USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 688 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 34 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.17) USER MOD Set 1.2: A 37 MET CE :methyl 170:sc= 0 (180deg=-0.175) USER MOD Set 2.1: A 33 TYR OH : rot -148:sc= -2.02! USER MOD Set 2.2: A 70 HIS : no HD1:sc= -1.96 K(o=-4,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -4.64! C(o=-4.6!,f=-10!) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.275) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0984 USER MOD Single : A 32 MET CE :methyl -145:sc= 0 (180deg=-0.751) USER MOD Single : A 35 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 36 THR OG1 : rot -61:sc= 0.661 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= -0.0231 (180deg=-0.0387) USER MOD Single : A 51 ASN : amide:sc= -4.05 X(o=-4.1,f=-3.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0113) USER MOD Single : A 71 GLN : amide:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : A 74 TYR OH : rot 37:sc= -0.389 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -103:sc= 0.997 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.531 8.052 8.527 1.00 0.00 N ATOM 2 CA MET A 1 -15.996 7.534 7.242 1.00 0.00 C ATOM 3 C MET A 1 -14.471 7.467 7.266 1.00 0.00 C ATOM 4 O MET A 1 -13.799 8.025 6.399 1.00 0.00 O ATOM 5 CB MET A 1 -16.466 8.456 6.112 1.00 0.00 C ATOM 6 CG MET A 1 -17.860 8.128 5.602 1.00 0.00 C ATOM 7 SD MET A 1 -19.092 9.343 6.110 1.00 0.00 S ATOM 8 CE MET A 1 -19.916 9.662 4.551 1.00 0.00 C ATOM 0 H1 MET A 1 -17.569 8.087 8.482 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.239 7.424 9.303 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.160 9.008 8.697 1.00 0.00 H new ATOM 0 HA MET A 1 -16.367 6.522 7.082 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.450 9.487 6.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.760 8.392 5.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.840 8.071 4.514 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.154 7.144 5.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.707 10.397 4.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.195 10.048 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.348 8.736 4.172 1.00 0.00 H new ATOM 20 N ASP A 2 -13.931 6.778 8.267 1.00 0.00 N ATOM 21 CA ASP A 2 -12.486 6.636 8.405 1.00 0.00 C ATOM 22 C ASP A 2 -12.013 5.304 7.836 1.00 0.00 C ATOM 23 O ASP A 2 -11.080 4.690 8.358 1.00 0.00 O ATOM 24 CB ASP A 2 -12.080 6.751 9.875 1.00 0.00 C ATOM 25 CG ASP A 2 -12.808 5.755 10.756 1.00 0.00 C ATOM 26 OD1 ASP A 2 -13.279 4.726 10.224 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.906 6.001 11.976 1.00 0.00 O ATOM 0 H ASP A 2 -14.472 6.310 8.994 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.011 7.439 7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.005 6.594 9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.285 7.762 10.228 1.00 0.00 H new ATOM 32 N ARG A 3 -12.661 4.860 6.764 1.00 0.00 N ATOM 33 CA ARG A 3 -12.305 3.596 6.125 1.00 0.00 C ATOM 34 C ARG A 3 -13.154 3.361 4.880 1.00 0.00 C ATOM 35 O ARG A 3 -14.172 2.670 4.932 1.00 0.00 O ATOM 36 CB ARG A 3 -12.484 2.436 7.106 1.00 0.00 C ATOM 37 CG ARG A 3 -11.424 1.355 6.968 1.00 0.00 C ATOM 38 CD ARG A 3 -12.010 -0.034 7.171 1.00 0.00 C ATOM 39 NE ARG A 3 -11.590 -0.964 6.126 1.00 0.00 N ATOM 40 CZ ARG A 3 -12.213 -2.110 5.858 1.00 0.00 C ATOM 41 NH1 ARG A 3 -13.283 -2.470 6.557 1.00 0.00 N ATOM 42 NH2 ARG A 3 -11.766 -2.897 4.889 1.00 0.00 N ATOM 0 H ARG A 3 -13.434 5.355 6.319 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.258 3.649 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.464 2.825 8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.467 1.991 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.967 1.417 5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.632 1.526 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.702 -0.419 8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.098 0.030 7.183 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.771 -0.721 5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.631 -1.868 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.757 -3.349 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.945 -2.625 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.243 -3.775 4.684 1.00 0.00 H new ATOM 56 N LYS A 4 -12.729 3.938 3.761 1.00 0.00 N ATOM 57 CA LYS A 4 -13.450 3.790 2.501 1.00 0.00 C ATOM 58 C LYS A 4 -12.559 3.171 1.430 1.00 0.00 C ATOM 59 O LYS A 4 -12.882 2.124 0.868 1.00 0.00 O ATOM 60 CB LYS A 4 -13.971 5.147 2.025 1.00 0.00 C ATOM 61 CG LYS A 4 -15.190 5.049 1.124 1.00 0.00 C ATOM 62 CD LYS A 4 -14.850 4.397 -0.208 1.00 0.00 C ATOM 63 CE LYS A 4 -15.295 2.942 -0.248 1.00 0.00 C ATOM 64 NZ LYS A 4 -16.528 2.762 -1.063 1.00 0.00 N ATOM 0 H LYS A 4 -11.889 4.513 3.700 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.295 3.123 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.220 5.756 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.175 5.665 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.968 4.472 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.595 6.046 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.331 4.948 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.775 4.454 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.494 2.328 -0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.476 2.589 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.799 1.758 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.299 3.328 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.348 3.075 -2.038 1.00 0.00 H new ATOM 78 N VAL A 5 -11.436 3.826 1.149 1.00 0.00 N ATOM 79 CA VAL A 5 -10.501 3.336 0.143 1.00 0.00 C ATOM 80 C VAL A 5 -9.859 2.023 0.579 1.00 0.00 C ATOM 81 O VAL A 5 -9.442 1.220 -0.256 1.00 0.00 O ATOM 82 CB VAL A 5 -9.391 4.367 -0.153 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.670 4.015 -1.446 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.968 5.774 -0.219 1.00 0.00 C ATOM 0 H VAL A 5 -11.153 4.695 1.603 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.079 3.170 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.666 4.338 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.891 4.752 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.220 3.026 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.382 4.014 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.169 6.485 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.715 5.824 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.433 6.022 0.735 1.00 0.00 H new ATOM 94 N ALA A 6 -9.784 1.809 1.890 1.00 0.00 N ATOM 95 CA ALA A 6 -9.193 0.588 2.433 1.00 0.00 C ATOM 96 C ALA A 6 -9.858 -0.649 1.844 1.00 0.00 C ATOM 97 O ALA A 6 -9.186 -1.594 1.431 1.00 0.00 O ATOM 98 CB ALA A 6 -9.301 0.579 3.949 1.00 0.00 C ATOM 0 H ALA A 6 -10.124 2.463 2.595 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.139 0.568 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.857 -0.336 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.773 1.441 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.351 0.626 4.239 1.00 0.00 H new ATOM 104 N ARG A 7 -11.184 -0.630 1.802 1.00 0.00 N ATOM 105 CA ARG A 7 -11.947 -1.747 1.255 1.00 0.00 C ATOM 106 C ARG A 7 -11.634 -1.933 -0.222 1.00 0.00 C ATOM 107 O ARG A 7 -11.390 -3.048 -0.686 1.00 0.00 O ATOM 108 CB ARG A 7 -13.446 -1.513 1.449 1.00 0.00 C ATOM 109 CG ARG A 7 -14.238 -2.789 1.683 1.00 0.00 C ATOM 110 CD ARG A 7 -15.652 -2.493 2.158 1.00 0.00 C ATOM 111 NE ARG A 7 -16.657 -2.943 1.199 1.00 0.00 N ATOM 112 CZ ARG A 7 -17.026 -4.214 1.052 1.00 0.00 C ATOM 113 NH1 ARG A 7 -16.476 -5.162 1.800 1.00 0.00 N ATOM 114 NH2 ARG A 7 -17.950 -4.536 0.156 1.00 0.00 N ATOM 0 H ARG A 7 -11.754 0.145 2.140 1.00 0.00 H new ATOM 0 HA ARG A 7 -11.661 -2.653 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -13.594 -0.844 2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -13.842 -1.006 0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.278 -3.367 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -13.727 -3.404 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -15.822 -2.982 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -15.762 -1.421 2.322 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.103 -2.242 0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -15.767 -4.919 2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -16.762 -6.134 1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.377 -3.810 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -18.233 -5.509 0.043 1.00 0.00 H new ATOM 128 N GLU A 8 -11.635 -0.827 -0.957 1.00 0.00 N ATOM 129 CA GLU A 8 -11.344 -0.855 -2.383 1.00 0.00 C ATOM 130 C GLU A 8 -9.923 -1.349 -2.628 1.00 0.00 C ATOM 131 O GLU A 8 -9.658 -2.050 -3.603 1.00 0.00 O ATOM 132 CB GLU A 8 -11.531 0.538 -2.991 1.00 0.00 C ATOM 133 CG GLU A 8 -12.553 0.578 -4.117 1.00 0.00 C ATOM 134 CD GLU A 8 -12.289 1.700 -5.101 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.191 1.725 -5.695 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.184 2.554 -5.281 1.00 0.00 O ATOM 0 H GLU A 8 -11.835 0.102 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.039 -1.544 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.839 1.229 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.572 0.892 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.543 -0.375 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.550 0.697 -3.694 1.00 0.00 H new ATOM 143 N PHE A 9 -9.014 -0.982 -1.728 1.00 0.00 N ATOM 144 CA PHE A 9 -7.619 -1.390 -1.840 1.00 0.00 C ATOM 145 C PHE A 9 -7.504 -2.910 -1.815 1.00 0.00 C ATOM 146 O PHE A 9 -6.850 -3.508 -2.669 1.00 0.00 O ATOM 147 CB PHE A 9 -6.795 -0.784 -0.702 1.00 0.00 C ATOM 148 CG PHE A 9 -5.342 -1.158 -0.746 1.00 0.00 C ATOM 149 CD1 PHE A 9 -4.574 -0.880 -1.865 1.00 0.00 C ATOM 150 CD2 PHE A 9 -4.743 -1.790 0.332 1.00 0.00 C ATOM 151 CE1 PHE A 9 -3.236 -1.223 -1.908 1.00 0.00 C ATOM 152 CE2 PHE A 9 -3.405 -2.136 0.295 1.00 0.00 C ATOM 153 CZ PHE A 9 -2.651 -1.853 -0.827 1.00 0.00 C ATOM 0 H PHE A 9 -9.220 -0.403 -0.914 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.229 -1.025 -2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.883 0.302 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.216 -1.106 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.026 -0.389 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.328 -2.015 1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.648 -0.999 -2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.950 -2.627 1.142 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.606 -2.124 -0.859 1.00 0.00 H new ATOM 163 N ARG A 10 -8.149 -3.530 -0.831 1.00 0.00 N ATOM 164 CA ARG A 10 -8.123 -4.982 -0.697 1.00 0.00 C ATOM 165 C ARG A 10 -8.663 -5.648 -1.960 1.00 0.00 C ATOM 166 O ARG A 10 -8.076 -6.600 -2.472 1.00 0.00 O ATOM 167 CB ARG A 10 -8.946 -5.418 0.518 1.00 0.00 C ATOM 168 CG ARG A 10 -8.282 -6.512 1.340 1.00 0.00 C ATOM 169 CD ARG A 10 -8.654 -7.895 0.832 1.00 0.00 C ATOM 170 NE ARG A 10 -7.940 -8.951 1.545 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.638 -9.188 1.408 1.00 0.00 C ATOM 172 NH1 ARG A 10 -5.904 -8.450 0.586 1.00 0.00 N ATOM 173 NH2 ARG A 10 -6.068 -10.169 2.096 1.00 0.00 N ATOM 0 H ARG A 10 -8.695 -3.050 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.089 -5.294 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.124 -4.552 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.921 -5.770 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.200 -6.389 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.579 -6.415 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.728 -8.045 0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.431 -7.962 -0.233 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.471 -9.541 2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.337 -7.695 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.906 -8.637 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.628 -10.740 2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.070 -10.352 1.992 1.00 0.00 H new ATOM 187 N HIS A 11 -9.783 -5.134 -2.459 1.00 0.00 N ATOM 188 CA HIS A 11 -10.399 -5.674 -3.665 1.00 0.00 C ATOM 189 C HIS A 11 -9.501 -5.448 -4.878 1.00 0.00 C ATOM 190 O HIS A 11 -9.414 -6.297 -5.765 1.00 0.00 O ATOM 191 CB HIS A 11 -11.768 -5.031 -3.897 1.00 0.00 C ATOM 192 CG HIS A 11 -12.914 -5.977 -3.707 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.181 -7.017 -4.571 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.864 -6.037 -2.743 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.245 -7.675 -4.149 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.678 -7.101 -3.042 1.00 0.00 N ATOM 0 H HIS A 11 -10.282 -4.345 -2.047 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.532 -6.747 -3.529 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.885 -4.189 -3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.804 -4.628 -4.909 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.962 -5.372 -1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.686 -8.537 -4.628 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.487 -7.400 -2.497 1.00 0.00 H new ATOM 205 N LYS A 12 -8.835 -4.299 -4.906 1.00 0.00 N ATOM 206 CA LYS A 12 -7.942 -3.959 -6.008 1.00 0.00 C ATOM 207 C LYS A 12 -6.765 -4.927 -6.071 1.00 0.00 C ATOM 208 O LYS A 12 -6.509 -5.542 -7.106 1.00 0.00 O ATOM 209 CB LYS A 12 -7.434 -2.524 -5.855 1.00 0.00 C ATOM 210 CG LYS A 12 -7.653 -1.667 -7.090 1.00 0.00 C ATOM 211 CD LYS A 12 -6.479 -1.766 -8.050 1.00 0.00 C ATOM 212 CE LYS A 12 -6.653 -0.834 -9.239 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.075 0.513 -8.979 1.00 0.00 N ATOM 0 H LYS A 12 -8.896 -3.587 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.504 -4.039 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.935 -2.058 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.369 -2.547 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.566 -1.982 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.795 -0.628 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.556 -1.520 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.381 -2.793 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.175 -1.271 -10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.714 -0.735 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.214 1.118 -9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.549 0.941 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.058 0.422 -8.783 1.00 0.00 H new ATOM 227 N VAL A 13 -6.053 -5.057 -4.956 1.00 0.00 N ATOM 228 CA VAL A 13 -4.900 -5.949 -4.881 1.00 0.00 C ATOM 229 C VAL A 13 -5.264 -7.361 -5.332 1.00 0.00 C ATOM 230 O VAL A 13 -4.557 -7.968 -6.136 1.00 0.00 O ATOM 231 CB VAL A 13 -4.330 -6.011 -3.451 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.047 -6.828 -3.421 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.092 -4.607 -2.910 1.00 0.00 C ATOM 0 H VAL A 13 -6.254 -4.556 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.142 -5.541 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.060 -6.504 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.660 -6.860 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.253 -7.842 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.307 -6.368 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.689 -4.670 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.382 -4.085 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.034 -4.060 -2.892 1.00 0.00 H new ATOM 243 N ASP A 14 -6.372 -7.877 -4.811 1.00 0.00 N ATOM 244 CA ASP A 14 -6.827 -9.216 -5.163 1.00 0.00 C ATOM 245 C ASP A 14 -7.074 -9.328 -6.665 1.00 0.00 C ATOM 246 O ASP A 14 -6.791 -10.359 -7.276 1.00 0.00 O ATOM 247 CB ASP A 14 -8.107 -9.562 -4.398 1.00 0.00 C ATOM 248 CG ASP A 14 -8.366 -11.054 -4.347 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.255 -11.712 -5.403 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.682 -11.565 -3.252 1.00 0.00 O ATOM 0 H ASP A 14 -6.970 -7.389 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.045 -9.923 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.036 -9.174 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.954 -9.065 -4.870 1.00 0.00 H new ATOM 255 N PHE A 15 -7.603 -8.259 -7.252 1.00 0.00 N ATOM 256 CA PHE A 15 -7.889 -8.233 -8.681 1.00 0.00 C ATOM 257 C PHE A 15 -6.599 -8.228 -9.498 1.00 0.00 C ATOM 258 O PHE A 15 -6.497 -8.910 -10.518 1.00 0.00 O ATOM 259 CB PHE A 15 -8.732 -7.005 -9.029 1.00 0.00 C ATOM 260 CG PHE A 15 -9.883 -7.307 -9.946 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.663 -7.868 -11.192 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.185 -7.028 -9.561 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.719 -8.147 -12.040 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.245 -7.305 -10.403 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.012 -7.866 -11.644 1.00 0.00 C ATOM 0 H PHE A 15 -7.842 -7.399 -6.759 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.449 -9.134 -8.930 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.117 -6.566 -8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.093 -6.256 -9.496 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.654 -8.091 -11.506 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.373 -6.589 -8.592 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.533 -8.584 -13.010 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -13.255 -7.083 -10.091 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.839 -8.084 -12.303 1.00 0.00 H new ATOM 275 N LEU A 16 -5.620 -7.453 -9.046 1.00 0.00 N ATOM 276 CA LEU A 16 -4.340 -7.356 -9.739 1.00 0.00 C ATOM 277 C LEU A 16 -3.417 -8.508 -9.358 1.00 0.00 C ATOM 278 O LEU A 16 -3.110 -9.370 -10.180 1.00 0.00 O ATOM 279 CB LEU A 16 -3.663 -6.020 -9.422 1.00 0.00 C ATOM 280 CG LEU A 16 -4.594 -4.806 -9.411 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.107 -3.770 -8.411 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.695 -4.201 -10.803 1.00 0.00 C ATOM 0 H LEU A 16 -5.688 -6.883 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.536 -7.414 -10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.181 -6.097 -8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.875 -5.847 -10.155 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.587 -5.135 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.781 -2.914 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.086 -4.209 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.104 -3.444 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.361 -3.339 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.706 -3.886 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.091 -4.944 -11.495 1.00 0.00 H new ATOM 294 N ILE A 17 -2.980 -8.513 -8.106 1.00 0.00 N ATOM 295 CA ILE A 17 -2.089 -9.556 -7.610 1.00 0.00 C ATOM 296 C ILE A 17 -2.833 -10.869 -7.412 1.00 0.00 C ATOM 297 O ILE A 17 -2.567 -11.856 -8.096 1.00 0.00 O ATOM 298 CB ILE A 17 -1.429 -9.147 -6.278 1.00 0.00 C ATOM 299 CG1 ILE A 17 -0.868 -7.727 -6.373 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.330 -10.133 -5.910 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.192 -7.259 -5.101 1.00 0.00 C ATOM 0 H ILE A 17 -3.228 -7.806 -7.414 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.314 -9.692 -8.365 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.186 -9.164 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.152 -7.682 -7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.678 -7.040 -6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.128 -9.833 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.757 -11.131 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.427 -10.143 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.182 -6.245 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.910 -7.272 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.639 -7.923 -4.865 1.00 0.00 H new ATOM 313 N GLU A 18 -3.767 -10.869 -6.467 1.00 0.00 N ATOM 314 CA GLU A 18 -4.564 -12.058 -6.162 1.00 0.00 C ATOM 315 C GLU A 18 -3.765 -13.075 -5.343 1.00 0.00 C ATOM 316 O GLU A 18 -4.271 -14.148 -5.016 1.00 0.00 O ATOM 317 CB GLU A 18 -5.074 -12.712 -7.449 1.00 0.00 C ATOM 318 CG GLU A 18 -6.448 -13.347 -7.304 1.00 0.00 C ATOM 319 CD GLU A 18 -6.833 -14.186 -8.508 1.00 0.00 C ATOM 320 OE1 GLU A 18 -6.130 -15.179 -8.788 1.00 0.00 O ATOM 321 OE2 GLU A 18 -7.839 -13.849 -9.168 1.00 0.00 O ATOM 0 H GLU A 18 -3.994 -10.056 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.416 -11.734 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.111 -11.961 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.362 -13.474 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.463 -13.972 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.192 -12.564 -7.158 1.00 0.00 H new ATOM 328 N ASN A 19 -2.520 -12.737 -5.015 1.00 0.00 N ATOM 329 CA ASN A 19 -1.668 -13.629 -4.236 1.00 0.00 C ATOM 330 C ASN A 19 -1.726 -13.279 -2.754 1.00 0.00 C ATOM 331 O ASN A 19 -1.338 -12.183 -2.348 1.00 0.00 O ATOM 332 CB ASN A 19 -0.225 -13.553 -4.737 1.00 0.00 C ATOM 333 CG ASN A 19 0.596 -14.758 -4.320 1.00 0.00 C ATOM 334 OD1 ASN A 19 1.184 -14.779 -3.238 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.639 -15.772 -5.177 1.00 0.00 N ATOM 0 H ASN A 19 -2.081 -11.854 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.035 -14.647 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.224 -13.475 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.243 -12.647 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.174 -16.610 -4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.137 -15.713 -6.063 1.00 0.00 H new ATOM 342 N ASP A 20 -2.213 -14.217 -1.947 1.00 0.00 N ATOM 343 CA ASP A 20 -2.320 -14.006 -0.507 1.00 0.00 C ATOM 344 C ASP A 20 -0.957 -13.709 0.106 1.00 0.00 C ATOM 345 O ASP A 20 -0.849 -12.937 1.059 1.00 0.00 O ATOM 346 CB ASP A 20 -2.938 -15.235 0.164 1.00 0.00 C ATOM 347 CG ASP A 20 -2.112 -16.487 -0.052 1.00 0.00 C ATOM 348 OD1 ASP A 20 -1.766 -16.778 -1.216 1.00 0.00 O ATOM 349 OD2 ASP A 20 -1.812 -17.179 0.944 1.00 0.00 O ATOM 0 H ASP A 20 -2.539 -15.129 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.966 -13.144 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.039 -15.050 1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.943 -15.393 -0.228 1.00 0.00 H new ATOM 354 N ALA A 21 0.083 -14.327 -0.446 1.00 0.00 N ATOM 355 CA ALA A 21 1.440 -14.126 0.049 1.00 0.00 C ATOM 356 C ALA A 21 1.882 -12.682 -0.137 1.00 0.00 C ATOM 357 O ALA A 21 2.239 -12.000 0.824 1.00 0.00 O ATOM 358 CB ALA A 21 2.403 -15.073 -0.652 1.00 0.00 C ATOM 0 H ALA A 21 0.012 -14.970 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 21 1.448 -14.345 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.412 -14.912 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.104 -16.104 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.384 -14.883 -1.725 1.00 0.00 H new ATOM 364 N GLU A 22 1.849 -12.221 -1.379 1.00 0.00 N ATOM 365 CA GLU A 22 2.241 -10.853 -1.700 1.00 0.00 C ATOM 366 C GLU A 22 1.389 -9.857 -0.923 1.00 0.00 C ATOM 367 O GLU A 22 1.871 -8.805 -0.500 1.00 0.00 O ATOM 368 CB GLU A 22 2.106 -10.601 -3.203 1.00 0.00 C ATOM 369 CG GLU A 22 3.227 -11.213 -4.026 1.00 0.00 C ATOM 370 CD GLU A 22 3.420 -12.690 -3.746 1.00 0.00 C ATOM 371 OE1 GLU A 22 3.966 -13.025 -2.675 1.00 0.00 O ATOM 372 OE2 GLU A 22 3.025 -13.512 -4.600 1.00 0.00 O ATOM 0 H GLU A 22 1.554 -12.774 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 22 3.284 -10.717 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.153 -11.004 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.081 -9.526 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.012 -11.073 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.156 -10.683 -3.817 1.00 0.00 H new ATOM 379 N LYS A 23 0.119 -10.200 -0.737 1.00 0.00 N ATOM 380 CA LYS A 23 -0.806 -9.343 -0.006 1.00 0.00 C ATOM 381 C LYS A 23 -0.432 -9.283 1.471 1.00 0.00 C ATOM 382 O LYS A 23 -0.409 -8.211 2.072 1.00 0.00 O ATOM 383 CB LYS A 23 -2.239 -9.851 -0.164 1.00 0.00 C ATOM 384 CG LYS A 23 -2.926 -9.357 -1.426 1.00 0.00 C ATOM 385 CD LYS A 23 -4.329 -9.929 -1.562 1.00 0.00 C ATOM 386 CE LYS A 23 -4.376 -11.061 -2.578 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.126 -12.239 -2.061 1.00 0.00 N ATOM 0 H LYS A 23 -0.293 -11.066 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.740 -8.337 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.230 -10.941 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.823 -9.540 0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.977 -8.268 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.333 -9.636 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.669 -10.295 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.017 -9.139 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.845 -10.706 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.360 -11.361 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.887 -13.078 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.868 -12.406 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.148 -12.057 -2.127 1.00 0.00 H new ATOM 401 N ASP A 24 -0.135 -10.442 2.050 1.00 0.00 N ATOM 402 CA ASP A 24 0.243 -10.515 3.456 1.00 0.00 C ATOM 403 C ASP A 24 1.492 -9.681 3.719 1.00 0.00 C ATOM 404 O ASP A 24 1.665 -9.125 4.803 1.00 0.00 O ATOM 405 CB ASP A 24 0.486 -11.967 3.871 1.00 0.00 C ATOM 406 CG ASP A 24 -0.019 -12.260 5.270 1.00 0.00 C ATOM 407 OD1 ASP A 24 0.684 -11.911 6.240 1.00 0.00 O ATOM 408 OD2 ASP A 24 -1.118 -12.842 5.395 1.00 0.00 O ATOM 0 H ASP A 24 -0.149 -11.341 1.568 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.577 -10.113 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.008 -12.632 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.553 -12.183 3.820 1.00 0.00 H new ATOM 413 N TYR A 25 2.360 -9.596 2.715 1.00 0.00 N ATOM 414 CA TYR A 25 3.591 -8.826 2.835 1.00 0.00 C ATOM 415 C TYR A 25 3.289 -7.331 2.888 1.00 0.00 C ATOM 416 O TYR A 25 3.756 -6.626 3.784 1.00 0.00 O ATOM 417 CB TYR A 25 4.526 -9.132 1.661 1.00 0.00 C ATOM 418 CG TYR A 25 5.888 -9.631 2.088 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.014 -10.654 3.019 1.00 0.00 C ATOM 420 CD2 TYR A 25 7.048 -9.077 1.559 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.257 -11.111 3.413 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.295 -9.532 1.946 1.00 0.00 C ATOM 423 CZ TYR A 25 8.394 -10.547 2.874 1.00 0.00 C ATOM 424 OH TYR A 25 9.634 -11.001 3.262 1.00 0.00 O ATOM 0 H TYR A 25 2.233 -10.051 1.811 1.00 0.00 H new ATOM 0 HA TYR A 25 4.084 -9.113 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.059 -9.880 1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.650 -8.230 1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.126 -11.100 3.442 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.974 -8.279 0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.338 -11.906 4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.187 -9.094 1.523 1.00 0.00 H new ATOM 0 HH TYR A 25 10.329 -10.499 2.788 1.00 0.00 H new ATOM 434 N LEU A 26 2.508 -6.853 1.925 1.00 0.00 N ATOM 435 CA LEU A 26 2.149 -5.440 1.868 1.00 0.00 C ATOM 436 C LEU A 26 1.250 -5.061 3.043 1.00 0.00 C ATOM 437 O LEU A 26 1.296 -3.932 3.532 1.00 0.00 O ATOM 438 CB LEU A 26 1.463 -5.115 0.534 1.00 0.00 C ATOM 439 CG LEU A 26 -0.044 -5.382 0.480 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.815 -4.188 1.017 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.474 -5.699 -0.945 1.00 0.00 C ATOM 0 H LEU A 26 2.112 -7.421 1.176 1.00 0.00 H new ATOM 0 HA LEU A 26 3.063 -4.851 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.636 -4.063 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.945 -5.696 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.267 -6.244 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.884 -4.395 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.525 -4.003 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.590 -3.308 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.547 -5.887 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.239 -4.854 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.056 -6.584 -1.297 1.00 0.00 H new ATOM 453 N TYR A 27 0.436 -6.011 3.495 1.00 0.00 N ATOM 454 CA TYR A 27 -0.465 -5.771 4.617 1.00 0.00 C ATOM 455 C TYR A 27 0.325 -5.573 5.906 1.00 0.00 C ATOM 456 O TYR A 27 -0.018 -4.729 6.734 1.00 0.00 O ATOM 457 CB TYR A 27 -1.447 -6.935 4.774 1.00 0.00 C ATOM 458 CG TYR A 27 -2.889 -6.547 4.537 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.410 -6.490 3.250 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.730 -6.239 5.599 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.728 -6.136 3.029 1.00 0.00 C ATOM 462 CE2 TYR A 27 -5.048 -5.885 5.386 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.542 -5.835 4.099 1.00 0.00 C ATOM 464 OH TYR A 27 -6.855 -5.483 3.883 1.00 0.00 O ATOM 0 H TYR A 27 0.382 -6.951 3.103 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.030 -4.862 4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.173 -7.727 4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.351 -7.347 5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.775 -6.726 2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.347 -6.277 6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.118 -6.096 2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.689 -5.649 6.223 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.291 -5.303 4.742 1.00 0.00 H new ATOM 474 N ASP A 28 1.386 -6.354 6.062 1.00 0.00 N ATOM 475 CA ASP A 28 2.233 -6.266 7.246 1.00 0.00 C ATOM 476 C ASP A 28 2.993 -4.946 7.265 1.00 0.00 C ATOM 477 O ASP A 28 3.138 -4.315 8.311 1.00 0.00 O ATOM 478 CB ASP A 28 3.216 -7.436 7.285 1.00 0.00 C ATOM 479 CG ASP A 28 3.788 -7.664 8.670 1.00 0.00 C ATOM 480 OD1 ASP A 28 3.181 -8.437 9.443 1.00 0.00 O ATOM 481 OD2 ASP A 28 4.839 -7.069 8.985 1.00 0.00 O ATOM 0 H ASP A 28 1.681 -7.056 5.384 1.00 0.00 H new ATOM 0 HA ASP A 28 1.594 -6.313 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.712 -8.342 6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.030 -7.247 6.585 1.00 0.00 H new ATOM 486 N VAL A 29 3.473 -4.529 6.096 1.00 0.00 N ATOM 487 CA VAL A 29 4.214 -3.281 5.978 1.00 0.00 C ATOM 488 C VAL A 29 3.355 -2.097 6.412 1.00 0.00 C ATOM 489 O VAL A 29 3.809 -1.226 7.153 1.00 0.00 O ATOM 490 CB VAL A 29 4.700 -3.048 4.533 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.596 -1.820 4.461 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.427 -4.277 4.009 1.00 0.00 C ATOM 0 H VAL A 29 3.361 -5.038 5.219 1.00 0.00 H new ATOM 0 HA VAL A 29 5.081 -3.361 6.633 1.00 0.00 H new ATOM 0 HB VAL A 29 3.829 -2.872 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.929 -1.672 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.039 -0.943 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.463 -1.964 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.762 -4.094 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.289 -4.487 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.751 -5.132 4.021 1.00 0.00 H new ATOM 502 N LEU A 30 2.110 -2.075 5.944 1.00 0.00 N ATOM 503 CA LEU A 30 1.186 -0.999 6.286 1.00 0.00 C ATOM 504 C LEU A 30 0.912 -0.979 7.787 1.00 0.00 C ATOM 505 O LEU A 30 0.972 0.073 8.426 1.00 0.00 O ATOM 506 CB LEU A 30 -0.127 -1.163 5.517 1.00 0.00 C ATOM 507 CG LEU A 30 -0.156 -0.505 4.138 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.451 -0.841 3.413 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.011 1.001 4.263 1.00 0.00 C ATOM 0 H LEU A 30 1.719 -2.788 5.329 1.00 0.00 H new ATOM 0 HA LEU A 30 1.646 -0.052 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.331 -2.227 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.936 -0.748 6.118 1.00 0.00 H new ATOM 0 HG LEU A 30 0.676 -0.896 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.454 -0.364 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.530 -1.921 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.298 -0.479 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.012 1.453 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.800 1.408 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.965 1.223 4.741 1.00 0.00 H new ATOM 521 N ARG A 31 0.614 -2.149 8.347 1.00 0.00 N ATOM 522 CA ARG A 31 0.334 -2.266 9.774 1.00 0.00 C ATOM 523 C ARG A 31 1.492 -1.715 10.600 1.00 0.00 C ATOM 524 O ARG A 31 1.286 -1.082 11.635 1.00 0.00 O ATOM 525 CB ARG A 31 0.074 -3.726 10.147 1.00 0.00 C ATOM 526 CG ARG A 31 -0.956 -3.898 11.254 1.00 0.00 C ATOM 527 CD ARG A 31 -2.291 -4.381 10.707 1.00 0.00 C ATOM 528 NE ARG A 31 -3.408 -3.579 11.204 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.616 -3.564 10.643 1.00 0.00 C ATOM 530 NH1 ARG A 31 -4.867 -4.303 9.572 1.00 0.00 N ATOM 531 NH2 ARG A 31 -5.576 -2.806 11.159 1.00 0.00 N ATOM 0 H ARG A 31 0.560 -3.029 7.834 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.558 -1.680 9.994 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.264 -4.264 9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.012 -4.185 10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.584 -4.611 11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.096 -2.949 11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.272 -4.341 9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.441 -5.424 10.986 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.253 -2.998 12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.133 -4.888 9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.794 -4.287 9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.388 -2.236 11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.502 -2.793 10.731 1.00 0.00 H new ATOM 545 N MET A 32 2.710 -1.960 10.130 1.00 0.00 N ATOM 546 CA MET A 32 3.904 -1.487 10.818 1.00 0.00 C ATOM 547 C MET A 32 4.155 -0.015 10.507 1.00 0.00 C ATOM 548 O MET A 32 4.680 0.726 11.337 1.00 0.00 O ATOM 549 CB MET A 32 5.119 -2.321 10.410 1.00 0.00 C ATOM 550 CG MET A 32 5.185 -3.676 11.097 1.00 0.00 C ATOM 551 SD MET A 32 6.877 -4.193 11.450 1.00 0.00 S ATOM 552 CE MET A 32 7.217 -3.247 12.933 1.00 0.00 C ATOM 0 H MET A 32 2.896 -2.484 9.275 1.00 0.00 H new ATOM 0 HA MET A 32 3.745 -1.595 11.891 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.101 -2.471 9.330 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.026 -1.762 10.639 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.620 -3.635 12.028 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.705 -4.423 10.465 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.263 -2.942 12.938 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.581 -2.362 12.954 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.014 -3.861 13.811 1.00 0.00 H new ATOM 562 N TYR A 33 3.772 0.400 9.304 1.00 0.00 N ATOM 563 CA TYR A 33 3.951 1.783 8.880 1.00 0.00 C ATOM 564 C TYR A 33 3.191 2.732 9.800 1.00 0.00 C ATOM 565 O TYR A 33 3.643 3.846 10.070 1.00 0.00 O ATOM 566 CB TYR A 33 3.475 1.959 7.434 1.00 0.00 C ATOM 567 CG TYR A 33 3.476 3.396 6.961 1.00 0.00 C ATOM 568 CD1 TYR A 33 4.660 4.117 6.874 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.292 4.031 6.606 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.664 5.430 6.445 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.290 5.344 6.176 1.00 0.00 C ATOM 572 CZ TYR A 33 3.477 6.038 6.097 1.00 0.00 C ATOM 573 OH TYR A 33 3.479 7.347 5.671 1.00 0.00 O ATOM 0 H TYR A 33 3.336 -0.202 8.606 1.00 0.00 H new ATOM 0 HA TYR A 33 5.013 2.024 8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.114 1.370 6.777 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.466 1.557 7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.592 3.644 7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.359 3.490 6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.593 5.978 6.383 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.362 5.824 5.903 1.00 0.00 H new ATOM 0 HH TYR A 33 2.643 7.780 5.942 1.00 0.00 H new ATOM 583 N HIS A 34 2.036 2.285 10.277 1.00 0.00 N ATOM 584 CA HIS A 34 1.212 3.096 11.167 1.00 0.00 C ATOM 585 C HIS A 34 1.937 3.366 12.482 1.00 0.00 C ATOM 586 O HIS A 34 2.042 4.511 12.921 1.00 0.00 O ATOM 587 CB HIS A 34 -0.121 2.398 11.440 1.00 0.00 C ATOM 588 CG HIS A 34 -1.256 3.347 11.671 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.572 3.022 11.418 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.266 4.619 12.135 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.342 4.053 11.716 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.575 5.034 12.153 1.00 0.00 N ATOM 0 H HIS A 34 1.648 1.366 10.063 1.00 0.00 H new ATOM 0 HA HIS A 34 1.020 4.050 10.676 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.364 1.753 10.596 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.013 1.754 12.313 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.406 5.199 12.435 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.417 4.087 11.619 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.902 5.952 12.455 1.00 0.00 H new ATOM 601 N GLN A 35 2.434 2.304 13.107 1.00 0.00 N ATOM 602 CA GLN A 35 3.148 2.425 14.373 1.00 0.00 C ATOM 603 C GLN A 35 4.545 2.994 14.161 1.00 0.00 C ATOM 604 O GLN A 35 4.935 3.971 14.800 1.00 0.00 O ATOM 605 CB GLN A 35 3.240 1.064 15.064 1.00 0.00 C ATOM 606 CG GLN A 35 2.001 0.706 15.870 1.00 0.00 C ATOM 607 CD GLN A 35 2.110 1.123 17.323 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.425 2.044 17.769 1.00 0.00 O ATOM 609 NE2 GLN A 35 2.976 0.449 18.070 1.00 0.00 N ATOM 0 H GLN A 35 2.355 1.349 12.757 1.00 0.00 H new ATOM 0 HA GLN A 35 2.589 3.112 15.009 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.408 0.294 14.311 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.107 1.059 15.725 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.130 1.185 15.423 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.835 -0.370 15.816 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.523 -0.307 17.659 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.094 0.687 19.055 1.00 0.00 H new ATOM 618 N THR A 36 5.294 2.374 13.258 1.00 0.00 N ATOM 619 CA THR A 36 6.651 2.813 12.955 1.00 0.00 C ATOM 620 C THR A 36 6.655 4.224 12.373 1.00 0.00 C ATOM 621 O THR A 36 7.507 5.043 12.715 1.00 0.00 O ATOM 622 CB THR A 36 7.316 1.844 11.976 1.00 0.00 C ATOM 623 OG1 THR A 36 6.742 1.964 10.686 1.00 0.00 O ATOM 624 CG2 THR A 36 7.201 0.395 12.396 1.00 0.00 C ATOM 0 H THR A 36 4.984 1.564 12.721 1.00 0.00 H new ATOM 0 HA THR A 36 7.216 2.825 13.887 1.00 0.00 H new ATOM 0 HB THR A 36 8.371 2.120 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.787 1.748 10.731 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.693 -0.238 11.658 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.678 0.259 13.367 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.149 0.119 12.466 1.00 0.00 H new ATOM 632 N MET A 37 5.697 4.499 11.494 1.00 0.00 N ATOM 633 CA MET A 37 5.590 5.811 10.864 1.00 0.00 C ATOM 634 C MET A 37 6.813 6.101 9.998 1.00 0.00 C ATOM 635 O MET A 37 7.318 7.223 9.972 1.00 0.00 O ATOM 636 CB MET A 37 5.427 6.899 11.931 1.00 0.00 C ATOM 637 CG MET A 37 4.149 7.711 11.781 1.00 0.00 C ATOM 638 SD MET A 37 3.166 7.755 13.292 1.00 0.00 S ATOM 639 CE MET A 37 1.510 7.632 12.622 1.00 0.00 C ATOM 0 H MET A 37 4.983 3.831 11.201 1.00 0.00 H new ATOM 0 HA MET A 37 4.709 5.810 10.222 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.439 6.434 12.917 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.283 7.572 11.886 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.404 8.730 11.489 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.549 7.289 10.975 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.801 7.468 13.433 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.258 8.556 12.102 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.461 6.797 11.923 1.00 0.00 H new ATOM 649 N ASP A 38 7.283 5.081 9.288 1.00 0.00 N ATOM 650 CA ASP A 38 8.445 5.224 8.417 1.00 0.00 C ATOM 651 C ASP A 38 8.051 5.083 6.951 1.00 0.00 C ATOM 652 O ASP A 38 7.868 3.972 6.451 1.00 0.00 O ATOM 653 CB ASP A 38 9.507 4.183 8.775 1.00 0.00 C ATOM 654 CG ASP A 38 10.235 4.517 10.061 1.00 0.00 C ATOM 655 OD1 ASP A 38 9.596 5.074 10.979 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.446 4.221 10.152 1.00 0.00 O ATOM 0 H ASP A 38 6.877 4.145 9.298 1.00 0.00 H new ATOM 0 HA ASP A 38 8.858 6.222 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.035 3.205 8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.228 4.110 7.961 1.00 0.00 H new ATOM 661 N VAL A 39 7.922 6.214 6.266 1.00 0.00 N ATOM 662 CA VAL A 39 7.550 6.216 4.856 1.00 0.00 C ATOM 663 C VAL A 39 8.653 5.606 3.996 1.00 0.00 C ATOM 664 O VAL A 39 8.381 4.993 2.964 1.00 0.00 O ATOM 665 CB VAL A 39 7.252 7.642 4.352 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.696 7.604 2.938 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.289 8.355 5.293 1.00 0.00 C ATOM 0 H VAL A 39 8.070 7.141 6.664 1.00 0.00 H new ATOM 0 HA VAL A 39 6.646 5.613 4.768 1.00 0.00 H new ATOM 0 HB VAL A 39 8.187 8.202 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.492 8.620 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.424 7.140 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.772 7.025 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.092 9.360 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.354 7.798 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.732 8.418 6.287 1.00 0.00 H new ATOM 677 N ALA A 40 9.897 5.779 4.429 1.00 0.00 N ATOM 678 CA ALA A 40 11.040 5.246 3.698 1.00 0.00 C ATOM 679 C ALA A 40 11.006 3.722 3.662 1.00 0.00 C ATOM 680 O ALA A 40 11.300 3.109 2.635 1.00 0.00 O ATOM 681 CB ALA A 40 12.338 5.733 4.323 1.00 0.00 C ATOM 0 H ALA A 40 10.139 6.284 5.282 1.00 0.00 H new ATOM 0 HA ALA A 40 10.986 5.608 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.184 5.328 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.371 6.822 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.391 5.399 5.359 1.00 0.00 H new ATOM 687 N VAL A 41 10.648 3.116 4.789 1.00 0.00 N ATOM 688 CA VAL A 41 10.576 1.663 4.885 1.00 0.00 C ATOM 689 C VAL A 41 9.362 1.124 4.136 1.00 0.00 C ATOM 690 O VAL A 41 9.421 0.056 3.526 1.00 0.00 O ATOM 691 CB VAL A 41 10.510 1.197 6.352 1.00 0.00 C ATOM 692 CG1 VAL A 41 10.604 -0.320 6.438 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.610 1.854 7.171 1.00 0.00 C ATOM 0 H VAL A 41 10.403 3.608 5.648 1.00 0.00 H new ATOM 0 HA VAL A 41 11.485 1.271 4.430 1.00 0.00 H new ATOM 0 HB VAL A 41 9.549 1.501 6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.556 -0.629 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.776 -0.768 5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.548 -0.651 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.547 1.513 8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.582 1.584 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.490 2.937 7.139 1.00 0.00 H new ATOM 703 N LEU A 42 8.265 1.868 4.189 1.00 0.00 N ATOM 704 CA LEU A 42 7.035 1.467 3.517 1.00 0.00 C ATOM 705 C LEU A 42 7.226 1.439 2.004 1.00 0.00 C ATOM 706 O LEU A 42 6.757 0.524 1.327 1.00 0.00 O ATOM 707 CB LEU A 42 5.896 2.421 3.882 1.00 0.00 C ATOM 708 CG LEU A 42 4.522 2.027 3.337 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.808 1.099 4.308 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.682 3.266 3.065 1.00 0.00 C ATOM 0 H LEU A 42 8.201 2.754 4.691 1.00 0.00 H new ATOM 0 HA LEU A 42 6.779 0.462 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.833 2.489 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.144 3.417 3.514 1.00 0.00 H new ATOM 0 HG LEU A 42 4.664 1.495 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.832 0.830 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.402 0.197 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.677 1.605 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.708 2.967 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.548 3.826 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.187 3.894 2.331 1.00 0.00 H new ATOM 722 N VAL A 43 7.917 2.446 1.480 1.00 0.00 N ATOM 723 CA VAL A 43 8.170 2.535 0.047 1.00 0.00 C ATOM 724 C VAL A 43 9.104 1.421 -0.417 1.00 0.00 C ATOM 725 O VAL A 43 8.811 0.714 -1.381 1.00 0.00 O ATOM 726 CB VAL A 43 8.786 3.897 -0.331 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.917 4.025 -1.841 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.954 5.035 0.239 1.00 0.00 C ATOM 0 H VAL A 43 8.312 3.212 2.026 1.00 0.00 H new ATOM 0 HA VAL A 43 7.207 2.429 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 43 9.785 3.956 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.354 4.993 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.560 3.230 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.932 3.944 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.404 5.989 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.942 4.981 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.919 4.952 1.325 1.00 0.00 H new ATOM 738 N GLY A 44 10.228 1.270 0.277 1.00 0.00 N ATOM 739 CA GLY A 44 11.187 0.241 -0.079 1.00 0.00 C ATOM 740 C GLY A 44 10.590 -1.152 -0.028 1.00 0.00 C ATOM 741 O GLY A 44 10.768 -1.945 -0.953 1.00 0.00 O ATOM 0 H GLY A 44 10.491 1.842 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.566 0.434 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.039 0.293 0.599 1.00 0.00 H new ATOM 745 N ASP A 45 9.877 -1.448 1.054 1.00 0.00 N ATOM 746 CA ASP A 45 9.251 -2.754 1.222 1.00 0.00 C ATOM 747 C ASP A 45 8.230 -3.014 0.120 1.00 0.00 C ATOM 748 O ASP A 45 8.184 -4.102 -0.454 1.00 0.00 O ATOM 749 CB ASP A 45 8.576 -2.845 2.592 1.00 0.00 C ATOM 750 CG ASP A 45 9.498 -3.409 3.656 1.00 0.00 C ATOM 751 OD1 ASP A 45 9.940 -4.566 3.506 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.777 -2.692 4.640 1.00 0.00 O ATOM 0 H ASP A 45 9.719 -0.801 1.827 1.00 0.00 H new ATOM 0 HA ASP A 45 10.029 -3.514 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.240 -1.853 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.688 -3.472 2.515 1.00 0.00 H new ATOM 757 N LEU A 46 7.411 -2.006 -0.170 1.00 0.00 N ATOM 758 CA LEU A 46 6.389 -2.125 -1.202 1.00 0.00 C ATOM 759 C LEU A 46 7.019 -2.421 -2.560 1.00 0.00 C ATOM 760 O LEU A 46 6.506 -3.235 -3.328 1.00 0.00 O ATOM 761 CB LEU A 46 5.562 -0.840 -1.281 1.00 0.00 C ATOM 762 CG LEU A 46 4.295 -0.831 -0.423 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.696 0.565 -0.371 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.281 -1.829 -0.963 1.00 0.00 C ATOM 0 H LEU A 46 7.436 -1.099 0.296 1.00 0.00 H new ATOM 0 HA LEU A 46 5.734 -2.955 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.191 -0.002 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.280 -0.671 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 46 4.563 -1.127 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.796 0.552 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.420 1.256 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.442 0.890 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.386 -1.810 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.018 -1.563 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.712 -2.830 -0.948 1.00 0.00 H new ATOM 776 N LYS A 47 8.133 -1.756 -2.848 1.00 0.00 N ATOM 777 CA LYS A 47 8.831 -1.949 -4.114 1.00 0.00 C ATOM 778 C LYS A 47 9.431 -3.349 -4.196 1.00 0.00 C ATOM 779 O LYS A 47 9.341 -4.013 -5.229 1.00 0.00 O ATOM 780 CB LYS A 47 9.933 -0.901 -4.278 1.00 0.00 C ATOM 781 CG LYS A 47 10.210 -0.529 -5.725 1.00 0.00 C ATOM 782 CD LYS A 47 9.396 0.680 -6.156 1.00 0.00 C ATOM 783 CE LYS A 47 10.216 1.958 -6.087 1.00 0.00 C ATOM 784 NZ LYS A 47 10.224 2.539 -4.716 1.00 0.00 N ATOM 0 H LYS A 47 8.571 -1.080 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 47 8.107 -1.835 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.653 -0.003 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.851 -1.278 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.272 -0.317 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.976 -1.375 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.035 0.533 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.518 0.775 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.239 1.750 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.811 2.688 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.736 3.444 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.246 2.698 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.695 1.881 -4.063 1.00 0.00 H new ATOM 798 N LEU A 48 10.042 -3.791 -3.099 1.00 0.00 N ATOM 799 CA LEU A 48 10.658 -5.113 -3.041 1.00 0.00 C ATOM 800 C LEU A 48 9.664 -6.199 -3.438 1.00 0.00 C ATOM 801 O LEU A 48 9.937 -7.012 -4.321 1.00 0.00 O ATOM 802 CB LEU A 48 11.194 -5.386 -1.634 1.00 0.00 C ATOM 803 CG LEU A 48 12.396 -4.535 -1.223 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.530 -4.500 0.291 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.670 -5.068 -1.862 1.00 0.00 C ATOM 0 H LEU A 48 10.123 -3.251 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 48 11.486 -5.130 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.390 -5.222 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.472 -6.438 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 48 12.236 -3.517 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.390 -3.890 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.627 -4.071 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.668 -5.513 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.515 -4.450 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.837 -6.095 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.572 -5.041 -2.947 1.00 0.00 H new ATOM 817 N VAL A 49 8.506 -6.204 -2.783 1.00 0.00 N ATOM 818 CA VAL A 49 7.473 -7.190 -3.073 1.00 0.00 C ATOM 819 C VAL A 49 6.876 -6.947 -4.455 1.00 0.00 C ATOM 820 O VAL A 49 6.703 -7.874 -5.246 1.00 0.00 O ATOM 821 CB VAL A 49 6.356 -7.163 -2.005 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.335 -6.063 -2.275 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.674 -8.520 -1.910 1.00 0.00 C ATOM 0 H VAL A 49 8.261 -5.538 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 49 7.940 -8.174 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 49 6.826 -6.940 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.568 -6.080 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.834 -5.094 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.872 -6.227 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.891 -8.481 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.234 -8.775 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.408 -9.277 -1.634 1.00 0.00 H new ATOM 833 N ILE A 50 6.566 -5.689 -4.729 1.00 0.00 N ATOM 834 CA ILE A 50 5.990 -5.300 -6.008 1.00 0.00 C ATOM 835 C ILE A 50 6.989 -5.523 -7.146 1.00 0.00 C ATOM 836 O ILE A 50 6.975 -6.566 -7.800 1.00 0.00 O ATOM 837 CB ILE A 50 5.529 -3.821 -5.981 1.00 0.00 C ATOM 838 CG1 ILE A 50 4.326 -3.668 -5.046 1.00 0.00 C ATOM 839 CG2 ILE A 50 5.187 -3.321 -7.379 1.00 0.00 C ATOM 840 CD1 ILE A 50 3.902 -2.231 -4.833 1.00 0.00 C ATOM 0 H ILE A 50 6.705 -4.916 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 50 5.118 -5.929 -6.185 1.00 0.00 H new ATOM 0 HB ILE A 50 6.352 -3.213 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.486 -4.229 -5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.568 -4.113 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.867 -2.280 -7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.067 -3.398 -8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.382 -3.927 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.045 -2.200 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.727 -1.669 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.628 -1.787 -5.790 1.00 0.00 H new ATOM 852 N ASN A 51 7.855 -4.540 -7.370 1.00 0.00 N ATOM 853 CA ASN A 51 8.873 -4.619 -8.418 1.00 0.00 C ATOM 854 C ASN A 51 8.290 -5.135 -9.734 1.00 0.00 C ATOM 855 O ASN A 51 8.931 -5.913 -10.443 1.00 0.00 O ATOM 856 CB ASN A 51 10.032 -5.514 -7.969 1.00 0.00 C ATOM 857 CG ASN A 51 9.653 -6.984 -7.912 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.781 -7.708 -8.899 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.182 -7.428 -6.753 1.00 0.00 N ATOM 0 H ASN A 51 7.874 -3.671 -6.836 1.00 0.00 H new ATOM 0 HA ASN A 51 9.246 -3.609 -8.591 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.870 -5.386 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.373 -5.193 -6.985 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.909 -8.406 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.093 -6.791 -5.961 1.00 0.00 H new ATOM 866 N GLU A 52 7.080 -4.697 -10.059 1.00 0.00 N ATOM 867 CA GLU A 52 6.427 -5.116 -11.293 1.00 0.00 C ATOM 868 C GLU A 52 5.432 -4.061 -11.775 1.00 0.00 C ATOM 869 O GLU A 52 4.521 -3.677 -11.041 1.00 0.00 O ATOM 870 CB GLU A 52 5.712 -6.453 -11.092 1.00 0.00 C ATOM 871 CG GLU A 52 6.655 -7.616 -10.834 1.00 0.00 C ATOM 872 CD GLU A 52 5.975 -8.963 -10.980 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.160 -9.118 -11.913 1.00 0.00 O ATOM 874 OE2 GLU A 52 6.259 -9.863 -10.162 1.00 0.00 O ATOM 0 H GLU A 52 6.532 -4.054 -9.487 1.00 0.00 H new ATOM 0 HA GLU A 52 7.198 -5.235 -12.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.022 -6.363 -10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.113 -6.671 -11.976 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.494 -7.560 -11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.067 -7.528 -9.829 1.00 0.00 H new ATOM 881 N PRO A 53 5.591 -3.575 -13.021 1.00 0.00 N ATOM 882 CA PRO A 53 4.698 -2.561 -13.592 1.00 0.00 C ATOM 883 C PRO A 53 3.228 -2.952 -13.484 1.00 0.00 C ATOM 884 O PRO A 53 2.348 -2.092 -13.464 1.00 0.00 O ATOM 885 CB PRO A 53 5.125 -2.493 -15.060 1.00 0.00 C ATOM 886 CG PRO A 53 6.542 -2.950 -15.065 1.00 0.00 C ATOM 887 CD PRO A 53 6.649 -3.975 -13.969 1.00 0.00 C ATOM 0 HA PRO A 53 4.778 -1.610 -13.066 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.501 -3.133 -15.684 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.035 -1.480 -15.452 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.810 -3.381 -16.030 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.222 -2.117 -14.888 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.489 -4.985 -14.347 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.633 -3.962 -13.501 1.00 0.00 H new ATOM 895 N SER A 54 2.969 -4.253 -13.416 1.00 0.00 N ATOM 896 CA SER A 54 1.604 -4.755 -13.310 1.00 0.00 C ATOM 897 C SER A 54 0.988 -4.383 -11.965 1.00 0.00 C ATOM 898 O SER A 54 -0.224 -4.191 -11.858 1.00 0.00 O ATOM 899 CB SER A 54 1.582 -6.275 -13.493 1.00 0.00 C ATOM 900 OG SER A 54 2.356 -6.919 -12.498 1.00 0.00 O ATOM 0 H SER A 54 3.686 -4.979 -13.432 1.00 0.00 H new ATOM 0 HA SER A 54 1.011 -4.292 -14.099 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.554 -6.635 -13.448 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.967 -6.531 -14.480 1.00 0.00 H new ATOM 0 HG SER A 54 2.324 -7.889 -12.636 1.00 0.00 H new ATOM 906 N ARG A 55 1.829 -4.287 -10.941 1.00 0.00 N ATOM 907 CA ARG A 55 1.367 -3.943 -9.600 1.00 0.00 C ATOM 908 C ARG A 55 1.432 -2.434 -9.354 1.00 0.00 C ATOM 909 O ARG A 55 0.967 -1.949 -8.323 1.00 0.00 O ATOM 910 CB ARG A 55 2.203 -4.669 -8.544 1.00 0.00 C ATOM 911 CG ARG A 55 2.600 -6.085 -8.933 1.00 0.00 C ATOM 912 CD ARG A 55 3.771 -6.577 -8.100 1.00 0.00 C ATOM 913 NE ARG A 55 4.011 -8.009 -8.282 1.00 0.00 N ATOM 914 CZ ARG A 55 3.531 -8.953 -7.475 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.768 -8.633 -6.437 1.00 0.00 N ATOM 916 NH2 ARG A 55 3.812 -10.228 -7.711 1.00 0.00 N ATOM 0 H ARG A 55 2.834 -4.442 -11.013 1.00 0.00 H new ATOM 0 HA ARG A 55 0.327 -4.260 -9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.106 -4.090 -8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.640 -4.704 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.749 -6.753 -8.799 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.865 -6.114 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.668 -6.022 -8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.578 -6.373 -7.047 1.00 0.00 H new ATOM 0 HE ARG A 55 4.581 -8.302 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.544 -7.655 -6.251 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.406 -9.365 -5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.394 -10.483 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.446 -10.953 -7.095 1.00 0.00 H new ATOM 930 N LEU A 56 2.015 -1.698 -10.300 1.00 0.00 N ATOM 931 CA LEU A 56 2.141 -0.246 -10.177 1.00 0.00 C ATOM 932 C LEU A 56 0.833 0.397 -9.712 1.00 0.00 C ATOM 933 O LEU A 56 0.807 1.107 -8.706 1.00 0.00 O ATOM 934 CB LEU A 56 2.573 0.365 -11.511 1.00 0.00 C ATOM 935 CG LEU A 56 4.085 0.478 -11.713 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.405 0.852 -13.151 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.677 1.495 -10.750 1.00 0.00 C ATOM 0 H LEU A 56 2.407 -2.083 -11.159 1.00 0.00 H new ATOM 0 HA LEU A 56 2.902 -0.046 -9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.158 -0.236 -12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.135 1.360 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 56 4.534 -0.493 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.485 0.928 -13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.015 0.086 -13.821 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.944 1.811 -13.389 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.753 1.562 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.223 2.470 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.480 1.183 -9.724 1.00 0.00 H new ATOM 949 N PRO A 57 -0.278 0.162 -10.440 1.00 0.00 N ATOM 950 CA PRO A 57 -1.587 0.726 -10.097 1.00 0.00 C ATOM 951 C PRO A 57 -1.923 0.577 -8.614 1.00 0.00 C ATOM 952 O PRO A 57 -2.716 1.344 -8.070 1.00 0.00 O ATOM 953 CB PRO A 57 -2.577 -0.079 -10.957 1.00 0.00 C ATOM 954 CG PRO A 57 -1.773 -1.157 -11.613 1.00 0.00 C ATOM 955 CD PRO A 57 -0.357 -0.661 -11.653 1.00 0.00 C ATOM 0 HA PRO A 57 -1.619 1.799 -10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.371 -0.504 -10.343 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.055 0.558 -11.701 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.843 -2.090 -11.053 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.142 -1.361 -12.618 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.361 -1.481 -11.636 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.155 -0.079 -12.553 1.00 0.00 H new ATOM 963 N LEU A 58 -1.318 -0.407 -7.962 1.00 0.00 N ATOM 964 CA LEU A 58 -1.563 -0.640 -6.544 1.00 0.00 C ATOM 965 C LEU A 58 -1.094 0.547 -5.704 1.00 0.00 C ATOM 966 O LEU A 58 -1.643 0.819 -4.637 1.00 0.00 O ATOM 967 CB LEU A 58 -0.849 -1.913 -6.084 1.00 0.00 C ATOM 968 CG LEU A 58 -1.588 -2.717 -5.010 1.00 0.00 C ATOM 969 CD1 LEU A 58 -2.246 -3.946 -5.619 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.637 -3.117 -3.892 1.00 0.00 C ATOM 0 H LEU A 58 -0.656 -1.055 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.637 -0.760 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.688 -2.555 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.135 -1.642 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.369 -2.086 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.766 -4.504 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.960 -3.636 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.484 -4.580 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.180 -3.687 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.167 -3.729 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.216 -2.222 -3.435 1.00 0.00 H new ATOM 982 N PHE A 59 -0.073 1.245 -6.192 1.00 0.00 N ATOM 983 CA PHE A 59 0.478 2.397 -5.484 1.00 0.00 C ATOM 984 C PHE A 59 -0.560 3.505 -5.313 1.00 0.00 C ATOM 985 O PHE A 59 -0.767 4.009 -4.204 1.00 0.00 O ATOM 986 CB PHE A 59 1.696 2.943 -6.231 1.00 0.00 C ATOM 987 CG PHE A 59 2.956 2.167 -5.977 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.666 2.341 -4.801 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.430 1.264 -6.914 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.827 1.628 -4.563 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.590 0.547 -6.683 1.00 0.00 C ATOM 992 CZ PHE A 59 5.288 0.730 -5.505 1.00 0.00 C ATOM 0 H PHE A 59 0.390 1.033 -7.076 1.00 0.00 H new ATOM 0 HA PHE A 59 0.778 2.059 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.487 2.940 -7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.854 3.982 -5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.309 3.042 -4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.887 1.118 -7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.372 1.773 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.949 -0.154 -7.422 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.194 0.171 -5.321 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.202 3.892 -6.411 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.204 4.951 -6.368 1.00 0.00 C ATOM 1004 C ASP A 60 -3.270 4.657 -5.320 1.00 0.00 C ATOM 1005 O ASP A 60 -3.735 5.562 -4.637 1.00 0.00 O ATOM 1006 CB ASP A 60 -2.848 5.152 -7.744 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.547 3.909 -8.256 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -4.505 3.451 -7.599 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -3.139 3.398 -9.320 1.00 0.00 O ATOM 0 H ASP A 60 -1.048 3.491 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.697 5.874 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.567 5.969 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.081 5.451 -8.458 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.646 3.389 -5.196 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.652 2.978 -4.216 1.00 0.00 C ATOM 1016 C ALA A 61 -4.097 3.027 -2.795 1.00 0.00 C ATOM 1017 O ALA A 61 -4.842 3.226 -1.836 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.162 1.581 -4.540 1.00 0.00 C ATOM 0 H ALA A 61 -3.271 2.626 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.484 3.680 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.910 1.287 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.610 1.579 -5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.331 0.876 -4.515 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.788 2.834 -2.663 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.141 2.848 -1.354 1.00 0.00 C ATOM 1026 C ILE A 62 -2.134 4.250 -0.746 1.00 0.00 C ATOM 1027 O ILE A 62 -2.266 4.407 0.468 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.691 2.317 -1.436 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.690 0.843 -1.845 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.028 2.497 -0.105 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.530 0.437 -2.641 1.00 0.00 C ATOM 0 H ILE A 62 -2.155 2.666 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.724 2.189 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.158 2.893 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.751 0.226 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.583 0.637 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.046 2.116 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.056 3.556 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.503 1.948 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.463 -0.621 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.581 1.028 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.427 0.610 -2.046 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.974 5.263 -1.590 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.944 6.649 -1.122 1.00 0.00 C ATOM 1045 C ARG A 63 -3.219 7.013 -0.353 1.00 0.00 C ATOM 1046 O ARG A 63 -3.156 7.447 0.795 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.760 7.603 -2.305 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.311 7.983 -2.560 1.00 0.00 C ATOM 1049 CD ARG A 63 0.406 6.931 -3.393 1.00 0.00 C ATOM 1050 NE ARG A 63 0.681 7.401 -4.750 1.00 0.00 N ATOM 1051 CZ ARG A 63 1.611 8.306 -5.046 1.00 0.00 C ATOM 1052 NH1 ARG A 63 2.355 8.843 -4.088 1.00 0.00 N ATOM 1053 NH2 ARG A 63 1.799 8.675 -6.307 1.00 0.00 N ATOM 0 H ARG A 63 -1.863 5.154 -2.598 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.099 6.749 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.168 7.139 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.338 8.509 -2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.271 8.944 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.206 8.109 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.343 6.660 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.203 6.028 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 63 0.128 7.013 -5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.216 8.563 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.066 9.536 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.231 8.265 -7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.511 9.369 -6.535 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.395 6.849 -0.990 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.694 7.165 -0.389 1.00 0.00 C ATOM 1069 C PRO A 64 -5.778 6.852 1.107 1.00 0.00 C ATOM 1070 O PRO A 64 -6.149 7.713 1.905 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.632 6.259 -1.182 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.044 6.240 -2.548 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.552 6.354 -2.367 1.00 0.00 C ATOM 0 HA PRO A 64 -5.922 8.230 -0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.677 5.258 -0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.650 6.648 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.303 5.319 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.427 7.065 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.059 5.391 -2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.114 7.042 -3.090 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.438 5.623 1.483 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.485 5.219 2.885 1.00 0.00 C ATOM 1083 C LEU A 65 -4.462 5.987 3.714 1.00 0.00 C ATOM 1084 O LEU A 65 -4.668 6.231 4.903 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.248 3.715 3.018 1.00 0.00 C ATOM 1086 CG LEU A 65 -3.833 3.252 2.673 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.206 2.521 3.851 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -3.855 2.362 1.440 1.00 0.00 C ATOM 0 H LEU A 65 -5.129 4.893 0.841 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.479 5.455 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.473 3.416 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.953 3.193 2.371 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.225 4.130 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.199 2.199 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.159 3.190 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.811 1.650 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.840 2.040 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.478 1.489 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.262 2.919 0.596 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.356 6.361 3.080 1.00 0.00 N ATOM 1101 CA ILE A 66 -2.296 7.096 3.756 1.00 0.00 C ATOM 1102 C ILE A 66 -2.708 8.550 4.003 1.00 0.00 C ATOM 1103 O ILE A 66 -3.483 9.122 3.236 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.976 7.035 2.944 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.185 6.607 3.845 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.666 8.365 2.265 1.00 0.00 C ATOM 1107 CD1 ILE A 66 0.632 5.181 3.610 1.00 0.00 C ATOM 0 H ILE A 66 -3.171 6.166 2.096 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.125 6.622 4.723 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.106 6.291 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.029 7.277 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.113 6.720 4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.266 8.280 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.476 8.622 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.567 9.145 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.457 4.943 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.199 4.503 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.960 5.068 2.577 1.00 0.00 H new ATOM 1119 N PRO A 67 -2.194 9.169 5.082 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.516 10.560 5.427 1.00 0.00 C ATOM 1121 C PRO A 67 -2.236 11.527 4.281 1.00 0.00 C ATOM 1122 O PRO A 67 -1.422 11.244 3.402 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.596 10.858 6.615 1.00 0.00 C ATOM 1124 CG PRO A 67 -1.294 9.526 7.205 1.00 0.00 C ATOM 1125 CD PRO A 67 -1.265 8.562 6.053 1.00 0.00 C ATOM 0 HA PRO A 67 -3.576 10.685 5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.686 11.364 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.084 11.510 7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.338 9.538 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.052 9.241 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.262 8.458 5.640 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.590 7.566 6.353 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.919 12.669 4.298 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.748 13.684 3.254 1.00 0.00 C ATOM 1135 C LEU A 68 -1.269 14.007 3.043 1.00 0.00 C ATOM 1136 O LEU A 68 -0.700 13.697 1.995 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.519 14.978 3.579 1.00 0.00 C ATOM 1138 CG LEU A 68 -4.286 15.001 4.906 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.322 15.065 6.081 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -5.245 16.181 4.939 1.00 0.00 C ATOM 0 H LEU A 68 -3.595 12.917 5.020 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.158 13.264 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.811 15.806 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.227 15.165 2.772 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.863 14.080 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.886 15.081 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.671 14.191 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.718 15.969 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.784 16.186 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.683 17.109 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.957 16.095 4.118 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.652 14.630 4.043 1.00 0.00 N ATOM 1153 CA LYS A 69 0.760 14.996 3.965 1.00 0.00 C ATOM 1154 C LYS A 69 1.609 13.806 3.530 1.00 0.00 C ATOM 1155 O LYS A 69 2.561 13.954 2.761 1.00 0.00 O ATOM 1156 CB LYS A 69 1.247 15.515 5.321 1.00 0.00 C ATOM 1157 CG LYS A 69 0.814 14.649 6.494 1.00 0.00 C ATOM 1158 CD LYS A 69 0.096 15.461 7.563 1.00 0.00 C ATOM 1159 CE LYS A 69 0.877 15.483 8.867 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.882 14.153 9.536 1.00 0.00 N ATOM 0 H LYS A 69 -1.107 14.892 4.917 1.00 0.00 H new ATOM 0 HA LYS A 69 0.865 15.785 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.335 15.577 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.872 16.528 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.156 13.856 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.688 14.166 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.051 16.481 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.894 15.039 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.903 15.794 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.443 16.225 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.290 14.245 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.093 13.798 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.452 13.486 8.978 1.00 0.00 H new ATOM 1174 N HIS A 70 1.257 12.626 4.028 1.00 0.00 N ATOM 1175 CA HIS A 70 1.983 11.408 3.693 1.00 0.00 C ATOM 1176 C HIS A 70 1.935 11.143 2.191 1.00 0.00 C ATOM 1177 O HIS A 70 2.912 10.684 1.603 1.00 0.00 O ATOM 1178 CB HIS A 70 1.400 10.219 4.457 1.00 0.00 C ATOM 1179 CG HIS A 70 1.789 10.194 5.902 1.00 0.00 C ATOM 1180 ND1 HIS A 70 1.801 9.043 6.661 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.184 11.192 6.730 1.00 0.00 C ATOM 1182 CE1 HIS A 70 2.185 9.332 7.891 1.00 0.00 C ATOM 1183 NE2 HIS A 70 2.424 10.630 7.959 1.00 0.00 N ATOM 0 H HIS A 70 0.473 12.488 4.665 1.00 0.00 H new ATOM 0 HA HIS A 70 3.025 11.540 3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.313 10.245 4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.730 9.295 3.983 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.290 12.235 6.471 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.286 8.627 8.703 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.736 11.133 8.790 1.00 0.00 H new ATOM 1192 N GLN A 71 0.793 11.441 1.576 1.00 0.00 N ATOM 1193 CA GLN A 71 0.625 11.239 0.140 1.00 0.00 C ATOM 1194 C GLN A 71 1.642 12.061 -0.639 1.00 0.00 C ATOM 1195 O GLN A 71 2.302 11.557 -1.550 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.792 11.620 -0.291 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.863 10.679 0.236 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.267 11.149 -0.096 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.643 12.281 0.210 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.049 10.280 -0.726 1.00 0.00 N ATOM 0 H GLN A 71 -0.027 11.822 2.048 1.00 0.00 H new ATOM 0 HA GLN A 71 0.788 10.183 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.008 12.631 0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.839 11.637 -1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.707 9.685 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.761 10.587 1.317 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.696 9.352 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.003 10.540 -0.976 1.00 0.00 H new ATOM 1209 N VAL A 72 1.766 13.331 -0.272 1.00 0.00 N ATOM 1210 CA VAL A 72 2.703 14.232 -0.928 1.00 0.00 C ATOM 1211 C VAL A 72 4.122 13.681 -0.862 1.00 0.00 C ATOM 1212 O VAL A 72 4.802 13.563 -1.883 1.00 0.00 O ATOM 1213 CB VAL A 72 2.678 15.634 -0.292 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.496 16.613 -1.121 1.00 0.00 C ATOM 1215 CG2 VAL A 72 1.244 16.123 -0.135 1.00 0.00 C ATOM 0 H VAL A 72 1.227 13.760 0.480 1.00 0.00 H new ATOM 0 HA VAL A 72 2.391 14.312 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 72 3.127 15.571 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.466 17.598 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.529 16.269 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.080 16.674 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.245 17.115 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.766 16.170 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.693 15.434 0.505 1.00 0.00 H new ATOM 1225 N GLU A 73 4.566 13.342 0.344 1.00 0.00 N ATOM 1226 CA GLU A 73 5.905 12.799 0.536 1.00 0.00 C ATOM 1227 C GLU A 73 6.025 11.427 -0.113 1.00 0.00 C ATOM 1228 O GLU A 73 7.083 11.063 -0.625 1.00 0.00 O ATOM 1229 CB GLU A 73 6.240 12.708 2.025 1.00 0.00 C ATOM 1230 CG GLU A 73 7.712 12.926 2.331 1.00 0.00 C ATOM 1231 CD GLU A 73 8.072 14.395 2.449 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.419 15.104 3.243 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.007 14.835 1.747 1.00 0.00 O ATOM 0 H GLU A 73 4.020 13.434 1.200 1.00 0.00 H new ATOM 0 HA GLU A 73 6.617 13.473 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.651 13.448 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.941 11.728 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.965 12.418 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.314 12.470 1.545 1.00 0.00 H new ATOM 1240 N TYR A 74 4.929 10.673 -0.106 1.00 0.00 N ATOM 1241 CA TYR A 74 4.920 9.347 -0.712 1.00 0.00 C ATOM 1242 C TYR A 74 5.396 9.439 -2.154 1.00 0.00 C ATOM 1243 O TYR A 74 6.200 8.627 -2.612 1.00 0.00 O ATOM 1244 CB TYR A 74 3.515 8.742 -0.659 1.00 0.00 C ATOM 1245 CG TYR A 74 3.477 7.264 -0.972 1.00 0.00 C ATOM 1246 CD1 TYR A 74 3.747 6.798 -2.253 1.00 0.00 C ATOM 1247 CD2 TYR A 74 3.171 6.333 0.012 1.00 0.00 C ATOM 1248 CE1 TYR A 74 3.713 5.447 -2.543 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.135 4.981 -0.270 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.407 4.543 -1.548 1.00 0.00 C ATOM 1251 OH TYR A 74 3.371 3.198 -1.833 1.00 0.00 O ATOM 0 H TYR A 74 4.042 10.956 0.310 1.00 0.00 H new ATOM 0 HA TYR A 74 5.595 8.700 -0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.096 8.905 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.875 9.270 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.987 7.503 -3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.957 6.672 1.015 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.925 5.101 -3.544 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.895 4.271 0.507 1.00 0.00 H new ATOM 0 HH TYR A 74 4.079 2.981 -2.475 1.00 0.00 H new ATOM 1261 N ASP A 75 4.901 10.451 -2.856 1.00 0.00 N ATOM 1262 CA ASP A 75 5.279 10.682 -4.242 1.00 0.00 C ATOM 1263 C ASP A 75 6.705 11.220 -4.323 1.00 0.00 C ATOM 1264 O ASP A 75 7.451 10.887 -5.245 1.00 0.00 O ATOM 1265 CB ASP A 75 4.311 11.666 -4.900 1.00 0.00 C ATOM 1266 CG ASP A 75 4.270 11.516 -6.409 1.00 0.00 C ATOM 1267 OD1 ASP A 75 5.351 11.517 -7.035 1.00 0.00 O ATOM 1268 OD2 ASP A 75 3.157 11.398 -6.964 1.00 0.00 O ATOM 0 H ASP A 75 4.234 11.127 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 75 5.232 9.732 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.311 11.513 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.605 12.685 -4.647 1.00 0.00 H new ATOM 1273 N GLN A 76 7.077 12.052 -3.354 1.00 0.00 N ATOM 1274 CA GLN A 76 8.413 12.635 -3.317 1.00 0.00 C ATOM 1275 C GLN A 76 9.473 11.561 -3.091 1.00 0.00 C ATOM 1276 O GLN A 76 10.604 11.684 -3.558 1.00 0.00 O ATOM 1277 CB GLN A 76 8.500 13.693 -2.216 1.00 0.00 C ATOM 1278 CG GLN A 76 7.417 14.756 -2.308 1.00 0.00 C ATOM 1279 CD GLN A 76 7.952 16.094 -2.782 1.00 0.00 C ATOM 1280 OE1 GLN A 76 8.549 16.192 -3.854 1.00 0.00 O ATOM 1281 NE2 GLN A 76 7.739 17.133 -1.982 1.00 0.00 N ATOM 0 H GLN A 76 6.471 12.337 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 76 8.601 13.107 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.434 13.202 -1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.476 14.175 -2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.638 14.418 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.951 14.881 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.239 17.005 -1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.075 18.059 -2.248 1.00 0.00 H new ATOM 1290 N LEU A 77 9.097 10.511 -2.367 1.00 0.00 N ATOM 1291 CA LEU A 77 10.017 9.417 -2.074 1.00 0.00 C ATOM 1292 C LEU A 77 10.001 8.375 -3.187 1.00 0.00 C ATOM 1293 O LEU A 77 11.033 7.793 -3.521 1.00 0.00 O ATOM 1294 CB LEU A 77 9.653 8.761 -0.740 1.00 0.00 C ATOM 1295 CG LEU A 77 9.814 9.660 0.487 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.302 8.955 1.734 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.270 10.065 0.661 1.00 0.00 C ATOM 0 H LEU A 77 8.163 10.395 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 77 11.023 9.832 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.619 8.421 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.274 7.875 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 77 9.222 10.562 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.424 9.609 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.247 8.714 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.868 8.037 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.367 10.704 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.883 9.173 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.605 10.608 -0.223 1.00 0.00 H new ATOM 1309 N THR A 78 8.824 8.143 -3.755 1.00 0.00 N ATOM 1310 CA THR A 78 8.674 7.168 -4.830 1.00 0.00 C ATOM 1311 C THR A 78 8.945 7.811 -6.190 1.00 0.00 C ATOM 1312 O THR A 78 8.377 8.854 -6.514 1.00 0.00 O ATOM 1313 CB THR A 78 7.267 6.569 -4.807 1.00 0.00 C ATOM 1314 OG1 THR A 78 6.289 7.576 -4.990 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.946 5.845 -3.517 1.00 0.00 C ATOM 0 H THR A 78 7.960 8.616 -3.490 1.00 0.00 H new ATOM 0 HA THR A 78 9.403 6.373 -4.673 1.00 0.00 H new ATOM 0 HB THR A 78 7.247 5.848 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.878 7.794 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.934 5.444 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.653 5.028 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.020 6.541 -2.681 1.00 0.00 H new ATOM 1323 N PRO A 79 9.819 7.196 -7.010 1.00 0.00 N ATOM 1324 CA PRO A 79 10.155 7.720 -8.336 1.00 0.00 C ATOM 1325 C PRO A 79 9.037 7.494 -9.348 1.00 0.00 C ATOM 1326 O PRO A 79 8.382 6.452 -9.343 1.00 0.00 O ATOM 1327 CB PRO A 79 11.397 6.919 -8.724 1.00 0.00 C ATOM 1328 CG PRO A 79 11.247 5.625 -8.002 1.00 0.00 C ATOM 1329 CD PRO A 79 10.544 5.946 -6.710 1.00 0.00 C ATOM 0 HA PRO A 79 10.312 8.799 -8.323 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.451 6.768 -9.802 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.310 7.435 -8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.670 4.914 -8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.219 5.169 -7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.862 5.148 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.251 6.079 -5.891 1.00 0.00 H new ATOM 1337 N ARG A 80 8.823 8.479 -10.216 1.00 0.00 N ATOM 1338 CA ARG A 80 7.782 8.386 -11.234 1.00 0.00 C ATOM 1339 C ARG A 80 8.265 7.570 -12.430 1.00 0.00 C ATOM 1340 O ARG A 80 9.461 7.333 -12.590 1.00 0.00 O ATOM 1341 CB ARG A 80 7.359 9.785 -11.687 1.00 0.00 C ATOM 1342 CG ARG A 80 5.921 10.130 -11.331 1.00 0.00 C ATOM 1343 CD ARG A 80 5.473 11.417 -12.007 1.00 0.00 C ATOM 1344 NE ARG A 80 4.022 11.581 -11.965 1.00 0.00 N ATOM 1345 CZ ARG A 80 3.398 12.727 -12.223 1.00 0.00 C ATOM 1346 NH1 ARG A 80 4.092 13.812 -12.541 1.00 0.00 N ATOM 1347 NH2 ARG A 80 2.075 12.789 -12.163 1.00 0.00 N ATOM 0 H ARG A 80 9.356 9.349 -10.235 1.00 0.00 H new ATOM 0 HA ARG A 80 6.921 7.879 -10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.023 10.521 -11.234 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.486 9.862 -12.767 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.265 9.313 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.828 10.234 -10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.948 12.268 -11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.808 11.417 -13.044 1.00 0.00 H new ATOM 0 HE ARG A 80 3.454 10.769 -11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.110 13.770 -12.589 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.608 14.688 -12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.536 11.958 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.596 13.668 -12.361 1.00 0.00 H new TER 1361 ARG A 80