USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 735 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 94 ASN : amide:sc= -1.01 K(o=0.54,f=-10!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -147:sc= 1.55 (180deg=0.603) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -151:sc= -4.64! (180deg=-8.96!) USER MOD Set 2.2: A 77 TYR OH : rot -72:sc= 0.0159 USER MOD Set 3.1: A 49 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.8!) USER MOD Set 3.2: A 50 GLN : amide:sc= 0 X(o=-1.5,f=-1.5) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.023) USER MOD Single : A 10 SER OG : rot 180:sc= -0.18 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 15 SER OG : rot 180:sc= -0.628 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 0.161 (180deg=-0.0258) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 39 SER OG : rot -142:sc= -0.138 USER MOD Single : A 41 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.32 K(o=-1.3,f=0.12) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.45) USER MOD Single : A 61 SER OG : rot -172:sc= -0.685 USER MOD Single : A 62 SER OG : rot -143:sc= -2.31! USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 65 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.545 X(o=-0.55,f=-0.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 87 THR OG1 : rot 96:sc= 0.273 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.05 X(o=-1,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -19.891 7.876 2.680 1.00 0.00 N ATOM 2 CA ARG A 1 -20.251 6.481 2.315 1.00 0.00 C ATOM 3 C ARG A 1 -19.601 5.481 3.280 1.00 0.00 C ATOM 4 O ARG A 1 -19.069 5.874 4.320 1.00 0.00 O ATOM 5 CB ARG A 1 -19.808 6.226 0.855 1.00 0.00 C ATOM 6 CG ARG A 1 -20.962 5.933 -0.095 1.00 0.00 C ATOM 7 CD ARG A 1 -21.319 4.453 -0.115 1.00 0.00 C ATOM 8 NE ARG A 1 -22.059 4.083 -1.326 1.00 0.00 N ATOM 9 CZ ARG A 1 -23.333 4.419 -1.578 1.00 0.00 C ATOM 10 NH1 ARG A 1 -24.049 5.134 -0.710 1.00 0.00 N ATOM 11 NH2 ARG A 1 -23.896 4.031 -2.715 1.00 0.00 N ATOM 0 H1 ARG A 1 -20.341 8.536 2.014 1.00 0.00 H new ATOM 0 H2 ARG A 1 -20.221 8.079 3.645 1.00 0.00 H new ATOM 0 H3 ARG A 1 -18.858 7.991 2.636 1.00 0.00 H new ATOM 0 HA ARG A 1 -21.329 6.343 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -19.264 7.098 0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.113 5.387 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -21.835 6.513 0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -20.695 6.256 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -20.407 3.859 -0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -21.918 4.213 0.764 1.00 0.00 H new ATOM 0 HE ARG A 1 -21.569 3.529 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -23.630 5.438 0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -25.016 5.377 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -23.361 3.482 -3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -24.864 4.281 -2.916 1.00 0.00 H new ATOM 27 N VAL A 2 -19.650 4.191 2.926 1.00 0.00 N ATOM 28 CA VAL A 2 -19.068 3.129 3.756 1.00 0.00 C ATOM 29 C VAL A 2 -17.683 2.729 3.247 1.00 0.00 C ATOM 30 O VAL A 2 -17.517 1.691 2.602 1.00 0.00 O ATOM 31 CB VAL A 2 -19.982 1.875 3.849 1.00 0.00 C ATOM 32 CG1 VAL A 2 -21.091 2.100 4.865 1.00 0.00 C ATOM 33 CG2 VAL A 2 -20.566 1.486 2.495 1.00 0.00 C ATOM 0 H VAL A 2 -20.088 3.857 2.068 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.974 3.542 4.760 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.359 1.044 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.722 1.213 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.653 2.293 5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -21.694 2.956 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.197 0.605 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.162 2.311 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.756 1.264 1.800 1.00 0.00 H new ATOM 43 N LEU A 3 -16.681 3.566 3.545 1.00 0.00 N ATOM 44 CA LEU A 3 -15.307 3.304 3.121 1.00 0.00 C ATOM 45 C LEU A 3 -14.297 3.869 4.115 1.00 0.00 C ATOM 46 O LEU A 3 -14.389 5.035 4.509 1.00 0.00 O ATOM 47 CB LEU A 3 -15.037 3.911 1.741 1.00 0.00 C ATOM 48 CG LEU A 3 -16.039 3.545 0.647 1.00 0.00 C ATOM 49 CD1 LEU A 3 -15.808 4.409 -0.581 1.00 0.00 C ATOM 50 CD2 LEU A 3 -15.931 2.069 0.291 1.00 0.00 C ATOM 0 H LEU A 3 -16.800 4.428 4.077 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.191 2.221 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.016 4.996 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.044 3.601 1.416 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.046 3.730 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.527 4.141 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.935 5.459 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.796 4.248 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.653 1.829 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.924 1.854 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.138 1.465 1.175 1.00 0.00 H new ATOM 62 N GLN A 4 -13.327 3.038 4.503 1.00 0.00 N ATOM 63 CA GLN A 4 -12.282 3.444 5.436 1.00 0.00 C ATOM 64 C GLN A 4 -10.970 2.739 5.101 1.00 0.00 C ATOM 65 O GLN A 4 -10.959 1.532 4.854 1.00 0.00 O ATOM 66 CB GLN A 4 -12.698 3.122 6.873 1.00 0.00 C ATOM 67 CG GLN A 4 -11.873 3.849 7.937 1.00 0.00 C ATOM 68 CD GLN A 4 -12.727 4.569 8.971 1.00 0.00 C ATOM 69 OE1 GLN A 4 -12.531 4.403 10.174 1.00 0.00 O ATOM 70 NE2 GLN A 4 -13.681 5.376 8.506 1.00 0.00 N ATOM 0 H GLN A 4 -13.247 2.074 4.181 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.136 4.520 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.749 3.381 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.612 2.047 7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.231 3.129 8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.219 4.572 7.449 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.811 5.486 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.281 5.884 9.156 1.00 0.00 H new ATOM 79 N VAL A 5 -9.871 3.498 5.091 1.00 0.00 N ATOM 80 CA VAL A 5 -8.548 2.945 4.783 1.00 0.00 C ATOM 81 C VAL A 5 -7.472 3.626 5.631 1.00 0.00 C ATOM 82 O VAL A 5 -7.507 4.844 5.822 1.00 0.00 O ATOM 83 CB VAL A 5 -8.171 3.107 3.283 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.949 2.263 2.947 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.330 2.737 2.361 1.00 0.00 C ATOM 0 H VAL A 5 -9.871 4.498 5.293 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.598 1.881 5.013 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.938 4.159 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.699 2.388 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.106 2.582 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.166 1.214 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.024 2.864 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.613 1.698 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.182 3.384 2.570 1.00 0.00 H new ATOM 95 N ASP A 6 -6.512 2.835 6.120 1.00 0.00 N ATOM 96 CA ASP A 6 -5.417 3.365 6.930 1.00 0.00 C ATOM 97 C ASP A 6 -4.207 2.448 6.851 1.00 0.00 C ATOM 98 O ASP A 6 -4.296 1.272 7.194 1.00 0.00 O ATOM 99 CB ASP A 6 -5.841 3.531 8.385 1.00 0.00 C ATOM 100 CG ASP A 6 -6.851 4.645 8.577 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.454 5.826 8.492 1.00 0.00 O ATOM 102 OD2 ASP A 6 -8.037 4.336 8.813 1.00 0.00 O ATOM 0 H ASP A 6 -6.473 1.827 5.968 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.152 4.345 6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.267 2.594 8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.961 3.735 8.995 1.00 0.00 H new ATOM 107 N ILE A 7 -3.081 2.991 6.390 1.00 0.00 N ATOM 108 CA ILE A 7 -1.848 2.213 6.251 1.00 0.00 C ATOM 109 C ILE A 7 -1.016 2.269 7.534 1.00 0.00 C ATOM 110 O ILE A 7 -0.862 3.331 8.140 1.00 0.00 O ATOM 111 CB ILE A 7 -1.011 2.700 5.035 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.891 2.720 3.775 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.208 1.809 4.814 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.213 3.304 2.553 1.00 0.00 C ATOM 0 H ILE A 7 -2.996 3.967 6.106 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.131 1.176 6.073 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.655 3.709 5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.206 1.701 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.794 3.294 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.775 2.173 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.840 1.830 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.118 0.786 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.902 3.281 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.922 4.335 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.326 2.717 2.314 1.00 0.00 H new ATOM 126 N VAL A 8 -0.488 1.106 7.943 1.00 0.00 N ATOM 127 CA VAL A 8 0.325 0.996 9.158 1.00 0.00 C ATOM 128 C VAL A 8 1.729 0.445 8.823 1.00 0.00 C ATOM 129 O VAL A 8 1.833 -0.599 8.175 1.00 0.00 O ATOM 130 CB VAL A 8 -0.342 0.060 10.201 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.397 0.106 11.535 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.811 0.415 10.402 1.00 0.00 C ATOM 0 H VAL A 8 -0.612 0.225 7.445 1.00 0.00 H new ATOM 0 HA VAL A 8 0.411 1.997 9.581 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.284 -0.955 9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.093 -0.560 12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.429 -0.214 11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.384 1.124 11.923 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.251 -0.258 11.138 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.892 1.443 10.756 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.342 0.315 9.456 1.00 0.00 H new ATOM 142 N PRO A 9 2.839 1.115 9.254 1.00 0.00 N ATOM 143 CA PRO A 9 2.822 2.370 10.033 1.00 0.00 C ATOM 144 C PRO A 9 2.450 3.576 9.170 1.00 0.00 C ATOM 145 O PRO A 9 2.082 3.418 8.003 1.00 0.00 O ATOM 146 CB PRO A 9 4.260 2.485 10.538 1.00 0.00 C ATOM 147 CG PRO A 9 5.068 1.813 9.488 1.00 0.00 C ATOM 148 CD PRO A 9 4.224 0.671 8.989 1.00 0.00 C ATOM 0 HA PRO A 9 2.079 2.355 10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.556 3.526 10.663 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.382 2.000 11.506 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.310 2.503 8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.014 1.453 9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.389 0.486 7.928 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.454 -0.256 9.514 1.00 0.00 H new ATOM 156 N SER A 10 2.550 4.777 9.749 1.00 0.00 N ATOM 157 CA SER A 10 2.229 6.008 9.030 1.00 0.00 C ATOM 158 C SER A 10 3.440 6.499 8.239 1.00 0.00 C ATOM 159 O SER A 10 3.335 6.784 7.045 1.00 0.00 O ATOM 160 CB SER A 10 1.765 7.091 10.005 1.00 0.00 C ATOM 161 OG SER A 10 2.820 7.494 10.862 1.00 0.00 O ATOM 0 H SER A 10 2.851 4.920 10.713 1.00 0.00 H new ATOM 0 HA SER A 10 1.420 5.794 8.332 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.396 7.952 9.448 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.932 6.716 10.600 1.00 0.00 H new ATOM 0 HG SER A 10 2.497 8.188 11.474 1.00 0.00 H new ATOM 167 N GLN A 11 4.592 6.585 8.915 1.00 0.00 N ATOM 168 CA GLN A 11 5.839 7.029 8.286 1.00 0.00 C ATOM 169 C GLN A 11 6.976 6.072 8.630 1.00 0.00 C ATOM 170 O GLN A 11 7.488 6.087 9.752 1.00 0.00 O ATOM 171 CB GLN A 11 6.194 8.446 8.747 1.00 0.00 C ATOM 172 CG GLN A 11 6.250 8.598 10.259 1.00 0.00 C ATOM 173 CD GLN A 11 6.095 10.041 10.705 1.00 0.00 C ATOM 174 OE1 GLN A 11 5.046 10.653 10.498 1.00 0.00 O ATOM 175 NE2 GLN A 11 7.137 10.597 11.320 1.00 0.00 N ATOM 0 H GLN A 11 4.685 6.351 9.903 1.00 0.00 H new ATOM 0 HA GLN A 11 5.696 7.035 7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.160 8.725 8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.459 9.144 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.462 7.995 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.200 8.208 10.625 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.988 10.055 11.472 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.084 11.564 11.639 1.00 0.00 H new ATOM 184 N GLY A 12 7.354 5.225 7.662 1.00 0.00 N ATOM 185 CA GLY A 12 8.416 4.251 7.877 1.00 0.00 C ATOM 186 C GLY A 12 9.758 4.679 7.308 1.00 0.00 C ATOM 187 O GLY A 12 9.820 5.305 6.251 1.00 0.00 O ATOM 0 H GLY A 12 6.939 5.200 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.524 4.074 8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.125 3.303 7.425 1.00 0.00 H new ATOM 191 N GLU A 13 10.838 4.310 8.009 1.00 0.00 N ATOM 192 CA GLU A 13 12.205 4.613 7.579 1.00 0.00 C ATOM 193 C GLU A 13 13.000 3.309 7.553 1.00 0.00 C ATOM 194 O GLU A 13 12.963 2.545 8.521 1.00 0.00 O ATOM 195 CB GLU A 13 12.870 5.619 8.526 1.00 0.00 C ATOM 196 CG GLU A 13 12.597 7.074 8.164 1.00 0.00 C ATOM 197 CD GLU A 13 11.424 7.663 8.925 1.00 0.00 C ATOM 198 OE1 GLU A 13 11.480 7.695 10.172 1.00 0.00 O ATOM 199 OE2 GLU A 13 10.450 8.095 8.273 1.00 0.00 O ATOM 0 H GLU A 13 10.787 3.794 8.888 1.00 0.00 H new ATOM 0 HA GLU A 13 12.182 5.062 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.520 5.435 9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.947 5.449 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.489 7.667 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.402 7.146 7.094 1.00 0.00 H new ATOM 206 N ILE A 14 13.684 3.037 6.439 1.00 0.00 N ATOM 207 CA ILE A 14 14.448 1.793 6.291 1.00 0.00 C ATOM 208 C ILE A 14 15.770 2.037 5.544 1.00 0.00 C ATOM 209 O ILE A 14 15.954 3.080 4.926 1.00 0.00 O ATOM 210 CB ILE A 14 13.552 0.740 5.551 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.326 0.403 6.422 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.303 -0.540 5.173 1.00 0.00 C ATOM 213 CD1 ILE A 14 11.124 1.292 6.166 1.00 0.00 C ATOM 0 H ILE A 14 13.725 3.657 5.630 1.00 0.00 H new ATOM 0 HA ILE A 14 14.715 1.408 7.275 1.00 0.00 H new ATOM 0 HB ILE A 14 13.236 1.195 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.042 -0.634 6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.607 0.482 7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.623 -1.224 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.132 -0.293 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.689 -1.015 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.304 0.991 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.388 2.329 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.815 1.195 5.125 1.00 0.00 H new ATOM 225 N SER A 15 16.687 1.062 5.614 1.00 0.00 N ATOM 226 CA SER A 15 17.983 1.153 4.941 1.00 0.00 C ATOM 227 C SER A 15 17.993 0.245 3.705 1.00 0.00 C ATOM 228 O SER A 15 17.222 -0.720 3.628 1.00 0.00 O ATOM 229 CB SER A 15 19.125 0.768 5.897 1.00 0.00 C ATOM 230 OG SER A 15 18.652 0.020 7.007 1.00 0.00 O ATOM 0 H SER A 15 16.550 0.196 6.135 1.00 0.00 H new ATOM 0 HA SER A 15 18.139 2.185 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.871 0.185 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.622 1.671 6.252 1.00 0.00 H new ATOM 0 HG SER A 15 19.404 -0.209 7.592 1.00 0.00 H new ATOM 236 N VAL A 16 18.880 0.549 2.747 1.00 0.00 N ATOM 237 CA VAL A 16 18.994 -0.248 1.514 1.00 0.00 C ATOM 238 C VAL A 16 19.414 -1.682 1.843 1.00 0.00 C ATOM 239 O VAL A 16 20.283 -1.902 2.692 1.00 0.00 O ATOM 240 CB VAL A 16 20.002 0.370 0.504 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.950 -0.352 -0.839 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.735 1.856 0.302 1.00 0.00 C ATOM 0 H VAL A 16 19.526 1.336 2.800 1.00 0.00 H new ATOM 0 HA VAL A 16 18.010 -0.250 1.045 1.00 0.00 H new ATOM 0 HB VAL A 16 20.999 0.248 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.666 0.102 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.201 -1.403 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.946 -0.272 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.455 2.262 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.725 1.995 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.834 2.376 1.255 1.00 0.00 H new ATOM 252 N GLY A 17 18.769 -2.648 1.182 1.00 0.00 N ATOM 253 CA GLY A 17 19.059 -4.052 1.433 1.00 0.00 C ATOM 254 C GLY A 17 18.178 -4.656 2.525 1.00 0.00 C ATOM 255 O GLY A 17 18.199 -5.871 2.731 1.00 0.00 O ATOM 0 H GLY A 17 18.051 -2.481 0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.923 -4.616 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.106 -4.156 1.719 1.00 0.00 H new ATOM 259 N GLU A 18 17.392 -3.813 3.222 1.00 0.00 N ATOM 260 CA GLU A 18 16.496 -4.277 4.282 1.00 0.00 C ATOM 261 C GLU A 18 15.079 -4.358 3.733 1.00 0.00 C ATOM 262 O GLU A 18 14.745 -3.638 2.792 1.00 0.00 O ATOM 263 CB GLU A 18 16.536 -3.328 5.490 1.00 0.00 C ATOM 264 CG GLU A 18 17.927 -2.814 5.861 1.00 0.00 C ATOM 265 CD GLU A 18 18.312 -3.092 7.306 1.00 0.00 C ATOM 266 OE1 GLU A 18 17.501 -2.789 8.205 1.00 0.00 O ATOM 267 OE2 GLU A 18 19.424 -3.614 7.534 1.00 0.00 O ATOM 0 H GLU A 18 17.364 -2.806 3.064 1.00 0.00 H new ATOM 0 HA GLU A 18 16.823 -5.262 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.892 -2.473 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.114 -3.844 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.663 -3.275 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.968 -1.739 5.683 1.00 0.00 H new ATOM 274 N SER A 19 14.249 -5.235 4.304 1.00 0.00 N ATOM 275 CA SER A 19 12.870 -5.396 3.836 1.00 0.00 C ATOM 276 C SER A 19 11.871 -4.651 4.723 1.00 0.00 C ATOM 277 O SER A 19 11.934 -4.719 5.951 1.00 0.00 O ATOM 278 CB SER A 19 12.505 -6.875 3.744 1.00 0.00 C ATOM 279 OG SER A 19 12.809 -7.556 4.948 1.00 0.00 O ATOM 0 H SER A 19 14.505 -5.840 5.085 1.00 0.00 H new ATOM 0 HA SER A 19 12.812 -4.955 2.841 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.442 -6.976 3.525 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.046 -7.335 2.917 1.00 0.00 H new ATOM 0 HG SER A 19 12.563 -8.501 4.861 1.00 0.00 H new ATOM 285 N LYS A 20 10.945 -3.943 4.070 1.00 0.00 N ATOM 286 CA LYS A 20 9.900 -3.167 4.749 1.00 0.00 C ATOM 287 C LYS A 20 8.530 -3.732 4.391 1.00 0.00 C ATOM 288 O LYS A 20 8.424 -4.582 3.510 1.00 0.00 O ATOM 289 CB LYS A 20 9.961 -1.692 4.306 1.00 0.00 C ATOM 290 CG LYS A 20 9.987 -1.525 2.792 1.00 0.00 C ATOM 291 CD LYS A 20 9.943 -0.058 2.347 1.00 0.00 C ATOM 292 CE LYS A 20 10.944 0.233 1.241 1.00 0.00 C ATOM 293 NZ LYS A 20 10.555 1.409 0.399 1.00 0.00 N ATOM 0 H LYS A 20 10.898 -3.891 3.052 1.00 0.00 H new ATOM 0 HA LYS A 20 10.061 -3.230 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.099 -1.161 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.850 -1.227 4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.889 -1.991 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.138 -2.055 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.939 0.185 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.150 0.586 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.923 0.417 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.041 -0.647 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.932 1.287 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.518 1.479 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.944 2.279 0.816 1.00 0.00 H new ATOM 307 N PHE A 21 7.486 -3.243 5.053 1.00 0.00 N ATOM 308 CA PHE A 21 6.124 -3.684 4.759 1.00 0.00 C ATOM 309 C PHE A 21 5.109 -2.691 5.328 1.00 0.00 C ATOM 310 O PHE A 21 5.380 -2.033 6.336 1.00 0.00 O ATOM 311 CB PHE A 21 5.897 -5.149 5.218 1.00 0.00 C ATOM 312 CG PHE A 21 5.092 -5.358 6.485 1.00 0.00 C ATOM 313 CD1 PHE A 21 5.497 -4.794 7.682 1.00 0.00 C ATOM 314 CD2 PHE A 21 3.934 -6.119 6.462 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.761 -4.985 8.837 1.00 0.00 C ATOM 316 CE2 PHE A 21 3.193 -6.315 7.612 1.00 0.00 C ATOM 317 CZ PHE A 21 3.608 -5.747 8.802 1.00 0.00 C ATOM 0 H PHE A 21 7.555 -2.545 5.793 1.00 0.00 H new ATOM 0 HA PHE A 21 5.972 -3.693 3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.400 -5.684 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.872 -5.615 5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.397 -4.198 7.714 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.607 -6.564 5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.087 -4.539 9.765 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.292 -6.910 7.581 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.032 -5.898 9.703 1.00 0.00 H new ATOM 327 N PHE A 22 3.953 -2.580 4.670 1.00 0.00 N ATOM 328 CA PHE A 22 2.909 -1.653 5.113 1.00 0.00 C ATOM 329 C PHE A 22 1.535 -2.301 5.019 1.00 0.00 C ATOM 330 O PHE A 22 0.985 -2.486 3.933 1.00 0.00 O ATOM 331 CB PHE A 22 2.994 -0.354 4.311 1.00 0.00 C ATOM 332 CG PHE A 22 4.353 0.264 4.435 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.365 -0.096 3.566 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.633 1.153 5.459 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.635 0.419 3.714 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.901 1.682 5.606 1.00 0.00 C ATOM 337 CZ PHE A 22 6.906 1.310 4.734 1.00 0.00 C ATOM 0 H PHE A 22 3.717 -3.116 3.835 1.00 0.00 H new ATOM 0 HA PHE A 22 3.068 -1.406 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.776 -0.555 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.238 0.347 4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.159 -0.788 2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.852 1.436 6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.419 0.125 3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.106 2.384 6.400 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.901 1.715 4.850 1.00 0.00 H new ATOM 347 N LEU A 23 1.008 -2.671 6.187 1.00 0.00 N ATOM 348 CA LEU A 23 -0.281 -3.345 6.284 1.00 0.00 C ATOM 349 C LEU A 23 -1.453 -2.371 6.167 1.00 0.00 C ATOM 350 O LEU A 23 -1.677 -1.553 7.055 1.00 0.00 O ATOM 351 CB LEU A 23 -0.348 -4.103 7.608 1.00 0.00 C ATOM 352 CG LEU A 23 -1.487 -5.096 7.705 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.293 -6.206 6.683 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.583 -5.666 9.111 1.00 0.00 C ATOM 0 H LEU A 23 1.462 -2.512 7.086 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.366 -4.041 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.593 -4.633 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.440 -3.382 8.421 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.423 -4.581 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.116 -6.917 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.273 -5.778 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.351 -6.719 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.407 -6.377 9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.651 -6.173 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.759 -4.857 9.820 1.00 0.00 H new ATOM 366 N CYS A 24 -2.206 -2.476 5.061 1.00 0.00 N ATOM 367 CA CYS A 24 -3.354 -1.598 4.820 1.00 0.00 C ATOM 368 C CYS A 24 -4.646 -2.188 5.380 1.00 0.00 C ATOM 369 O CYS A 24 -5.187 -3.150 4.835 1.00 0.00 O ATOM 370 CB CYS A 24 -3.515 -1.326 3.321 1.00 0.00 C ATOM 371 SG CYS A 24 -4.408 0.213 2.925 1.00 0.00 S ATOM 0 H CYS A 24 -2.038 -3.160 4.323 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.159 -0.660 5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.526 -1.286 2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.043 -2.165 2.867 1.00 0.00 H new ATOM 376 N GLN A 25 -5.147 -1.582 6.460 1.00 0.00 N ATOM 377 CA GLN A 25 -6.391 -2.019 7.089 1.00 0.00 C ATOM 378 C GLN A 25 -7.553 -1.235 6.501 1.00 0.00 C ATOM 379 O GLN A 25 -7.345 -0.171 5.905 1.00 0.00 O ATOM 380 CB GLN A 25 -6.330 -1.817 8.605 1.00 0.00 C ATOM 381 CG GLN A 25 -5.482 -2.852 9.324 1.00 0.00 C ATOM 382 CD GLN A 25 -5.164 -2.454 10.754 1.00 0.00 C ATOM 383 OE1 GLN A 25 -6.032 -1.973 11.481 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.913 -2.651 11.169 1.00 0.00 N ATOM 0 H GLN A 25 -4.706 -0.784 6.917 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.534 -3.082 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.932 -0.824 8.815 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.342 -1.846 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.005 -3.808 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.551 -2.998 8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.223 -3.053 10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.646 -2.400 12.121 1.00 0.00 H new ATOM 393 N VAL A 26 -8.772 -1.761 6.645 1.00 0.00 N ATOM 394 CA VAL A 26 -9.954 -1.100 6.093 1.00 0.00 C ATOM 395 C VAL A 26 -11.165 -1.187 7.026 1.00 0.00 C ATOM 396 O VAL A 26 -11.111 -1.827 8.078 1.00 0.00 O ATOM 397 CB VAL A 26 -10.316 -1.708 4.718 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.189 -1.466 3.718 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.612 -3.204 4.842 1.00 0.00 C ATOM 0 H VAL A 26 -8.964 -2.635 7.135 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.701 -0.046 5.979 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.217 -1.215 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.458 -1.900 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.030 -0.394 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.273 -1.931 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.864 -3.608 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.733 -3.718 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.450 -3.354 5.522 1.00 0.00 H new ATOM 409 N ALA A 27 -12.258 -0.540 6.613 1.00 0.00 N ATOM 410 CA ALA A 27 -13.503 -0.532 7.379 1.00 0.00 C ATOM 411 C ALA A 27 -14.644 0.042 6.534 1.00 0.00 C ATOM 412 O ALA A 27 -14.429 0.961 5.737 1.00 0.00 O ATOM 413 CB ALA A 27 -13.324 0.250 8.685 1.00 0.00 C ATOM 0 H ALA A 27 -12.303 -0.010 5.743 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.764 -1.558 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.260 0.246 9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.542 -0.217 9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.042 1.278 8.458 1.00 0.00 H new ATOM 419 N GLY A 28 -15.849 -0.512 6.704 1.00 0.00 N ATOM 420 CA GLY A 28 -17.010 -0.058 5.949 1.00 0.00 C ATOM 421 C GLY A 28 -17.885 -1.215 5.502 1.00 0.00 C ATOM 422 O GLY A 28 -17.374 -2.285 5.162 1.00 0.00 O ATOM 0 H GLY A 28 -16.040 -1.272 7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.597 0.625 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.678 0.504 5.076 1.00 0.00 H new ATOM 426 N ASP A 29 -19.208 -1.007 5.509 1.00 0.00 N ATOM 427 CA ASP A 29 -20.162 -2.044 5.108 1.00 0.00 C ATOM 428 C ASP A 29 -20.565 -1.909 3.627 1.00 0.00 C ATOM 429 O ASP A 29 -21.733 -2.102 3.269 1.00 0.00 O ATOM 430 CB ASP A 29 -21.403 -1.981 6.010 1.00 0.00 C ATOM 431 CG ASP A 29 -21.108 -2.404 7.435 1.00 0.00 C ATOM 432 OD1 ASP A 29 -20.812 -3.599 7.650 1.00 0.00 O ATOM 433 OD2 ASP A 29 -21.176 -1.542 8.336 1.00 0.00 O ATOM 0 H ASP A 29 -19.641 -0.127 5.789 1.00 0.00 H new ATOM 0 HA ASP A 29 -19.677 -3.013 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -21.796 -0.964 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -22.181 -2.624 5.597 1.00 0.00 H new ATOM 438 N ALA A 30 -19.589 -1.592 2.764 1.00 0.00 N ATOM 439 CA ALA A 30 -19.844 -1.451 1.329 1.00 0.00 C ATOM 440 C ALA A 30 -20.115 -2.819 0.698 1.00 0.00 C ATOM 441 O ALA A 30 -20.254 -3.813 1.414 1.00 0.00 O ATOM 442 CB ALA A 30 -18.680 -0.742 0.649 1.00 0.00 C ATOM 0 H ALA A 30 -18.620 -1.429 3.037 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.734 -0.838 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.886 -0.645 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -18.552 0.249 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.768 -1.321 0.792 1.00 0.00 H new ATOM 448 N LYS A 31 -20.219 -2.865 -0.639 1.00 0.00 N ATOM 449 CA LYS A 31 -20.507 -4.119 -1.353 1.00 0.00 C ATOM 450 C LYS A 31 -19.334 -4.621 -2.195 1.00 0.00 C ATOM 451 O LYS A 31 -19.264 -5.814 -2.503 1.00 0.00 O ATOM 452 CB LYS A 31 -21.728 -3.931 -2.255 1.00 0.00 C ATOM 453 CG LYS A 31 -23.011 -3.614 -1.498 1.00 0.00 C ATOM 454 CD LYS A 31 -23.170 -2.114 -1.239 1.00 0.00 C ATOM 455 CE LYS A 31 -24.615 -1.659 -1.400 1.00 0.00 C ATOM 456 NZ LYS A 31 -24.823 -0.272 -0.899 1.00 0.00 N ATOM 0 H LYS A 31 -20.109 -2.052 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 31 -20.699 -4.873 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -21.526 -3.125 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -21.878 -4.838 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -23.867 -3.976 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -23.012 -4.148 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -22.826 -1.881 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -22.535 -1.557 -1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -24.896 -1.710 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -25.272 -2.341 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -25.819 -0.002 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.580 -0.228 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -24.216 0.384 -1.430 1.00 0.00 H new ATOM 470 N ASP A 32 -18.436 -3.718 -2.597 1.00 0.00 N ATOM 471 CA ASP A 32 -17.288 -4.090 -3.445 1.00 0.00 C ATOM 472 C ASP A 32 -15.931 -3.671 -2.862 1.00 0.00 C ATOM 473 O ASP A 32 -14.948 -4.378 -3.077 1.00 0.00 O ATOM 474 CB ASP A 32 -17.457 -3.473 -4.835 1.00 0.00 C ATOM 475 CG ASP A 32 -16.557 -4.124 -5.868 1.00 0.00 C ATOM 476 OD1 ASP A 32 -16.388 -5.360 -5.813 1.00 0.00 O ATOM 477 OD2 ASP A 32 -16.020 -3.397 -6.730 1.00 0.00 O ATOM 0 H ASP A 32 -18.476 -2.728 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.282 -5.179 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -18.496 -3.570 -5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.237 -2.407 -4.786 1.00 0.00 H new ATOM 482 N LYS A 33 -15.894 -2.514 -2.155 1.00 0.00 N ATOM 483 CA LYS A 33 -14.674 -1.910 -1.531 1.00 0.00 C ATOM 484 C LYS A 33 -13.340 -2.678 -1.760 1.00 0.00 C ATOM 485 O LYS A 33 -12.737 -3.216 -0.827 1.00 0.00 O ATOM 486 CB LYS A 33 -14.912 -1.691 -0.029 1.00 0.00 C ATOM 487 CG LYS A 33 -15.224 -2.963 0.744 1.00 0.00 C ATOM 488 CD LYS A 33 -15.923 -2.658 2.064 1.00 0.00 C ATOM 489 CE LYS A 33 -14.996 -1.953 3.048 1.00 0.00 C ATOM 490 NZ LYS A 33 -13.937 -2.857 3.587 1.00 0.00 N ATOM 0 H LYS A 33 -16.732 -1.954 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.533 -0.962 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.027 -1.224 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.737 -0.990 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.856 -3.612 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.300 -3.508 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.796 -2.033 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.284 -3.586 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.526 -1.103 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.584 -1.555 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.125 -3.053 4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.939 -3.750 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.008 -2.399 3.492 1.00 0.00 H new ATOM 504 N ASP A 34 -12.900 -2.705 -3.024 1.00 0.00 N ATOM 505 CA ASP A 34 -11.657 -3.373 -3.423 1.00 0.00 C ATOM 506 C ASP A 34 -10.445 -2.619 -2.885 1.00 0.00 C ATOM 507 O ASP A 34 -10.602 -1.587 -2.241 1.00 0.00 O ATOM 508 CB ASP A 34 -11.575 -3.444 -4.953 1.00 0.00 C ATOM 509 CG ASP A 34 -12.395 -4.583 -5.527 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.214 -5.732 -5.070 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.216 -4.327 -6.432 1.00 0.00 O ATOM 0 H ASP A 34 -13.396 -2.264 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.657 -4.381 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.922 -2.501 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.534 -3.563 -5.253 1.00 0.00 H new ATOM 516 N ILE A 35 -9.236 -3.137 -3.171 1.00 0.00 N ATOM 517 CA ILE A 35 -7.980 -2.510 -2.728 1.00 0.00 C ATOM 518 C ILE A 35 -6.991 -2.380 -3.898 1.00 0.00 C ATOM 519 O ILE A 35 -7.059 -3.137 -4.867 1.00 0.00 O ATOM 520 CB ILE A 35 -7.297 -3.320 -1.585 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.291 -3.614 -0.455 1.00 0.00 C ATOM 522 CG2 ILE A 35 -6.073 -2.578 -1.034 1.00 0.00 C ATOM 523 CD1 ILE A 35 -9.172 -4.822 -0.716 1.00 0.00 C ATOM 0 H ILE A 35 -9.104 -3.993 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.242 -1.521 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.961 -4.267 -2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.738 -3.772 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.924 -2.740 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.618 -3.168 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.348 -2.427 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.382 -1.611 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.849 -4.968 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.752 -4.660 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.548 -5.708 -0.838 1.00 0.00 H new ATOM 535 N SER A 36 -6.067 -1.419 -3.779 1.00 0.00 N ATOM 536 CA SER A 36 -5.046 -1.178 -4.797 1.00 0.00 C ATOM 537 C SER A 36 -3.839 -0.473 -4.174 1.00 0.00 C ATOM 538 O SER A 36 -3.951 0.093 -3.087 1.00 0.00 O ATOM 539 CB SER A 36 -5.618 -0.331 -5.934 1.00 0.00 C ATOM 540 OG SER A 36 -6.650 -1.024 -6.616 1.00 0.00 O ATOM 0 H SER A 36 -6.009 -0.791 -2.977 1.00 0.00 H new ATOM 0 HA SER A 36 -4.726 -2.137 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.007 0.605 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.824 -0.073 -6.635 1.00 0.00 H new ATOM 0 HG SER A 36 -7.001 -0.461 -7.337 1.00 0.00 H new ATOM 546 N TRP A 37 -2.690 -0.511 -4.860 1.00 0.00 N ATOM 547 CA TRP A 37 -1.464 0.129 -4.361 1.00 0.00 C ATOM 548 C TRP A 37 -0.796 0.950 -5.460 1.00 0.00 C ATOM 549 O TRP A 37 -0.680 0.482 -6.589 1.00 0.00 O ATOM 550 CB TRP A 37 -0.484 -0.927 -3.838 1.00 0.00 C ATOM 551 CG TRP A 37 -0.775 -1.373 -2.436 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.568 -2.421 -2.064 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.286 -0.788 -1.218 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.597 -2.531 -0.697 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.824 -1.539 -0.154 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.553 0.294 -0.919 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.551 -1.244 1.180 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.818 0.589 0.407 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.268 -0.178 1.441 1.00 0.00 C ATOM 0 H TRP A 37 -2.582 -0.977 -5.761 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.741 0.796 -3.544 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.510 -1.793 -4.499 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.528 -0.524 -3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.096 -3.069 -2.747 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.111 -3.237 -0.170 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.986 0.888 -1.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.971 -1.835 1.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.459 1.424 0.648 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.494 0.076 2.466 1.00 0.00 H new ATOM 570 N PHE A 38 -0.352 2.175 -5.127 1.00 0.00 N ATOM 571 CA PHE A 38 0.307 3.047 -6.113 1.00 0.00 C ATOM 572 C PHE A 38 1.641 3.591 -5.613 1.00 0.00 C ATOM 573 O PHE A 38 1.683 4.452 -4.734 1.00 0.00 O ATOM 574 CB PHE A 38 -0.610 4.206 -6.500 1.00 0.00 C ATOM 575 CG PHE A 38 -1.885 3.761 -7.151 1.00 0.00 C ATOM 576 CD1 PHE A 38 -2.993 3.452 -6.384 1.00 0.00 C ATOM 577 CD2 PHE A 38 -1.972 3.647 -8.528 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.168 3.036 -6.978 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.143 3.230 -9.130 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.244 2.924 -8.353 1.00 0.00 C ATOM 0 H PHE A 38 -0.436 2.579 -4.194 1.00 0.00 H new ATOM 0 HA PHE A 38 0.511 2.431 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.848 4.785 -5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.076 4.871 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.939 3.537 -5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.114 3.887 -9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.027 2.798 -6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.198 3.143 -10.205 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.162 2.598 -8.820 1.00 0.00 H new ATOM 590 N SER A 39 2.739 3.089 -6.204 1.00 0.00 N ATOM 591 CA SER A 39 4.090 3.522 -5.849 1.00 0.00 C ATOM 592 C SER A 39 4.263 5.035 -6.065 1.00 0.00 C ATOM 593 O SER A 39 3.579 5.612 -6.939 1.00 0.00 O ATOM 594 CB SER A 39 5.144 2.757 -6.661 1.00 0.00 C ATOM 595 OG SER A 39 5.200 3.218 -8.001 1.00 0.00 O ATOM 0 H SER A 39 2.710 2.378 -6.935 1.00 0.00 H new ATOM 0 HA SER A 39 4.234 3.303 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.121 2.874 -6.193 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.911 1.692 -6.650 1.00 0.00 H new ATOM 0 HG SER A 39 5.340 2.458 -8.603 1.00 0.00 H new ATOM 601 N PRO A 40 5.181 5.683 -5.260 1.00 0.00 N ATOM 602 CA PRO A 40 5.465 7.139 -5.307 1.00 0.00 C ATOM 603 C PRO A 40 5.867 7.689 -6.678 1.00 0.00 C ATOM 604 O PRO A 40 5.863 8.911 -6.864 1.00 0.00 O ATOM 605 CB PRO A 40 6.621 7.321 -4.297 1.00 0.00 C ATOM 606 CG PRO A 40 7.187 5.961 -4.119 1.00 0.00 C ATOM 607 CD PRO A 40 6.015 5.039 -4.216 1.00 0.00 C ATOM 0 HA PRO A 40 4.558 7.697 -5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.371 8.015 -4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.260 7.726 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.929 5.739 -4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.687 5.864 -3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.315 4.031 -4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.485 4.957 -3.267 1.00 0.00 H new ATOM 615 N ASN A 41 6.188 6.816 -7.637 1.00 0.00 N ATOM 616 CA ASN A 41 6.557 7.275 -8.977 1.00 0.00 C ATOM 617 C ASN A 41 5.318 7.702 -9.785 1.00 0.00 C ATOM 618 O ASN A 41 5.456 8.193 -10.909 1.00 0.00 O ATOM 619 CB ASN A 41 7.315 6.180 -9.728 1.00 0.00 C ATOM 620 CG ASN A 41 7.992 6.702 -10.983 1.00 0.00 C ATOM 621 OD1 ASN A 41 8.816 7.614 -10.919 1.00 0.00 O ATOM 622 ND2 ASN A 41 7.649 6.128 -12.136 1.00 0.00 N ATOM 0 H ASN A 41 6.200 5.804 -7.513 1.00 0.00 H new ATOM 0 HA ASN A 41 7.205 8.144 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.065 5.743 -9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.623 5.382 -9.997 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.074 6.442 -13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.962 5.375 -12.146 1.00 0.00 H new ATOM 629 N GLY A 42 4.111 7.528 -9.206 1.00 0.00 N ATOM 630 CA GLY A 42 2.890 7.906 -9.868 1.00 0.00 C ATOM 631 C GLY A 42 2.298 6.769 -10.654 1.00 0.00 C ATOM 632 O GLY A 42 1.836 6.980 -11.779 1.00 0.00 O ATOM 0 H GLY A 42 3.979 7.125 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.168 8.249 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.085 8.745 -10.536 1.00 0.00 H new ATOM 636 N GLU A 43 2.309 5.549 -10.081 1.00 0.00 N ATOM 637 CA GLU A 43 1.746 4.396 -10.813 1.00 0.00 C ATOM 638 C GLU A 43 1.475 3.196 -9.901 1.00 0.00 C ATOM 639 O GLU A 43 2.099 3.061 -8.859 1.00 0.00 O ATOM 640 CB GLU A 43 2.659 4.043 -12.028 1.00 0.00 C ATOM 641 CG GLU A 43 3.492 2.756 -11.932 1.00 0.00 C ATOM 642 CD GLU A 43 4.414 2.735 -10.731 1.00 0.00 C ATOM 643 OE1 GLU A 43 5.235 3.665 -10.596 1.00 0.00 O ATOM 644 OE2 GLU A 43 4.318 1.783 -9.929 1.00 0.00 O ATOM 0 H GLU A 43 2.683 5.340 -9.156 1.00 0.00 H new ATOM 0 HA GLU A 43 0.768 4.680 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.029 3.972 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.343 4.876 -12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.821 1.898 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.085 2.645 -12.840 1.00 0.00 H new ATOM 651 N LYS A 44 0.539 2.332 -10.321 1.00 0.00 N ATOM 652 CA LYS A 44 0.184 1.140 -9.549 1.00 0.00 C ATOM 653 C LYS A 44 1.324 0.121 -9.541 1.00 0.00 C ATOM 654 O LYS A 44 2.202 0.154 -10.404 1.00 0.00 O ATOM 655 CB LYS A 44 -1.100 0.498 -10.093 1.00 0.00 C ATOM 656 CG LYS A 44 -1.966 -0.135 -9.011 1.00 0.00 C ATOM 657 CD LYS A 44 -3.162 -0.859 -9.608 1.00 0.00 C ATOM 658 CE LYS A 44 -4.297 0.101 -9.929 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.186 -0.430 -10.999 1.00 0.00 N ATOM 0 H LYS A 44 0.017 2.439 -11.191 1.00 0.00 H new ATOM 0 HA LYS A 44 0.006 1.457 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.682 1.256 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.834 -0.263 -10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.368 -0.836 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.312 0.636 -8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.857 -1.379 -10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.514 -1.618 -8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.883 0.285 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.884 1.060 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.947 0.253 -11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.633 -0.582 -11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.600 -1.333 -10.690 1.00 0.00 H new ATOM 673 N LEU A 45 1.300 -0.784 -8.554 1.00 0.00 N ATOM 674 CA LEU A 45 2.322 -1.822 -8.414 1.00 0.00 C ATOM 675 C LEU A 45 1.731 -3.202 -8.692 1.00 0.00 C ATOM 676 O LEU A 45 0.615 -3.501 -8.259 1.00 0.00 O ATOM 677 CB LEU A 45 2.907 -1.796 -7.003 1.00 0.00 C ATOM 678 CG LEU A 45 3.822 -0.611 -6.700 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.919 -0.373 -5.200 1.00 0.00 C ATOM 680 CD2 LEU A 45 5.203 -0.842 -7.292 1.00 0.00 C ATOM 0 H LEU A 45 0.576 -0.815 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 45 3.111 -1.623 -9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.086 -1.793 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.467 -2.717 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 45 3.391 0.279 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.576 0.476 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.927 -0.162 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.324 -1.262 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.843 0.011 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.637 -1.744 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.121 -0.959 -8.373 1.00 0.00 H new ATOM 692 N SER A 46 2.491 -4.040 -9.402 1.00 0.00 N ATOM 693 CA SER A 46 2.049 -5.393 -9.724 1.00 0.00 C ATOM 694 C SER A 46 2.340 -6.340 -8.550 1.00 0.00 C ATOM 695 O SER A 46 3.226 -6.061 -7.740 1.00 0.00 O ATOM 696 CB SER A 46 2.730 -5.881 -11.012 1.00 0.00 C ATOM 697 OG SER A 46 1.830 -5.840 -12.105 1.00 0.00 O ATOM 0 H SER A 46 3.415 -3.802 -9.763 1.00 0.00 H new ATOM 0 HA SER A 46 0.972 -5.385 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.599 -5.259 -11.227 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.094 -6.899 -10.873 1.00 0.00 H new ATOM 0 HG SER A 46 2.284 -6.153 -12.915 1.00 0.00 H new ATOM 703 N PRO A 47 1.596 -7.471 -8.430 1.00 0.00 N ATOM 704 CA PRO A 47 1.795 -8.434 -7.336 1.00 0.00 C ATOM 705 C PRO A 47 3.018 -9.335 -7.536 1.00 0.00 C ATOM 706 O PRO A 47 3.576 -9.850 -6.563 1.00 0.00 O ATOM 707 CB PRO A 47 0.506 -9.255 -7.367 1.00 0.00 C ATOM 708 CG PRO A 47 0.105 -9.252 -8.799 1.00 0.00 C ATOM 709 CD PRO A 47 0.503 -7.904 -9.337 1.00 0.00 C ATOM 0 HA PRO A 47 1.986 -7.934 -6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.671 -10.269 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.264 -8.811 -6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.603 -10.053 -9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.968 -9.413 -8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.843 -7.970 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.332 -7.204 -9.320 1.00 0.00 H new ATOM 717 N ASN A 48 3.434 -9.521 -8.795 1.00 0.00 N ATOM 718 CA ASN A 48 4.590 -10.356 -9.123 1.00 0.00 C ATOM 719 C ASN A 48 5.423 -9.688 -10.218 1.00 0.00 C ATOM 720 O ASN A 48 5.339 -10.049 -11.396 1.00 0.00 O ATOM 721 CB ASN A 48 4.145 -11.767 -9.551 1.00 0.00 C ATOM 722 CG ASN A 48 3.048 -11.756 -10.609 1.00 0.00 C ATOM 723 OD1 ASN A 48 3.311 -11.535 -11.790 1.00 0.00 O ATOM 724 ND2 ASN A 48 1.809 -12.003 -10.189 1.00 0.00 N ATOM 0 H ASN A 48 2.982 -9.100 -9.606 1.00 0.00 H new ATOM 0 HA ASN A 48 5.209 -10.462 -8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.007 -12.311 -9.937 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.791 -12.310 -8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.037 -12.014 -10.856 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.632 -12.182 -9.201 1.00 0.00 H new ATOM 731 N GLN A 49 6.223 -8.695 -9.817 1.00 0.00 N ATOM 732 CA GLN A 49 7.075 -7.952 -10.755 1.00 0.00 C ATOM 733 C GLN A 49 8.535 -7.935 -10.297 1.00 0.00 C ATOM 734 O GLN A 49 9.419 -8.392 -11.025 1.00 0.00 O ATOM 735 CB GLN A 49 6.567 -6.510 -10.958 1.00 0.00 C ATOM 736 CG GLN A 49 6.062 -5.804 -9.692 1.00 0.00 C ATOM 737 CD GLN A 49 6.830 -4.529 -9.362 1.00 0.00 C ATOM 738 OE1 GLN A 49 7.456 -3.926 -10.232 1.00 0.00 O ATOM 739 NE2 GLN A 49 6.780 -4.108 -8.098 1.00 0.00 N ATOM 0 H GLN A 49 6.299 -8.386 -8.848 1.00 0.00 H new ATOM 0 HA GLN A 49 7.022 -8.474 -11.711 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.374 -5.916 -11.387 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.760 -6.527 -11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.007 -5.562 -9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.134 -6.491 -8.849 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.250 -4.636 -7.405 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.272 -3.258 -7.824 1.00 0.00 H new ATOM 748 N GLN A 50 8.783 -7.398 -9.099 1.00 0.00 N ATOM 749 CA GLN A 50 10.143 -7.311 -8.556 1.00 0.00 C ATOM 750 C GLN A 50 10.113 -7.482 -7.026 1.00 0.00 C ATOM 751 O GLN A 50 9.163 -8.053 -6.488 1.00 0.00 O ATOM 752 CB GLN A 50 10.802 -5.970 -8.960 1.00 0.00 C ATOM 753 CG GLN A 50 10.492 -5.512 -10.380 1.00 0.00 C ATOM 754 CD GLN A 50 11.332 -4.323 -10.813 1.00 0.00 C ATOM 755 OE1 GLN A 50 12.420 -4.487 -11.362 1.00 0.00 O ATOM 756 NE2 GLN A 50 10.829 -3.112 -10.571 1.00 0.00 N ATOM 0 H GLN A 50 8.061 -7.017 -8.487 1.00 0.00 H new ATOM 0 HA GLN A 50 10.746 -8.117 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.477 -5.197 -8.264 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.882 -6.064 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.661 -6.340 -11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.436 -5.250 -10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.922 -3.019 -10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.351 -2.279 -10.844 1.00 0.00 H new ATOM 765 N ARG A 51 11.154 -6.993 -6.325 1.00 0.00 N ATOM 766 CA ARG A 51 11.249 -7.099 -4.860 1.00 0.00 C ATOM 767 C ARG A 51 9.986 -6.609 -4.137 1.00 0.00 C ATOM 768 O ARG A 51 9.721 -7.030 -3.005 1.00 0.00 O ATOM 769 CB ARG A 51 12.468 -6.318 -4.357 1.00 0.00 C ATOM 770 CG ARG A 51 13.772 -6.715 -5.057 1.00 0.00 C ATOM 771 CD ARG A 51 14.358 -5.589 -5.904 1.00 0.00 C ATOM 772 NE ARG A 51 15.000 -6.103 -7.118 1.00 0.00 N ATOM 773 CZ ARG A 51 16.094 -6.880 -7.136 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.720 -7.224 -6.009 1.00 0.00 N ATOM 775 NH2 ARG A 51 16.571 -7.311 -8.296 1.00 0.00 N ATOM 0 H ARG A 51 11.946 -6.517 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 51 11.357 -8.159 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.294 -5.252 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.576 -6.478 -3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.503 -7.017 -4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.589 -7.582 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.568 -4.890 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.086 -5.031 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 51 14.584 -5.851 -8.015 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.369 -6.895 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.550 -7.816 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.107 -7.052 -9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.402 -7.902 -8.318 1.00 0.00 H new ATOM 789 N ILE A 52 9.212 -5.728 -4.786 1.00 0.00 N ATOM 790 CA ILE A 52 7.982 -5.209 -4.186 1.00 0.00 C ATOM 791 C ILE A 52 6.816 -6.178 -4.429 1.00 0.00 C ATOM 792 O ILE A 52 6.203 -6.169 -5.498 1.00 0.00 O ATOM 793 CB ILE A 52 7.618 -3.795 -4.719 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.833 -2.852 -4.597 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.413 -3.234 -3.958 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.578 -1.423 -5.046 1.00 0.00 C ATOM 0 H ILE A 52 9.416 -5.365 -5.717 1.00 0.00 H new ATOM 0 HA ILE A 52 8.162 -5.120 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 52 7.349 -3.873 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.162 -2.838 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.654 -3.262 -5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.169 -2.243 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.557 -3.896 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.653 -3.163 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.488 -0.835 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.281 -1.419 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.782 -0.988 -4.442 1.00 0.00 H new ATOM 808 N SER A 53 6.526 -7.015 -3.423 1.00 0.00 N ATOM 809 CA SER A 53 5.447 -8.000 -3.505 1.00 0.00 C ATOM 810 C SER A 53 4.195 -7.528 -2.755 1.00 0.00 C ATOM 811 O SER A 53 4.229 -7.341 -1.539 1.00 0.00 O ATOM 812 CB SER A 53 5.924 -9.335 -2.924 1.00 0.00 C ATOM 813 OG SER A 53 5.022 -10.381 -3.238 1.00 0.00 O ATOM 0 H SER A 53 7.031 -7.026 -2.537 1.00 0.00 H new ATOM 0 HA SER A 53 5.183 -8.124 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.912 -9.573 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.023 -9.249 -1.842 1.00 0.00 H new ATOM 0 HG SER A 53 5.351 -11.222 -2.857 1.00 0.00 H new ATOM 819 N VAL A 54 3.088 -7.357 -3.490 1.00 0.00 N ATOM 820 CA VAL A 54 1.811 -6.929 -2.900 1.00 0.00 C ATOM 821 C VAL A 54 0.970 -8.159 -2.557 1.00 0.00 C ATOM 822 O VAL A 54 1.224 -9.242 -3.092 1.00 0.00 O ATOM 823 CB VAL A 54 1.000 -6.017 -3.861 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.176 -5.371 -3.139 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.888 -4.946 -4.490 1.00 0.00 C ATOM 0 H VAL A 54 3.051 -7.509 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 54 2.041 -6.355 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 54 0.611 -6.649 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.727 -4.738 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.837 -6.147 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.193 -4.765 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.291 -4.324 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.320 -4.325 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.687 -5.423 -5.057 1.00 0.00 H new ATOM 835 N VAL A 55 -0.019 -8.003 -1.666 1.00 0.00 N ATOM 836 CA VAL A 55 -0.865 -9.137 -1.276 1.00 0.00 C ATOM 837 C VAL A 55 -2.218 -8.695 -0.689 1.00 0.00 C ATOM 838 O VAL A 55 -2.356 -7.587 -0.189 1.00 0.00 O ATOM 839 CB VAL A 55 -0.109 -10.049 -0.269 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.241 -9.290 1.007 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.899 -11.317 0.051 1.00 0.00 C ATOM 0 H VAL A 55 -0.249 -7.120 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.084 -9.700 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 55 0.821 -10.355 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.769 -9.954 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.878 -8.440 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.674 -8.933 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.337 -11.927 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.860 -11.046 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.065 -11.883 -0.865 1.00 0.00 H new ATOM 851 N TRP A 56 -3.201 -9.599 -0.741 1.00 0.00 N ATOM 852 CA TRP A 56 -4.542 -9.355 -0.204 1.00 0.00 C ATOM 853 C TRP A 56 -4.983 -10.597 0.564 1.00 0.00 C ATOM 854 O TRP A 56 -4.988 -11.695 0.001 1.00 0.00 O ATOM 855 CB TRP A 56 -5.517 -9.043 -1.338 1.00 0.00 C ATOM 856 CG TRP A 56 -5.114 -7.834 -2.120 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.644 -6.580 -2.028 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.082 -7.763 -3.110 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.001 -5.733 -2.891 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.041 -6.435 -3.572 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.190 -8.693 -3.651 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.142 -6.013 -4.549 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.298 -8.273 -4.621 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.280 -6.944 -5.061 1.00 0.00 C ATOM 0 H TRP A 56 -3.088 -10.523 -1.158 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.529 -8.495 0.466 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.578 -9.901 -2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.514 -8.889 -0.925 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.453 -6.297 -1.371 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.204 -4.740 -3.008 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.197 -9.720 -3.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.126 -4.988 -4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.603 -8.982 -5.046 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.571 -6.648 -5.820 1.00 0.00 H new ATOM 875 N ASN A 57 -5.303 -10.447 1.862 1.00 0.00 N ATOM 876 CA ASN A 57 -5.679 -11.613 2.698 1.00 0.00 C ATOM 877 C ASN A 57 -7.052 -11.471 3.374 1.00 0.00 C ATOM 878 O ASN A 57 -8.036 -12.033 2.889 1.00 0.00 O ATOM 879 CB ASN A 57 -4.578 -11.922 3.748 1.00 0.00 C ATOM 880 CG ASN A 57 -3.841 -10.689 4.263 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.041 -10.264 5.401 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.982 -10.109 3.424 1.00 0.00 N ATOM 0 H ASN A 57 -5.311 -9.552 2.351 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.765 -12.456 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.033 -12.439 4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.853 -12.607 3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.462 -9.282 3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.845 -10.492 2.489 1.00 0.00 H new ATOM 889 N ASP A 58 -7.115 -10.755 4.509 1.00 0.00 N ATOM 890 CA ASP A 58 -8.370 -10.580 5.267 1.00 0.00 C ATOM 891 C ASP A 58 -9.510 -10.038 4.396 1.00 0.00 C ATOM 892 O ASP A 58 -9.331 -9.844 3.193 1.00 0.00 O ATOM 893 CB ASP A 58 -8.135 -9.655 6.468 1.00 0.00 C ATOM 894 CG ASP A 58 -7.479 -10.377 7.630 1.00 0.00 C ATOM 895 OD1 ASP A 58 -6.319 -10.812 7.480 1.00 0.00 O ATOM 896 OD2 ASP A 58 -8.127 -10.507 8.690 1.00 0.00 O ATOM 0 H ASP A 58 -6.310 -10.286 4.925 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.676 -11.566 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.507 -8.818 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.087 -9.237 6.794 1.00 0.00 H new ATOM 901 N ASP A 59 -10.688 -9.806 5.026 1.00 0.00 N ATOM 902 CA ASP A 59 -11.912 -9.286 4.354 1.00 0.00 C ATOM 903 C ASP A 59 -11.601 -8.346 3.180 1.00 0.00 C ATOM 904 O ASP A 59 -11.966 -8.626 2.037 1.00 0.00 O ATOM 905 CB ASP A 59 -12.817 -8.555 5.369 1.00 0.00 C ATOM 906 CG ASP A 59 -12.056 -7.746 6.412 1.00 0.00 C ATOM 907 OD1 ASP A 59 -11.570 -8.348 7.392 1.00 0.00 O ATOM 908 OD2 ASP A 59 -11.945 -6.513 6.243 1.00 0.00 O ATOM 0 H ASP A 59 -10.820 -9.975 6.023 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.429 -10.156 3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.488 -7.889 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.440 -9.290 5.879 1.00 0.00 H new ATOM 913 N ASP A 60 -10.896 -7.259 3.481 1.00 0.00 N ATOM 914 CA ASP A 60 -10.488 -6.292 2.470 1.00 0.00 C ATOM 915 C ASP A 60 -9.130 -5.660 2.826 1.00 0.00 C ATOM 916 O ASP A 60 -8.803 -4.578 2.339 1.00 0.00 O ATOM 917 CB ASP A 60 -11.560 -5.211 2.308 1.00 0.00 C ATOM 918 CG ASP A 60 -12.703 -5.658 1.419 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.433 -6.092 0.279 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.867 -5.572 1.861 1.00 0.00 O ATOM 0 H ASP A 60 -10.594 -7.026 4.427 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.374 -6.817 1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.951 -4.941 3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.106 -4.314 1.888 1.00 0.00 H new ATOM 925 N SER A 61 -8.339 -6.348 3.674 1.00 0.00 N ATOM 926 CA SER A 61 -7.021 -5.859 4.081 1.00 0.00 C ATOM 927 C SER A 61 -5.949 -6.362 3.105 1.00 0.00 C ATOM 928 O SER A 61 -6.049 -7.483 2.580 1.00 0.00 O ATOM 929 CB SER A 61 -6.714 -6.284 5.534 1.00 0.00 C ATOM 930 OG SER A 61 -5.818 -7.388 5.609 1.00 0.00 O ATOM 0 H SER A 61 -8.597 -7.244 4.087 1.00 0.00 H new ATOM 0 HA SER A 61 -7.017 -4.769 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.287 -5.438 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.646 -6.544 6.036 1.00 0.00 H new ATOM 0 HG SER A 61 -5.756 -7.696 6.537 1.00 0.00 H new ATOM 936 N SER A 62 -4.931 -5.531 2.863 1.00 0.00 N ATOM 937 CA SER A 62 -3.850 -5.873 1.947 1.00 0.00 C ATOM 938 C SER A 62 -2.505 -5.524 2.572 1.00 0.00 C ATOM 939 O SER A 62 -2.450 -5.192 3.753 1.00 0.00 O ATOM 940 CB SER A 62 -4.059 -5.118 0.629 1.00 0.00 C ATOM 941 OG SER A 62 -5.441 -5.023 0.304 1.00 0.00 O ATOM 0 H SER A 62 -4.837 -4.611 3.294 1.00 0.00 H new ATOM 0 HA SER A 62 -3.855 -6.944 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.632 -4.118 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.528 -5.629 -0.174 1.00 0.00 H new ATOM 0 HG SER A 62 -5.556 -5.109 -0.665 1.00 0.00 H new ATOM 947 N THR A 63 -1.428 -5.601 1.786 1.00 0.00 N ATOM 948 CA THR A 63 -0.095 -5.292 2.283 1.00 0.00 C ATOM 949 C THR A 63 0.863 -4.978 1.141 1.00 0.00 C ATOM 950 O THR A 63 0.773 -5.567 0.057 1.00 0.00 O ATOM 951 CB THR A 63 0.462 -6.455 3.111 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.544 -7.014 3.939 1.00 0.00 O ATOM 953 CG2 THR A 63 1.621 -6.059 4.006 1.00 0.00 C ATOM 0 H THR A 63 -1.458 -5.875 0.804 1.00 0.00 H new ATOM 0 HA THR A 63 -0.183 -4.410 2.918 1.00 0.00 H new ATOM 0 HB THR A 63 0.819 -7.179 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.167 -7.755 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.965 -6.931 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.437 -5.673 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.295 -5.288 4.704 1.00 0.00 H new ATOM 961 N LEU A 64 1.792 -4.055 1.408 1.00 0.00 N ATOM 962 CA LEU A 64 2.802 -3.649 0.440 1.00 0.00 C ATOM 963 C LEU A 64 4.178 -3.989 0.983 1.00 0.00 C ATOM 964 O LEU A 64 4.729 -3.247 1.804 1.00 0.00 O ATOM 965 CB LEU A 64 2.704 -2.135 0.170 1.00 0.00 C ATOM 966 CG LEU A 64 3.357 -1.557 -1.125 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.363 -0.462 -0.783 1.00 0.00 C ATOM 968 CD2 LEU A 64 4.008 -2.622 -2.016 1.00 0.00 C ATOM 0 H LEU A 64 1.861 -3.571 2.303 1.00 0.00 H new ATOM 0 HA LEU A 64 2.636 -4.180 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.647 -1.871 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.147 -1.619 1.022 1.00 0.00 H new ATOM 0 HG LEU A 64 2.539 -1.131 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.805 -0.074 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.856 0.346 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.148 -0.874 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.440 -2.146 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.792 -3.133 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.255 -3.345 -2.328 1.00 0.00 H new ATOM 980 N THR A 65 4.721 -5.122 0.535 1.00 0.00 N ATOM 981 CA THR A 65 6.036 -5.577 0.979 1.00 0.00 C ATOM 982 C THR A 65 7.095 -5.173 -0.052 1.00 0.00 C ATOM 983 O THR A 65 6.861 -5.271 -1.251 1.00 0.00 O ATOM 984 CB THR A 65 6.041 -7.113 1.214 1.00 0.00 C ATOM 985 OG1 THR A 65 4.775 -7.689 0.931 1.00 0.00 O ATOM 986 CG2 THR A 65 6.387 -7.498 2.639 1.00 0.00 C ATOM 0 H THR A 65 4.268 -5.742 -0.137 1.00 0.00 H new ATOM 0 HA THR A 65 6.273 -5.101 1.930 1.00 0.00 H new ATOM 0 HB THR A 65 6.807 -7.491 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.702 -7.862 -0.031 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.373 -8.584 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.381 -7.124 2.886 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.656 -7.063 3.321 1.00 0.00 H new ATOM 994 N ILE A 66 8.251 -4.714 0.430 1.00 0.00 N ATOM 995 CA ILE A 66 9.362 -4.293 -0.428 1.00 0.00 C ATOM 996 C ILE A 66 10.659 -4.879 0.131 1.00 0.00 C ATOM 997 O ILE A 66 11.319 -4.262 0.971 1.00 0.00 O ATOM 998 CB ILE A 66 9.479 -2.742 -0.522 1.00 0.00 C ATOM 999 CG1 ILE A 66 8.129 -2.126 -0.921 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.590 -2.311 -1.497 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.992 -0.669 -0.539 1.00 0.00 C ATOM 0 H ILE A 66 8.445 -4.623 1.427 1.00 0.00 H new ATOM 0 HA ILE A 66 9.175 -4.661 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 66 9.754 -2.369 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.999 -2.224 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.327 -2.694 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.639 -1.223 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.547 -2.706 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.371 -2.698 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.015 -0.301 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.090 -0.565 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.772 -0.089 -1.031 1.00 0.00 H new ATOM 1013 N TYR A 67 10.999 -6.094 -0.319 1.00 0.00 N ATOM 1014 CA TYR A 67 12.202 -6.803 0.153 1.00 0.00 C ATOM 1015 C TYR A 67 13.485 -5.939 -0.005 1.00 0.00 C ATOM 1016 O TYR A 67 13.735 -5.075 0.835 1.00 0.00 O ATOM 1017 CB TYR A 67 12.305 -8.185 -0.539 1.00 0.00 C ATOM 1018 CG TYR A 67 11.010 -8.989 -0.511 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.229 -9.068 0.641 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.565 -9.655 -1.648 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.048 -9.787 0.656 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.386 -10.377 -1.638 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.632 -10.439 -0.485 1.00 0.00 C ATOM 1024 OH TYR A 67 7.456 -11.155 -0.473 1.00 0.00 O ATOM 0 H TYR A 67 10.457 -6.610 -1.012 1.00 0.00 H new ATOM 0 HA TYR A 67 12.109 -6.981 1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.608 -8.039 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.091 -8.765 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.552 -8.559 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.150 -9.607 -2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.455 -9.837 1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.057 -10.890 -2.529 1.00 0.00 H new ATOM 0 HH TYR A 67 7.306 -11.553 -1.356 1.00 0.00 H new ATOM 1034 N ASN A 68 14.284 -6.139 -1.066 1.00 0.00 N ATOM 1035 CA ASN A 68 15.495 -5.337 -1.274 1.00 0.00 C ATOM 1036 C ASN A 68 15.119 -3.882 -1.566 1.00 0.00 C ATOM 1037 O ASN A 68 14.715 -3.551 -2.684 1.00 0.00 O ATOM 1038 CB ASN A 68 16.349 -5.906 -2.413 1.00 0.00 C ATOM 1039 CG ASN A 68 17.833 -5.644 -2.207 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.620 -6.577 -2.050 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.228 -4.369 -2.203 1.00 0.00 N ATOM 0 H ASN A 68 14.114 -6.842 -1.785 1.00 0.00 H new ATOM 0 HA ASN A 68 16.088 -5.375 -0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.179 -6.980 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.032 -5.464 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.213 -4.141 -2.066 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.545 -3.623 -2.337 1.00 0.00 H new ATOM 1048 N ALA A 69 15.230 -3.029 -0.544 1.00 0.00 N ATOM 1049 CA ALA A 69 14.877 -1.617 -0.674 1.00 0.00 C ATOM 1050 C ALA A 69 15.996 -0.794 -1.321 1.00 0.00 C ATOM 1051 O ALA A 69 17.178 -1.096 -1.154 1.00 0.00 O ATOM 1052 CB ALA A 69 14.500 -1.046 0.694 1.00 0.00 C ATOM 0 H ALA A 69 15.562 -3.294 0.383 1.00 0.00 H new ATOM 0 HA ALA A 69 14.016 -1.551 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.238 0.007 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.647 -1.594 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.346 -1.143 1.375 1.00 0.00 H new ATOM 1058 N ASN A 70 15.599 0.261 -2.045 1.00 0.00 N ATOM 1059 CA ASN A 70 16.543 1.159 -2.707 1.00 0.00 C ATOM 1060 C ASN A 70 16.045 2.606 -2.641 1.00 0.00 C ATOM 1061 O ASN A 70 14.839 2.862 -2.523 1.00 0.00 O ATOM 1062 CB ASN A 70 16.738 0.748 -4.170 1.00 0.00 C ATOM 1063 CG ASN A 70 17.180 -0.697 -4.315 1.00 0.00 C ATOM 1064 OD1 ASN A 70 18.370 -0.980 -4.447 1.00 0.00 O ATOM 1065 ND2 ASN A 70 16.222 -1.623 -4.291 1.00 0.00 N ATOM 0 H ASN A 70 14.620 0.511 -2.185 1.00 0.00 H new ATOM 0 HA ASN A 70 17.499 1.089 -2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.804 0.895 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.480 1.399 -4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.464 -2.610 -4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.247 -1.345 -4.180 1.00 0.00 H new ATOM 1072 N ILE A 71 16.974 3.564 -2.731 1.00 0.00 N ATOM 1073 CA ILE A 71 16.621 4.993 -2.690 1.00 0.00 C ATOM 1074 C ILE A 71 15.541 5.360 -3.724 1.00 0.00 C ATOM 1075 O ILE A 71 14.807 6.333 -3.532 1.00 0.00 O ATOM 1076 CB ILE A 71 17.856 5.899 -2.895 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.639 5.488 -4.148 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.752 5.851 -1.665 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.744 6.456 -4.519 1.00 0.00 C ATOM 0 H ILE A 71 17.972 3.380 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 71 16.217 5.168 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 71 17.509 6.923 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.072 4.500 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.947 5.401 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.619 6.493 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.195 6.199 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.085 4.827 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.254 6.100 -5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.316 7.440 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.458 6.525 -3.698 1.00 0.00 H new ATOM 1091 N ASP A 72 15.435 4.568 -4.801 1.00 0.00 N ATOM 1092 CA ASP A 72 14.429 4.803 -5.836 1.00 0.00 C ATOM 1093 C ASP A 72 13.036 4.452 -5.306 1.00 0.00 C ATOM 1094 O ASP A 72 12.072 5.181 -5.546 1.00 0.00 O ATOM 1095 CB ASP A 72 14.734 3.979 -7.091 1.00 0.00 C ATOM 1096 CG ASP A 72 16.133 4.222 -7.625 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.408 5.353 -8.080 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.953 3.280 -7.592 1.00 0.00 O ATOM 0 H ASP A 72 16.035 3.761 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 72 14.455 5.859 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.615 2.920 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.007 4.222 -7.866 1.00 0.00 H new ATOM 1103 N ASP A 73 12.943 3.328 -4.579 1.00 0.00 N ATOM 1104 CA ASP A 73 11.678 2.872 -4.002 1.00 0.00 C ATOM 1105 C ASP A 73 11.173 3.849 -2.941 1.00 0.00 C ATOM 1106 O ASP A 73 9.964 4.052 -2.809 1.00 0.00 O ATOM 1107 CB ASP A 73 11.836 1.471 -3.399 1.00 0.00 C ATOM 1108 CG ASP A 73 12.071 0.407 -4.454 1.00 0.00 C ATOM 1109 OD1 ASP A 73 11.369 0.430 -5.487 1.00 0.00 O ATOM 1110 OD2 ASP A 73 12.958 -0.448 -4.247 1.00 0.00 O ATOM 0 H ASP A 73 13.736 2.718 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 73 10.941 2.829 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.670 1.473 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.941 1.221 -2.829 1.00 0.00 H new ATOM 1115 N ALA A 74 12.103 4.463 -2.183 1.00 0.00 N ATOM 1116 CA ALA A 74 11.734 5.436 -1.130 1.00 0.00 C ATOM 1117 C ALA A 74 10.769 6.519 -1.644 1.00 0.00 C ATOM 1118 O ALA A 74 11.048 7.180 -2.648 1.00 0.00 O ATOM 1119 CB ALA A 74 12.987 6.091 -0.552 1.00 0.00 C ATOM 0 H ALA A 74 13.106 4.306 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 74 11.216 4.879 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.701 6.804 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.631 5.325 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.524 6.611 -1.345 1.00 0.00 H new ATOM 1125 N GLY A 75 9.643 6.685 -0.941 1.00 0.00 N ATOM 1126 CA GLY A 75 8.652 7.678 -1.322 1.00 0.00 C ATOM 1127 C GLY A 75 7.301 7.401 -0.689 1.00 0.00 C ATOM 1128 O GLY A 75 7.164 6.448 0.084 1.00 0.00 O ATOM 0 H GLY A 75 9.403 6.144 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.997 8.668 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.549 7.690 -2.407 1.00 0.00 H new ATOM 1132 N ILE A 76 6.302 8.229 -1.013 1.00 0.00 N ATOM 1133 CA ILE A 76 4.956 8.059 -0.470 1.00 0.00 C ATOM 1134 C ILE A 76 4.163 7.058 -1.326 1.00 0.00 C ATOM 1135 O ILE A 76 3.757 7.372 -2.449 1.00 0.00 O ATOM 1136 CB ILE A 76 4.221 9.461 -0.322 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.175 9.884 1.158 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.797 9.500 -0.909 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.374 10.686 1.597 1.00 0.00 C ATOM 0 H ILE A 76 6.403 9.021 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 76 5.025 7.642 0.535 1.00 0.00 H new ATOM 0 HB ILE A 76 4.814 10.162 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.273 10.471 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.098 8.992 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.371 10.493 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.836 9.274 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.175 8.761 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.271 10.948 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.279 10.094 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.440 11.597 1.002 1.00 0.00 H new ATOM 1151 N TYR A 77 3.927 5.866 -0.772 1.00 0.00 N ATOM 1152 CA TYR A 77 3.150 4.843 -1.463 1.00 0.00 C ATOM 1153 C TYR A 77 1.666 5.120 -1.225 1.00 0.00 C ATOM 1154 O TYR A 77 1.323 5.929 -0.356 1.00 0.00 O ATOM 1155 CB TYR A 77 3.532 3.446 -0.961 1.00 0.00 C ATOM 1156 CG TYR A 77 4.912 2.997 -1.383 1.00 0.00 C ATOM 1157 CD1 TYR A 77 6.040 3.510 -0.762 1.00 0.00 C ATOM 1158 CD2 TYR A 77 5.088 2.051 -2.387 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.311 3.099 -1.128 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.352 1.632 -2.759 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.460 2.157 -2.128 1.00 0.00 C ATOM 1162 OH TYR A 77 8.720 1.745 -2.505 1.00 0.00 O ATOM 0 H TYR A 77 4.263 5.589 0.150 1.00 0.00 H new ATOM 0 HA TYR A 77 3.361 4.875 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.474 3.434 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.799 2.727 -1.327 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.926 4.244 0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.223 1.637 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.179 3.512 -0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.471 0.896 -3.541 1.00 0.00 H new ATOM 0 HH TYR A 77 9.162 2.461 -3.008 1.00 0.00 H new ATOM 1172 N LYS A 78 0.781 4.476 -1.993 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.664 4.702 -1.840 1.00 0.00 C ATOM 1174 C LYS A 78 -1.437 3.401 -1.660 1.00 0.00 C ATOM 1175 O LYS A 78 -0.986 2.334 -2.064 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.224 5.473 -3.044 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.253 6.529 -2.663 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.792 7.260 -3.882 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.720 8.103 -4.554 1.00 0.00 C ATOM 1180 NZ LYS A 78 -2.305 9.236 -5.323 1.00 0.00 N ATOM 0 H LYS A 78 1.032 3.803 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.794 5.296 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.401 5.953 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.680 4.767 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.077 6.057 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.800 7.247 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.186 6.536 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.624 7.899 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.037 8.491 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.131 7.476 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.541 9.786 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.937 8.865 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.846 9.849 -4.680 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.630 3.532 -1.081 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.531 2.409 -0.853 1.00 0.00 C ATOM 1196 C CYS A 79 -4.949 2.861 -1.177 1.00 0.00 C ATOM 1197 O CYS A 79 -5.618 3.469 -0.336 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.444 1.919 0.598 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.294 0.332 0.901 1.00 0.00 S ATOM 0 H CYS A 79 -2.998 4.426 -0.756 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.246 1.576 -1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.394 1.815 0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.871 2.678 1.253 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.381 2.611 -2.419 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.705 3.043 -2.878 1.00 0.00 C ATOM 1206 C VAL A 80 -7.728 1.912 -2.861 1.00 0.00 C ATOM 1207 O VAL A 80 -7.479 0.819 -3.370 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.659 3.657 -4.302 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -7.965 4.393 -4.609 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.465 4.596 -4.460 1.00 0.00 C ATOM 0 H VAL A 80 -4.834 2.113 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.018 3.809 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.541 2.842 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.916 4.818 -5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.799 3.694 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.111 5.193 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.459 5.011 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.541 5.406 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.542 4.042 -4.290 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.903 2.212 -2.294 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.010 1.267 -2.221 1.00 0.00 C ATOM 1222 C VAL A 81 -11.137 1.767 -3.131 1.00 0.00 C ATOM 1223 O VAL A 81 -11.232 2.971 -3.380 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.485 1.099 -0.738 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.931 0.609 -0.606 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.535 0.173 0.012 1.00 0.00 C ATOM 0 H VAL A 81 -9.107 3.119 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.693 0.282 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.464 2.093 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.189 0.517 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.602 1.324 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.032 -0.362 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.873 0.062 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.521 -0.803 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.531 0.597 0.003 1.00 0.00 H new ATOM 1236 N THR A 82 -11.982 0.852 -3.638 1.00 0.00 N ATOM 1237 CA THR A 82 -13.080 1.259 -4.534 1.00 0.00 C ATOM 1238 C THR A 82 -14.404 0.551 -4.240 1.00 0.00 C ATOM 1239 O THR A 82 -14.552 -0.638 -4.500 1.00 0.00 O ATOM 1240 CB THR A 82 -12.693 1.021 -5.989 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.355 1.423 -6.229 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.583 1.768 -6.952 1.00 0.00 C ATOM 0 H THR A 82 -11.930 -0.149 -3.450 1.00 0.00 H new ATOM 0 HA THR A 82 -13.238 2.322 -4.350 1.00 0.00 H new ATOM 0 HB THR A 82 -12.808 -0.050 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.128 1.260 -7.168 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.265 1.564 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.615 1.442 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.513 2.838 -6.757 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.382 1.312 -3.735 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.717 0.775 -3.434 1.00 0.00 C ATOM 1252 C ALA A 83 -17.411 0.267 -4.704 1.00 0.00 C ATOM 1253 O ALA A 83 -16.814 0.265 -5.783 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.570 1.835 -2.745 1.00 0.00 C ATOM 0 H ALA A 83 -15.275 2.304 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.597 -0.072 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.556 1.424 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.091 2.139 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.674 2.700 -3.400 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.666 -0.173 -4.564 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.436 -0.698 -5.696 1.00 0.00 C ATOM 1262 C GLU A 84 -19.879 0.418 -6.646 1.00 0.00 C ATOM 1263 O GLU A 84 -19.697 0.310 -7.861 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.662 -1.470 -5.195 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.395 -2.235 -6.288 1.00 0.00 C ATOM 1266 CD GLU A 84 -20.727 -3.552 -6.632 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -20.904 -4.525 -5.868 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -20.027 -3.611 -7.664 1.00 0.00 O ATOM 0 H GLU A 84 -19.170 -0.176 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.783 -1.373 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.347 -2.171 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.354 -0.770 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.419 -2.425 -5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.451 -1.616 -7.184 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.480 1.476 -6.090 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.974 2.603 -6.892 1.00 0.00 C ATOM 1277 C ASP A 85 -19.846 3.327 -7.636 1.00 0.00 C ATOM 1278 O ASP A 85 -20.068 3.866 -8.724 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.752 3.595 -6.012 1.00 0.00 C ATOM 1280 CG ASP A 85 -20.912 4.215 -4.904 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -19.925 3.584 -4.472 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -21.248 5.336 -4.468 1.00 0.00 O ATOM 0 H ASP A 85 -20.637 1.576 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.646 2.187 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.152 4.390 -6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.604 3.082 -5.567 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.644 3.342 -7.044 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.499 4.010 -7.663 1.00 0.00 C ATOM 1289 C GLY A 86 -16.705 4.879 -6.694 1.00 0.00 C ATOM 1290 O GLY A 86 -15.547 5.202 -6.966 1.00 0.00 O ATOM 0 H GLY A 86 -18.443 2.903 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.836 3.257 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.852 4.629 -8.488 1.00 0.00 H new ATOM 1294 N THR A 87 -17.317 5.257 -5.558 1.00 0.00 N ATOM 1295 CA THR A 87 -16.644 6.090 -4.549 1.00 0.00 C ATOM 1296 C THR A 87 -15.413 5.370 -3.994 1.00 0.00 C ATOM 1297 O THR A 87 -15.548 4.342 -3.346 1.00 0.00 O ATOM 1298 CB THR A 87 -17.615 6.435 -3.408 1.00 0.00 C ATOM 1299 OG1 THR A 87 -18.768 7.082 -3.913 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.019 7.331 -2.340 1.00 0.00 C ATOM 0 H THR A 87 -18.274 4.999 -5.317 1.00 0.00 H new ATOM 0 HA THR A 87 -16.320 7.015 -5.026 1.00 0.00 H new ATOM 0 HB THR A 87 -17.859 5.477 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.481 6.423 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.766 7.528 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.157 6.838 -1.890 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.704 8.273 -2.789 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.224 5.914 -4.266 1.00 0.00 N ATOM 1309 CA GLN A 88 -12.971 5.308 -3.804 1.00 0.00 C ATOM 1310 C GLN A 88 -12.418 6.012 -2.560 1.00 0.00 C ATOM 1311 O GLN A 88 -12.385 7.243 -2.499 1.00 0.00 O ATOM 1312 CB GLN A 88 -11.921 5.374 -4.913 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.328 4.655 -6.189 1.00 0.00 C ATOM 1314 CD GLN A 88 -11.712 5.262 -7.438 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -12.425 5.676 -8.353 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.382 5.316 -7.489 1.00 0.00 N ATOM 0 H GLN A 88 -14.102 6.772 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.190 4.272 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.717 6.419 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.990 4.942 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.034 3.608 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -13.414 4.676 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.827 4.962 -6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.919 5.711 -8.307 1.00 0.00 H new ATOM 1325 N SER A 89 -11.947 5.219 -1.586 1.00 0.00 N ATOM 1326 CA SER A 89 -11.347 5.754 -0.352 1.00 0.00 C ATOM 1327 C SER A 89 -9.884 5.324 -0.289 1.00 0.00 C ATOM 1328 O SER A 89 -9.599 4.152 -0.072 1.00 0.00 O ATOM 1329 CB SER A 89 -12.095 5.243 0.882 1.00 0.00 C ATOM 1330 OG SER A 89 -11.561 5.801 2.070 1.00 0.00 O ATOM 0 H SER A 89 -11.970 4.200 -1.629 1.00 0.00 H new ATOM 0 HA SER A 89 -11.417 6.842 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.152 5.496 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.030 4.156 0.926 1.00 0.00 H new ATOM 0 HG SER A 89 -12.057 5.460 2.843 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.958 6.261 -0.529 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.523 5.938 -0.552 1.00 0.00 C ATOM 1338 C GLU A 90 -6.765 6.363 0.717 1.00 0.00 C ATOM 1339 O GLU A 90 -7.340 6.920 1.652 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.875 6.575 -1.793 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.818 8.098 -1.754 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.848 8.729 -3.134 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -7.700 8.324 -3.953 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -6.021 9.628 -3.395 1.00 0.00 O ATOM 0 H GLU A 90 -9.173 7.242 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.450 4.851 -0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.862 6.187 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.430 6.266 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.659 8.473 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.909 8.409 -1.238 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.451 6.088 0.709 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.560 6.425 1.818 1.00 0.00 C ATOM 1353 C ALA A 91 -3.116 6.553 1.316 1.00 0.00 C ATOM 1354 O ALA A 91 -2.862 6.398 0.119 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.653 5.371 2.913 1.00 0.00 C ATOM 0 H ALA A 91 -4.981 5.625 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.869 7.383 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.984 5.636 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.677 5.321 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.365 4.400 2.509 1.00 0.00 H new ATOM 1361 N THR A 92 -2.176 6.832 2.227 1.00 0.00 N ATOM 1362 CA THR A 92 -0.762 6.975 1.856 1.00 0.00 C ATOM 1363 C THR A 92 0.161 6.611 3.019 1.00 0.00 C ATOM 1364 O THR A 92 -0.258 6.609 4.178 1.00 0.00 O ATOM 1365 CB THR A 92 -0.468 8.408 1.379 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.293 9.343 2.053 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.684 8.595 -0.107 1.00 0.00 C ATOM 0 H THR A 92 -2.366 6.963 3.221 1.00 0.00 H new ATOM 0 HA THR A 92 -0.567 6.282 1.038 1.00 0.00 H new ATOM 0 HB THR A 92 0.585 8.578 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.089 10.248 1.736 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.460 9.626 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.026 7.923 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.722 8.371 -0.355 1.00 0.00 H new ATOM 1375 N VAL A 93 1.426 6.316 2.692 1.00 0.00 N ATOM 1376 CA VAL A 93 2.429 5.963 3.696 1.00 0.00 C ATOM 1377 C VAL A 93 3.794 6.562 3.328 1.00 0.00 C ATOM 1378 O VAL A 93 4.341 6.273 2.260 1.00 0.00 O ATOM 1379 CB VAL A 93 2.538 4.421 3.876 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.907 3.732 2.564 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.524 4.051 4.994 1.00 0.00 C ATOM 0 H VAL A 93 1.777 6.316 1.734 1.00 0.00 H new ATOM 0 HA VAL A 93 2.108 6.385 4.648 1.00 0.00 H new ATOM 0 HB VAL A 93 1.554 4.060 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.975 2.656 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.142 3.940 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.868 4.108 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.574 2.966 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.513 4.440 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.186 4.484 5.935 1.00 0.00 H new ATOM 1391 N ASN A 94 4.325 7.401 4.223 1.00 0.00 N ATOM 1392 CA ASN A 94 5.619 8.052 4.011 1.00 0.00 C ATOM 1393 C ASN A 94 6.767 7.059 4.220 1.00 0.00 C ATOM 1394 O ASN A 94 7.260 6.899 5.339 1.00 0.00 O ATOM 1395 CB ASN A 94 5.759 9.256 4.961 1.00 0.00 C ATOM 1396 CG ASN A 94 7.050 10.040 4.763 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.166 10.840 3.834 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.029 9.812 5.640 1.00 0.00 N ATOM 0 H ASN A 94 3.875 7.645 5.105 1.00 0.00 H new ATOM 0 HA ASN A 94 5.669 8.408 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.911 9.925 4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.712 8.903 5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.916 10.309 5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.891 9.140 6.395 1.00 0.00 H new ATOM 1405 N VAL A 95 7.191 6.400 3.132 1.00 0.00 N ATOM 1406 CA VAL A 95 8.286 5.425 3.192 1.00 0.00 C ATOM 1407 C VAL A 95 9.610 6.091 2.821 1.00 0.00 C ATOM 1408 O VAL A 95 9.650 6.951 1.937 1.00 0.00 O ATOM 1409 CB VAL A 95 8.050 4.208 2.261 1.00 0.00 C ATOM 1410 CG1 VAL A 95 9.026 3.091 2.592 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.614 3.696 2.368 1.00 0.00 C ATOM 0 H VAL A 95 6.792 6.525 2.202 1.00 0.00 H new ATOM 0 HA VAL A 95 8.323 5.059 4.218 1.00 0.00 H new ATOM 0 HB VAL A 95 8.218 4.537 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.848 2.244 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.047 3.448 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.884 2.779 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.481 2.843 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.412 3.391 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.923 4.489 2.083 1.00 0.00 H new ATOM 1421 N LYS A 96 10.690 5.694 3.505 1.00 0.00 N ATOM 1422 CA LYS A 96 12.019 6.259 3.260 1.00 0.00 C ATOM 1423 C LYS A 96 13.071 5.164 3.114 1.00 0.00 C ATOM 1424 O LYS A 96 12.911 4.056 3.636 1.00 0.00 O ATOM 1425 CB LYS A 96 12.408 7.216 4.410 1.00 0.00 C ATOM 1426 CG LYS A 96 12.832 8.626 3.972 1.00 0.00 C ATOM 1427 CD LYS A 96 11.855 9.301 3.003 1.00 0.00 C ATOM 1428 CE LYS A 96 10.448 9.397 3.574 1.00 0.00 C ATOM 1429 NZ LYS A 96 9.428 9.667 2.519 1.00 0.00 N ATOM 0 H LYS A 96 10.667 4.981 4.234 1.00 0.00 H new ATOM 0 HA LYS A 96 11.980 6.815 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.561 7.304 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.225 6.767 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.940 9.253 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.813 8.569 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.217 10.301 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.828 8.740 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.201 8.467 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.414 10.190 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.664 10.250 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.873 10.172 1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.035 8.767 2.178 1.00 0.00 H new ATOM 1443 N ILE A 97 14.164 5.505 2.425 1.00 0.00 N ATOM 1444 CA ILE A 97 15.277 4.584 2.226 1.00 0.00 C ATOM 1445 C ILE A 97 16.597 5.350 2.229 1.00 0.00 C ATOM 1446 O ILE A 97 16.729 6.384 1.574 1.00 0.00 O ATOM 1447 CB ILE A 97 15.147 3.731 0.939 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.735 3.103 0.872 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.242 2.657 0.922 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.523 2.093 -0.236 1.00 0.00 C ATOM 0 H ILE A 97 14.298 6.420 1.995 1.00 0.00 H new ATOM 0 HA ILE A 97 15.256 3.882 3.060 1.00 0.00 H new ATOM 0 HB ILE A 97 15.277 4.361 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.526 2.619 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 97 13.005 3.904 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.150 2.058 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.221 3.135 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 97 16.134 2.014 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.502 1.715 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.693 2.570 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.222 1.266 -0.113 1.00 0.00 H new ATOM 1462 N PHE A 98 17.564 4.835 2.993 1.00 0.00 N ATOM 1463 CA PHE A 98 18.883 5.463 3.121 1.00 0.00 C ATOM 1464 C PHE A 98 19.985 4.411 2.990 1.00 0.00 C ATOM 1465 O PHE A 98 19.919 3.348 3.614 1.00 0.00 O ATOM 1466 CB PHE A 98 19.012 6.227 4.468 1.00 0.00 C ATOM 1467 CG PHE A 98 18.085 5.743 5.561 1.00 0.00 C ATOM 1468 CD1 PHE A 98 18.446 4.682 6.375 1.00 0.00 C ATOM 1469 CD2 PHE A 98 16.844 6.337 5.751 1.00 0.00 C ATOM 1470 CE1 PHE A 98 17.591 4.226 7.359 1.00 0.00 C ATOM 1471 CE2 PHE A 98 15.985 5.881 6.729 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.358 4.826 7.533 1.00 0.00 C ATOM 0 H PHE A 98 17.457 3.978 3.536 1.00 0.00 H new ATOM 0 HA PHE A 98 18.994 6.188 2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.040 6.144 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.820 7.285 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 98 19.406 4.206 6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 98 16.548 7.166 5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 98 17.885 3.402 7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 98 15.022 6.350 6.864 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.687 4.468 8.299 1.00 0.00 H new ATOM 1482 N GLN A 99 20.991 4.714 2.159 1.00 0.00 N ATOM 1483 CA GLN A 99 22.111 3.798 1.923 1.00 0.00 C ATOM 1484 C GLN A 99 23.306 4.138 2.824 1.00 0.00 C ATOM 1485 O GLN A 99 23.343 5.267 3.356 1.00 0.00 O ATOM 1486 CB GLN A 99 22.499 3.800 0.420 1.00 0.00 C ATOM 1487 CG GLN A 99 23.443 4.918 -0.042 1.00 0.00 C ATOM 1488 CD GLN A 99 22.968 6.309 0.344 1.00 0.00 C ATOM 1489 OE1 GLN A 99 23.555 6.956 1.210 1.00 0.00 O ATOM 1490 NE2 GLN A 99 21.898 6.778 -0.297 1.00 0.00 N ATOM 1491 OXT GLN A 99 24.187 3.269 2.989 1.00 0.00 O ATOM 0 H GLN A 99 21.051 5.589 1.638 1.00 0.00 H new ATOM 0 HA GLN A 99 21.796 2.788 2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 99 22.964 2.842 0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.584 3.861 -0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 99 24.431 4.748 0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.551 4.867 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.440 6.209 -1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 99 21.537 7.706 -0.076 1.00 0.00 H new TER 1500 GLN A 99