.013 7.499 1.00 52.50 H new ATOM 0 HA CYS A 42 1.830 -12.835 8.069 1.00 53.50 H new ATOM 0 HB2 CYS A 42 2.013 -12.475 5.566 1.00 1.01 H new ATOM 0 HB3 CYS A 42 3.281 -11.307 5.881 1.00 1.01 H new ATOM 0 HG CYS A 42 3.448 -14.663 5.975 1.00 50.14 H new ATOM 635 N ALA A 43 3.793 -12.119 9.416 1.00 11.43 N ATOM 636 CA ALA A 43 4.802 -11.667 10.365 1.00 53.13 C ATOM 637 C ALA A 43 6.202 -11.757 9.765 1.00 33.14 C ATOM 638 O ALA A 43 7.171 -11.260 10.341 1.00 23.10 O ATOM 639 CB ALA A 43 4.720 -12.484 11.645 1.00 0.32 C ATOM 0 H ALA A 43 3.573 -13.113 9.479 1.00 11.43 H new ATOM 0 HA ALA A 43 4.605 -10.621 10.599 1.00 53.13 H new ATOM 0 HB1 ALA A 43 5.479 -12.138 12.347 1.00 0.32 H new ATOM 0 HB2 ALA A 43 3.732 -12.365 12.090 1.00 0.32 H new ATOM 0 HB3 ALA A 43 4.890 -13.536 11.417 1.00 0.32 H new ATOM 645 N GLY A 44 6.301 -12.390 8.606 1.00 52.33 N ATOM 646 CA GLY A 44 7.587 -12.542 7.953 1.00 10.02 C ATOM 647 C GLY A 44 7.688 -11.725 6.683 1.00 23.12 C ATOM 648 O GLY A 44 8.514 -12.007 5.814 1.00 3.44 O ATOM 0 H GLY A 44 5.514 -12.802 8.105 1.00 52.33 H new ATOM 0 HA2 GLY A 44 8.378 -12.241 8.640 1.00 10.02 H new ATOM 0 HA3 GLY A 44 7.751 -13.594 7.719 1.00 10.02 H new ATOM 652 N VAL A 45 6.850 -10.702 6.580 1.00 62.31 N ATOM 653 CA VAL A 45 6.808 -9.866 5.391 1.00 54.02 C ATOM 654 C VAL A 45 8.083 -9.032 5.242 1.00 63.42 C ATOM 655 O VAL A 45 8.414 -8.203 6.093 1.00 4.31 O ATOM 656 CB VAL A 45 5.557 -8.945 5.388 1.00 3.31 C ATOM 657 CG1 VAL A 45 5.481 -8.094 6.651 1.00 61.01 C ATOM 658 CG2 VAL A 45 5.532 -8.062 4.144 1.00 62.03 C ATOM 0 H VAL A 45 6.189 -10.432 7.308 1.00 62.31 H new ATOM 0 HA VAL A 45 6.741 -10.537 4.535 1.00 54.02 H new ATOM 0 HB VAL A 45 4.679 -9.591 5.370 1.00 3.31 H new ATOM 0 HG11 VAL A 45 4.593 -7.463 6.612 1.00 61.01 H new ATOM 0 HG12 VAL A 45 5.427 -8.744 7.525 1.00 61.01 H new ATOM 0 HG13 VAL A 45 6.369 -7.466 6.721 1.00 61.01 H new ATOM 0 HG21 VAL A 45 4.646 -7.427 4.166 1.00 62.03 H new ATOM 0 HG22 VAL A 45 6.425 -7.438 4.123 1.00 62.03 H new ATOM 0 HG23 VAL A 45 5.506 -8.689 3.253 1.00 62.03 H new ATOM 668 N GLU A 46 8.813 -9.289 4.168 1.00 1.31 N ATOM 669 CA GLU A 46 9.976 -8.490 3.817 1.00 1.04 C ATOM 670 C GLU A 46 9.528 -7.364 2.907 1.00 2.52 C ATOM 671 O GLU A 46 8.713 -7.581 2.016 1.00 74.33 O ATOM 672 CB GLU A 46 11.028 -9.342 3.105 1.00 54.13 C ATOM 673 CG GLU A 46 11.511 -10.524 3.923 1.00 34.14 C ATOM 674 CD GLU A 46 12.544 -11.353 3.188 1.00 22.02 C ATOM 675 OE1 GLU A 46 13.739 -10.995 3.231 1.00 3.23 O ATOM 676 OE2 GLU A 46 12.173 -12.372 2.566 1.00 14.35 O ATOM 0 H GLU A 46 8.618 -10.052 3.519 1.00 1.31 H new ATOM 0 HA GLU A 46 10.425 -8.089 4.726 1.00 1.04 H new ATOM 0 HB2 GLU A 46 10.612 -9.707 2.166 1.00 54.13 H new ATOM 0 HB3 GLU A 46 11.882 -8.713 2.852 1.00 54.13 H new ATOM 0 HG2 GLU A 46 11.938 -10.164 4.859 1.00 34.14 H new ATOM 0 HG3 GLU A 46 10.661 -11.155 4.182 1.00 34.14 H new ATOM 683 N TYR A 47 10.041 -6.169 3.114 1.00 40.44 N ATOM 684 CA TYR A 47 9.552 -5.037 2.351 1.00 34.11 C ATOM 685 C TYR A 47 10.653 -4.057 1.981 1.00 15.10 C ATOM 686 O TYR A 47 11.702 -3.992 2.627 1.00 10.52 O ATOM 687 CB TYR A 47 8.432 -4.313 3.112 1.00 32.31 C ATOM 688 CG TYR A 47 8.851 -3.714 4.435 1.00 64.54 C ATOM 689 CD1 TYR A 47 8.823 -4.466 5.601 1.00 73.00 C ATOM 690 CD2 TYR A 47 9.269 -2.391 4.514 1.00 33.04 C ATOM 691 CE1 TYR A 47 9.202 -3.918 6.811 1.00 34.34 C ATOM 692 CE2 TYR A 47 9.648 -1.836 5.719 1.00 23.43 C ATOM 693 CZ TYR A 47 9.613 -2.602 6.863 1.00 21.11 C ATOM 694 OH TYR A 47 9.984 -2.052 8.067 1.00 44.42 O ATOM 0 H TYR A 47 10.778 -5.957 3.786 1.00 40.44 H new ATOM 0 HA TYR A 47 9.154 -5.439 1.419 1.00 34.11 H new ATOM 0 HB2 TYR A 47 8.036 -3.519 2.479 1.00 32.31 H new ATOM 0 HB3 TYR A 47 7.618 -5.016 3.289 1.00 32.31 H new ATOM 0 HD1 TYR A 47 8.500 -5.496 5.562 1.00 73.00 H new ATOM 0 HD2 TYR A 47 9.298 -1.788 3.618 1.00 33.04 H new ATOM 0 HE1 TYR A 47 9.177 -4.516 7.710 1.00 34.34 H new ATOM 0 HE2 TYR A 47 9.970 -0.806 5.765 1.00 23.43 H new ATOM 0 HH TYR A 47 10.248 -1.118 7.932 1.00 44.42 H new ATOM 704 N ASN A 48 10.397 -3.319 0.915 1.00 41.11 N ATOM 705 CA ASN A 48 11.244 -2.208 0.505 1.00 70.25 C ATOM 706 C ASN A 48 10.377 -0.993 0.268 1.00 11.53 C ATOM 707 O ASN A 48 9.162 -1.111 0.095 1.00 54.11 O ATOM 708 CB ASN A 48 12.018 -2.491 -0.787 1.00 2.13 C ATOM 709 CG ASN A 48 13.002 -3.640 -0.685 1.00 51.23 C ATOM 710 OD1 ASN A 48 13.193 -4.384 -1.645 1.00 62.51 O ATOM 711 ND2 ASN A 48 13.666 -3.769 0.451 1.00 10.42 N ATOM 0 H ASN A 48 9.593 -3.472 0.306 1.00 41.11 H new ATOM 0 HA ASN A 48 11.968 -2.048 1.304 1.00 70.25 H new ATOM 0 HB2 ASN A 48 11.306 -2.707 -1.583 1.00 2.13 H new ATOM 0 HB3 ASN A 48 12.558 -1.590 -1.078 1.00 2.13 H new ATOM 0 HD21 ASN A 48 14.365 -4.505 0.553 1.00 10.42 H new ATOM 0 HD22 ASN A 48 13.480 -3.132 1.226 1.00 10.42 H new ATOM 718 N VAL A 49 11.012 0.157 0.223 1.00 2.33 N ATOM 719 CA VAL A 49 10.327 1.425 0.025 1.00 53.31 C ATOM 720 C VAL A 49 11.200 2.339 -0.822 1.00 74.24 C ATOM 721 O VAL A 49 12.420 2.373 -0.642 1.00 42.01 O ATOM 722 CB VAL A 49 10.018 2.138 1.369 1.00 5.23 C ATOM 723 CG1 VAL A 49 9.252 3.432 1.134 1.00 72.45 C ATOM 724 CG2 VAL A 49 9.242 1.232 2.313 1.00 11.35 C ATOM 0 H VAL A 49 12.023 0.244 0.323 1.00 2.33 H new ATOM 0 HA VAL A 49 9.381 1.214 -0.473 1.00 53.31 H new ATOM 0 HB VAL A 49 10.973 2.378 1.837 1.00 5.23 H new ATOM 0 HG11 VAL A 49 9.048 3.913 2.091 1.00 72.45 H new ATOM 0 HG12 VAL A 49 9.848 4.100 0.512 1.00 72.45 H new ATOM 0 HG13 VAL A 49 8.311 3.211 0.630 1.00 72.45 H new ATOM 0 HG21 VAL A 49 9.042 1.762 3.244 1.00 11.35 H new ATOM 0 HG22 VAL A 49 8.298 0.946 1.849 1.00 11.35 H new ATOM 0 HG23 VAL A 49 9.829 0.338 2.523 1.00 11.35 H new ATOM 734 N SER A 50 10.589 3.051 -1.760 1.00 72.14 N ATOM 735 CA SER A 50 11.311 4.044 -2.537 1.00 51.01 C ATOM 736 C SER A 50 11.830 5.154 -1.643 1.00 34.44 C ATOM 737 O SER A 50 11.322 5.372 -0.540 1.00 14.03 O ATOM 738 CB SER A 50 10.417 4.630 -3.623 1.00 11.43 C ATOM 739 OG SER A 50 9.058 4.660 -3.206 1.00 45.24 O ATOM 0 H SER A 50 9.602 2.959 -1.999 1.00 72.14 H new ATOM 0 HA SER A 50 12.160 3.548 -3.008 1.00 51.01 H new ATOM 0 HB2 SER A 50 10.749 5.640 -3.866 1.00 11.43 H new ATOM 0 HB3 SER A 50 10.508 4.037 -4.533 1.00 11.43 H new ATOM 0 HG SER A 50 8.630 5.474 -3.544 1.00 45.24 H new ATOM 745 N GLU A 51 12.831 5.855 -2.122 1.00 74.25 N ATOM 746 CA GLU A 51 13.430 6.929 -1.345 1.00 62.23 C ATOM 747 C GLU A 51 12.553 8.172 -1.404 1.00 73.22 C ATOM 748 O GLU A 51 12.266 8.700 -2.478 1.00 41.50 O ATOM 749 CB GLU A 51 14.865 7.217 -1.803 1.00 62.03 C ATOM 750 CG GLU A 51 15.052 7.274 -3.310 1.00 11.10 C ATOM 751 CD GLU A 51 16.509 7.171 -3.707 1.00 44.34 C ATOM 752 OE1 GLU A 51 17.218 6.304 -3.149 1.00 72.24 O ATOM 753 OE2 GLU A 51 16.946 7.925 -4.600 1.00 33.22 O ATOM 0 H GLU A 51 13.250 5.707 -3.040 1.00 74.25 H new ATOM 0 HA GLU A 51 13.492 6.611 -0.304 1.00 62.23 H new ATOM 0 HB2 GLU A 51 15.185 8.167 -1.375 1.00 62.03 H new ATOM 0 HB3 GLU A 51 15.522 6.448 -1.398 1.00 62.03 H new ATOM 0 HG2 GLU A 51 14.492 6.463 -3.775 1.00 11.10 H new ATOM 0 HG3 GLU A 51 14.638 8.207 -3.691 1.00 11.10 H new ATOM 760 N LEU A 52 12.108 8.608 -0.235 1.00 54.13 N ATOM 761 CA LEU A 52 11.154 9.696 -0.130 1.00 21.21 C ATOM 762 C LEU A 52 11.826 11.038 -0.366 1.00 33.22 C ATOM 763 O LEU A 52 12.975 11.247 0.022 1.00 34.23 O ATOM 764 CB LEU A 52 10.491 9.684 1.249 1.00 71.34 C ATOM 765 CG LEU A 52 9.705 8.415 1.586 1.00 14.22 C ATOM 766 CD1 LEU A 52 9.147 8.493 2.998 1.00 64.21 C ATOM 767 CD2 LEU A 52 8.584 8.207 0.582 1.00 63.43 C ATOM 0 H LEU A 52 12.398 8.218 0.662 1.00 54.13 H new ATOM 0 HA LEU A 52 10.394 9.553 -0.898 1.00 21.21 H new ATOM 0 HB2 LEU A 52 11.262 9.825 2.006 1.00 71.34 H new ATOM 0 HB3 LEU A 52 9.817 10.538 1.317 1.00 71.34 H new ATOM 0 HG LEU A 52 10.383 7.563 1.531 1.00 14.22 H new ATOM 0 HD11 LEU A 52 8.591 7.582 3.220 1.00 64.21 H new ATOM 0 HD12 LEU A 52 9.967 8.600 3.708 1.00 64.21 H new ATOM 0 HD13 LEU A 52 8.482 9.353 3.079 1.00 64.21 H new ATOM 0 HD21 LEU A 52 8.033 7.301 0.834 1.00 63.43 H new ATOM 0 HD22 LEU A 52 7.908 9.062 0.609 1.00 63.43 H new ATOM 0 HD23 LEU A 52 9.005 8.109 -0.419 1.00 63.43 H new ATOM 779 N THR A 53 11.102 11.940 -1.002 1.00 65.45 N ATOM 780 CA THR A 53 11.586 13.287 -1.233 1.00 30.14 C ATOM 781 C THR A 53 10.564 14.295 -0.728 1.00 72.14 C ATOM 782 O THR A 53 9.462 13.919 -0.323 1.00 32.21 O ATOM 783 CB THR A 53 11.877 13.541 -2.728 1.00 70.10 C ATOM 784 OG1 THR A 53 10.744 13.171 -3.523 1.00 64.31 O ATOM 785 CG2 THR A 53 13.101 12.763 -3.190 1.00 14.21 C ATOM 0 H THR A 53 10.168 11.761 -1.371 1.00 65.45 H new ATOM 0 HA THR A 53 12.522 13.404 -0.687 1.00 30.14 H new ATOM 0 HB THR A 53 12.077 14.605 -2.853 1.00 70.10 H new ATOM 0 HG1 THR A 53 10.939 13.338 -4.469 1.00 64.31 H new ATOM 0 HG21 THR A 53 13.281 12.962 -4.246 1.00 14.21 H new ATOM 0 HG22 THR A 53 13.970 13.073 -2.609 1.00 14.21 H new ATOM 0 HG23 THR A 53 12.930 11.696 -3.046 1.00 14.21 H new ATOM 793 N GLU A 54 10.933 15.566 -0.744 1.00 72.15 N ATOM 794 CA GLU A 54 10.053 16.624 -0.287 1.00 3.44 C ATOM 795 C GLU A 54 8.743 16.650 -1.077 1.00 1.43 C ATOM 796 O GLU A 54 7.660 16.702 -0.493 1.00 14.32 O ATOM 797 CB GLU A 54 10.779 17.966 -0.384 1.00 33.24 C ATOM 798 CG GLU A 54 11.288 18.303 -1.779 1.00 45.14 C ATOM 799 CD GLU A 54 12.075 19.598 -1.817 1.00 44.22 C ATOM 800 OE1 GLU A 54 11.464 20.676 -1.679 1.00 34.22 O ATOM 801 OE2 GLU A 54 13.312 19.540 -1.985 1.00 12.55 O ATOM 0 H GLU A 54 11.843 15.889 -1.072 1.00 72.15 H new ATOM 0 HA GLU A 54 9.791 16.432 0.753 1.00 3.44 H new ATOM 0 HB2 GLU A 54 10.104 18.756 -0.056 1.00 33.24 H new ATOM 0 HB3 GLU A 54 11.622 17.960 0.306 1.00 33.24 H new ATOM 0 HG2 GLU A 54 11.918 17.489 -2.138 1.00 45.14 H new ATOM 0 HG3 GLU A 54 10.442 18.377 -2.462 1.00 45.14 H new ATOM 808 N GLU A 55 8.845 16.598 -2.398 1.00 5.12 N ATOM 809 CA GLU A 55 7.669 16.656 -3.250 1.00 35.32 C ATOM 810 C GLU A 55 7.451 15.369 -4.037 1.00 42.12 C ATOM 811 O GLU A 55 7.160 15.406 -5.232 1.00 45.14 O ATOM 812 CB GLU A 55 7.758 17.849 -4.197 1.00 2.21 C ATOM 813 CG GLU A 55 7.322 19.146 -3.547 1.00 34.33 C ATOM 814 CD GLU A 55 5.913 19.058 -2.990 1.00 50.25 C ATOM 815 OE1 GLU A 55 4.954 18.969 -3.785 1.00 3.45 O ATOM 816 OE2 GLU A 55 5.759 19.065 -1.751 1.00 32.44 O ATOM 0 H GLU A 55 9.729 16.516 -2.901 1.00 5.12 H new ATOM 0 HA GLU A 55 6.807 16.778 -2.594 1.00 35.32 H new ATOM 0 HB2 GLU A 55 8.784 17.951 -4.550 1.00 2.21 H new ATOM 0 HB3 GLU A 55 7.137 17.660 -5.073 1.00 2.21 H new ATOM 0 HG2 GLU A 55 8.014 19.399 -2.744 1.00 34.33 H new ATOM 0 HG3 GLU A 55 7.373 19.953 -4.278 1.00 34.33 H new ATOM 823 N SER A 56 7.594 14.233 -3.373 1.00 64.21 N ATOM 824 CA SER A 56 7.113 12.984 -3.935 1.00 70.44 C ATOM 825 C SER A 56 5.648 12.826 -3.576 1.00 41.32 C ATOM 826 O SER A 56 5.297 12.758 -2.399 1.00 1.24 O ATOM 827 CB SER A 56 7.924 11.793 -3.425 1.00 31.23 C ATOM 828 OG SER A 56 8.387 12.011 -2.102 1.00 51.43 O ATOM 0 H SER A 56 8.033 14.151 -2.456 1.00 64.21 H new ATOM 0 HA SER A 56 7.231 13.010 -5.018 1.00 70.44 H new ATOM 0 HB2 SER A 56 7.309 10.893 -3.453 1.00 31.23 H new ATOM 0 HB3 SER A 56 8.774 11.620 -4.086 1.00 31.23 H new ATOM 0 HG SER A 56 7.652 12.351 -1.550 1.00 51.43 H new ATOM 834 N LYS A 57 4.798 12.805 -4.585 1.00 65.25 N ATOM 835 CA LYS A 57 3.364 12.740 -4.359 1.00 43.31 C ATOM 836 C LYS A 57 2.904 11.286 -4.324 1.00 70.10 C ATOM 837 O LYS A 57 1.729 10.994 -4.091 1.00 0.25 O ATOM 838 CB LYS A 57 2.613 13.515 -5.450 1.00 30.32 C ATOM 839 CG LYS A 57 3.337 14.770 -5.935 1.00 11.22 C ATOM 840 CD LYS A 57 3.656 15.742 -4.800 1.00 40.33 C ATOM 841 CE LYS A 57 2.410 16.416 -4.246 1.00 14.25 C ATOM 842 NZ LYS A 57 2.749 17.413 -3.195 1.00 74.12 N ATOM 0 H LYS A 57 5.073 12.832 -5.567 1.00 65.25 H new ATOM 0 HA LYS A 57 3.141 13.200 -3.397 1.00 43.31 H new ATOM 0 HB2 LYS A 57 2.446 12.854 -6.300 1.00 30.32 H new ATOM 0 HB3 LYS A 57 1.632 13.799 -5.069 1.00 30.32 H new ATOM 0 HG2 LYS A 57 4.263 14.481 -6.432 1.00 11.22 H new ATOM 0 HG3 LYS A 57 2.721 15.276 -6.679 1.00 11.22 H new ATOM 0 HD2 LYS A 57 4.163 15.206 -3.998 1.00 40.33 H new ATOM 0 HD3 LYS A 57 4.348 16.503 -5.161 1.00 40.33 H new ATOM 0 HE2 LYS A 57 1.871 16.909 -5.056 1.00 14.25 H new ATOM 0 HE3 LYS A 57 1.741 15.662 -3.831 1.00 14.25 H new ATOM 0 HZ1 LYS A 57 2.112 18.231 -3.274 1.00 74.12 H new ATOM 0 HZ2 LYS A 57 2.640 16.979 -2.256 1.00 74.12 H new ATOM 0 HZ3 LYS A 57 3.733 17.727 -3.319 1.00 74.12 H new ATOM 856 N GLU A 58 3.843 10.378 -4.558 1.00 1.23 N ATOM 857 CA GLU A 58 3.559 8.954 -4.521 1.00 70.23 C ATOM 858 C GLU A 58 4.837 8.178 -4.225 1.00 1.11 C ATOM 859 O GLU A 58 5.940 8.713 -4.353 1.00 20.14 O ATOM 860 CB GLU A 58 2.937 8.463 -5.840 1.00 32.23 C ATOM 861 CG GLU A 58 3.859 8.528 -7.051 1.00 15.42 C ATOM 862 CD GLU A 58 4.107 9.939 -7.536 1.00 4.32 C ATOM 863 OE1 GLU A 58 3.268 10.465 -8.297 1.00 21.42 O ATOM 864 OE2 GLU A 58 5.145 10.526 -7.164 1.00 40.35 O ATOM 0 H GLU A 58 4.813 10.607 -4.776 1.00 1.23 H new ATOM 0 HA GLU A 58 2.833 8.779 -3.727 1.00 70.23 H new ATOM 0 HB2 GLU A 58 2.608 7.432 -5.708 1.00 32.23 H new ATOM 0 HB3 GLU A 58 2.047 9.057 -6.048 1.00 32.23 H new ATOM 0 HG2 GLU A 58 4.813 8.065 -6.799 1.00 15.42 H new ATOM 0 HG3 GLU A 58 3.425 7.943 -7.862 1.00 15.42 H new ATOM 871 N LEU A 59 4.683 6.928 -3.811 1.00 20.21 N ATOM 872 CA LEU A 59 5.819 6.066 -3.519 1.00 40.24 C ATOM 873 C LEU A 59 5.465 4.616 -3.823 1.00 21.40 C ATOM 874 O LEU A 59 4.293 4.238 -3.809 1.00 63.35 O ATOM 875 CB LEU A 59 6.262 6.203 -2.053 1.00 33.35 C ATOM 876 CG LEU A 59 5.290 5.658 -0.994 1.00 4.45 C ATOM 877 CD1 LEU A 59 5.992 5.542 0.347 1.00 32.34 C ATOM 878 CD2 LEU A 59 4.066 6.552 -0.856 1.00 40.54 C ATOM 0 H LEU A 59 3.775 6.486 -3.669 1.00 20.21 H new ATOM 0 HA LEU A 59 6.650 6.376 -4.153 1.00 40.24 H new ATOM 0 HB2 LEU A 59 7.218 5.692 -1.935 1.00 33.35 H new ATOM 0 HB3 LEU A 59 6.437 7.259 -1.846 1.00 33.35 H new ATOM 0 HG LEU A 59 4.959 4.672 -1.319 1.00 4.45 H new ATOM 0 HD11 LEU A 59 5.295 5.155 1.090 1.00 32.34 H new ATOM 0 HD12 LEU A 59 6.840 4.863 0.256 1.00 32.34 H new ATOM 0 HD13 LEU A 59 6.346 6.525 0.659 1.00 32.34 H new ATOM 0 HD21 LEU A 59 3.398 6.140 -0.100 1.00 40.54 H new ATOM 0 HD22 LEU A 59 4.378 7.553 -0.558 1.00 40.54 H new ATOM 0 HD23 LEU A 59 3.544 6.604 -1.811 1.00 40.54 H new ATOM 890 N THR A 60 6.478 3.811 -4.105 1.00 10.03 N ATOM 891 CA THR A 60 6.274 2.406 -4.420 1.00 23.52 C ATOM 892 C THR A 60 6.845 1.524 -3.314 1.00 42.22 C ATOM 893 O THR A 60 8.009 1.662 -2.931 1.00 24.44 O ATOM 894 CB THR A 60 6.932 2.035 -5.763 1.00 3.30 C ATOM 895 OG1 THR A 60 6.558 2.985 -6.769 1.00 52.35 O ATOM 896 CG2 THR A 60 6.517 0.640 -6.209 1.00 20.11 C ATOM 0 H THR A 60 7.453 4.109 -4.122 1.00 10.03 H new ATOM 0 HA THR A 60 5.200 2.238 -4.500 1.00 23.52 H new ATOM 0 HB THR A 60 8.013 2.049 -5.624 1.00 3.30 H new ATOM 0 HG1 THR A 60 6.981 2.744 -7.620 1.00 52.35 H new ATOM 0 HG21 THR A 60 6.996 0.404 -7.159 1.00 20.11 H new ATOM 0 HG22 THR A 60 6.823 -0.088 -5.458 1.00 20.11 H new ATOM 0 HG23 THR A 60 5.434 0.604 -6.330 1.00 20.11 H new ATOM 904 N ALA A 61 6.016 0.634 -2.796 1.00 0.01 N ATOM 905 CA ALA A 61 6.433 -0.261 -1.734 1.00 0.25 C ATOM 906 C ALA A 61 6.379 -1.716 -2.190 1.00 64.54 C ATOM 907 O ALA A 61 5.447 -2.129 -2.883 1.00 33.24 O ATOM 908 CB ALA A 61 5.565 -0.058 -0.503 1.00 10.31 C ATOM 0 H ALA A 61 5.048 0.513 -3.095 1.00 0.01 H new ATOM 0 HA ALA A 61 7.466 -0.027 -1.478 1.00 0.25 H new ATOM 0 HB1 ALA A 61 5.889 -0.736 0.286 1.00 10.31 H new ATOM 0 HB2 ALA A 61 5.658 0.972 -0.158 1.00 10.31 H new ATOM 0 HB3 ALA A 61 4.524 -0.264 -0.754 1.00 10.31 H new ATOM 914 N ARG A 62 7.388 -2.477 -1.809 1.00 12.32 N ATOM 915 CA ARG A 62 7.438 -3.899 -2.116 1.00 5.23 C ATOM 916 C ARG A 62 7.078 -4.699 -0.879 1.00 32.31 C ATOM 917 O ARG A 62 7.794 -4.640 0.113 1.00 52.05 O ATOM 918 CB ARG A 62 8.844 -4.306 -2.570 1.00 5.13 C ATOM 919 CG ARG A 62 9.232 -3.827 -3.958 1.00 24.43 C ATOM 920 CD ARG A 62 8.424 -4.528 -5.038 1.00 12.14 C ATOM 921 NE ARG A 62 9.165 -4.612 -6.294 1.00 24.42 N ATOM 922 CZ ARG A 62 8.671 -4.278 -7.483 1.00 23.52 C ATOM 923 NH1 ARG A 62 7.436 -3.807 -7.584 1.00 42.42 N ATOM 924 NH2 ARG A 62 9.415 -4.418 -8.568 1.00 21.15 N ATOM 0 H ARG A 62 8.191 -2.133 -1.282 1.00 12.32 H new ATOM 0 HA ARG A 62 6.729 -4.101 -2.918 1.00 5.23 H new ATOM 0 HB2 ARG A 62 9.568 -3.919 -1.853 1.00 5.13 H new ATOM 0 HB3 ARG A 62 8.918 -5.393 -2.543 1.00 5.13 H new ATOM 0 HG2 ARG A 62 9.077 -2.750 -4.028 1.00 24.43 H new ATOM 0 HG3 ARG A 62 10.294 -4.008 -4.122 1.00 24.43 H new ATOM 0 HD2 ARG A 62 8.160 -5.531 -4.703 1.00 12.14 H new ATOM 0 HD3 ARG A 62 7.490 -3.990 -5.201 1.00 12.14 H new ATOM 0 HE ARG A 62 10.127 -4.950 -6.257 1.00 24.42 H new ATOM 0 HH11 ARG A 62 6.861 -3.700 -6.748 1.00 42.42 H new ATOM 0 HH12 ARG A 62 7.061 -3.552 -8.497 1.00 42.42 H new ATOM 0 HH21 ARG A 62 10.365 -4.781 -8.492 1.00 21.15 H new ATOM 0 HH22 ARG A 62 9.039 -4.163 -9.481 1.00 21.15 H new ATOM 938 N PHE A 63 5.980 -5.433 -0.923 1.00 73.24 N ATOM 939 CA PHE A 63 5.611 -6.286 0.196 1.00 74.20 C ATOM 940 C PHE A 63 5.772 -7.751 -0.185 1.00 64.35 C ATOM 941 O PHE A 63 4.977 -8.293 -0.946 1.00 63.15 O ATOM 942 CB PHE A 63 4.172 -6.009 0.646 1.00 24.45 C ATOM 943 CG PHE A 63 3.957 -4.617 1.168 1.00 43.24 C ATOM 944 CD1 PHE A 63 4.359 -4.275 2.449 1.00 5.40 C ATOM 945 CD2 PHE A 63 3.356 -3.652 0.378 1.00 30.23 C ATOM 946 CE1 PHE A 63 4.162 -2.995 2.934 1.00 10.41 C ATOM 947 CE2 PHE A 63 3.156 -2.371 0.856 1.00 14.43 C ATOM 948 CZ PHE A 63 3.561 -2.042 2.135 1.00 22.44 C ATOM 0 H PHE A 63 5.334 -5.457 -1.712 1.00 73.24 H new ATOM 0 HA PHE A 63 6.276 -6.062 1.030 1.00 74.20 H new ATOM 0 HB2 PHE A 63 3.499 -6.180 -0.194 1.00 24.45 H new ATOM 0 HB3 PHE A 63 3.900 -6.724 1.422 1.00 24.45 H new ATOM 0 HD1 PHE A 63 4.832 -5.017 3.076 1.00 5.40 H new ATOM 0 HD2 PHE A 63 3.040 -3.903 -0.624 1.00 30.23 H new ATOM 0 HE1 PHE A 63 4.477 -2.741 3.935 1.00 10.41 H new ATOM 0 HE2 PHE A 63 2.684 -1.628 0.230 1.00 14.43 H new ATOM 0 HZ PHE A 63 3.408 -1.041 2.510 1.00 22.44 H new ATOM 958 N LYS A 64 6.810 -8.378 0.334 1.00 14.30 N ATOM 959 CA LYS A 64 7.084 -9.776 0.048 1.00 12.03 C ATOM 960 C LYS A 64 6.606 -10.652 1.196 1.00 62.52 C ATOM 961 O LYS A 64 7.109 -10.554 2.316 1.00 3.14 O ATOM 962 CB LYS A 64 8.581 -9.995 -0.186 1.00 32.15 C ATOM 963 CG LYS A 64 8.957 -11.458 -0.342 1.00 4.50 C ATOM 964 CD LYS A 64 10.455 -11.642 -0.482 1.00 31.42 C ATOM 965 CE LYS A 64 10.829 -13.113 -0.436 1.00 34.02 C ATOM 966 NZ LYS A 64 10.520 -13.719 0.889 1.00 63.41 N ATOM 0 H LYS A 64 7.483 -7.938 0.961 1.00 14.30 H new ATOM 0 HA LYS A 64 6.545 -10.052 -0.858 1.00 12.03 H new ATOM 0 HB2 LYS A 64 8.885 -9.452 -1.081 1.00 32.15 H new ATOM 0 HB3 LYS A 64 9.138 -9.571 0.649 1.00 32.15 H new ATOM 0 HG2 LYS A 64 8.601 -12.019 0.522 1.00 4.50 H new ATOM 0 HG3 LYS A 64 8.457 -11.871 -1.218 1.00 4.50 H new ATOM 0 HD2 LYS A 64 10.792 -11.207 -1.423 1.00 31.42 H new ATOM 0 HD3 LYS A 64 10.967 -11.108 0.318 1.00 31.42 H new ATOM 0 HE2 LYS A 64 10.290 -13.650 -1.216 1.00 34.02 H new ATOM 0 HE3 LYS A 64 11.892 -13.225 -0.648 1.00 34.02 H new ATOM 0 HZ1 LYS A 64 11.009 -14.633 0.976 1.00 63.41 H new ATOM 0 HZ2 LYS A 64 10.841 -13.081 1.646 1.00 63.41 H new ATOM 0 HZ3 LYS A 64 9.494 -13.867 0.972 1.00 63.41 H new ATOM 980 N PHE A 65 5.637 -11.502 0.911 1.00 60.44 N ATOM 981 CA PHE A 65 5.091 -12.398 1.911 1.00 31.34 C ATOM 982 C PHE A 65 5.710 -13.781 1.767 1.00 65.14 C ATOM 983 O PHE A 65 6.658 -13.968 1.001 1.00 24.34 O ATOM 984 CB PHE A 65 3.570 -12.468 1.772 1.00 65.24 C ATOM 985 CG PHE A 65 2.903 -11.130 1.921 1.00 0.50 C ATOM 986 CD1 PHE A 65 2.646 -10.607 3.177 1.00 1.01 C ATOM 987 CD2 PHE A 65 2.538 -10.395 0.804 1.00 21.24 C ATOM 988 CE1 PHE A 65 2.038 -9.377 3.318 1.00 70.02 C ATOM 989 CE2 PHE A 65 1.929 -9.162 0.939 1.00 14.32 C ATOM 990 CZ PHE A 65 1.678 -8.655 2.198 1.00 35.03 C ATOM 0 H PHE A 65 5.210 -11.590 -0.011 1.00 60.44 H new ATOM 0 HA PHE A 65 5.331 -12.017 2.904 1.00 31.34 H new ATOM 0 HB2 PHE A 65 3.319 -12.886 0.797 1.00 65.24 H new ATOM 0 HB3 PHE A 65 3.173 -13.151 2.523 1.00 65.24 H new ATOM 0 HD1 PHE A 65 2.925 -11.169 4.056 1.00 1.01 H new ATOM 0 HD2 PHE A 65 2.732 -10.790 -0.182 1.00 21.24 H new ATOM 0 HE1 PHE A 65 1.844 -8.979 4.303 1.00 70.02 H new ATOM 0 HE2 PHE A 65 1.650 -8.597 0.062 1.00 14.32 H new ATOM 0 HZ PHE A 65 1.200 -7.693 2.307 1.00 35.03 H new ATOM 1000 N GLU A 66 5.175 -14.742 2.498 1.00 4.34 N ATOM 1001 CA GLU A 66 5.696 -16.093 2.477 1.00 45.41 C ATOM 1002 C GLU A 66 5.053 -16.895 1.355 1.00 32.52 C ATOM 1003 O GLU A 66 5.739 -17.551 0.569 1.00 44.32 O ATOM 1004 CB GLU A 66 5.422 -16.767 3.817 1.00 32.22 C ATOM 1005 CG GLU A 66 6.210 -16.176 4.971 1.00 21.34 C ATOM 1006 CD GLU A 66 7.699 -16.394 4.824 1.00 1.44 C ATOM 1007 OE1 GLU A 66 8.130 -17.565 4.782 1.00 11.31 O ATOM 1008 OE2 GLU A 66 8.448 -15.401 4.773 1.00 75.12 O ATOM 0 H GLU A 66 4.375 -14.609 3.117 1.00 4.34 H new ATOM 0 HA GLU A 66 6.771 -16.053 2.303 1.00 45.41 H new ATOM 0 HB2 GLU A 66 4.358 -16.692 4.040 1.00 32.22 H new ATOM 0 HB3 GLU A 66 5.657 -17.828 3.734 1.00 32.22 H new ATOM 0 HG2 GLU A 66 6.007 -15.107 5.036 1.00 21.34 H new ATOM 0 HG3 GLU A 66 5.871 -16.623 5.906 1.00 21.34 H new ATOM 1015 N VAL A 67 3.731 -16.841 1.292 1.00 10.34 N ATOM 1016 CA VAL A 67 2.992 -17.571 0.276 1.00 70.55 C ATOM 1017 C VAL A 67 2.155 -16.625 -0.570 1.00 34.14 C ATOM 1018 O VAL A 67 1.805 -15.524 -0.136 1.00 40.40 O ATOM 1019 CB VAL A 67 2.087 -18.665 0.889 1.00 51.01 C ATOM 1020 CG1 VAL A 67 2.924 -19.725 1.591 1.00 71.32 C ATOM 1021 CG2 VAL A 67 1.074 -18.063 1.852 1.00 2.23 C ATOM 0 H VAL A 67 3.150 -16.300 1.932 1.00 10.34 H new ATOM 0 HA VAL A 67 3.730 -18.062 -0.358 1.00 70.55 H new ATOM 0 HB VAL A 67 1.539 -19.140 0.075 1.00 51.01 H new ATOM 0 HG11 VAL A 67 2.268 -20.485 2.015 1.00 71.32 H new ATOM 0 HG12 VAL A 67 3.600 -20.189 0.873 1.00 71.32 H new ATOM 0 HG13 VAL A 67 3.505 -19.261 2.388 1.00 71.32 H new ATOM 0 HG21 VAL A 67 0.452 -18.855 2.268 1.00 2.23 H new ATOM 0 HG22 VAL A 67 1.599 -17.552 2.660 1.00 2.23 H new ATOM 0 HG23 VAL A 67 0.445 -17.349 1.320 1.00 2.23 H new ATOM 1031 N SER A 68 1.831 -17.073 -1.773 1.00 14.13 N ATOM 1032 CA SER A 68 1.088 -16.272 -2.735 1.00 22.54 C ATOM 1033 C SER A 68 -0.310 -15.921 -2.220 1.00 2.44 C ATOM 1034 O SER A 68 -0.937 -14.967 -2.684 1.00 13.33 O ATOM 1035 CB SER A 68 0.997 -17.034 -4.058 1.00 65.15 C ATOM 1036 OG SER A 68 2.268 -17.543 -4.439 1.00 24.23 O ATOM 0 H SER A 68 2.076 -18.004 -2.111 1.00 14.13 H new ATOM 0 HA SER A 68 1.619 -15.332 -2.887 1.00 22.54 H new ATOM 0 HB2 SER A 68 0.286 -17.855 -3.961 1.00 65.15 H new ATOM 0 HB3 SER A 68 0.617 -16.373 -4.837 1.00 65.15 H new ATOM 0 HG SER A 68 2.186 -18.028 -5.287 1.00 24.23 H new ATOM 1042 N ALA A 69 -0.779 -16.684 -1.247 1.00 3.51 N ATOM 1043 CA ALA A 69 -2.088 -16.459 -0.653 1.00 54.31 C ATOM 1044 C ALA A 69 -2.115 -15.156 0.139 1.00 65.21 C ATOM 1045 O ALA A 69 -3.101 -14.423 0.113 1.00 43.14 O ATOM 1046 CB ALA A 69 -2.462 -17.629 0.242 1.00 53.23 C ATOM 0 H ALA A 69 -0.268 -17.472 -0.848 1.00 3.51 H new ATOM 0 HA ALA A 69 -2.819 -16.378 -1.458 1.00 54.31 H new ATOM 0 HB1 ALA A 69 -3.443 -17.451 0.682 1.00 53.23 H new ATOM 0 HB2 ALA A 69 -2.490 -18.545 -0.349 1.00 53.23 H new ATOM 0 HB3 ALA A 69 -1.722 -17.731 1.035 1.00 53.23 H new ATOM 1052 N GLU A 70 -1.013 -14.866 0.821 1.00 73.21 N ATOM 1053 CA GLU A 70 -0.910 -13.679 1.659 1.00 20.04 C ATOM 1054 C GLU A 70 -0.906 -12.418 0.805 1.00 25.31 C ATOM 1055 O GLU A 70 -1.409 -11.372 1.219 1.00 74.35 O ATOM 1056 CB GLU A 70 0.354 -13.771 2.509 1.00 25.52 C ATOM 1057 CG GLU A 70 0.338 -14.954 3.459 1.00 64.34 C ATOM 1058 CD GLU A 70 1.679 -15.196 4.111 1.00 74.42 C ATOM 1059 OE1 GLU A 70 2.676 -15.310 3.382 1.00 71.22 O ATOM 1060 OE2 GLU A 70 1.735 -15.311 5.353 1.00 0.44 O ATOM 0 H GLU A 70 -0.172 -15.443 0.809 1.00 73.21 H new ATOM 0 HA GLU A 70 -1.776 -13.625 2.319 1.00 20.04 H new ATOM 0 HB2 GLU A 70 1.222 -13.848 1.854 1.00 25.52 H new ATOM 0 HB3 GLU A 70 0.468 -12.851 3.083 1.00 25.52 H new ATOM 0 HG2 GLU A 70 -0.412 -14.784 4.232 1.00 64.34 H new ATOM 0 HG3 GLU A 70 0.037 -15.849 2.914 1.00 64.34 H new ATOM 1067 N LYS A 71 -0.346 -12.538 -0.393 1.00 41.42 N ATOM 1068 CA LYS A 71 -0.387 -11.471 -1.385 1.00 52.23 C ATOM 1069 C LYS A 71 -1.822 -11.054 -1.639 1.00 31.44 C ATOM 1070 O LYS A 71 -2.208 -9.903 -1.441 1.00 14.23 O ATOM 1071 CB LYS A 71 0.210 -11.975 -2.694 1.00 14.24 C ATOM 1072 CG LYS A 71 0.132 -10.978 -3.841 1.00 52.12 C ATOM 1073 CD LYS A 71 0.765 -11.539 -5.102 1.00 24.33 C ATOM 1074 CE LYS A 71 0.338 -10.777 -6.347 1.00 11.11 C ATOM 1075 NZ LYS A 71 0.623 -9.323 -6.249 1.00 12.51 N ATOM 0 H LYS A 71 0.148 -13.375 -0.703 1.00 41.42 H new ATOM 0 HA LYS A 71 0.182 -10.620 -1.012 1.00 52.23 H new ATOM 0 HB2 LYS A 71 1.255 -12.238 -2.526 1.00 14.24 H new ATOM 0 HB3 LYS A 71 -0.306 -12.890 -2.987 1.00 14.24 H new ATOM 0 HG2 LYS A 71 -0.910 -10.725 -4.036 1.00 52.12 H new ATOM 0 HG3 LYS A 71 0.637 -10.054 -3.558 1.00 52.12 H new ATOM 0 HD2 LYS A 71 1.850 -11.501 -5.009 1.00 24.33 H new ATOM 0 HD3 LYS A 71 0.490 -12.588 -5.208 1.00 24.33 H new ATOM 0 HE2 LYS A 71 0.854 -11.187 -7.215 1.00 11.11 H new ATOM 0 HE3 LYS A 71 -0.729 -10.925 -6.511 1.00 11.11 H new ATOM 0 HZ1 LYS A 71 0.606 -8.901 -7.199 1.00 12.51 H new ATOM 0 HZ2 LYS A 71 -0.098 -8.867 -5.655 1.00 12.51 H new ATOM 0 HZ3 LYS A 71 1.562 -9.181 -5.824 1.00 12.51 H new ATOM 1089 N LEU A 72 -2.597 -12.029 -2.079 1.00 51.34 N ATOM 1090 CA LEU A 72 -4.011 -11.835 -2.383 1.00 23.23 C ATOM 1091 C LEU A 72 -4.770 -11.255 -1.192 1.00 3.11 C ATOM 1092 O LEU A 72 -5.526 -10.299 -1.344 1.00 44.32 O ATOM 1093 CB LEU A 72 -4.646 -13.164 -2.806 1.00 75.15 C ATOM 1094 CG LEU A 72 -3.999 -13.843 -4.017 1.00 23.24 C ATOM 1095 CD1 LEU A 72 -4.652 -15.191 -4.282 1.00 15.55 C ATOM 1096 CD2 LEU A 72 -4.098 -12.952 -5.245 1.00 14.43 C ATOM 0 H LEU A 72 -2.267 -12.981 -2.237 1.00 51.34 H new ATOM 0 HA LEU A 72 -4.077 -11.121 -3.204 1.00 23.23 H new ATOM 0 HB2 LEU A 72 -4.607 -13.851 -1.961 1.00 75.15 H new ATOM 0 HB3 LEU A 72 -5.699 -12.990 -3.027 1.00 75.15 H new ATOM 0 HG LEU A 72 -2.944 -14.008 -3.797 1.00 23.24 H new ATOM 0 HD11 LEU A 72 -4.181 -15.660 -5.146 1.00 15.55 H new ATOM 0 HD12 LEU A 72 -4.530 -15.832 -3.409 1.00 15.55 H new ATOM 0 HD13 LEU A 72 -5.714 -15.048 -4.481 1.00 15.55 H new ATOM 0 HD21 LEU A 72 -3.633 -13.451 -6.095 1.00 14.43 H new ATOM 0 HD22 LEU A 72 -5.147 -12.756 -5.469 1.00 14.43 H new ATOM 0 HD23 LEU A 72 -3.585 -12.009 -5.053 1.00 14.43 H new ATOM 1108 N ILE A 73 -4.563 -11.832 -0.010 1.00 25.41 N ATOM 1109 CA ILE A 73 -5.234 -11.364 1.203 1.00 14.02 C ATOM 1110 C ILE A 73 -4.929 -9.889 1.470 1.00 42.01 C ATOM 1111 O ILE A 73 -5.832 -9.101 1.757 1.00 22.10 O ATOM 1112 CB ILE A 73 -4.831 -12.207 2.437 1.00 41.24 C ATOM 1113 CG1 ILE A 73 -5.237 -13.672 2.237 1.00 33.13 C ATOM 1114 CG2 ILE A 73 -5.468 -11.647 3.704 1.00 74.12 C ATOM 1115 CD1 ILE A 73 -4.792 -14.585 3.360 1.00 64.34 C ATOM 0 H ILE A 73 -3.937 -12.624 0.135 1.00 25.41 H new ATOM 0 HA ILE A 73 -6.305 -11.480 1.037 1.00 14.02 H new ATOM 0 HB ILE A 73 -3.748 -12.157 2.548 1.00 41.24 H new ATOM 0 HG12 ILE A 73 -6.321 -13.730 2.142 1.00 33.13 H new ATOM 0 HG13 ILE A 73 -4.815 -14.032 1.299 1.00 33.13 H new ATOM 0 HG21 ILE A 73 -5.172 -12.254 4.559 1.00 74.12 H new ATOM 0 HG22 ILE A 73 -5.135 -10.620 3.855 1.00 74.12 H new ATOM 0 HG23 ILE A 73 -6.553 -11.666 3.604 1.00 74.12 H new ATOM 0 HD11 ILE A 73 -5.115 -15.605 3.149 1.00 64.34 H new ATOM 0 HD12 ILE A 73 -3.705 -14.558 3.442 1.00 64.34 H new ATOM 0 HD13 ILE A 73 -5.235 -14.251 4.298 1.00 64.34 H new ATOM 1127 N PHE A 74 -3.660 -9.520 1.350 1.00 25.44 N ATOM 1128 CA PHE A 74 -3.238 -8.138 1.551 1.00 34.34 C ATOM 1129 C PHE A 74 -3.889 -7.221 0.520 1.00 14.22 C ATOM 1130 O PHE A 74 -4.399 -6.153 0.860 1.00 43.31 O ATOM 1131 CB PHE A 74 -1.712 -8.043 1.465 1.00 13.24 C ATOM 1132 CG PHE A 74 -1.171 -6.651 1.647 1.00 10.44 C ATOM 1133 CD1 PHE A 74 -1.069 -6.092 2.910 1.00 53.54 C ATOM 1134 CD2 PHE A 74 -0.762 -5.903 0.553 1.00 51.14 C ATOM 1135 CE1 PHE A 74 -0.570 -4.815 3.080 1.00 51.14 C ATOM 1136 CE2 PHE A 74 -0.262 -4.627 0.718 1.00 3.42 C ATOM 1137 CZ PHE A 74 -0.166 -4.081 1.982 1.00 4.42 C ATOM 0 H PHE A 74 -2.902 -10.160 1.114 1.00 25.44 H new ATOM 0 HA PHE A 74 -3.558 -7.814 2.542 1.00 34.34 H new ATOM 0 HB2 PHE A 74 -1.275 -8.693 2.223 1.00 13.24 H new ATOM 0 HB3 PHE A 74 -1.389 -8.423 0.496 1.00 13.24 H new ATOM 0 HD1 PHE A 74 -1.383 -6.661 3.772 1.00 53.54 H new ATOM 0 HD2 PHE A 74 -0.836 -6.324 -0.439 1.00 51.14 H new ATOM 0 HE1 PHE A 74 -0.496 -4.391 4.071 1.00 51.14 H new ATOM 0 HE2 PHE A 74 0.054 -4.056 -0.142 1.00 3.42 H new ATOM 0 HZ PHE A 74 0.224 -3.082 2.112 1.00 4.42 H new ATOM 1147 N GLU A 75 -3.887 -7.654 -0.734 1.00 33.22 N ATOM 1148 CA GLU A 75 -4.478 -6.876 -1.817 1.00 30.10 C ATOM 1149 C GLU A 75 -5.991 -6.757 -1.650 1.00 10.20 C ATOM 1150 O GLU A 75 -6.594 -5.774 -2.079 1.00 62.45 O ATOM 1151 CB GLU A 75 -4.126 -7.494 -3.172 1.00 62.44 C ATOM 1152 CG GLU A 75 -2.652 -7.360 -3.519 1.00 51.33 C ATOM 1153 CD GLU A 75 -2.359 -7.619 -4.980 1.00 62.24 C ATOM 1154 OE1 GLU A 75 -2.515 -6.679 -5.793 1.00 24.11 O ATOM 1155 OE2 GLU A 75 -1.954 -8.747 -5.322 1.00 11.13 O ATOM 0 H GLU A 75 -3.481 -8.543 -1.028 1.00 33.22 H new ATOM 0 HA GLU A 75 -4.061 -5.870 -1.778 1.00 30.10 H new ATOM 0 HB2 GLU A 75 -4.398 -8.550 -3.166 1.00 62.44 H new ATOM 0 HB3 GLU A 75 -4.722 -7.016 -3.949 1.00 62.44 H new ATOM 0 HG2 GLU A 75 -2.314 -6.357 -3.259 1.00 51.33 H new ATOM 0 HG3 GLU A 75 -2.077 -8.058 -2.910 1.00 51.33 H new ATOM 1162 N LEU A 76 -6.598 -7.755 -1.020 1.00 73.45 N ATOM 1163 CA LEU A 76 -8.013 -7.739 -0.730 1.00 15.22 C ATOM 1164 C LEU A 76 -8.336 -6.771 0.408 1.00 43.43 C ATOM 1165 O LEU A 76 -9.251 -5.953 0.301 1.00 21.11 O ATOM 1166 CB LEU A 76 -8.455 -9.153 -0.365 1.00 3.14 C ATOM 1167 CG LEU A 76 -8.580 -10.129 -1.536 1.00 71.40 C ATOM 1168 CD1 LEU A 76 -8.968 -11.513 -1.038 1.00 63.21 C ATOM 1169 CD2 LEU A 76 -9.594 -9.622 -2.547 1.00 65.52 C ATOM 0 H LEU A 76 -6.117 -8.595 -0.699 1.00 73.45 H new ATOM 0 HA LEU A 76 -8.553 -7.396 -1.613 1.00 15.22 H new ATOM 0 HB2 LEU A 76 -7.744 -9.563 0.352 1.00 3.14 H new ATOM 0 HB3 LEU A 76 -9.419 -9.094 0.140 1.00 3.14 H new ATOM 0 HG LEU A 76 -7.610 -10.201 -2.029 1.00 71.40 H new ATOM 0 HD11 LEU A 76 -9.052 -12.194 -1.885 1.00 63.21 H new ATOM 0 HD12 LEU A 76 -8.205 -11.880 -0.352 1.00 63.21 H new ATOM 0 HD13 LEU A 76 -9.925 -11.458 -0.520 1.00 63.21 H new ATOM 0 HD21 LEU A 76 -9.669 -10.329 -3.373 1.00 65.52 H new ATOM 0 HD22 LEU A 76 -10.567 -9.520 -2.067 1.00 65.52 H new ATOM 0 HD23 LEU A 76 -9.274 -8.652 -2.928 1.00 65.52 H new ATOM 1181 N LYS A 77 -7.574 -6.857 1.494 1.00 71.33 N ATOM 1182 CA LYS A 77 -7.825 -6.024 2.668 1.00 44.12 C ATOM 1183 C LYS A 77 -7.531 -4.551 2.384 1.00 42.33 C ATOM 1184 O LYS A 77 -8.192 -3.665 2.924 1.00 44.42 O ATOM 1185 CB LYS A 77 -7.008 -6.511 3.875 1.00 61.24 C ATOM 1186 CG LYS A 77 -7.427 -7.890 4.372 1.00 43.35 C ATOM 1187 CD LYS A 77 -7.274 -8.036 5.883 1.00 44.41 C ATOM 1188 CE LYS A 77 -5.846 -7.798 6.346 1.00 34.34 C ATOM 1189 NZ LYS A 77 -5.720 -7.907 7.826 1.00 54.31 N ATOM 0 H LYS A 77 -6.781 -7.492 1.587 1.00 71.33 H new ATOM 0 HA LYS A 77 -8.884 -6.115 2.909 1.00 44.12 H new ATOM 0 HB2 LYS A 77 -5.953 -6.536 3.604 1.00 61.24 H new ATOM 0 HB3 LYS A 77 -7.112 -5.793 4.688 1.00 61.24 H new ATOM 0 HG2 LYS A 77 -8.465 -8.073 4.096 1.00 43.35 H new ATOM 0 HG3 LYS A 77 -6.826 -8.651 3.874 1.00 43.35 H new ATOM 0 HD2 LYS A 77 -7.938 -7.330 6.383 1.00 44.41 H new ATOM 0 HD3 LYS A 77 -7.588 -9.036 6.182 1.00 44.41 H new ATOM 0 HE2 LYS A 77 -5.184 -8.522 5.870 1.00 34.34 H new ATOM 0 HE3 LYS A 77 -5.520 -6.809 6.025 1.00 34.34 H new ATOM 0 HZ1 LYS A 77 -4.752 -7.656 8.111 1.00 54.31 H new ATOM 0 HZ2 LYS A 77 -6.394 -7.259 8.281 1.00 54.31 H new ATOM 0 HZ3 LYS A 77 -5.925 -8.883 8.121 1.00 54.31 H new ATOM 1203 N THR A 78 -6.557 -4.289 1.521 1.00 11.33 N ATOM 1204 CA THR A 78 -6.205 -2.919 1.171 1.00 22.04 C ATOM 1205 C THR A 78 -7.328 -2.231 0.400 1.00 54.40 C ATOM 1206 O THR A 78 -7.518 -1.023 0.517 1.00 11.11 O ATOM 1207 CB THR A 78 -4.905 -2.857 0.349 1.00 14.22 C ATOM 1208 OG1 THR A 78 -4.889 -3.906 -0.624 1.00 3.21 O ATOM 1209 CG2 THR A 78 -3.684 -2.968 1.247 1.00 33.43 C ATOM 0 H THR A 78 -5.999 -5.003 1.053 1.00 11.33 H new ATOM 0 HA THR A 78 -6.049 -2.390 2.111 1.00 22.04 H new ATOM 0 HB THR A 78 -4.871 -1.893 -0.158 1.00 14.22 H new ATOM 0 HG1 THR A 78 -4.607 -4.743 -0.199 1.00 3.21 H new ATOM 0 HG21 THR A 78 -2.780 -2.921 0.640 1.00 33.43 H new ATOM 0 HG22 THR A 78 -3.683 -2.146 1.963 1.00 33.43 H new ATOM 0 HG23 THR A 78 -3.712 -3.916 1.783 1.00 33.43 H new ATOM 1217 N ARG A 79 -8.081 -3.010 -0.371 1.00 53.14 N ATOM 1218 CA ARG A 79 -9.200 -2.492 -1.133 1.00 64.51 C ATOM 1219 C ARG A 79 -10.268 -1.906 -0.217 1.00 20.04 C ATOM 1220 O ARG A 79 -10.791 -0.826 -0.471 1.00 11.33 O ATOM 1221 CB ARG A 79 -9.798 -3.608 -1.982 1.00 53.15 C ATOM 1222 CG ARG A 79 -8.974 -3.983 -3.206 1.00 4.55 C ATOM 1223 CD ARG A 79 -9.015 -2.903 -4.281 1.00 33.22 C ATOM 1224 NE ARG A 79 -8.272 -1.698 -3.905 1.00 23.22 N ATOM 1225 CZ ARG A 79 -8.171 -0.622 -4.685 1.00 2.42 C ATOM 1226 NH1 ARG A 79 -8.814 -0.581 -5.844 1.00 1.35 N ATOM 1227 NH2 ARG A 79 -7.447 0.425 -4.299 1.00 13.02 N ATOM 0 H ARG A 79 -7.929 -4.013 -0.481 1.00 53.14 H new ATOM 0 HA ARG A 79 -8.836 -1.693 -1.779 1.00 64.51 H new ATOM 0 HB2 ARG A 79 -9.923 -4.494 -1.359 1.00 53.15 H new ATOM 0 HB3 ARG A 79 -10.793 -3.305 -2.309 1.00 53.15 H new ATOM 0 HG2 ARG A 79 -7.940 -4.156 -2.907 1.00 4.55 H new ATOM 0 HG3 ARG A 79 -9.347 -4.920 -3.620 1.00 4.55 H new ATOM 0 HD2 ARG A 79 -8.604 -3.303 -5.207 1.00 33.22 H new ATOM 0 HD3 ARG A 79 -10.053 -2.636 -4.482 1.00 33.22 H new ATOM 0 HE ARG A 79 -7.807 -1.681 -2.997 1.00 23.22 H new ATOM 0 HH11 ARG A 79 -9.386 -1.373 -6.138 1.00 1.35 H new ATOM 0 HH12 ARG A 79 -8.737 0.242 -6.441 1.00 1.35 H new ATOM 0 HH21 ARG A 79 -6.964 0.408 -3.401 1.00 13.02 H new ATOM 0 HH22 ARG A 79 -7.374 1.245 -4.901 1.00 13.02 H new ATOM 1241 N SER A 80 -10.574 -2.617 0.857 1.00 23.54 N ATOM 1242 CA SER A 80 -11.654 -2.217 1.742 1.00 41.22 C ATOM 1243 C SER A 80 -11.195 -1.155 2.736 1.00 52.11 C ATOM 1244 O SER A 80 -12.014 -0.529 3.406 1.00 64.53 O ATOM 1245 CB SER A 80 -12.218 -3.437 2.478 1.00 44.43 C ATOM 1246 OG SER A 80 -13.453 -3.131 3.106 1.00 72.24 O ATOM 0 H SER A 80 -10.091 -3.471 1.135 1.00 23.54 H new ATOM 0 HA SER A 80 -12.444 -1.779 1.132 1.00 41.22 H new ATOM 0 HB2 SER A 80 -12.358 -4.257 1.774 1.00 44.43 H new ATOM 0 HB3 SER A 80 -11.501 -3.778 3.225 1.00 44.43 H new ATOM 0 HG SER A 80 -14.114 -2.885 2.425 1.00 72.24 H new ATOM 1252 N LEU A 81 -9.890 -0.951 2.836 1.00 64.35 N ATOM 1253 CA LEU A 81 -9.359 0.064 3.714 1.00 41.12 C ATOM 1254 C LEU A 81 -9.149 1.371 2.956 1.00 31.35 C ATOM 1255 O LEU A 81 -9.467 2.452 3.453 1.00 2.41 O ATOM 1256 CB LEU A 81 -8.041 -0.410 4.322 1.00 62.10 C ATOM 1257 CG LEU A 81 -7.172 0.707 4.880 1.00 45.32 C ATOM 1258 CD1 LEU A 81 -7.823 1.347 6.102 1.00 43.24 C ATOM 1259 CD2 LEU A 81 -5.780 0.202 5.214 1.00 4.30 C ATOM 0 H LEU A 81 -9.186 -1.477 2.318 1.00 64.35 H new ATOM 0 HA LEU A 81 -10.076 0.242 4.515 1.00 41.12 H new ATOM 0 HB2 LEU A 81 -8.257 -1.120 5.120 1.00 62.10 H new ATOM 0 HB3 LEU A 81 -7.476 -0.948 3.561 1.00 62.10 H new ATOM 0 HG LEU A 81 -7.076 1.471 4.108 1.00 45.32 H new ATOM 0 HD11 LEU A 81 -7.181 2.142 6.481 1.00 43.24 H new ATOM 0 HD12 LEU A 81 -8.791 1.764 5.822 1.00 43.24 H new ATOM 0 HD13 LEU A 81 -7.963 0.593 6.877 1.00 43.24 H new ATOM 0 HD21 LEU A 81 -5.181 1.022 5.611 1.00 4.30 H new ATOM 0 HD22 LEU A 81 -5.850 -0.590 5.959 1.00 4.30 H new ATOM 0 HD23 LEU A 81 -5.308 -0.188 4.312 1.00 4.30 H new ATOM 1271 N ALA A 82 -8.634 1.259 1.743 1.00 50.31 N ATOM 1272 CA ALA A 82 -8.271 2.432 0.953 1.00 50.02 C ATOM 1273 C ALA A 82 -9.364 2.788 -0.044 1.00 32.52 C ATOM 1274 O ALA A 82 -9.138 3.539 -0.989 1.00 22.24 O ATOM 1275 CB ALA A 82 -6.950 2.192 0.236 1.00 72.05 C ATOM 0 H ALA A 82 -8.456 0.368 1.280 1.00 50.31 H new ATOM 0 HA ALA A 82 -8.156 3.276 1.633 1.00 50.02 H new ATOM 0 HB1 ALA A 82 -6.689 3.073 -0.350 1.00 72.05 H new ATOM 0 HB2 ALA A 82 -6.167 1.999 0.970 1.00 72.05 H new ATOM 0 HB3 ALA A 82 -7.046 1.331 -0.426 1.00 72.05 H new ATOM 1281 N ARG A 83 -10.548 2.248 0.188 1.00 15.21 N ATOM 1282 CA ARG A 83 -11.701 2.511 -0.658 1.00 25.21 C ATOM 1283 C ARG A 83 -12.951 1.997 0.045 1.00 13.23 C ATOM 1284 O ARG A 83 -12.848 1.212 0.989 1.00 13.03 O ATOM 1285 CB ARG A 83 -11.525 1.827 -2.022 1.00 44.04 C ATOM 1286 CG ARG A 83 -12.209 2.544 -3.179 1.00 5.25 C ATOM 1287 CD ARG A 83 -11.485 3.832 -3.570 1.00 43.34 C ATOM 1288 NE ARG A 83 -11.482 4.820 -2.489 1.00 41.10 N ATOM 1289 CZ ARG A 83 -10.782 5.954 -2.503 1.00 65.14 C ATOM 1290 NH1 ARG A 83 -10.065 6.292 -3.568 1.00 40.52 N ATOM 1291 NH2 ARG A 83 -10.808 6.756 -1.445 1.00 70.11 N ATOM 0 H ARG A 83 -10.738 1.616 0.966 1.00 15.21 H new ATOM 0 HA ARG A 83 -11.798 3.583 -0.831 1.00 25.21 H new ATOM 0 HB2 ARG A 83 -10.460 1.746 -2.239 1.00 44.04 H new ATOM 0 HB3 ARG A 83 -11.915 0.811 -1.958 1.00 44.04 H new ATOM 0 HG2 ARG A 83 -12.254 1.878 -4.041 1.00 5.25 H new ATOM 0 HG3 ARG A 83 -13.237 2.777 -2.903 1.00 5.25 H new ATOM 0 HD2 ARG A 83 -10.457 3.598 -3.848 1.00 43.34 H new ATOM 0 HD3 ARG A 83 -11.963 4.262 -4.450 1.00 43.34 H new ATOM 0 HE ARG A 83 -12.056 4.627 -1.668 1.00 41.10 H new ATOM 0 HH11 ARG A 83 -10.047 5.682 -4.385 1.00 40.52 H new ATOM 0 HH12 ARG A 83 -9.533 7.162 -3.569 1.00 40.52 H new ATOM 0 HH21 ARG A 83 -11.362 6.503 -0.627 1.00 70.11 H new ATOM 0 HH22 ARG A 83 -10.274 7.625 -1.451 1.00 70.11 H new ATOM 1305 N LEU A 84 -14.120 2.441 -0.389 1.00 54.14 N ATOM 1306 CA LEU A 84 -15.377 1.987 0.203 1.00 10.33 C ATOM 1307 C LEU A 84 -15.815 0.660 -0.405 1.00 45.12 C ATOM 1308 O LEU A 84 -17.009 0.378 -0.528 1.00 10.21 O ATOM 1309 CB LEU A 84 -16.474 3.029 -0.001 1.00 53.21 C ATOM 1310 CG LEU A 84 -16.304 4.327 0.789 1.00 21.13 C ATOM 1311 CD1 LEU A 84 -17.433 5.294 0.471 1.00 1.22 C ATOM 1312 CD2 LEU A 84 -16.250 4.041 2.283 1.00 21.33 C ATOM 0 H LEU A 84 -14.229 3.114 -1.148 1.00 54.14 H new ATOM 0 HA LEU A 84 -15.211 1.848 1.271 1.00 10.33 H new ATOM 0 HB2 LEU A 84 -16.526 3.274 -1.062 1.00 53.21 H new ATOM 0 HB3 LEU A 84 -17.431 2.582 0.270 1.00 53.21 H new ATOM 0 HG LEU A 84 -15.361 4.788 0.495 1.00 21.13 H new ATOM 0 HD11 LEU A 84 -17.297 6.213 1.042 1.00 1.22 H new ATOM 0 HD12 LEU A 84 -17.426 5.524 -0.594 1.00 1.22 H new ATOM 0 HD13 LEU A 84 -18.387 4.840 0.737 1.00 1.22 H new ATOM 0 HD21 LEU A 84 -16.129 4.977 2.828 1.00 21.33 H new ATOM 0 HD22 LEU A 84 -17.176 3.557 2.594 1.00 21.33 H new ATOM 0 HD23 LEU A 84 -15.407 3.384 2.497 1.00 21.33 H new ATOM 1324 N GLU A 85 -14.844 -0.161 -0.756 1.00 53.25 N ATOM 1325 CA GLU A 85 -15.118 -1.425 -1.413 1.00 62.33 C ATOM 1326 C GLU A 85 -15.453 -2.519 -0.418 1.00 32.32 C ATOM 1327 O GLU A 85 -15.059 -2.482 0.752 1.00 42.24 O ATOM 1328 CB GLU A 85 -13.934 -1.887 -2.254 1.00 23.51 C ATOM 1329 CG GLU A 85 -13.594 -0.972 -3.413 1.00 54.44 C ATOM 1330 CD GLU A 85 -12.511 -1.554 -4.296 1.00 14.11 C ATOM 1331 OE1 GLU A 85 -12.497 -2.790 -4.487 1.00 1.24 O ATOM 1332 OE2 GLU A 85 -11.689 -0.781 -4.821 1.00 35.51 O ATOM 0 H GLU A 85 -13.854 0.026 -0.596 1.00 53.25 H new ATOM 0 HA GLU A 85 -15.979 -1.248 -2.057 1.00 62.33 H new ATOM 0 HB2 GLU A 85 -13.060 -1.977 -1.610 1.00 23.51 H new ATOM 0 HB3 GLU A 85 -14.147 -2.883 -2.643 1.00 23.51 H new ATOM 0 HG2 GLU A 85 -14.489 -0.793 -4.008 1.00 54.44 H new ATOM 0 HG3 GLU A 85 -13.268 -0.006 -3.028 1.00 54.44 H new ATOM 1339 N HIS A 86 -16.166 -3.500 -0.929 1.00 11.42 N ATOM 1340 CA HIS A 86 -16.544 -4.694 -0.195 1.00 23.20 C ATOM 1341 C HIS A 86 -17.000 -5.745 -1.189 1.00 44.23 C ATOM 1342 O HIS A 86 -18.150 -5.741 -1.622 1.00 15.53 O ATOM 1343 CB HIS A 86 -17.656 -4.407 0.820 1.00 4.42 C ATOM 1344 CG HIS A 86 -17.162 -4.266 2.226 1.00 14.24 C ATOM 1345 ND1 HIS A 86 -17.192 -3.082 2.930 1.00 52.02 N ATOM 1346 CD2 HIS A 86 -16.613 -5.181 3.060 1.00 64.04 C ATOM 1347 CE1 HIS A 86 -16.683 -3.275 4.131 1.00 53.44 C ATOM 1348 NE2 HIS A 86 -16.324 -4.541 4.237 1.00 41.31 N ATOM 0 H HIS A 86 -16.508 -3.491 -1.890 1.00 11.42 H new ATOM 0 HA HIS A 86 -15.681 -5.051 0.367 1.00 23.20 H new ATOM 0 HB2 HIS A 86 -18.172 -3.491 0.532 1.00 4.42 H new ATOM 0 HB3 HIS A 86 -18.389 -5.212 0.780 1.00 4.42 H new ATOM 0 HD2 HIS A 86 -16.436 -6.223 2.838 1.00 64.04 H new ATOM 0 HE1 HIS A 86 -16.577 -2.523 4.899 1.00 53.44 H new ATOM 0 HE2 HIS A 86 -15.901 -4.972 5.059 1.00 41.31 H new ATOM 1357 N HIS A 87 -16.074 -6.610 -1.583 1.00 60.43 N ATOM 1358 CA HIS A 87 -16.355 -7.621 -2.593 1.00 60.21 C ATOM 1359 C HIS A 87 -17.374 -8.623 -2.079 1.00 34.14 C ATOM 1360 O HIS A 87 -18.320 -8.965 -2.786 1.00 73.32 O ATOM 1361 CB HIS A 87 -15.070 -8.335 -3.009 1.00 60.54 C ATOM 1362 CG HIS A 87 -14.812 -8.278 -4.482 1.00 44.03 C ATOM 1363 ND1 HIS A 87 -14.102 -7.258 -5.078 1.00 61.20 N ATOM 1364 CD2 HIS A 87 -15.166 -9.120 -5.479 1.00 33.41 C ATOM 1365 CE1 HIS A 87 -14.030 -7.477 -6.378 1.00 52.12 C ATOM 1366 NE2 HIS A 87 -14.668 -8.599 -6.645 1.00 20.55 N ATOM 0 H HIS A 87 -15.122 -6.631 -1.218 1.00 60.43 H new ATOM 0 HA HIS A 87 -16.773 -7.123 -3.468 1.00 60.21 H new ATOM 0 HB2 HIS A 87 -14.227 -7.888 -2.482 1.00 60.54 H new ATOM 0 HB3 HIS A 87 -15.124 -9.378 -2.697 1.00 60.54 H new ATOM 0 HD2 HIS A 87 -15.735 -10.032 -5.376 1.00 33.41 H new ATOM 0 HE1 HIS A 87 -13.533 -6.845 -7.099 1.00 52.12 H new ATOM 0 HE2 HIS A 87 -14.774 -9.013 -7.571 1.00 20.55 H new ATOM 1375 N HIS A 88 -17.162 -9.089 -0.846 1.00 52.54 N ATOM 1376 CA HIS A 88 -18.100 -9.982 -0.170 1.00 13.22 C ATOM 1377 C HIS A 88 -18.262 -11.303 -0.923 1.00 13.11 C ATOM 1378 O HIS A 88 -19.106 -11.433 -1.807 1.00 44.13 O ATOM 1379 CB HIS A 88 -19.460 -9.288 0.015 1.00 12.34 C ATOM 1380 CG HIS A 88 -20.529 -10.163 0.600 1.00 22.41 C ATOM 1381 ND1 HIS A 88 -21.639 -10.553 -0.112 1.00 55.12 N ATOM 1382 CD2 HIS A 88 -20.657 -10.718 1.829 1.00 1.42 C ATOM 1383 CE1 HIS A 88 -22.406 -11.310 0.647 1.00 41.25 C ATOM 1384 NE2 HIS A 88 -21.833 -11.428 1.830 1.00 55.12 N ATOM 0 H HIS A 88 -16.338 -8.858 -0.292 1.00 52.54 H new ATOM 0 HA HIS A 88 -17.690 -10.216 0.813 1.00 13.22 H new ATOM 0 HB2 HIS A 88 -19.326 -8.419 0.659 1.00 12.34 H new ATOM 0 HB3 HIS A 88 -19.800 -8.918 -0.952 1.00 12.34 H new ATOM 0 HD2 HIS A 88 -19.965 -10.621 2.653 1.00 1.42 H new ATOM 0 HE1 HIS A 88 -23.343 -11.757 0.351 1.00 41.25 H new ATOM 0 HE2 HIS A 88 -22.203 -11.960 2.617 1.00 55.12 H new ATOM 1393 N HIS A 89 -17.437 -12.276 -0.576 1.00 51.33 N ATOM 1394 CA HIS A 89 -17.530 -13.597 -1.180 1.00 13.42 C ATOM 1395 C HIS A 89 -17.052 -14.645 -0.184 1.00 23.32 C ATOM 1396 O HIS A 89 -17.835 -15.481 0.267 1.00 65.00 O ATOM 1397 CB HIS A 89 -16.697 -13.665 -2.468 1.00 73.51 C ATOM 1398 CG HIS A 89 -17.063 -14.810 -3.373 1.00 23.00 C ATOM 1399 ND1 HIS A 89 -17.446 -14.633 -4.683 1.00 64.20 N ATOM 1400 CD2 HIS A 89 -17.097 -16.146 -3.154 1.00 55.03 C ATOM 1401 CE1 HIS A 89 -17.703 -15.806 -5.227 1.00 54.35 C ATOM 1402 NE2 HIS A 89 -17.501 -16.745 -4.323 1.00 4.21 N ATOM 0 H HIS A 89 -16.697 -12.178 0.119 1.00 51.33 H new ATOM 0 HA HIS A 89 -18.570 -13.795 -1.440 1.00 13.42 H new ATOM 0 HB2 HIS A 89 -16.816 -12.730 -3.015 1.00 73.51 H new ATOM 0 HB3 HIS A 89 -15.643 -13.747 -2.203 1.00 73.51 H new ATOM 0 HD2 HIS A 89 -16.852 -16.649 -2.230 1.00 55.03 H new ATOM 0 HE1 HIS A 89 -18.026 -15.971 -6.244 1.00 54.35 H new ATOM 0 HE2 HIS A 89 -17.624 -17.747 -4.467 1.00 4.21 H new ATOM 1411 N HIS A 90 -15.762 -14.565 0.152 1.00 14.44 N ATOM 1412 CA HIS A 90 -15.120 -15.473 1.109 1.00 55.33 C ATOM 1413 C HIS A 90 -15.001 -16.882 0.531 1.00 22.32 C ATOM 1414 O HIS A 90 -15.896 -17.366 -0.160 1.00 64.35 O ATOM 1415 CB HIS A 90 -15.893 -15.513 2.436 1.00 20.51 C ATOM 1416 CG HIS A 90 -15.110 -16.086 3.580 1.00 55.24 C ATOM 1417 ND1 HIS A 90 -14.874 -17.435 3.753 1.00 32.11 N ATOM 1418 CD2 HIS A 90 -14.502 -15.469 4.617 1.00 41.44 C ATOM 1419 CE1 HIS A 90 -14.158 -17.615 4.847 1.00 75.24 C ATOM 1420 NE2 HIS A 90 -13.918 -16.438 5.388 1.00 42.23 N ATOM 0 H HIS A 90 -15.129 -13.865 -0.234 1.00 14.44 H new ATOM 0 HA HIS A 90 -14.118 -15.090 1.303 1.00 55.33 H new ATOM 0 HB2 HIS A 90 -16.205 -14.501 2.693 1.00 20.51 H new ATOM 0 HB3 HIS A 90 -16.800 -16.102 2.299 1.00 20.51 H new ATOM 0 HD1 HIS A 90 -15.201 -18.176 3.133 1.00 32.11 H new ATOM 0 HD2 HIS A 90 -14.481 -14.405 4.804 1.00 41.44 H new ATOM 0 HE1 HIS A 90 -13.825 -18.567 5.234 1.00 75.24 H new ATOM 1429 N HIS A 91 -13.885 -17.532 0.799 1.00 53.40 N ATOM 1430 CA HIS A 91 -13.700 -18.910 0.380 1.00 14.21 C ATOM 1431 C HIS A 91 -13.730 -19.809 1.613 1.00 23.14 C ATOM 1432 O HIS A 91 -12.713 -20.468 1.914 1.00 36.44 O ATOM 1433 CB HIS A 91 -12.382 -19.059 -0.393 1.00 73.40 C ATOM 1434 CG HIS A 91 -12.211 -20.393 -1.060 1.00 52.11 C ATOM 1435 ND1 HIS A 91 -12.852 -20.743 -2.228 1.00 0.55 N ATOM 1436 CD2 HIS A 91 -11.470 -21.468 -0.709 1.00 54.41 C ATOM 1437 CE1 HIS A 91 -12.514 -21.972 -2.561 1.00 74.40 C ATOM 1438 NE2 HIS A 91 -11.676 -22.441 -1.655 1.00 62.21 N ATOM 1439 OXT HIS A 91 -14.760 -19.800 2.315 1.00 36.44 O ATOM 0 H HIS A 91 -13.094 -17.131 1.303 1.00 53.40 H new ATOM 0 HA HIS A 91 -14.506 -19.208 -0.291 1.00 14.21 H new ATOM 0 HB2 HIS A 91 -12.326 -18.276 -1.150 1.00 73.40 H new ATOM 0 HB3 HIS A 91 -11.550 -18.898 0.293 1.00 73.40 H new ATOM 0 HD2 HIS A 91 -10.832 -21.547 0.159 1.00 54.41 H new ATOM 0 HE1 HIS A 91 -12.864 -22.507 -3.431 1.00 74.40 H new ATOM 0 HE2 HIS A 91 -11.253 -23.369 -1.658 1.00 62.21 H new TER 1448 HIS A 91