USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.12) USER MOD Set 2.1: A 28 THR OG1 : rot -137:sc= -0.0526! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 0 MET CE :methyl 157:sc= 0 (180deg=-0.00409) USER MOD Single : A 0 MET N :NH3+ 162:sc= -0.118 (180deg=-0.393) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 8 GLN : amide:sc= -1.63 K(o=-1.6,f=-3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -11:sc= -0.208 USER MOD Single : A 42 ASN : amide:sc= -1.93 K(o=-1.9,f=-7.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 49 GLN : amide:sc=-0.00623 X(o=-0.0062,f=-0.19) USER MOD Single : A 51 MET CE :methyl 156:sc= -1.94 (180deg=-3.61!) USER MOD Single : A 53 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.36) USER MOD Single : A 60 ASN : amide:sc= -6.33! C(o=-6.3!,f=-11!) USER MOD Single : A 62 THR OG1 : rot -68:sc= 0.199 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 153:sc= -0.843 (180deg=-1.22) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -30.247 -20.994 -0.283 1.00 0.00 N ATOM 2 CA MET A 0 -30.404 -21.993 -1.327 1.00 0.00 C ATOM 3 C MET A 0 -29.678 -21.570 -2.605 1.00 0.00 C ATOM 4 O MET A 0 -30.074 -21.954 -3.704 1.00 0.00 O ATOM 5 CB MET A 0 -31.892 -22.190 -1.626 1.00 0.00 C ATOM 6 CG MET A 0 -32.566 -23.023 -0.534 1.00 0.00 C ATOM 7 SD MET A 0 -34.244 -22.468 -0.290 1.00 0.00 S ATOM 8 CE MET A 0 -33.953 -21.047 0.751 1.00 0.00 C ATOM 0 H1 MET A 0 -30.973 -21.138 0.447 1.00 0.00 H new ATOM 0 H2 MET A 0 -29.303 -21.084 0.145 1.00 0.00 H new ATOM 0 H3 MET A 0 -30.352 -20.044 -0.693 1.00 0.00 H new ATOM 0 HA MET A 0 -29.968 -22.928 -0.977 1.00 0.00 H new ATOM 0 HB2 MET A 0 -32.383 -21.220 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 0 -32.010 -22.684 -2.590 1.00 0.00 H new ATOM 0 HG2 MET A 0 -32.560 -24.077 -0.813 1.00 0.00 H new ATOM 0 HG3 MET A 0 -32.007 -22.937 0.398 1.00 0.00 H new ATOM 0 HE1 MET A 0 -34.795 -20.359 0.671 1.00 0.00 H new ATOM 0 HE2 MET A 0 -33.846 -21.370 1.786 1.00 0.00 H new ATOM 0 HE3 MET A 0 -33.041 -20.543 0.432 1.00 0.00 H new ATOM 18 N ALA A 1 -28.627 -20.785 -2.418 1.00 0.00 N ATOM 19 CA ALA A 1 -27.841 -20.306 -3.542 1.00 0.00 C ATOM 20 C ALA A 1 -26.369 -20.229 -3.134 1.00 0.00 C ATOM 21 O ALA A 1 -25.957 -20.857 -2.160 1.00 0.00 O ATOM 22 CB ALA A 1 -28.388 -18.956 -4.009 1.00 0.00 C ATOM 0 H ALA A 1 -28.302 -20.469 -1.505 1.00 0.00 H new ATOM 0 HA ALA A 1 -27.914 -20.996 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.798 -18.597 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -29.428 -19.071 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.328 -18.237 -3.192 1.00 0.00 H new ATOM 28 N ASP A 2 -25.615 -19.455 -3.901 1.00 0.00 N ATOM 29 CA ASP A 2 -24.197 -19.288 -3.631 1.00 0.00 C ATOM 30 C ASP A 2 -23.888 -17.800 -3.454 1.00 0.00 C ATOM 31 O ASP A 2 -24.707 -16.947 -3.794 1.00 0.00 O ATOM 32 CB ASP A 2 -23.350 -19.812 -4.793 1.00 0.00 C ATOM 33 CG ASP A 2 -23.724 -19.256 -6.168 1.00 0.00 C ATOM 34 OD1 ASP A 2 -24.747 -18.540 -6.232 1.00 0.00 O ATOM 35 OD2 ASP A 2 -22.980 -19.560 -7.125 1.00 0.00 O ATOM 0 H ASP A 2 -25.959 -18.937 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 2 -23.957 -19.849 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -22.304 -19.577 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -23.433 -20.898 -4.822 1.00 0.00 H new ATOM 40 N GLN A 3 -22.703 -17.533 -2.923 1.00 0.00 N ATOM 41 CA GLN A 3 -22.276 -16.163 -2.697 1.00 0.00 C ATOM 42 C GLN A 3 -21.088 -16.130 -1.734 1.00 0.00 C ATOM 43 O GLN A 3 -21.126 -16.752 -0.674 1.00 0.00 O ATOM 44 CB GLN A 3 -23.431 -15.308 -2.173 1.00 0.00 C ATOM 45 CG GLN A 3 -23.887 -14.297 -3.227 1.00 0.00 C ATOM 46 CD GLN A 3 -24.367 -13.000 -2.571 1.00 0.00 C ATOM 47 OE1 GLN A 3 -25.436 -12.928 -1.988 1.00 0.00 O ATOM 48 NE2 GLN A 3 -23.520 -11.983 -2.699 1.00 0.00 N ATOM 0 H GLN A 3 -22.026 -18.243 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 3 -21.958 -15.740 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -24.266 -15.950 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -23.119 -14.782 -1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -23.065 -14.081 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -24.692 -14.726 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -22.641 -12.111 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -23.749 -11.074 -2.296 1.00 0.00 H new ATOM 57 N LEU A 4 -20.060 -15.398 -2.138 1.00 0.00 N ATOM 58 CA LEU A 4 -18.862 -15.275 -1.324 1.00 0.00 C ATOM 59 C LEU A 4 -19.113 -14.263 -0.204 1.00 0.00 C ATOM 60 O LEU A 4 -20.183 -13.659 -0.137 1.00 0.00 O ATOM 61 CB LEU A 4 -17.652 -14.939 -2.198 1.00 0.00 C ATOM 62 CG LEU A 4 -17.863 -13.838 -3.240 1.00 0.00 C ATOM 63 CD1 LEU A 4 -16.684 -12.863 -3.252 1.00 0.00 C ATOM 64 CD2 LEU A 4 -18.127 -14.436 -4.623 1.00 0.00 C ATOM 0 H LEU A 4 -20.032 -14.884 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 4 -18.626 -16.226 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.829 -14.643 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -17.339 -15.846 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.749 -13.268 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.858 -12.090 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.584 -12.401 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.768 -13.402 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.274 -13.633 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.274 -15.044 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -19.021 -15.058 -4.586 1.00 0.00 H new ATOM 76 N THR A 5 -18.109 -14.108 0.646 1.00 0.00 N ATOM 77 CA THR A 5 -18.207 -13.179 1.759 1.00 0.00 C ATOM 78 C THR A 5 -16.815 -12.719 2.194 1.00 0.00 C ATOM 79 O THR A 5 -15.843 -12.893 1.461 1.00 0.00 O ATOM 80 CB THR A 5 -18.998 -13.862 2.877 1.00 0.00 C ATOM 81 OG1 THR A 5 -17.996 -14.441 3.708 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.804 -15.062 2.375 1.00 0.00 C ATOM 0 H THR A 5 -17.223 -14.610 0.586 1.00 0.00 H new ATOM 0 HA THR A 5 -18.739 -12.272 1.471 1.00 0.00 H new ATOM 0 HB THR A 5 -19.671 -13.139 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.422 -14.903 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.346 -15.510 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.513 -14.732 1.616 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.128 -15.800 1.944 1.00 0.00 H new ATOM 90 N GLU A 6 -16.763 -12.141 3.385 1.00 0.00 N ATOM 91 CA GLU A 6 -15.505 -11.654 3.926 1.00 0.00 C ATOM 92 C GLU A 6 -14.390 -12.670 3.672 1.00 0.00 C ATOM 93 O GLU A 6 -13.233 -12.294 3.486 1.00 0.00 O ATOM 94 CB GLU A 6 -15.635 -11.344 5.419 1.00 0.00 C ATOM 95 CG GLU A 6 -16.609 -10.188 5.656 1.00 0.00 C ATOM 96 CD GLU A 6 -16.592 -9.748 7.122 1.00 0.00 C ATOM 97 OE1 GLU A 6 -16.633 -10.651 7.985 1.00 0.00 O ATOM 98 OE2 GLU A 6 -16.539 -8.520 7.345 1.00 0.00 O ATOM 0 H GLU A 6 -17.571 -11.999 3.991 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.247 -10.726 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.982 -12.231 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.657 -11.090 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.342 -9.346 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.617 -10.494 5.376 1.00 0.00 H new ATOM 105 N GLU A 7 -14.775 -13.937 3.673 1.00 0.00 N ATOM 106 CA GLU A 7 -13.822 -15.010 3.445 1.00 0.00 C ATOM 107 C GLU A 7 -12.837 -14.619 2.342 1.00 0.00 C ATOM 108 O GLU A 7 -11.642 -14.890 2.447 1.00 0.00 O ATOM 109 CB GLU A 7 -14.539 -16.317 3.101 1.00 0.00 C ATOM 110 CG GLU A 7 -15.281 -16.872 4.319 1.00 0.00 C ATOM 111 CD GLU A 7 -14.826 -18.299 4.634 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.000 -19.160 3.745 1.00 0.00 O ATOM 113 OE2 GLU A 7 -14.313 -18.495 5.758 1.00 0.00 O ATOM 0 H GLU A 7 -15.735 -14.245 3.828 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.261 -15.173 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.244 -16.146 2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.815 -17.051 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.102 -16.230 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.355 -16.862 4.131 1.00 0.00 H new ATOM 120 N GLN A 8 -13.375 -13.987 1.309 1.00 0.00 N ATOM 121 CA GLN A 8 -12.557 -13.555 0.187 1.00 0.00 C ATOM 122 C GLN A 8 -11.518 -12.533 0.650 1.00 0.00 C ATOM 123 O GLN A 8 -10.355 -12.602 0.254 1.00 0.00 O ATOM 124 CB GLN A 8 -13.425 -12.984 -0.936 1.00 0.00 C ATOM 125 CG GLN A 8 -13.206 -13.750 -2.242 1.00 0.00 C ATOM 126 CD GLN A 8 -11.714 -13.905 -2.543 1.00 0.00 C ATOM 127 OE1 GLN A 8 -10.915 -13.008 -2.330 1.00 0.00 O ATOM 128 NE2 GLN A 8 -11.384 -15.090 -3.049 1.00 0.00 N ATOM 0 H GLN A 8 -14.367 -13.764 1.225 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.032 -14.424 -0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.476 -13.037 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.188 -11.930 -1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.671 -14.734 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.693 -13.224 -3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.103 -15.797 -3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.412 -15.292 -3.284 1.00 0.00 H new ATOM 137 N ILE A 9 -11.973 -11.609 1.483 1.00 0.00 N ATOM 138 CA ILE A 9 -11.097 -10.574 2.005 1.00 0.00 C ATOM 139 C ILE A 9 -9.897 -11.227 2.694 1.00 0.00 C ATOM 140 O ILE A 9 -8.754 -10.843 2.454 1.00 0.00 O ATOM 141 CB ILE A 9 -11.877 -9.615 2.906 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.541 -8.159 2.578 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.644 -9.938 4.383 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.547 -7.574 1.585 1.00 0.00 C ATOM 0 H ILE A 9 -12.938 -11.555 1.810 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.705 -9.962 1.193 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.941 -9.752 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.542 -7.567 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.536 -8.099 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.210 -9.241 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.973 -10.956 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.582 -9.847 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.285 -6.538 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.526 -8.154 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.548 -7.613 2.015 1.00 0.00 H new ATOM 156 N ALA A 10 -10.200 -12.203 3.537 1.00 0.00 N ATOM 157 CA ALA A 10 -9.160 -12.913 4.264 1.00 0.00 C ATOM 158 C ALA A 10 -7.991 -13.202 3.320 1.00 0.00 C ATOM 159 O ALA A 10 -6.832 -13.159 3.731 1.00 0.00 O ATOM 160 CB ALA A 10 -9.745 -14.189 4.875 1.00 0.00 C ATOM 0 H ALA A 10 -11.150 -12.519 3.733 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.779 -12.303 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.966 -14.722 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.553 -13.928 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.134 -14.827 4.082 1.00 0.00 H new ATOM 166 N GLU A 11 -8.335 -13.489 2.073 1.00 0.00 N ATOM 167 CA GLU A 11 -7.328 -13.784 1.068 1.00 0.00 C ATOM 168 C GLU A 11 -6.550 -12.517 0.709 1.00 0.00 C ATOM 169 O GLU A 11 -5.327 -12.552 0.580 1.00 0.00 O ATOM 170 CB GLU A 11 -7.962 -14.410 -0.176 1.00 0.00 C ATOM 171 CG GLU A 11 -8.721 -15.690 0.180 1.00 0.00 C ATOM 172 CD GLU A 11 -9.428 -16.267 -1.048 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.780 -16.293 -2.116 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.601 -16.669 -0.890 1.00 0.00 O ATOM 0 H GLU A 11 -9.297 -13.523 1.736 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.629 -14.510 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.643 -13.696 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.188 -14.634 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.028 -16.427 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.453 -15.478 0.960 1.00 0.00 H new ATOM 181 N PHE A 12 -7.290 -11.429 0.557 1.00 0.00 N ATOM 182 CA PHE A 12 -6.684 -10.154 0.215 1.00 0.00 C ATOM 183 C PHE A 12 -5.711 -9.699 1.305 1.00 0.00 C ATOM 184 O PHE A 12 -4.712 -9.042 1.015 1.00 0.00 O ATOM 185 CB PHE A 12 -7.820 -9.134 0.104 1.00 0.00 C ATOM 186 CG PHE A 12 -8.555 -9.166 -1.237 1.00 0.00 C ATOM 187 CD1 PHE A 12 -8.965 -10.352 -1.761 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.800 -8.007 -1.906 1.00 0.00 C ATOM 189 CE1 PHE A 12 -9.647 -10.381 -3.006 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.482 -8.036 -3.151 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.892 -9.222 -3.675 1.00 0.00 C ATOM 0 H PHE A 12 -8.304 -11.404 0.664 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.126 -10.245 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.537 -9.316 0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.414 -8.135 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.772 -11.272 -1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.476 -7.065 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.971 -11.323 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.675 -7.116 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.412 -9.244 -4.621 1.00 0.00 H new ATOM 201 N LYS A 13 -6.037 -10.066 2.535 1.00 0.00 N ATOM 202 CA LYS A 13 -5.205 -9.705 3.670 1.00 0.00 C ATOM 203 C LYS A 13 -3.732 -9.799 3.266 1.00 0.00 C ATOM 204 O LYS A 13 -3.000 -8.812 3.338 1.00 0.00 O ATOM 205 CB LYS A 13 -5.564 -10.554 4.890 1.00 0.00 C ATOM 206 CG LYS A 13 -6.913 -10.131 5.475 1.00 0.00 C ATOM 207 CD LYS A 13 -7.022 -10.529 6.948 1.00 0.00 C ATOM 208 CE LYS A 13 -8.437 -10.290 7.478 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.548 -10.743 8.883 1.00 0.00 N ATOM 0 H LYS A 13 -6.867 -10.610 2.771 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.390 -8.672 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.600 -11.606 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.787 -10.454 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.034 -9.052 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.720 -10.595 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.759 -11.580 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.307 -9.954 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.683 -9.230 7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.158 -10.824 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.515 -10.573 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.334 -11.759 8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.873 -10.215 9.472 1.00 0.00 H new ATOM 223 N GLU A 14 -3.340 -10.995 2.852 1.00 0.00 N ATOM 224 CA GLU A 14 -1.968 -11.231 2.437 1.00 0.00 C ATOM 225 C GLU A 14 -1.535 -10.181 1.412 1.00 0.00 C ATOM 226 O GLU A 14 -0.419 -9.667 1.478 1.00 0.00 O ATOM 227 CB GLU A 14 -1.799 -12.645 1.878 1.00 0.00 C ATOM 228 CG GLU A 14 -2.129 -13.697 2.939 1.00 0.00 C ATOM 229 CD GLU A 14 -1.309 -14.970 2.722 1.00 0.00 C ATOM 230 OE1 GLU A 14 -0.186 -15.022 3.269 1.00 0.00 O ATOM 231 OE2 GLU A 14 -1.823 -15.863 2.014 1.00 0.00 O ATOM 0 H GLU A 14 -3.949 -11.811 2.795 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.325 -11.143 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.450 -12.778 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.775 -12.783 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.926 -13.294 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.192 -13.934 2.903 1.00 0.00 H new ATOM 238 N ALA A 15 -2.440 -9.893 0.488 1.00 0.00 N ATOM 239 CA ALA A 15 -2.166 -8.914 -0.549 1.00 0.00 C ATOM 240 C ALA A 15 -1.618 -7.637 0.093 1.00 0.00 C ATOM 241 O ALA A 15 -0.557 -7.150 -0.293 1.00 0.00 O ATOM 242 CB ALA A 15 -3.438 -8.659 -1.361 1.00 0.00 C ATOM 0 H ALA A 15 -3.364 -10.321 0.436 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.409 -9.288 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.232 -7.924 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.769 -9.590 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.220 -8.281 -0.703 1.00 0.00 H new ATOM 248 N PHE A 16 -2.368 -7.132 1.061 1.00 0.00 N ATOM 249 CA PHE A 16 -1.971 -5.921 1.760 1.00 0.00 C ATOM 250 C PHE A 16 -0.548 -6.045 2.306 1.00 0.00 C ATOM 251 O PHE A 16 0.208 -5.074 2.305 1.00 0.00 O ATOM 252 CB PHE A 16 -2.940 -5.743 2.931 1.00 0.00 C ATOM 253 CG PHE A 16 -2.714 -4.462 3.736 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.252 -3.287 3.311 1.00 0.00 C ATOM 255 CD2 PHE A 16 -1.974 -4.497 4.877 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.042 -2.098 4.059 1.00 0.00 C ATOM 257 CE2 PHE A 16 -1.764 -3.308 5.624 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.303 -2.134 5.199 1.00 0.00 C ATOM 0 H PHE A 16 -3.248 -7.539 1.378 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.997 -5.072 1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.961 -5.744 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.849 -6.600 3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.839 -3.258 2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.546 -5.429 5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.470 -1.165 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.176 -3.336 6.530 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.144 -1.230 5.768 1.00 0.00 H new ATOM 268 N SER A 17 -0.224 -7.247 2.759 1.00 0.00 N ATOM 269 CA SER A 17 1.096 -7.510 3.307 1.00 0.00 C ATOM 270 C SER A 17 2.171 -7.111 2.295 1.00 0.00 C ATOM 271 O SER A 17 3.088 -6.358 2.622 1.00 0.00 O ATOM 272 CB SER A 17 1.249 -8.983 3.691 1.00 0.00 C ATOM 273 OG SER A 17 2.049 -9.150 4.859 1.00 0.00 O ATOM 0 H SER A 17 -0.853 -8.050 2.758 1.00 0.00 H new ATOM 0 HA SER A 17 1.217 -6.912 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.264 -9.418 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.699 -9.529 2.862 1.00 0.00 H new ATOM 0 HG SER A 17 2.121 -10.104 5.072 1.00 0.00 H new ATOM 279 N LEU A 18 2.024 -7.634 1.086 1.00 0.00 N ATOM 280 CA LEU A 18 2.972 -7.341 0.024 1.00 0.00 C ATOM 281 C LEU A 18 3.447 -5.893 0.155 1.00 0.00 C ATOM 282 O LEU A 18 4.649 -5.628 0.159 1.00 0.00 O ATOM 283 CB LEU A 18 2.364 -7.668 -1.342 1.00 0.00 C ATOM 284 CG LEU A 18 2.988 -8.847 -2.089 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.164 -10.121 -1.891 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.184 -8.516 -3.570 1.00 0.00 C ATOM 0 H LEU A 18 1.263 -8.258 0.819 1.00 0.00 H new ATOM 0 HA LEU A 18 3.854 -7.975 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.302 -7.871 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.440 -6.782 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 18 3.975 -9.034 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.630 -10.944 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.120 -10.365 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.154 -9.964 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.629 -9.371 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.219 -8.287 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.843 -7.653 -3.666 1.00 0.00 H new ATOM 298 N PHE A 19 2.480 -4.993 0.259 1.00 0.00 N ATOM 299 CA PHE A 19 2.785 -3.579 0.390 1.00 0.00 C ATOM 300 C PHE A 19 3.250 -3.247 1.809 1.00 0.00 C ATOM 301 O PHE A 19 4.206 -2.495 1.993 1.00 0.00 O ATOM 302 CB PHE A 19 1.492 -2.814 0.097 1.00 0.00 C ATOM 303 CG PHE A 19 1.107 -2.786 -1.383 1.00 0.00 C ATOM 304 CD1 PHE A 19 0.415 -3.823 -1.926 1.00 0.00 C ATOM 305 CD2 PHE A 19 1.457 -1.723 -2.157 1.00 0.00 C ATOM 306 CE1 PHE A 19 0.058 -3.797 -3.300 1.00 0.00 C ATOM 307 CE2 PHE A 19 1.099 -1.697 -3.531 1.00 0.00 C ATOM 308 CZ PHE A 19 0.408 -2.734 -4.073 1.00 0.00 C ATOM 0 H PHE A 19 1.485 -5.216 0.255 1.00 0.00 H new ATOM 0 HA PHE A 19 3.585 -3.306 -0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.678 -3.265 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.599 -1.789 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.137 -4.667 -1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.007 -0.899 -1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.491 -4.621 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.376 -0.853 -4.145 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.137 -2.714 -5.118 1.00 0.00 H new ATOM 318 N ASP A 20 2.552 -3.824 2.776 1.00 0.00 N ATOM 319 CA ASP A 20 2.881 -3.599 4.173 1.00 0.00 C ATOM 320 C ASP A 20 3.953 -4.600 4.608 1.00 0.00 C ATOM 321 O ASP A 20 3.636 -5.715 5.020 1.00 0.00 O ATOM 322 CB ASP A 20 1.656 -3.800 5.067 1.00 0.00 C ATOM 323 CG ASP A 20 1.944 -3.794 6.570 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.057 -3.356 6.933 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.045 -4.228 7.322 1.00 0.00 O ATOM 0 H ASP A 20 1.760 -4.447 2.619 1.00 0.00 H new ATOM 0 HA ASP A 20 3.237 -2.574 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.932 -3.015 4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.186 -4.748 4.806 1.00 0.00 H new ATOM 330 N LYS A 21 5.201 -4.166 4.501 1.00 0.00 N ATOM 331 CA LYS A 21 6.321 -5.011 4.878 1.00 0.00 C ATOM 332 C LYS A 21 6.271 -5.276 6.384 1.00 0.00 C ATOM 333 O LYS A 21 6.174 -6.425 6.813 1.00 0.00 O ATOM 334 CB LYS A 21 7.639 -4.394 4.406 1.00 0.00 C ATOM 335 CG LYS A 21 8.825 -5.293 4.764 1.00 0.00 C ATOM 336 CD LYS A 21 9.934 -4.491 5.447 1.00 0.00 C ATOM 337 CE LYS A 21 10.236 -5.050 6.839 1.00 0.00 C ATOM 338 NZ LYS A 21 11.521 -4.516 7.344 1.00 0.00 N ATOM 0 H LYS A 21 5.461 -3.241 4.159 1.00 0.00 H new ATOM 0 HA LYS A 21 6.252 -5.979 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.607 -4.241 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.770 -3.414 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.492 -6.095 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.215 -5.764 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.837 -4.518 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.635 -3.446 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.431 -4.787 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.278 -6.138 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.711 -4.905 8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.288 -4.788 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.468 -3.479 7.401 1.00 0.00 H new ATOM 352 N ASP A 22 6.340 -4.194 7.146 1.00 0.00 N ATOM 353 CA ASP A 22 6.303 -4.295 8.595 1.00 0.00 C ATOM 354 C ASP A 22 5.125 -5.178 9.010 1.00 0.00 C ATOM 355 O ASP A 22 5.135 -5.764 10.092 1.00 0.00 O ATOM 356 CB ASP A 22 6.114 -2.920 9.238 1.00 0.00 C ATOM 357 CG ASP A 22 6.963 -1.800 8.633 1.00 0.00 C ATOM 358 OD1 ASP A 22 8.107 -2.108 8.236 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.448 -0.662 8.582 1.00 0.00 O ATOM 0 H ASP A 22 6.421 -3.243 6.787 1.00 0.00 H new ATOM 0 HA ASP A 22 7.249 -4.721 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.063 -2.641 9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.346 -2.998 10.300 1.00 0.00 H new ATOM 364 N GLY A 23 4.137 -5.245 8.130 1.00 0.00 N ATOM 365 CA GLY A 23 2.954 -6.047 8.392 1.00 0.00 C ATOM 366 C GLY A 23 2.215 -5.543 9.633 1.00 0.00 C ATOM 367 O GLY A 23 1.385 -6.255 10.197 1.00 0.00 O ATOM 0 H GLY A 23 4.131 -4.757 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.289 -6.013 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.240 -7.089 8.533 1.00 0.00 H new ATOM 371 N ASP A 24 2.543 -4.320 10.022 1.00 0.00 N ATOM 372 CA ASP A 24 1.920 -3.713 11.186 1.00 0.00 C ATOM 373 C ASP A 24 0.411 -3.608 10.955 1.00 0.00 C ATOM 374 O ASP A 24 -0.374 -3.727 11.895 1.00 0.00 O ATOM 375 CB ASP A 24 2.461 -2.303 11.428 1.00 0.00 C ATOM 376 CG ASP A 24 2.338 -1.350 10.237 1.00 0.00 C ATOM 377 OD1 ASP A 24 2.008 -1.852 9.141 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.578 -0.142 10.450 1.00 0.00 O ATOM 0 H ASP A 24 3.232 -3.733 9.552 1.00 0.00 H new ATOM 0 HA ASP A 24 2.142 -4.337 12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.934 -1.869 12.278 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.512 -2.376 11.708 1.00 0.00 H new ATOM 383 N GLY A 25 0.051 -3.385 9.700 1.00 0.00 N ATOM 384 CA GLY A 25 -1.350 -3.262 9.334 1.00 0.00 C ATOM 385 C GLY A 25 -1.588 -2.006 8.493 1.00 0.00 C ATOM 386 O GLY A 25 -2.658 -1.839 7.909 1.00 0.00 O ATOM 0 H GLY A 25 0.705 -3.286 8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.662 -4.144 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.963 -3.223 10.235 1.00 0.00 H new ATOM 390 N THR A 26 -0.574 -1.154 8.459 1.00 0.00 N ATOM 391 CA THR A 26 -0.660 0.082 7.699 1.00 0.00 C ATOM 392 C THR A 26 0.446 0.137 6.644 1.00 0.00 C ATOM 393 O THR A 26 1.545 -0.369 6.864 1.00 0.00 O ATOM 394 CB THR A 26 -0.615 1.248 8.688 1.00 0.00 C ATOM 395 OG1 THR A 26 0.609 1.060 9.393 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.690 1.139 9.772 1.00 0.00 C ATOM 0 H THR A 26 0.311 -1.295 8.945 1.00 0.00 H new ATOM 0 HA THR A 26 -1.597 0.142 7.145 1.00 0.00 H new ATOM 0 HB THR A 26 -0.739 2.186 8.147 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.718 1.775 10.055 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.614 1.991 10.447 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.676 1.131 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.547 0.216 10.335 1.00 0.00 H new ATOM 404 N ILE A 27 0.117 0.757 5.520 1.00 0.00 N ATOM 405 CA ILE A 27 1.069 0.885 4.429 1.00 0.00 C ATOM 406 C ILE A 27 1.427 2.361 4.241 1.00 0.00 C ATOM 407 O ILE A 27 0.625 3.137 3.724 1.00 0.00 O ATOM 408 CB ILE A 27 0.527 0.218 3.164 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.304 -1.280 3.386 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.440 0.490 1.967 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.570 -1.874 2.280 1.00 0.00 C ATOM 0 H ILE A 27 -0.795 1.176 5.341 1.00 0.00 H new ATOM 0 HA ILE A 27 1.994 0.360 4.667 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.444 0.658 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.265 -1.794 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.169 -1.441 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.032 0.005 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.504 1.564 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.435 0.095 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.713 -2.939 2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.538 -1.374 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.082 -1.733 1.315 1.00 0.00 H new ATOM 423 N THR A 28 2.632 2.704 4.672 1.00 0.00 N ATOM 424 CA THR A 28 3.106 4.073 4.558 1.00 0.00 C ATOM 425 C THR A 28 3.528 4.372 3.118 1.00 0.00 C ATOM 426 O THR A 28 3.013 3.769 2.178 1.00 0.00 O ATOM 427 CB THR A 28 4.232 4.270 5.575 1.00 0.00 C ATOM 428 OG1 THR A 28 4.626 5.627 5.397 1.00 0.00 O ATOM 429 CG2 THR A 28 5.486 3.468 5.222 1.00 0.00 C ATOM 0 H THR A 28 3.294 2.058 5.101 1.00 0.00 H new ATOM 0 HA THR A 28 2.314 4.787 4.787 1.00 0.00 H new ATOM 0 HB THR A 28 3.882 3.979 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.604 5.688 5.410 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.254 3.643 5.975 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.242 2.406 5.193 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.856 3.782 4.246 1.00 0.00 H new ATOM 437 N THR A 29 4.460 5.305 2.991 1.00 0.00 N ATOM 438 CA THR A 29 4.957 5.692 1.681 1.00 0.00 C ATOM 439 C THR A 29 6.044 4.721 1.215 1.00 0.00 C ATOM 440 O THR A 29 5.920 4.107 0.156 1.00 0.00 O ATOM 441 CB THR A 29 5.435 7.143 1.767 1.00 0.00 C ATOM 442 OG1 THR A 29 6.074 7.223 3.039 1.00 0.00 O ATOM 443 CG2 THR A 29 4.276 8.136 1.869 1.00 0.00 C ATOM 0 H THR A 29 4.884 5.804 3.773 1.00 0.00 H new ATOM 0 HA THR A 29 4.171 5.637 0.928 1.00 0.00 H new ATOM 0 HB THR A 29 6.039 7.379 0.891 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.416 8.131 3.177 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.670 9.151 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.640 8.044 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.691 7.922 2.764 1.00 0.00 H new ATOM 451 N LYS A 30 7.084 4.612 2.028 1.00 0.00 N ATOM 452 CA LYS A 30 8.192 3.727 1.712 1.00 0.00 C ATOM 453 C LYS A 30 7.649 2.332 1.394 1.00 0.00 C ATOM 454 O LYS A 30 7.918 1.786 0.325 1.00 0.00 O ATOM 455 CB LYS A 30 9.228 3.741 2.837 1.00 0.00 C ATOM 456 CG LYS A 30 10.638 3.511 2.288 1.00 0.00 C ATOM 457 CD LYS A 30 11.697 4.027 3.264 1.00 0.00 C ATOM 458 CE LYS A 30 13.092 3.541 2.866 1.00 0.00 C ATOM 459 NZ LYS A 30 14.035 4.679 2.787 1.00 0.00 N ATOM 0 H LYS A 30 7.183 5.122 2.906 1.00 0.00 H new ATOM 0 HA LYS A 30 8.717 4.077 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.189 4.697 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.988 2.968 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.793 2.447 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.745 4.017 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.679 5.117 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.464 3.687 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.451 2.813 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.045 3.032 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.977 4.331 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.699 5.359 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.093 5.147 3.714 1.00 0.00 H new ATOM 473 N GLU A 31 6.895 1.795 2.342 1.00 0.00 N ATOM 474 CA GLU A 31 6.312 0.474 2.176 1.00 0.00 C ATOM 475 C GLU A 31 5.514 0.406 0.872 1.00 0.00 C ATOM 476 O GLU A 31 5.263 -0.679 0.350 1.00 0.00 O ATOM 477 CB GLU A 31 5.435 0.108 3.375 1.00 0.00 C ATOM 478 CG GLU A 31 6.262 0.051 4.662 1.00 0.00 C ATOM 479 CD GLU A 31 5.401 -0.390 5.847 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.932 -1.548 5.808 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.231 0.441 6.766 1.00 0.00 O ATOM 0 H GLU A 31 6.674 2.250 3.228 1.00 0.00 H new ATOM 0 HA GLU A 31 7.121 -0.255 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.637 0.842 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.959 -0.857 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.093 -0.642 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.693 1.031 4.866 1.00 0.00 H new ATOM 488 N LEU A 32 5.138 1.579 0.384 1.00 0.00 N ATOM 489 CA LEU A 32 4.374 1.666 -0.849 1.00 0.00 C ATOM 490 C LEU A 32 5.336 1.726 -2.037 1.00 0.00 C ATOM 491 O LEU A 32 5.116 1.069 -3.053 1.00 0.00 O ATOM 492 CB LEU A 32 3.394 2.840 -0.790 1.00 0.00 C ATOM 493 CG LEU A 32 2.257 2.816 -1.814 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.973 2.263 -1.193 1.00 0.00 C ATOM 495 CD2 LEU A 32 2.046 4.200 -2.431 1.00 0.00 C ATOM 0 H LEU A 32 5.348 2.477 0.820 1.00 0.00 H new ATOM 0 HA LEU A 32 3.760 0.775 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.957 2.873 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.956 3.764 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 32 2.539 2.143 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.180 2.256 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.148 1.246 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.675 2.892 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.233 4.155 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.795 4.914 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.960 4.518 -2.932 1.00 0.00 H new ATOM 507 N GLY A 33 6.383 2.522 -1.870 1.00 0.00 N ATOM 508 CA GLY A 33 7.379 2.677 -2.916 1.00 0.00 C ATOM 509 C GLY A 33 8.326 1.475 -2.954 1.00 0.00 C ATOM 510 O GLY A 33 9.108 1.326 -3.891 1.00 0.00 O ATOM 0 H GLY A 33 6.562 3.066 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.884 2.785 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.950 3.590 -2.747 1.00 0.00 H new ATOM 514 N THR A 34 8.223 0.649 -1.923 1.00 0.00 N ATOM 515 CA THR A 34 9.060 -0.535 -1.827 1.00 0.00 C ATOM 516 C THR A 34 8.624 -1.582 -2.854 1.00 0.00 C ATOM 517 O THR A 34 9.356 -1.873 -3.799 1.00 0.00 O ATOM 518 CB THR A 34 9.002 -1.039 -0.384 1.00 0.00 C ATOM 519 OG1 THR A 34 10.216 -0.570 0.197 1.00 0.00 O ATOM 520 CG2 THR A 34 9.109 -2.563 -0.291 1.00 0.00 C ATOM 0 H THR A 34 7.573 0.776 -1.147 1.00 0.00 H new ATOM 0 HA THR A 34 10.099 -0.305 -2.065 1.00 0.00 H new ATOM 0 HB THR A 34 8.070 -0.712 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.260 -0.851 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.063 -2.868 0.754 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.285 -3.020 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.056 -2.888 -0.722 1.00 0.00 H new ATOM 528 N VAL A 35 7.433 -2.119 -2.634 1.00 0.00 N ATOM 529 CA VAL A 35 6.890 -3.128 -3.529 1.00 0.00 C ATOM 530 C VAL A 35 7.103 -2.685 -4.978 1.00 0.00 C ATOM 531 O VAL A 35 7.281 -3.518 -5.865 1.00 0.00 O ATOM 532 CB VAL A 35 5.420 -3.388 -3.193 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.635 -3.790 -4.444 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.288 -4.449 -2.099 1.00 0.00 C ATOM 0 H VAL A 35 6.829 -1.875 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 35 7.412 -4.076 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 35 4.993 -2.460 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.593 -3.969 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.689 -2.988 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.063 -4.699 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.234 -4.615 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.739 -5.381 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.797 -4.108 -1.198 1.00 0.00 H new ATOM 544 N MET A 36 7.078 -1.375 -5.173 1.00 0.00 N ATOM 545 CA MET A 36 7.266 -0.812 -6.499 1.00 0.00 C ATOM 546 C MET A 36 8.670 -1.112 -7.028 1.00 0.00 C ATOM 547 O MET A 36 8.831 -1.503 -8.183 1.00 0.00 O ATOM 548 CB MET A 36 7.053 0.702 -6.446 1.00 0.00 C ATOM 549 CG MET A 36 5.611 1.040 -6.060 1.00 0.00 C ATOM 550 SD MET A 36 4.830 1.966 -7.371 1.00 0.00 S ATOM 551 CE MET A 36 3.171 1.314 -7.264 1.00 0.00 C ATOM 0 H MET A 36 6.930 -0.687 -4.435 1.00 0.00 H new ATOM 0 HA MET A 36 6.539 -1.267 -7.173 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.740 1.144 -5.724 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.285 1.140 -7.417 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.053 0.124 -5.868 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.599 1.620 -5.137 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.544 1.788 -8.019 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.192 0.237 -7.433 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.763 1.518 -6.274 1.00 0.00 H new ATOM 561 N ARG A 37 9.649 -0.919 -6.158 1.00 0.00 N ATOM 562 CA ARG A 37 11.034 -1.164 -6.523 1.00 0.00 C ATOM 563 C ARG A 37 11.276 -2.663 -6.711 1.00 0.00 C ATOM 564 O ARG A 37 12.169 -3.062 -7.457 1.00 0.00 O ATOM 565 CB ARG A 37 11.989 -0.631 -5.452 1.00 0.00 C ATOM 566 CG ARG A 37 12.307 0.847 -5.688 1.00 0.00 C ATOM 567 CD ARG A 37 12.214 1.643 -4.384 1.00 0.00 C ATOM 568 NE ARG A 37 12.651 0.803 -3.247 1.00 0.00 N ATOM 569 CZ ARG A 37 13.929 0.650 -2.872 1.00 0.00 C ATOM 570 NH1 ARG A 37 14.903 1.281 -3.542 1.00 0.00 N ATOM 571 NH2 ARG A 37 14.232 -0.132 -1.827 1.00 0.00 N ATOM 0 H ARG A 37 9.511 -0.596 -5.201 1.00 0.00 H new ATOM 0 HA ARG A 37 11.227 -0.641 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.542 -0.758 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.912 -1.211 -5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.308 0.945 -6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.613 1.260 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.836 2.536 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.189 1.979 -4.226 1.00 0.00 H new ATOM 0 HE ARG A 37 11.935 0.309 -2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.672 1.877 -4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.876 1.165 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.490 -0.611 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.204 -0.248 -1.542 1.00 0.00 H new ATOM 585 N SER A 38 10.464 -3.452 -6.023 1.00 0.00 N ATOM 586 CA SER A 38 10.579 -4.898 -6.105 1.00 0.00 C ATOM 587 C SER A 38 9.736 -5.424 -7.268 1.00 0.00 C ATOM 588 O SER A 38 9.643 -6.633 -7.475 1.00 0.00 O ATOM 589 CB SER A 38 10.147 -5.560 -4.795 1.00 0.00 C ATOM 590 OG SER A 38 8.754 -5.393 -4.546 1.00 0.00 O ATOM 0 H SER A 38 9.724 -3.117 -5.406 1.00 0.00 H new ATOM 0 HA SER A 38 11.625 -5.149 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.384 -6.623 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.716 -5.134 -3.969 1.00 0.00 H new ATOM 0 HG SER A 38 8.384 -4.742 -5.178 1.00 0.00 H new ATOM 596 N LEU A 39 9.144 -4.490 -7.998 1.00 0.00 N ATOM 597 CA LEU A 39 8.312 -4.845 -9.136 1.00 0.00 C ATOM 598 C LEU A 39 8.933 -4.276 -10.413 1.00 0.00 C ATOM 599 O LEU A 39 9.573 -5.001 -11.173 1.00 0.00 O ATOM 600 CB LEU A 39 6.868 -4.399 -8.903 1.00 0.00 C ATOM 601 CG LEU A 39 5.809 -5.071 -9.780 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.643 -5.586 -8.934 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.339 -4.129 -10.890 1.00 0.00 C ATOM 0 H LEU A 39 9.224 -3.488 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 39 8.271 -5.928 -9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.616 -4.582 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.811 -3.322 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 39 6.264 -5.936 -10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.905 -6.059 -9.582 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.011 -6.314 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.181 -4.752 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.587 -4.631 -11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.908 -3.231 -10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.187 -3.853 -11.516 1.00 0.00 H new ATOM 615 N GLY A 40 8.722 -2.983 -10.610 1.00 0.00 N ATOM 616 CA GLY A 40 9.253 -2.308 -11.783 1.00 0.00 C ATOM 617 C GLY A 40 8.908 -0.818 -11.760 1.00 0.00 C ATOM 618 O GLY A 40 8.668 -0.217 -12.806 1.00 0.00 O ATOM 0 H GLY A 40 8.191 -2.385 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.335 -2.434 -11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.847 -2.765 -12.685 1.00 0.00 H new ATOM 622 N GLN A 41 8.896 -0.264 -10.557 1.00 0.00 N ATOM 623 CA GLN A 41 8.585 1.145 -10.385 1.00 0.00 C ATOM 624 C GLN A 41 9.541 1.780 -9.373 1.00 0.00 C ATOM 625 O GLN A 41 10.468 1.127 -8.895 1.00 0.00 O ATOM 626 CB GLN A 41 7.128 1.337 -9.957 1.00 0.00 C ATOM 627 CG GLN A 41 6.214 1.481 -11.175 1.00 0.00 C ATOM 628 CD GLN A 41 4.869 2.096 -10.781 1.00 0.00 C ATOM 629 OE1 GLN A 41 4.693 3.303 -10.755 1.00 0.00 O ATOM 630 NE2 GLN A 41 3.933 1.201 -10.477 1.00 0.00 N ATOM 0 H GLN A 41 9.097 -0.765 -9.692 1.00 0.00 H new ATOM 0 HA GLN A 41 8.717 1.645 -11.344 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.807 0.487 -9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.044 2.223 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.698 2.106 -11.926 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.052 0.504 -11.630 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.147 0.205 -10.519 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.001 1.511 -10.202 1.00 0.00 H new ATOM 639 N ASN A 42 9.284 3.045 -9.077 1.00 0.00 N ATOM 640 CA ASN A 42 10.110 3.775 -8.131 1.00 0.00 C ATOM 641 C ASN A 42 9.623 5.223 -8.047 1.00 0.00 C ATOM 642 O ASN A 42 10.340 6.147 -8.430 1.00 0.00 O ATOM 643 CB ASN A 42 11.573 3.794 -8.578 1.00 0.00 C ATOM 644 CG ASN A 42 12.512 3.919 -7.376 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.129 3.729 -6.234 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.760 4.250 -7.697 1.00 0.00 N ATOM 0 H ASN A 42 8.515 3.583 -9.476 1.00 0.00 H new ATOM 0 HA ASN A 42 10.034 3.278 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.801 2.881 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.738 4.628 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.463 4.359 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.014 4.395 -8.674 1.00 0.00 H new ATOM 653 N PRO A 43 8.376 5.381 -7.528 1.00 0.00 N ATOM 654 CA PRO A 43 7.785 6.701 -7.389 1.00 0.00 C ATOM 655 C PRO A 43 8.406 7.458 -6.214 1.00 0.00 C ATOM 656 O PRO A 43 8.733 6.862 -5.189 1.00 0.00 O ATOM 657 CB PRO A 43 6.296 6.449 -7.212 1.00 0.00 C ATOM 658 CG PRO A 43 6.167 4.993 -6.795 1.00 0.00 C ATOM 659 CD PRO A 43 7.498 4.311 -7.064 1.00 0.00 C ATOM 0 HA PRO A 43 7.968 7.337 -8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.875 7.111 -6.455 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.755 6.639 -8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.907 4.920 -5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.368 4.505 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.890 3.839 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.397 3.528 -7.815 1.00 0.00 H new ATOM 667 N THR A 44 8.551 8.762 -6.401 1.00 0.00 N ATOM 668 CA THR A 44 9.127 9.607 -5.370 1.00 0.00 C ATOM 669 C THR A 44 8.157 9.752 -4.195 1.00 0.00 C ATOM 670 O THR A 44 6.967 9.473 -4.330 1.00 0.00 O ATOM 671 CB THR A 44 9.507 10.943 -6.011 1.00 0.00 C ATOM 672 OG1 THR A 44 8.339 11.329 -6.729 1.00 0.00 O ATOM 673 CG2 THR A 44 10.577 10.789 -7.094 1.00 0.00 C ATOM 0 H THR A 44 8.279 9.254 -7.252 1.00 0.00 H new ATOM 0 HA THR A 44 10.030 9.161 -4.953 1.00 0.00 H new ATOM 0 HB THR A 44 9.866 11.626 -5.241 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.498 12.187 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.810 11.766 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.478 10.358 -6.657 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.206 10.133 -7.881 1.00 0.00 H new ATOM 681 N GLU A 45 8.703 10.187 -3.069 1.00 0.00 N ATOM 682 CA GLU A 45 7.901 10.371 -1.871 1.00 0.00 C ATOM 683 C GLU A 45 6.728 11.311 -2.157 1.00 0.00 C ATOM 684 O GLU A 45 5.747 11.329 -1.415 1.00 0.00 O ATOM 685 CB GLU A 45 8.755 10.896 -0.715 1.00 0.00 C ATOM 686 CG GLU A 45 9.198 9.754 0.201 1.00 0.00 C ATOM 687 CD GLU A 45 9.936 10.291 1.430 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.884 11.079 1.222 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.535 9.902 2.548 1.00 0.00 O ATOM 0 H GLU A 45 9.691 10.417 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 45 7.501 9.402 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.631 11.411 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.186 11.628 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.328 9.179 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.848 9.073 -0.349 1.00 0.00 H new ATOM 696 N ALA A 46 6.868 12.069 -3.235 1.00 0.00 N ATOM 697 CA ALA A 46 5.832 13.009 -3.628 1.00 0.00 C ATOM 698 C ALA A 46 4.704 12.253 -4.332 1.00 0.00 C ATOM 699 O ALA A 46 3.529 12.474 -4.042 1.00 0.00 O ATOM 700 CB ALA A 46 6.442 14.101 -4.511 1.00 0.00 C ATOM 0 H ALA A 46 7.683 12.051 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 46 5.405 13.498 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.665 14.806 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.218 14.627 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.878 13.648 -5.401 1.00 0.00 H new ATOM 706 N GLU A 47 5.100 11.377 -5.243 1.00 0.00 N ATOM 707 CA GLU A 47 4.136 10.587 -5.991 1.00 0.00 C ATOM 708 C GLU A 47 3.304 9.725 -5.039 1.00 0.00 C ATOM 709 O GLU A 47 2.085 9.874 -4.967 1.00 0.00 O ATOM 710 CB GLU A 47 4.834 9.723 -7.043 1.00 0.00 C ATOM 711 CG GLU A 47 3.821 8.878 -7.818 1.00 0.00 C ATOM 712 CD GLU A 47 3.660 9.392 -9.250 1.00 0.00 C ATOM 713 OE1 GLU A 47 3.129 10.515 -9.393 1.00 0.00 O ATOM 714 OE2 GLU A 47 4.070 8.651 -10.169 1.00 0.00 O ATOM 0 H GLU A 47 6.075 11.196 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 47 3.465 11.268 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.386 10.360 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.562 9.072 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.147 7.838 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.857 8.901 -7.309 1.00 0.00 H new ATOM 721 N LEU A 48 3.995 8.844 -4.331 1.00 0.00 N ATOM 722 CA LEU A 48 3.335 7.959 -3.387 1.00 0.00 C ATOM 723 C LEU A 48 2.274 8.745 -2.614 1.00 0.00 C ATOM 724 O LEU A 48 1.097 8.390 -2.632 1.00 0.00 O ATOM 725 CB LEU A 48 4.364 7.268 -2.490 1.00 0.00 C ATOM 726 CG LEU A 48 5.420 6.424 -3.207 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.717 6.365 -2.398 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.881 5.029 -3.529 1.00 0.00 C ATOM 0 H LEU A 48 5.006 8.724 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 48 2.818 7.158 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.875 8.031 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.832 6.627 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 48 5.655 6.905 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.450 5.759 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.108 7.373 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.518 5.920 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.651 4.450 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.600 4.525 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.007 5.117 -4.174 1.00 0.00 H new ATOM 740 N GLN A 49 2.730 9.799 -1.952 1.00 0.00 N ATOM 741 CA GLN A 49 1.836 10.639 -1.174 1.00 0.00 C ATOM 742 C GLN A 49 0.496 10.798 -1.895 1.00 0.00 C ATOM 743 O GLN A 49 -0.562 10.711 -1.274 1.00 0.00 O ATOM 744 CB GLN A 49 2.471 12.001 -0.890 1.00 0.00 C ATOM 745 CG GLN A 49 2.244 12.420 0.564 1.00 0.00 C ATOM 746 CD GLN A 49 3.249 11.736 1.494 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.448 11.744 1.268 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.695 11.146 2.549 1.00 0.00 N ATOM 0 H GLN A 49 3.708 10.090 -1.939 1.00 0.00 H new ATOM 0 HA GLN A 49 1.655 10.153 -0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.540 11.958 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.047 12.750 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.338 13.502 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.229 12.162 0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.684 11.177 2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.281 10.662 3.229 1.00 0.00 H new ATOM 757 N ASP A 50 0.585 11.029 -3.197 1.00 0.00 N ATOM 758 CA ASP A 50 -0.608 11.202 -4.010 1.00 0.00 C ATOM 759 C ASP A 50 -1.330 9.859 -4.139 1.00 0.00 C ATOM 760 O ASP A 50 -2.551 9.793 -4.013 1.00 0.00 O ATOM 761 CB ASP A 50 -0.250 11.684 -5.417 1.00 0.00 C ATOM 762 CG ASP A 50 -1.039 12.902 -5.903 1.00 0.00 C ATOM 763 OD1 ASP A 50 -0.644 14.024 -5.520 1.00 0.00 O ATOM 764 OD2 ASP A 50 -2.020 12.683 -6.646 1.00 0.00 O ATOM 0 H ASP A 50 1.464 11.100 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.242 11.944 -3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.813 11.924 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.409 10.864 -6.117 1.00 0.00 H new ATOM 769 N MET A 51 -0.544 8.823 -4.390 1.00 0.00 N ATOM 770 CA MET A 51 -1.093 7.485 -4.538 1.00 0.00 C ATOM 771 C MET A 51 -1.783 7.030 -3.251 1.00 0.00 C ATOM 772 O MET A 51 -2.826 6.380 -3.298 1.00 0.00 O ATOM 773 CB MET A 51 0.031 6.508 -4.888 1.00 0.00 C ATOM 774 CG MET A 51 0.758 6.941 -6.163 1.00 0.00 C ATOM 775 SD MET A 51 2.324 6.096 -6.290 1.00 0.00 S ATOM 776 CE MET A 51 2.487 6.010 -8.065 1.00 0.00 C ATOM 0 H MET A 51 0.469 8.882 -4.495 1.00 0.00 H new ATOM 0 HA MET A 51 -1.833 7.503 -5.338 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.740 6.453 -4.062 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.381 5.508 -5.022 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.144 6.718 -7.035 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.917 8.019 -6.152 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.540 5.917 -8.330 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.941 5.144 -8.439 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.080 6.917 -8.512 1.00 0.00 H new ATOM 786 N ILE A 52 -1.173 7.391 -2.131 1.00 0.00 N ATOM 787 CA ILE A 52 -1.716 7.028 -0.833 1.00 0.00 C ATOM 788 C ILE A 52 -3.058 7.734 -0.630 1.00 0.00 C ATOM 789 O ILE A 52 -4.053 7.099 -0.285 1.00 0.00 O ATOM 790 CB ILE A 52 -0.698 7.313 0.273 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.498 6.364 0.174 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.358 7.262 1.652 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.097 6.091 1.556 1.00 0.00 C ATOM 0 H ILE A 52 -0.308 7.931 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.909 5.956 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.318 8.325 0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.185 5.425 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.258 6.797 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.612 7.468 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.149 8.010 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.783 6.272 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.945 5.414 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.431 7.029 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.342 5.636 2.196 1.00 0.00 H new ATOM 805 N ASN A 53 -3.043 9.040 -0.854 1.00 0.00 N ATOM 806 CA ASN A 53 -4.246 9.840 -0.701 1.00 0.00 C ATOM 807 C ASN A 53 -5.297 9.371 -1.708 1.00 0.00 C ATOM 808 O ASN A 53 -6.481 9.289 -1.383 1.00 0.00 O ATOM 809 CB ASN A 53 -3.962 11.319 -0.968 1.00 0.00 C ATOM 810 CG ASN A 53 -3.359 11.994 0.266 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.848 11.865 1.376 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.275 12.720 0.010 1.00 0.00 N ATOM 0 H ASN A 53 -2.216 9.564 -1.140 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.602 9.720 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.277 11.415 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.886 11.825 -1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.800 13.212 0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.918 12.785 -0.943 1.00 0.00 H new ATOM 819 N GLU A 54 -4.827 9.075 -2.911 1.00 0.00 N ATOM 820 CA GLU A 54 -5.712 8.616 -3.968 1.00 0.00 C ATOM 821 C GLU A 54 -6.748 7.640 -3.407 1.00 0.00 C ATOM 822 O GLU A 54 -7.889 7.608 -3.865 1.00 0.00 O ATOM 823 CB GLU A 54 -4.918 7.976 -5.109 1.00 0.00 C ATOM 824 CG GLU A 54 -4.500 9.025 -6.142 1.00 0.00 C ATOM 825 CD GLU A 54 -4.618 8.472 -7.563 1.00 0.00 C ATOM 826 OE1 GLU A 54 -3.677 7.758 -7.974 1.00 0.00 O ATOM 827 OE2 GLU A 54 -5.645 8.775 -8.207 1.00 0.00 O ATOM 0 H GLU A 54 -3.845 9.144 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.238 9.480 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.033 7.482 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.522 7.207 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.126 9.911 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.473 9.337 -5.953 1.00 0.00 H new ATOM 834 N VAL A 55 -6.314 6.867 -2.422 1.00 0.00 N ATOM 835 CA VAL A 55 -7.189 5.893 -1.793 1.00 0.00 C ATOM 836 C VAL A 55 -7.477 6.326 -0.354 1.00 0.00 C ATOM 837 O VAL A 55 -8.631 6.356 0.070 1.00 0.00 O ATOM 838 CB VAL A 55 -6.570 4.497 -1.885 1.00 0.00 C ATOM 839 CG1 VAL A 55 -7.075 3.753 -3.123 1.00 0.00 C ATOM 840 CG2 VAL A 55 -5.042 4.573 -1.876 1.00 0.00 C ATOM 0 H VAL A 55 -5.367 6.896 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.145 5.845 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.883 3.934 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.619 2.764 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.159 3.651 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.807 4.313 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.627 3.567 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.702 5.163 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.707 5.044 -0.952 1.00 0.00 H new ATOM 850 N ASP A 56 -6.408 6.651 0.357 1.00 0.00 N ATOM 851 CA ASP A 56 -6.531 7.081 1.739 1.00 0.00 C ATOM 852 C ASP A 56 -7.346 8.375 1.796 1.00 0.00 C ATOM 853 O ASP A 56 -6.802 9.464 1.615 1.00 0.00 O ATOM 854 CB ASP A 56 -5.158 7.361 2.354 1.00 0.00 C ATOM 855 CG ASP A 56 -5.187 8.110 3.687 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.408 9.339 3.643 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.986 7.437 4.721 1.00 0.00 O ATOM 0 H ASP A 56 -5.452 6.625 0.002 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.021 6.283 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.641 6.412 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.569 7.939 1.642 1.00 0.00 H new ATOM 862 N ALA A 57 -8.637 8.213 2.046 1.00 0.00 N ATOM 863 CA ALA A 57 -9.532 9.355 2.128 1.00 0.00 C ATOM 864 C ALA A 57 -9.590 9.849 3.575 1.00 0.00 C ATOM 865 O ALA A 57 -10.163 10.901 3.853 1.00 0.00 O ATOM 866 CB ALA A 57 -10.910 8.963 1.591 1.00 0.00 C ATOM 0 H ALA A 57 -9.085 7.309 2.194 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.164 10.176 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.582 9.819 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.819 8.647 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.312 8.143 2.186 1.00 0.00 H new ATOM 872 N ASP A 58 -8.989 9.065 4.459 1.00 0.00 N ATOM 873 CA ASP A 58 -8.965 9.410 5.870 1.00 0.00 C ATOM 874 C ASP A 58 -7.908 10.489 6.109 1.00 0.00 C ATOM 875 O ASP A 58 -8.017 11.273 7.051 1.00 0.00 O ATOM 876 CB ASP A 58 -8.604 8.196 6.728 1.00 0.00 C ATOM 877 CG ASP A 58 -7.209 7.619 6.477 1.00 0.00 C ATOM 878 OD1 ASP A 58 -7.109 6.737 5.597 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.274 8.074 7.171 1.00 0.00 O ATOM 0 H ASP A 58 -8.515 8.192 4.225 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.958 9.765 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.681 8.476 7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.342 7.413 6.552 1.00 0.00 H new ATOM 884 N GLY A 59 -6.907 10.495 5.241 1.00 0.00 N ATOM 885 CA GLY A 59 -5.831 11.465 5.345 1.00 0.00 C ATOM 886 C GLY A 59 -5.201 11.437 6.740 1.00 0.00 C ATOM 887 O GLY A 59 -4.843 12.481 7.284 1.00 0.00 O ATOM 0 H GLY A 59 -6.819 9.843 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.070 11.252 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.215 12.463 5.135 1.00 0.00 H new ATOM 891 N ASN A 60 -5.085 10.232 7.277 1.00 0.00 N ATOM 892 CA ASN A 60 -4.505 10.054 8.598 1.00 0.00 C ATOM 893 C ASN A 60 -3.069 9.545 8.455 1.00 0.00 C ATOM 894 O ASN A 60 -2.353 9.410 9.446 1.00 0.00 O ATOM 895 CB ASN A 60 -5.293 9.026 9.411 1.00 0.00 C ATOM 896 CG ASN A 60 -4.751 7.613 9.182 1.00 0.00 C ATOM 897 OD1 ASN A 60 -4.259 7.275 8.118 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.868 6.811 10.236 1.00 0.00 N ATOM 0 H ASN A 60 -5.383 9.369 6.822 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.531 11.016 9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.236 9.274 10.471 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.346 9.065 9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.535 5.848 10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.290 7.159 11.097 1.00 0.00 H new ATOM 905 N GLY A 61 -2.692 9.276 7.214 1.00 0.00 N ATOM 906 CA GLY A 61 -1.354 8.784 6.928 1.00 0.00 C ATOM 907 C GLY A 61 -1.349 7.261 6.787 1.00 0.00 C ATOM 908 O GLY A 61 -2.073 6.565 7.498 1.00 0.00 O ATOM 0 H GLY A 61 -3.289 9.389 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.984 9.239 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.675 9.081 7.727 1.00 0.00 H new ATOM 912 N THR A 62 -0.524 6.787 5.864 1.00 0.00 N ATOM 913 CA THR A 62 -0.415 5.359 5.621 1.00 0.00 C ATOM 914 C THR A 62 -1.729 4.811 5.061 1.00 0.00 C ATOM 915 O THR A 62 -2.729 5.525 5.004 1.00 0.00 O ATOM 916 CB THR A 62 0.016 4.688 6.926 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.212 4.338 7.559 1.00 0.00 O ATOM 918 CG2 THR A 62 0.670 5.669 7.901 1.00 0.00 C ATOM 0 H THR A 62 0.075 7.367 5.276 1.00 0.00 H new ATOM 0 HA THR A 62 0.339 5.144 4.864 1.00 0.00 H new ATOM 0 HB THR A 62 0.711 3.878 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.679 5.153 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.957 5.141 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.556 6.105 7.439 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.037 6.461 8.149 1.00 0.00 H new ATOM 926 N ILE A 63 -1.685 3.549 4.661 1.00 0.00 N ATOM 927 CA ILE A 63 -2.859 2.897 4.108 1.00 0.00 C ATOM 928 C ILE A 63 -3.166 1.635 4.917 1.00 0.00 C ATOM 929 O ILE A 63 -2.263 0.862 5.233 1.00 0.00 O ATOM 930 CB ILE A 63 -2.674 2.638 2.611 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.387 3.941 1.861 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.877 1.894 2.030 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.532 4.286 0.906 1.00 0.00 C ATOM 0 H ILE A 63 -0.854 2.960 4.709 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.729 3.548 4.190 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.805 1.993 2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.247 4.753 2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.457 3.845 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.719 1.723 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.993 0.937 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.778 2.491 2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.304 5.216 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.654 3.483 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.455 4.405 1.473 1.00 0.00 H new ATOM 945 N ASP A 64 -4.442 1.466 5.229 1.00 0.00 N ATOM 946 CA ASP A 64 -4.879 0.311 5.995 1.00 0.00 C ATOM 947 C ASP A 64 -5.543 -0.697 5.055 1.00 0.00 C ATOM 948 O ASP A 64 -5.529 -0.519 3.838 1.00 0.00 O ATOM 949 CB ASP A 64 -5.904 0.711 7.058 1.00 0.00 C ATOM 950 CG ASP A 64 -5.395 1.704 8.105 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.822 1.227 9.109 1.00 0.00 O ATOM 952 OD2 ASP A 64 -5.590 2.918 7.879 1.00 0.00 O ATOM 0 H ASP A 64 -5.188 2.110 4.965 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.005 -0.122 6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.772 1.144 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.246 -0.189 7.569 1.00 0.00 H new ATOM 957 N PHE A 65 -6.108 -1.734 5.655 1.00 0.00 N ATOM 958 CA PHE A 65 -6.775 -2.772 4.887 1.00 0.00 C ATOM 959 C PHE A 65 -8.026 -2.224 4.197 1.00 0.00 C ATOM 960 O PHE A 65 -8.260 -2.496 3.021 1.00 0.00 O ATOM 961 CB PHE A 65 -7.189 -3.864 5.876 1.00 0.00 C ATOM 962 CG PHE A 65 -7.583 -5.186 5.213 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.876 -5.649 4.148 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.639 -5.897 5.690 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.241 -6.876 3.533 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.004 -7.124 5.076 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.298 -7.588 4.010 1.00 0.00 C ATOM 0 H PHE A 65 -6.118 -1.878 6.665 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.105 -3.154 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.365 -4.047 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.028 -3.503 6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.037 -5.084 3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.200 -5.528 6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.680 -7.244 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.842 -7.689 5.455 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.576 -8.521 3.542 1.00 0.00 H new ATOM 977 N PRO A 66 -8.818 -1.442 4.979 1.00 0.00 N ATOM 978 CA PRO A 66 -10.039 -0.853 4.456 1.00 0.00 C ATOM 979 C PRO A 66 -9.727 0.326 3.532 1.00 0.00 C ATOM 980 O PRO A 66 -10.618 0.848 2.864 1.00 0.00 O ATOM 981 CB PRO A 66 -10.839 -0.450 5.684 1.00 0.00 C ATOM 982 CG PRO A 66 -9.844 -0.401 6.832 1.00 0.00 C ATOM 983 CD PRO A 66 -8.572 -1.098 6.377 1.00 0.00 C ATOM 0 HA PRO A 66 -10.608 -1.546 3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.316 0.519 5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.633 -1.169 5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.634 0.631 7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.254 -0.893 7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.705 -0.445 6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.372 -1.987 6.975 1.00 0.00 H new ATOM 991 N GLU A 67 -8.460 0.711 3.524 1.00 0.00 N ATOM 992 CA GLU A 67 -8.019 1.819 2.693 1.00 0.00 C ATOM 993 C GLU A 67 -7.340 1.295 1.426 1.00 0.00 C ATOM 994 O GLU A 67 -7.344 1.963 0.394 1.00 0.00 O ATOM 995 CB GLU A 67 -7.087 2.750 3.470 1.00 0.00 C ATOM 996 CG GLU A 67 -7.554 2.910 4.918 1.00 0.00 C ATOM 997 CD GLU A 67 -8.565 4.052 5.046 1.00 0.00 C ATOM 998 OE1 GLU A 67 -9.430 4.145 4.149 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.449 4.804 6.037 1.00 0.00 O ATOM 0 H GLU A 67 -7.724 0.276 4.080 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.894 2.398 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.073 2.352 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.054 3.726 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.005 1.980 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.696 3.106 5.561 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.773 0.103 1.547 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.091 -0.518 0.424 1.00 0.00 C ATOM 1008 C PHE A 68 -7.034 -1.445 -0.345 1.00 0.00 C ATOM 1009 O PHE A 68 -6.884 -1.625 -1.553 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.941 -1.345 1.002 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.635 -2.621 0.215 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.467 -3.693 0.309 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.532 -2.683 -0.578 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -5.183 -4.878 -0.422 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.249 -3.868 -1.309 1.00 0.00 C ATOM 1016 CZ PHE A 68 -4.080 -4.940 -1.215 1.00 0.00 C ATOM 0 H PHE A 68 -6.772 -0.449 2.405 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.735 0.248 -0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.044 -0.727 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.181 -1.614 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.343 -3.644 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.871 -1.832 -0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.843 -5.729 -0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.374 -3.917 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.864 -5.841 -1.770 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.984 -2.009 0.386 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.952 -2.912 -0.213 1.00 0.00 C ATOM 1028 C LEU A 69 -9.480 -2.300 -1.512 1.00 0.00 C ATOM 1029 O LEU A 69 -9.795 -3.019 -2.459 1.00 0.00 O ATOM 1030 CB LEU A 69 -10.050 -3.264 0.792 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.764 -4.454 1.710 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.663 -4.420 2.948 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.884 -5.775 0.949 1.00 0.00 C ATOM 0 H LEU A 69 -8.104 -1.858 1.388 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.478 -3.858 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.240 -2.389 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.968 -3.469 0.240 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.734 -4.377 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.439 -5.277 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.483 -3.499 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.708 -4.460 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.676 -6.604 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.894 -5.875 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.168 -5.788 0.127 1.00 0.00 H new ATOM 1045 N THR A 70 -9.560 -0.977 -1.515 1.00 0.00 N ATOM 1046 CA THR A 70 -10.044 -0.260 -2.682 1.00 0.00 C ATOM 1047 C THR A 70 -9.031 -0.355 -3.825 1.00 0.00 C ATOM 1048 O THR A 70 -9.412 -0.483 -4.988 1.00 0.00 O ATOM 1049 CB THR A 70 -10.351 1.178 -2.260 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.336 1.910 -3.482 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.220 1.801 -1.438 1.00 0.00 C ATOM 0 H THR A 70 -9.298 -0.384 -0.728 1.00 0.00 H new ATOM 0 HA THR A 70 -10.962 -0.704 -3.066 1.00 0.00 H new ATOM 0 HB THR A 70 -11.274 1.197 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.528 2.854 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.489 2.821 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.060 1.213 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.304 1.813 -2.029 1.00 0.00 H new ATOM 1059 N MET A 71 -7.761 -0.288 -3.454 1.00 0.00 N ATOM 1060 CA MET A 71 -6.690 -0.364 -4.433 1.00 0.00 C ATOM 1061 C MET A 71 -6.844 -1.603 -5.318 1.00 0.00 C ATOM 1062 O MET A 71 -6.848 -1.498 -6.543 1.00 0.00 O ATOM 1063 CB MET A 71 -5.342 -0.415 -3.712 1.00 0.00 C ATOM 1064 CG MET A 71 -4.407 0.684 -4.220 1.00 0.00 C ATOM 1065 SD MET A 71 -2.860 -0.029 -4.756 1.00 0.00 S ATOM 1066 CE MET A 71 -2.970 0.276 -6.511 1.00 0.00 C ATOM 0 H MET A 71 -7.449 -0.182 -2.489 1.00 0.00 H new ATOM 0 HA MET A 71 -6.739 0.521 -5.067 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.495 -0.300 -2.639 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.880 -1.390 -3.866 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.876 1.219 -5.046 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.226 1.413 -3.430 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.077 -0.109 -7.004 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.851 -0.224 -6.913 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.049 1.348 -6.690 1.00 0.00 H new ATOM 1076 N MET A 72 -6.966 -2.748 -4.662 1.00 0.00 N ATOM 1077 CA MET A 72 -7.119 -4.005 -5.373 1.00 0.00 C ATOM 1078 C MET A 72 -8.347 -3.973 -6.286 1.00 0.00 C ATOM 1079 O MET A 72 -8.284 -4.412 -7.433 1.00 0.00 O ATOM 1080 CB MET A 72 -7.262 -5.148 -4.366 1.00 0.00 C ATOM 1081 CG MET A 72 -5.972 -5.337 -3.565 1.00 0.00 C ATOM 1082 SD MET A 72 -5.228 -6.909 -3.968 1.00 0.00 S ATOM 1083 CE MET A 72 -3.572 -6.375 -4.366 1.00 0.00 C ATOM 0 H MET A 72 -6.962 -2.831 -3.645 1.00 0.00 H new ATOM 0 HA MET A 72 -6.234 -4.161 -5.990 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.089 -4.938 -3.687 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.507 -6.071 -4.891 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.275 -4.528 -3.786 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.187 -5.290 -2.497 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.872 -7.188 -4.175 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.523 -6.094 -5.418 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.308 -5.516 -3.748 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.435 -3.448 -5.742 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.675 -3.353 -6.493 1.00 0.00 C ATOM 1095 C ALA A 73 -10.410 -2.634 -7.817 1.00 0.00 C ATOM 1096 O ALA A 73 -10.851 -3.087 -8.873 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.732 -2.642 -5.645 1.00 0.00 C ATOM 0 H ALA A 73 -9.483 -3.084 -4.790 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.059 -4.346 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.663 -2.571 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.905 -3.208 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.383 -1.641 -5.393 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.692 -1.525 -7.719 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.363 -0.739 -8.896 1.00 0.00 C ATOM 1105 C ARG A 74 -7.862 -0.812 -9.180 1.00 0.00 C ATOM 1106 O ARG A 74 -7.169 0.204 -9.139 1.00 0.00 O ATOM 1107 CB ARG A 74 -9.771 0.724 -8.713 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.591 1.165 -7.259 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.709 2.685 -7.128 1.00 0.00 C ATOM 1110 NE ARG A 74 -8.391 3.317 -7.360 1.00 0.00 N ATOM 1111 CZ ARG A 74 -8.096 4.582 -7.031 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -9.024 5.357 -6.453 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -6.874 5.071 -7.279 1.00 0.00 N ATOM 0 H ARG A 74 -9.329 -1.152 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.916 -1.155 -9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.170 1.357 -9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.811 0.855 -9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.342 0.683 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.617 0.840 -6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.435 3.065 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.077 2.945 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.661 2.754 -7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.954 4.984 -6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.800 6.320 -6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.168 4.480 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.650 6.034 -7.029 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.403 -2.022 -9.462 1.00 0.00 N ATOM 1128 CA LYS A 75 -5.996 -2.241 -9.753 1.00 0.00 C ATOM 1129 C LYS A 75 -5.503 -1.153 -10.710 1.00 0.00 C ATOM 1130 O LYS A 75 -6.157 -0.858 -11.709 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.770 -3.663 -10.270 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.269 -4.579 -9.152 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.497 -6.050 -9.504 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.750 -6.429 -10.785 1.00 0.00 C ATOM 1135 NZ LYS A 75 -4.050 -7.722 -10.613 1.00 0.00 N ATOM 1136 OXT LYS A 75 -4.354 -0.587 -10.370 1.00 0.00 O ATOM 0 H LYS A 75 -7.981 -2.862 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.402 -2.160 -8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.700 -4.057 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.045 -3.647 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.207 -4.403 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.785 -4.340 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.160 -6.681 -8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.563 -6.236 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.452 -6.496 -11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.031 -5.650 -11.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.548 -7.965 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.366 -7.645 -9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.743 -8.466 -10.394 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.662 -0.526 7.686 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.522 5.659 6.158 1.00 0.00 CE