USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 632 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 NoAdj : A 21 ASNHD21 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD NoAdj : A 21 ASNHD22 : A 21 ASN OD1 : A1085 CACA :(metal ligand) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.887 X(o=-0.89,f=-0.63) USER MOD Single : A 6 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.0025) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= -1.9 USER MOD Single : A 40 SER OG : rot 40:sc= 0.0411 USER MOD Single : A 42 THR OG1 : rot -150:sc= 0.0739 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.64 K(o=-0.64,f=-1.2) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 156:sc= -9.13! (180deg=-10.4!) USER MOD Single : A 55 THR OG1 : rot -23:sc= -2.21! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 67 THR OG1 : rot 79:sc= 0.358 USER MOD Single : A 73 ASN : amide:sc= -3.78! C(o=-3.8!,f=-5.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.674 -18.954 -0.274 1.00 0.00 N ATOM 2 CA ALA A 1 8.212 -18.671 -0.290 1.00 0.00 C ATOM 3 C ALA A 1 7.984 -17.161 -0.199 1.00 0.00 C ATOM 4 O ALA A 1 8.307 -16.533 0.790 1.00 0.00 O ATOM 5 CB ALA A 1 7.545 -19.360 0.901 1.00 0.00 C ATOM 0 H1 ALA A 1 9.830 -19.980 -0.336 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.127 -18.486 -1.085 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.088 -18.594 0.610 1.00 0.00 H new ATOM 0 HA ALA A 1 7.779 -19.049 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.475 -19.153 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.707 -20.436 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.977 -18.983 1.828 1.00 0.00 H new ATOM 13 N ASP A 2 7.428 -16.572 -1.223 1.00 0.00 N ATOM 14 CA ASP A 2 7.180 -15.104 -1.193 1.00 0.00 C ATOM 15 C ASP A 2 5.760 -14.836 -0.687 1.00 0.00 C ATOM 16 O ASP A 2 4.793 -15.017 -1.399 1.00 0.00 O ATOM 17 CB ASP A 2 7.335 -14.531 -2.604 1.00 0.00 C ATOM 18 CG ASP A 2 7.167 -13.011 -2.558 1.00 0.00 C ATOM 19 OD1 ASP A 2 7.341 -12.448 -1.490 1.00 0.00 O ATOM 20 OD2 ASP A 2 6.865 -12.437 -3.591 1.00 0.00 O ATOM 0 H ASP A 2 7.135 -17.045 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 2 7.899 -14.628 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.315 -14.787 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.592 -14.970 -3.270 1.00 0.00 H new ATOM 25 N ASP A 3 5.628 -14.406 0.538 1.00 25.00 N ATOM 26 CA ASP A 3 4.272 -14.128 1.088 1.00 25.00 C ATOM 27 C ASP A 3 4.205 -12.677 1.571 1.00 25.00 C ATOM 28 O ASP A 3 4.924 -12.277 2.463 1.00 25.00 O ATOM 29 CB ASP A 3 3.994 -15.069 2.261 1.00 25.00 C ATOM 30 CG ASP A 3 2.597 -14.790 2.821 1.00 25.00 C ATOM 31 OD1 ASP A 3 1.935 -13.909 2.297 1.00 25.00 O ATOM 32 OD2 ASP A 3 2.213 -15.462 3.764 1.00 25.00 O ATOM 0 H ASP A 3 6.401 -14.235 1.181 1.00 25.00 H new ATOM 0 HA ASP A 3 3.525 -14.287 0.310 1.00 25.00 H new ATOM 0 HB2 ASP A 3 4.065 -16.106 1.933 1.00 25.00 H new ATOM 0 HB3 ASP A 3 4.744 -14.928 3.039 1.00 25.00 H new ATOM 37 N HIS A 4 3.347 -11.886 0.987 1.00 25.00 N ATOM 38 CA HIS A 4 3.235 -10.460 1.411 1.00 25.00 C ATOM 39 C HIS A 4 1.875 -10.232 2.070 1.00 25.00 C ATOM 40 O HIS A 4 1.016 -11.091 2.054 1.00 25.00 O ATOM 41 CB HIS A 4 3.364 -9.531 0.193 1.00 50.00 C ATOM 42 CG HIS A 4 3.172 -10.307 -1.084 1.00 50.00 C ATOM 43 ND1 HIS A 4 1.937 -10.418 -1.704 1.00 50.00 N ATOM 44 CD2 HIS A 4 4.049 -11.015 -1.868 1.00 50.00 C ATOM 45 CE1 HIS A 4 2.104 -11.167 -2.810 1.00 50.00 C ATOM 46 NE2 HIS A 4 3.374 -11.556 -2.957 1.00 50.00 N ATOM 0 H HIS A 4 2.718 -12.165 0.234 1.00 25.00 H new ATOM 0 HA HIS A 4 4.035 -10.239 2.117 1.00 25.00 H new ATOM 0 HB2 HIS A 4 2.623 -8.734 0.256 1.00 50.00 H new ATOM 0 HB3 HIS A 4 4.345 -9.056 0.193 1.00 50.00 H new ATOM 0 HD2 HIS A 4 5.104 -11.134 -1.669 1.00 50.00 H new ATOM 0 HE1 HIS A 4 1.309 -11.422 -3.495 1.00 50.00 H new ATOM 0 HE2 HIS A 4 3.764 -12.127 -3.707 1.00 50.00 H new ATOM 54 N PRO A 5 1.676 -9.042 2.655 1.00 25.00 N ATOM 55 CA PRO A 5 0.415 -8.687 3.312 1.00 25.00 C ATOM 56 C PRO A 5 -0.713 -8.539 2.292 1.00 25.00 C ATOM 57 O PRO A 5 -1.880 -8.661 2.612 1.00 25.00 O ATOM 58 CB PRO A 5 0.717 -7.337 3.963 1.00 50.00 C ATOM 59 CG PRO A 5 1.833 -6.773 3.151 1.00 50.00 C ATOM 60 CD PRO A 5 2.662 -7.948 2.717 1.00 50.00 C ATOM 0 HA PRO A 5 0.086 -9.446 4.022 1.00 25.00 H new ATOM 0 HB2 PRO A 5 -0.156 -6.684 3.946 1.00 50.00 H new ATOM 0 HB3 PRO A 5 1.006 -7.456 5.007 1.00 50.00 H new ATOM 0 HG2 PRO A 5 1.451 -6.225 2.290 1.00 50.00 H new ATOM 0 HG3 PRO A 5 2.427 -6.072 3.737 1.00 50.00 H new ATOM 0 HD2 PRO A 5 3.134 -7.774 1.750 1.00 50.00 H new ATOM 0 HD3 PRO A 5 3.460 -8.163 3.427 1.00 50.00 H new ATOM 68 N GLN A 6 -0.369 -8.286 1.059 1.00 25.00 N ATOM 69 CA GLN A 6 -1.410 -8.139 0.006 1.00 25.00 C ATOM 70 C GLN A 6 -2.165 -9.456 -0.141 1.00 25.00 C ATOM 71 O GLN A 6 -3.370 -9.481 -0.299 1.00 25.00 O ATOM 72 CB GLN A 6 -0.740 -7.784 -1.323 1.00 25.00 C ATOM 73 CG GLN A 6 -0.721 -6.264 -1.495 1.00 25.00 C ATOM 74 CD GLN A 6 0.399 -5.873 -2.461 1.00 25.00 C ATOM 75 OE1 GLN A 6 0.151 -5.268 -3.485 1.00 25.00 O ATOM 76 NE2 GLN A 6 1.632 -6.198 -2.179 1.00 25.00 N ATOM 0 H GLN A 6 0.592 -8.175 0.736 1.00 25.00 H new ATOM 0 HA GLN A 6 -2.106 -7.348 0.285 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.277 -8.176 -1.346 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.279 -8.247 -2.149 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -1.682 -5.919 -1.877 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.569 -5.780 -0.530 1.00 25.00 H new ATOM 0 HE21 GLN A 6 1.842 -6.706 -1.320 1.00 25.00 H new ATOM 0 HE22 GLN A 6 2.385 -5.944 -2.818 1.00 25.00 H new ATOM 85 N ASP A 7 -1.466 -10.555 -0.088 1.00 16.66 N ATOM 86 CA ASP A 7 -2.144 -11.874 -0.223 1.00 16.66 C ATOM 87 C ASP A 7 -3.124 -12.059 0.936 1.00 16.66 C ATOM 88 O ASP A 7 -4.223 -12.548 0.763 1.00 16.66 O ATOM 89 CB ASP A 7 -1.102 -12.993 -0.192 1.00 16.66 C ATOM 90 CG ASP A 7 -0.234 -12.918 -1.450 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.622 -12.219 -2.372 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.802 -13.561 -1.470 1.00 50.00 O ATOM 0 H ASP A 7 -0.455 -10.597 0.043 1.00 16.66 H new ATOM 0 HA ASP A 7 -2.684 -11.910 -1.169 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.480 -12.900 0.698 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.596 -13.963 -0.136 1.00 16.66 H new ATOM 97 N LYS A 8 -2.732 -11.670 2.116 1.00 16.66 N ATOM 98 CA LYS A 8 -3.638 -11.818 3.289 1.00 16.66 C ATOM 99 C LYS A 8 -4.990 -11.183 2.971 1.00 16.66 C ATOM 100 O LYS A 8 -6.028 -11.675 3.365 1.00 16.66 O ATOM 101 CB LYS A 8 -3.019 -11.120 4.499 1.00 16.66 C ATOM 102 CG LYS A 8 -2.147 -12.115 5.266 1.00 16.66 C ATOM 103 CD LYS A 8 -2.137 -11.746 6.751 1.00 16.66 C ATOM 104 CE LYS A 8 -1.093 -12.594 7.480 1.00 50.00 C ATOM 105 NZ LYS A 8 -0.119 -11.700 8.168 1.00 50.00 N ATOM 0 H LYS A 8 -1.823 -11.255 2.320 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.777 -12.876 3.511 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.420 -10.269 4.175 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.803 -10.730 5.148 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.530 -13.127 5.134 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.131 -12.105 4.871 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.910 -10.687 6.872 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -3.123 -11.912 7.185 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -1.580 -13.245 8.206 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.573 -13.239 6.771 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 0.591 -12.276 8.664 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.354 -11.096 7.466 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -0.621 -11.103 8.855 1.00 50.00 H new ATOM 119 N ALA A 9 -4.985 -10.094 2.257 1.00 16.66 N ATOM 120 CA ALA A 9 -6.270 -9.428 1.908 1.00 16.66 C ATOM 121 C ALA A 9 -7.134 -10.410 1.124 1.00 16.66 C ATOM 122 O ALA A 9 -8.307 -10.575 1.391 1.00 16.66 O ATOM 123 CB ALA A 9 -5.993 -8.190 1.053 1.00 16.66 C ATOM 0 H ALA A 9 -4.147 -9.636 1.900 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.788 -9.122 2.817 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.935 -7.705 0.799 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.366 -7.495 1.611 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.480 -8.487 0.138 1.00 16.66 H new ATOM 129 N GLU A 10 -6.556 -11.070 0.162 1.00 16.66 N ATOM 130 CA GLU A 10 -7.337 -12.052 -0.638 1.00 16.66 C ATOM 131 C GLU A 10 -7.739 -13.219 0.265 1.00 16.66 C ATOM 132 O GLU A 10 -8.855 -13.695 0.226 1.00 16.66 O ATOM 133 CB GLU A 10 -6.479 -12.569 -1.794 1.00 16.66 C ATOM 134 CG GLU A 10 -5.933 -11.384 -2.594 1.00 16.66 C ATOM 135 CD GLU A 10 -7.097 -10.612 -3.219 1.00 16.66 C ATOM 136 OE1 GLU A 10 -8.183 -11.165 -3.283 1.00 16.66 O ATOM 137 OE2 GLU A 10 -6.883 -9.481 -3.623 1.00 16.66 O ATOM 0 H GLU A 10 -5.577 -10.972 -0.105 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.229 -11.574 -1.042 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.656 -13.172 -1.409 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.072 -13.215 -2.441 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -5.355 -10.728 -1.944 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.257 -11.737 -3.373 1.00 16.66 H new ATOM 144 N ARG A 11 -6.832 -13.675 1.081 1.00 16.66 N ATOM 145 CA ARG A 11 -7.147 -14.806 1.996 1.00 16.66 C ATOM 146 C ARG A 11 -8.213 -14.368 2.999 1.00 16.66 C ATOM 147 O ARG A 11 -9.119 -15.108 3.327 1.00 16.66 O ATOM 148 CB ARG A 11 -5.882 -15.211 2.749 1.00 16.66 C ATOM 149 CG ARG A 11 -4.907 -15.885 1.784 1.00 16.66 C ATOM 150 CD ARG A 11 -3.873 -16.683 2.577 1.00 50.00 C ATOM 151 NE ARG A 11 -2.603 -16.747 1.804 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.256 -17.855 1.210 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.298 -18.588 1.703 1.00 50.00 N ATOM 154 NH2 ARG A 11 -2.869 -18.229 0.119 1.00 50.00 N ATOM 0 H ARG A 11 -5.882 -13.312 1.154 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.518 -15.652 1.417 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.417 -14.334 3.198 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -6.133 -15.891 3.563 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.448 -16.544 1.105 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.409 -15.134 1.170 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.699 -16.214 3.545 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -4.245 -17.689 2.772 1.00 50.00 H new ATOM 0 HE ARG A 11 -2.004 -15.924 1.739 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -0.819 -18.295 2.554 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -1.028 -19.454 1.237 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -3.618 -17.655 -0.267 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -2.599 -19.095 -0.347 1.00 50.00 H new ATOM 168 N GLU A 12 -8.109 -13.165 3.486 1.00 16.66 N ATOM 169 CA GLU A 12 -9.106 -12.663 4.466 1.00 16.66 C ATOM 170 C GLU A 12 -10.480 -12.590 3.802 1.00 16.66 C ATOM 171 O GLU A 12 -11.484 -12.937 4.391 1.00 16.66 O ATOM 172 CB GLU A 12 -8.689 -11.270 4.936 1.00 16.66 C ATOM 173 CG GLU A 12 -7.594 -11.398 5.997 1.00 16.66 C ATOM 174 CD GLU A 12 -7.495 -10.092 6.789 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.168 -9.145 6.418 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.748 -10.063 7.753 1.00 50.00 O ATOM 0 H GLU A 12 -7.370 -12.504 3.245 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.155 -13.338 5.321 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -8.326 -10.683 4.092 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.549 -10.740 5.347 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.819 -12.227 6.668 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.638 -11.622 5.523 1.00 16.66 H new ATOM 183 N ARG A 13 -10.531 -12.148 2.578 1.00 16.66 N ATOM 184 CA ARG A 13 -11.840 -12.060 1.875 1.00 16.66 C ATOM 185 C ARG A 13 -12.361 -13.470 1.611 1.00 16.66 C ATOM 186 O ARG A 13 -13.540 -13.742 1.730 1.00 16.66 O ATOM 187 CB ARG A 13 -11.662 -11.322 0.547 1.00 16.66 C ATOM 188 CG ARG A 13 -11.163 -9.901 0.815 1.00 16.66 C ATOM 189 CD ARG A 13 -10.686 -9.273 -0.496 1.00 16.66 C ATOM 190 NE ARG A 13 -11.447 -8.019 -0.751 1.00 50.00 N ATOM 191 CZ ARG A 13 -12.631 -8.074 -1.296 1.00 50.00 C ATOM 192 NH1 ARG A 13 -12.778 -7.808 -2.566 1.00 50.00 N ATOM 193 NH2 ARG A 13 -13.670 -8.395 -0.573 1.00 50.00 N ATOM 0 H ARG A 13 -9.724 -11.844 2.034 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.552 -11.515 2.494 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.952 -11.855 -0.085 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.608 -11.291 0.007 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.961 -9.300 1.250 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.348 -9.920 1.539 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.619 -9.059 -0.442 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.829 -9.972 -1.320 1.00 16.66 H new ATOM 0 HE ARG A 13 -11.043 -7.117 -0.500 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -11.967 -7.557 -3.132 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -13.704 -7.851 -2.992 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.556 -8.603 0.419 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -14.595 -8.438 -1.000 1.00 50.00 H new ATOM 207 N ILE A 14 -11.490 -14.373 1.263 1.00 16.66 N ATOM 208 CA ILE A 14 -11.929 -15.769 1.003 1.00 16.66 C ATOM 209 C ILE A 14 -12.308 -16.427 2.330 1.00 16.66 C ATOM 210 O ILE A 14 -13.335 -17.068 2.447 1.00 16.66 O ATOM 211 CB ILE A 14 -10.787 -16.549 0.352 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.332 -15.823 -0.915 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.273 -17.954 -0.010 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.898 -16.235 -1.254 1.00 50.00 C ATOM 0 H ILE A 14 -10.491 -14.204 1.147 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.790 -15.767 0.335 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.951 -16.622 1.048 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.997 -16.066 -1.744 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.386 -14.744 -0.768 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.460 -18.512 -0.474 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.598 -18.471 0.893 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.108 -17.882 -0.707 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.575 -15.717 -2.157 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.238 -15.970 -0.428 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.858 -17.312 -1.419 1.00 50.00 H new ATOM 226 N PHE A 15 -11.491 -16.270 3.336 1.00 16.66 N ATOM 227 CA PHE A 15 -11.816 -16.883 4.651 1.00 16.66 C ATOM 228 C PHE A 15 -13.064 -16.212 5.223 1.00 16.66 C ATOM 229 O PHE A 15 -13.890 -16.844 5.850 1.00 16.66 O ATOM 230 CB PHE A 15 -10.643 -16.697 5.618 1.00 16.66 C ATOM 231 CG PHE A 15 -10.990 -17.350 6.936 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.687 -18.702 7.146 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.622 -16.612 7.944 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.013 -19.314 8.362 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.952 -17.226 9.160 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.647 -18.577 9.369 1.00 16.66 C ATOM 0 H PHE A 15 -10.617 -15.746 3.303 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.000 -17.949 4.518 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.738 -17.141 5.203 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.439 -15.636 5.764 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.201 -19.273 6.368 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.855 -15.570 7.785 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.775 -20.355 8.523 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.442 -16.657 9.936 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.901 -19.050 10.306 1.00 16.66 H new ATOM 246 N LYS A 16 -13.211 -14.935 5.005 1.00 16.66 N ATOM 247 CA LYS A 16 -14.410 -14.226 5.530 1.00 16.66 C ATOM 248 C LYS A 16 -15.657 -14.764 4.828 1.00 16.66 C ATOM 249 O LYS A 16 -16.733 -14.799 5.391 1.00 16.66 O ATOM 250 CB LYS A 16 -14.279 -12.725 5.260 1.00 50.00 C ATOM 251 CG LYS A 16 -13.432 -12.082 6.360 1.00 50.00 C ATOM 252 CD LYS A 16 -13.512 -10.559 6.240 1.00 50.00 C ATOM 253 CE LYS A 16 -12.416 -9.923 7.096 1.00 50.00 C ATOM 254 NZ LYS A 16 -11.963 -8.653 6.461 1.00 50.00 N ATOM 0 H LYS A 16 -12.553 -14.353 4.487 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.492 -14.392 6.604 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.818 -12.558 4.287 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.266 -12.263 5.228 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.788 -12.400 7.340 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.396 -12.410 6.275 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.395 -10.259 5.199 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.492 -10.209 6.565 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -12.792 -9.726 8.100 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.576 -10.610 7.200 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.218 -8.220 7.043 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -11.588 -8.854 5.512 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -12.767 -7.997 6.384 1.00 50.00 H new ATOM 268 N ARG A 17 -15.518 -15.191 3.602 1.00 16.66 N ATOM 269 CA ARG A 17 -16.693 -15.733 2.865 1.00 16.66 C ATOM 270 C ARG A 17 -17.085 -17.079 3.474 1.00 16.66 C ATOM 271 O ARG A 17 -18.250 -17.408 3.584 1.00 16.66 O ATOM 272 CB ARG A 17 -16.330 -15.925 1.391 1.00 16.66 C ATOM 273 CG ARG A 17 -16.150 -14.558 0.728 1.00 16.66 C ATOM 274 CD ARG A 17 -17.382 -14.238 -0.122 1.00 50.00 C ATOM 275 NE ARG A 17 -17.219 -12.895 -0.747 1.00 50.00 N ATOM 276 CZ ARG A 17 -18.266 -12.148 -0.972 1.00 50.00 C ATOM 277 NH1 ARG A 17 -19.166 -11.988 -0.042 1.00 50.00 N ATOM 278 NH2 ARG A 17 -18.411 -11.561 -2.129 1.00 50.00 N ATOM 0 H ARG A 17 -14.642 -15.188 3.080 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.528 -15.037 2.941 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.412 -16.507 1.304 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.113 -16.487 0.883 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.009 -13.789 1.488 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.255 -14.559 0.105 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -17.512 -14.997 -0.894 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -18.279 -14.256 0.497 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.289 -12.559 -0.999 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -19.052 -12.447 0.862 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -19.984 -11.404 -0.219 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -17.707 -11.686 -2.856 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -19.229 -10.977 -2.306 1.00 50.00 H new ATOM 292 N PHE A 18 -16.118 -17.859 3.871 1.00 16.66 N ATOM 293 CA PHE A 18 -16.431 -19.183 4.477 1.00 16.66 C ATOM 294 C PHE A 18 -17.117 -18.976 5.826 1.00 16.66 C ATOM 295 O PHE A 18 -18.143 -19.562 6.109 1.00 16.66 O ATOM 296 CB PHE A 18 -15.136 -19.973 4.675 1.00 16.66 C ATOM 297 CG PHE A 18 -14.654 -20.491 3.341 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.316 -21.559 2.724 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.545 -19.903 2.721 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.869 -22.039 1.487 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.097 -20.384 1.485 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.760 -21.452 0.867 1.00 16.66 C ATOM 0 H PHE A 18 -15.125 -17.637 3.802 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.095 -19.738 3.815 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.375 -19.337 5.127 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.305 -20.804 5.360 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.172 -22.013 3.202 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.035 -19.078 3.196 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.380 -22.863 1.011 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.240 -19.932 1.008 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.416 -21.822 -0.087 1.00 16.66 H new ATOM 312 N ASP A 19 -16.563 -18.142 6.660 1.00 16.66 N ATOM 313 CA ASP A 19 -17.190 -17.894 7.987 1.00 16.66 C ATOM 314 C ASP A 19 -18.614 -17.370 7.771 1.00 16.66 C ATOM 315 O ASP A 19 -18.816 -16.228 7.410 1.00 16.66 O ATOM 316 CB ASP A 19 -16.363 -16.862 8.758 1.00 16.66 C ATOM 317 CG ASP A 19 -16.616 -17.033 10.252 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.364 -17.927 10.598 1.00 16.66 O ATOM 319 OD2 ASP A 19 -16.052 -16.273 11.023 1.00 16.66 O ATOM 0 H ASP A 19 -15.704 -17.622 6.480 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.225 -18.819 8.563 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.303 -16.991 8.539 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.633 -15.854 8.444 1.00 16.66 H new ATOM 324 N ALA A 20 -19.602 -18.205 7.964 1.00 16.66 N ATOM 325 CA ALA A 20 -21.013 -17.769 7.743 1.00 16.66 C ATOM 326 C ALA A 20 -21.450 -16.753 8.804 1.00 16.66 C ATOM 327 O ALA A 20 -21.961 -15.699 8.481 1.00 16.66 O ATOM 328 CB ALA A 20 -21.933 -18.990 7.809 1.00 50.00 C ATOM 0 H ALA A 20 -19.492 -19.173 8.266 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.078 -17.296 6.763 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.965 -18.677 7.648 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.646 -19.704 7.037 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.845 -19.460 8.789 1.00 50.00 H new ATOM 334 N ASN A 21 -21.273 -17.051 10.065 1.00 16.66 N ATOM 335 CA ASN A 21 -21.705 -16.078 11.111 1.00 16.66 C ATOM 336 C ASN A 21 -20.591 -15.059 11.358 1.00 16.66 C ATOM 337 O ASN A 21 -20.845 -13.913 11.670 1.00 16.66 O ATOM 338 CB ASN A 21 -22.061 -16.819 12.406 1.00 16.66 C ATOM 339 CG ASN A 21 -20.819 -17.457 13.035 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.890 -17.819 12.339 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.796 -17.608 14.330 1.00 16.66 N ATOM 0 H ASN A 21 -20.854 -17.914 10.412 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.593 -15.548 10.766 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.515 -16.125 13.113 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.803 -17.590 12.196 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.987 -18.037 14.779 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.587 -17.297 14.894 1.00 16.66 H new ATOM 348 N GLY A 22 -19.362 -15.460 11.200 1.00 16.66 N ATOM 349 CA GLY A 22 -18.239 -14.501 11.404 1.00 16.66 C ATOM 350 C GLY A 22 -17.717 -14.592 12.838 1.00 16.66 C ATOM 351 O GLY A 22 -17.346 -13.600 13.434 1.00 16.66 O ATOM 0 H GLY A 22 -19.085 -16.407 10.939 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.434 -14.719 10.702 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.577 -13.486 11.197 1.00 16.66 H new ATOM 355 N ASP A 23 -17.667 -15.768 13.395 1.00 16.66 N ATOM 356 CA ASP A 23 -17.147 -15.901 14.786 1.00 16.66 C ATOM 357 C ASP A 23 -15.647 -16.211 14.736 1.00 16.66 C ATOM 358 O ASP A 23 -15.019 -16.458 15.747 1.00 16.66 O ATOM 359 CB ASP A 23 -17.892 -17.013 15.535 1.00 16.66 C ATOM 360 CG ASP A 23 -17.731 -18.350 14.807 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.325 -18.338 13.661 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.028 -19.367 15.412 1.00 16.66 O ATOM 0 H ASP A 23 -17.961 -16.639 12.952 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.308 -14.964 15.319 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.507 -17.097 16.551 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.949 -16.761 15.615 1.00 16.66 H new ATOM 367 N GLY A 24 -15.064 -16.179 13.565 1.00 16.66 N ATOM 368 CA GLY A 24 -13.603 -16.451 13.447 1.00 16.66 C ATOM 369 C GLY A 24 -13.354 -17.940 13.190 1.00 16.66 C ATOM 370 O GLY A 24 -12.237 -18.355 12.957 1.00 16.66 O ATOM 0 H GLY A 24 -15.539 -15.976 12.685 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.182 -15.860 12.634 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.095 -16.144 14.361 1.00 16.66 H new ATOM 374 N LYS A 25 -14.376 -18.750 13.238 1.00 16.66 N ATOM 375 CA LYS A 25 -14.172 -20.208 13.004 1.00 16.66 C ATOM 376 C LYS A 25 -15.175 -20.717 11.966 1.00 16.66 C ATOM 377 O LYS A 25 -16.328 -20.317 11.939 1.00 16.66 O ATOM 378 CB LYS A 25 -14.363 -20.971 14.320 1.00 50.00 C ATOM 379 CG LYS A 25 -15.828 -20.897 14.750 1.00 50.00 C ATOM 380 CD LYS A 25 -16.098 -21.965 15.814 1.00 50.00 C ATOM 381 CE LYS A 25 -17.590 -22.302 15.829 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.076 -22.346 17.237 1.00 50.00 N ATOM 0 H LYS A 25 -15.338 -18.468 13.428 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.161 -20.371 12.632 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.063 -22.011 14.195 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.725 -20.545 15.094 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.053 -19.907 15.147 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.480 -21.051 13.890 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.514 -22.861 15.602 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.785 -21.605 16.794 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.148 -21.555 15.264 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.761 -23.263 15.344 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.090 -22.575 17.247 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.551 -23.074 17.763 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.926 -21.420 17.685 1.00 50.00 H new ATOM 396 N ILE A 26 -14.738 -21.609 11.117 1.00 16.66 N ATOM 397 CA ILE A 26 -15.647 -22.169 10.078 1.00 16.66 C ATOM 398 C ILE A 26 -15.914 -23.643 10.377 1.00 16.66 C ATOM 399 O ILE A 26 -15.012 -24.406 10.655 1.00 16.66 O ATOM 400 CB ILE A 26 -14.992 -22.040 8.705 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.225 -20.720 8.627 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.071 -22.067 7.621 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.600 -20.586 7.241 1.00 16.66 C ATOM 0 H ILE A 26 -13.786 -21.975 11.100 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.588 -21.620 10.085 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.302 -22.870 8.553 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.896 -19.883 8.819 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.450 -20.689 9.393 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.604 -21.975 6.640 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.618 -23.008 7.675 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.761 -21.237 7.774 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.051 -19.646 7.179 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -12.917 -21.417 7.068 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.385 -20.599 6.485 1.00 16.66 H new ATOM 415 N SER A 27 -17.150 -24.046 10.320 1.00 16.66 N ATOM 416 CA SER A 27 -17.492 -25.466 10.599 1.00 16.66 C ATOM 417 C SER A 27 -17.838 -26.164 9.286 1.00 16.66 C ATOM 418 O SER A 27 -18.014 -25.529 8.265 1.00 16.66 O ATOM 419 CB SER A 27 -18.699 -25.524 11.537 1.00 50.00 C ATOM 420 OG SER A 27 -19.891 -25.349 10.785 1.00 50.00 O ATOM 0 H SER A 27 -17.944 -23.448 10.090 1.00 16.66 H new ATOM 0 HA SER A 27 -16.643 -25.963 11.068 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.722 -26.481 12.058 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.619 -24.748 12.298 1.00 50.00 H new ATOM 0 HG SER A 27 -20.665 -25.388 11.385 1.00 50.00 H new ATOM 426 N ALA A 28 -17.941 -27.462 9.298 1.00 16.66 N ATOM 427 CA ALA A 28 -18.279 -28.182 8.042 1.00 16.66 C ATOM 428 C ALA A 28 -19.510 -27.532 7.417 1.00 16.66 C ATOM 429 O ALA A 28 -19.552 -27.266 6.233 1.00 16.66 O ATOM 430 CB ALA A 28 -18.572 -29.651 8.352 1.00 50.00 C ATOM 0 H ALA A 28 -17.807 -28.053 10.119 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.440 -28.128 7.348 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.819 -30.175 7.429 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.693 -30.109 8.805 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.413 -29.716 9.043 1.00 50.00 H new ATOM 436 N ALA A 29 -20.512 -27.272 8.205 1.00 16.66 N ATOM 437 CA ALA A 29 -21.740 -26.635 7.658 1.00 16.66 C ATOM 438 C ALA A 29 -21.370 -25.316 6.985 1.00 16.66 C ATOM 439 O ALA A 29 -21.883 -24.978 5.937 1.00 16.66 O ATOM 440 CB ALA A 29 -22.732 -26.372 8.794 1.00 50.00 C ATOM 0 H ALA A 29 -20.535 -27.473 9.205 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.199 -27.300 6.926 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.631 -25.905 8.391 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -22.996 -27.315 9.272 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.276 -25.708 9.528 1.00 50.00 H new ATOM 446 N GLU A 30 -20.480 -24.569 7.574 1.00 16.66 N ATOM 447 CA GLU A 30 -20.079 -23.276 6.958 1.00 16.66 C ATOM 448 C GLU A 30 -19.152 -23.551 5.777 1.00 16.66 C ATOM 449 O GLU A 30 -19.394 -23.111 4.670 1.00 16.66 O ATOM 450 CB GLU A 30 -19.356 -22.413 7.996 1.00 16.66 C ATOM 451 CG GLU A 30 -20.322 -22.057 9.128 1.00 16.66 C ATOM 452 CD GLU A 30 -19.611 -21.163 10.149 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.579 -21.564 10.636 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.110 -20.094 10.426 1.00 16.66 O ATOM 0 H GLU A 30 -20.014 -24.797 8.452 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.965 -22.745 6.610 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.495 -22.950 8.394 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.977 -21.504 7.528 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.196 -21.544 8.726 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.681 -22.965 9.612 1.00 16.66 H new ATOM 461 N LEU A 31 -18.090 -24.271 5.999 1.00 16.66 N ATOM 462 CA LEU A 31 -17.147 -24.570 4.890 1.00 16.66 C ATOM 463 C LEU A 31 -17.890 -25.338 3.802 1.00 16.66 C ATOM 464 O LEU A 31 -17.796 -25.028 2.631 1.00 16.66 O ATOM 465 CB LEU A 31 -15.998 -25.421 5.437 1.00 16.66 C ATOM 466 CG LEU A 31 -14.808 -25.380 4.474 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.563 -25.923 5.179 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.108 -26.242 3.248 1.00 16.66 C ATOM 0 H LEU A 31 -17.834 -24.666 6.904 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.748 -23.647 4.470 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.696 -25.051 6.417 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.330 -26.450 5.573 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.634 -24.350 4.161 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.715 -25.894 4.494 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.344 -25.310 6.054 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.742 -26.952 5.492 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.259 -26.211 2.565 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.284 -27.271 3.561 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -15.995 -25.860 2.743 1.00 16.66 H new ATOM 480 N GLY A 32 -18.635 -26.335 4.184 1.00 16.66 N ATOM 481 CA GLY A 32 -19.394 -27.124 3.179 1.00 16.66 C ATOM 482 C GLY A 32 -20.396 -26.212 2.474 1.00 16.66 C ATOM 483 O GLY A 32 -20.566 -26.268 1.272 1.00 16.66 O ATOM 0 H GLY A 32 -18.751 -26.638 5.151 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.710 -27.563 2.452 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -19.915 -27.949 3.665 1.00 16.66 H new ATOM 487 N GLU A 33 -21.069 -25.377 3.214 1.00 16.66 N ATOM 488 CA GLU A 33 -22.068 -24.466 2.593 1.00 16.66 C ATOM 489 C GLU A 33 -21.388 -23.571 1.561 1.00 16.66 C ATOM 490 O GLU A 33 -21.911 -23.339 0.489 1.00 16.66 O ATOM 491 CB GLU A 33 -22.700 -23.599 3.680 1.00 50.00 C ATOM 492 CG GLU A 33 -23.908 -24.324 4.275 1.00 50.00 C ATOM 493 CD GLU A 33 -25.184 -23.836 3.587 1.00 50.00 C ATOM 494 OE1 GLU A 33 -25.080 -22.970 2.734 1.00 50.00 O ATOM 495 OE2 GLU A 33 -26.245 -24.336 3.925 1.00 50.00 O ATOM 0 H GLU A 33 -20.970 -25.286 4.225 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.837 -25.059 2.098 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -21.970 -23.387 4.461 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.008 -22.640 3.262 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -23.800 -25.401 4.144 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.966 -24.137 5.347 1.00 50.00 H new ATOM 502 N ALA A 34 -20.227 -23.068 1.867 1.00 16.66 N ATOM 503 CA ALA A 34 -19.525 -22.193 0.889 1.00 16.66 C ATOM 504 C ALA A 34 -19.038 -23.049 -0.277 1.00 16.66 C ATOM 505 O ALA A 34 -19.084 -22.648 -1.422 1.00 16.66 O ATOM 506 CB ALA A 34 -18.330 -21.520 1.566 1.00 50.00 C ATOM 0 H ALA A 34 -19.735 -23.223 2.747 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.207 -21.424 0.525 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.818 -20.880 0.848 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.679 -20.918 2.405 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.641 -22.282 1.929 1.00 50.00 H new ATOM 512 N LEU A 35 -18.563 -24.226 0.013 1.00 99.99 N ATOM 513 CA LEU A 35 -18.061 -25.117 -1.067 1.00 99.99 C ATOM 514 C LEU A 35 -19.192 -25.429 -2.049 1.00 99.99 C ATOM 515 O LEU A 35 -18.960 -25.638 -3.223 1.00 99.99 O ATOM 516 CB LEU A 35 -17.545 -26.417 -0.452 1.00 99.99 C ATOM 517 CG LEU A 35 -16.087 -26.235 -0.021 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.535 -27.570 0.484 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.253 -25.758 -1.211 1.00 99.99 C ATOM 0 H LEU A 35 -18.501 -24.611 0.956 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.252 -24.618 -1.600 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.157 -26.694 0.406 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.623 -27.230 -1.174 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.037 -25.493 0.776 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.497 -27.442 0.791 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.126 -27.910 1.335 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.588 -28.311 -0.314 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.216 -25.630 -0.900 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.303 -26.497 -2.010 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.644 -24.807 -1.571 1.00 99.99 H new ATOM 531 N LYS A 36 -20.412 -25.471 -1.584 1.00 99.99 N ATOM 532 CA LYS A 36 -21.545 -25.776 -2.504 1.00 99.99 C ATOM 533 C LYS A 36 -21.374 -24.993 -3.806 1.00 99.99 C ATOM 534 O LYS A 36 -21.851 -25.392 -4.849 1.00 99.99 O ATOM 535 CB LYS A 36 -22.864 -25.375 -1.838 1.00 99.99 C ATOM 536 CG LYS A 36 -23.816 -26.572 -1.825 1.00 99.99 C ATOM 537 CD LYS A 36 -25.060 -26.227 -1.002 1.00 99.99 C ATOM 538 CE LYS A 36 -24.980 -26.924 0.359 1.00 99.99 C ATOM 539 NZ LYS A 36 -25.573 -28.288 0.254 1.00 99.99 N ATOM 0 H LYS A 36 -20.672 -25.308 -0.611 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.556 -26.844 -2.723 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.680 -25.033 -0.820 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.317 -24.543 -2.377 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.102 -26.834 -2.844 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.316 -27.443 -1.401 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.132 -25.148 -0.866 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.959 -26.542 -1.532 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -23.942 -26.991 0.685 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.513 -26.341 1.110 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.519 -28.762 1.178 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.568 -28.212 -0.039 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -25.046 -28.842 -0.451 1.00 99.99 H new ATOM 553 N THR A 37 -20.697 -23.878 -3.755 1.00 99.99 N ATOM 554 CA THR A 37 -20.497 -23.071 -4.989 1.00 99.99 C ATOM 555 C THR A 37 -19.914 -23.960 -6.088 1.00 99.99 C ATOM 556 O THR A 37 -20.071 -23.697 -7.264 1.00 99.99 O ATOM 557 CB THR A 37 -19.534 -21.917 -4.690 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.611 -20.955 -5.732 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.102 -22.449 -4.587 1.00 99.99 C ATOM 0 H THR A 37 -20.274 -23.492 -2.911 1.00 99.99 H new ATOM 0 HA THR A 37 -21.452 -22.666 -5.323 1.00 99.99 H new ATOM 0 HB THR A 37 -19.811 -21.452 -3.744 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.737 -20.063 -5.345 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.422 -21.624 -4.374 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.044 -23.184 -3.784 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.820 -22.918 -5.529 1.00 99.99 H new ATOM 567 N LEU A 38 -19.243 -25.013 -5.713 1.00 16.66 N ATOM 568 CA LEU A 38 -18.654 -25.922 -6.735 1.00 16.66 C ATOM 569 C LEU A 38 -19.777 -26.531 -7.576 1.00 16.66 C ATOM 570 O LEU A 38 -19.612 -26.804 -8.748 1.00 16.66 O ATOM 571 CB LEU A 38 -17.875 -27.041 -6.040 1.00 50.00 C ATOM 572 CG LEU A 38 -16.597 -26.470 -5.425 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.305 -27.190 -4.108 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.427 -26.676 -6.389 1.00 50.00 C ATOM 0 H LEU A 38 -19.077 -25.283 -4.744 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.979 -25.357 -7.378 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.490 -27.499 -5.266 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.628 -27.825 -6.756 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.727 -25.404 -5.239 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.394 -26.786 -3.666 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -17.138 -27.043 -3.420 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -16.174 -28.256 -4.297 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.517 -26.268 -5.949 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.294 -27.741 -6.577 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -15.636 -26.165 -7.329 1.00 50.00 H new ATOM 586 N GLY A 39 -20.919 -26.745 -6.984 1.00 16.66 N ATOM 587 CA GLY A 39 -22.057 -27.334 -7.745 1.00 16.66 C ATOM 588 C GLY A 39 -21.741 -28.790 -8.096 1.00 16.66 C ATOM 589 O GLY A 39 -22.472 -29.434 -8.821 1.00 16.66 O ATOM 0 H GLY A 39 -21.114 -26.537 -6.005 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.970 -27.282 -7.152 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.235 -26.760 -8.655 1.00 16.66 H new ATOM 593 N SER A 40 -20.658 -29.312 -7.590 1.00 16.66 N ATOM 594 CA SER A 40 -20.300 -30.725 -7.900 1.00 16.66 C ATOM 595 C SER A 40 -19.413 -31.283 -6.785 1.00 16.66 C ATOM 596 O SER A 40 -18.308 -31.728 -7.024 1.00 16.66 O ATOM 597 CB SER A 40 -19.544 -30.775 -9.227 1.00 16.66 C ATOM 598 OG SER A 40 -20.402 -31.274 -10.243 1.00 16.66 O ATOM 0 H SER A 40 -20.007 -28.823 -6.976 1.00 16.66 H new ATOM 0 HA SER A 40 -21.208 -31.324 -7.974 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.189 -29.779 -9.493 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.665 -31.413 -9.133 1.00 16.66 H new ATOM 0 HG SER A 40 -21.299 -30.895 -10.129 1.00 16.66 H new ATOM 604 N ILE A 41 -19.887 -31.262 -5.570 1.00 16.66 N ATOM 605 CA ILE A 41 -19.069 -31.792 -4.443 1.00 16.66 C ATOM 606 C ILE A 41 -19.983 -32.496 -3.436 1.00 16.66 C ATOM 607 O ILE A 41 -21.192 -32.471 -3.556 1.00 16.66 O ATOM 608 CB ILE A 41 -18.329 -30.635 -3.757 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.146 -31.187 -2.958 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.278 -29.894 -2.808 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.132 -30.070 -2.712 1.00 16.66 C ATOM 0 H ILE A 41 -20.805 -30.901 -5.309 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.340 -32.506 -4.825 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.969 -29.943 -4.518 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.493 -31.593 -2.008 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.676 -32.006 -3.503 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.744 -29.075 -2.326 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.120 -29.495 -3.374 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.645 -30.584 -2.049 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.289 -30.462 -2.143 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.777 -29.684 -3.668 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.606 -29.265 -2.150 1.00 16.66 H new ATOM 623 N THR A 42 -19.414 -33.120 -2.444 1.00 16.66 N ATOM 624 CA THR A 42 -20.244 -33.821 -1.426 1.00 16.66 C ATOM 625 C THR A 42 -19.841 -33.330 -0.040 1.00 16.66 C ATOM 626 O THR A 42 -18.806 -32.717 0.133 1.00 16.66 O ATOM 627 CB THR A 42 -20.015 -35.341 -1.506 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.255 -35.770 -0.383 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.259 -35.695 -2.788 1.00 16.66 C ATOM 0 H THR A 42 -18.407 -33.175 -2.294 1.00 16.66 H new ATOM 0 HA THR A 42 -21.297 -33.610 -1.614 1.00 16.66 H new ATOM 0 HB THR A 42 -20.983 -35.841 -1.510 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.718 -36.551 -0.631 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.103 -36.773 -2.833 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.840 -35.376 -3.653 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.294 -35.188 -2.793 1.00 16.66 H new ATOM 637 N PRO A 43 -20.663 -33.627 0.970 1.00 16.66 N ATOM 638 CA PRO A 43 -20.374 -33.237 2.347 1.00 16.66 C ATOM 639 C PRO A 43 -19.189 -34.037 2.882 1.00 16.66 C ATOM 640 O PRO A 43 -18.405 -33.559 3.677 1.00 16.66 O ATOM 641 CB PRO A 43 -21.651 -33.606 3.102 1.00 50.00 C ATOM 642 CG PRO A 43 -22.272 -34.685 2.280 1.00 50.00 C ATOM 643 CD PRO A 43 -21.931 -34.367 0.851 1.00 50.00 C ATOM 0 HA PRO A 43 -20.112 -32.184 2.448 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.429 -33.954 4.111 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.317 -32.748 3.199 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.885 -35.664 2.565 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.352 -34.714 2.426 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.816 -35.271 0.253 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.706 -33.766 0.375 1.00 50.00 H new ATOM 651 N ASP A 44 -19.065 -35.262 2.450 1.00 16.66 N ATOM 652 CA ASP A 44 -17.944 -36.118 2.926 1.00 16.66 C ATOM 653 C ASP A 44 -16.608 -35.543 2.455 1.00 16.66 C ATOM 654 O ASP A 44 -15.580 -35.779 3.059 1.00 16.66 O ATOM 655 CB ASP A 44 -18.112 -37.532 2.372 1.00 50.00 C ATOM 656 CG ASP A 44 -19.377 -38.163 2.956 1.00 50.00 C ATOM 657 OD1 ASP A 44 -19.898 -37.619 3.916 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.804 -39.181 2.434 1.00 50.00 O ATOM 0 H ASP A 44 -19.696 -35.708 1.784 1.00 16.66 H new ATOM 0 HA ASP A 44 -17.956 -36.146 4.016 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.177 -37.502 1.284 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.241 -38.138 2.623 1.00 50.00 H new ATOM 663 N GLU A 45 -16.600 -34.786 1.390 1.00 16.66 N ATOM 664 CA GLU A 45 -15.316 -34.207 0.911 1.00 16.66 C ATOM 665 C GLU A 45 -15.021 -32.953 1.724 1.00 16.66 C ATOM 666 O GLU A 45 -13.889 -32.661 2.057 1.00 16.66 O ATOM 667 CB GLU A 45 -15.437 -33.844 -0.570 1.00 16.66 C ATOM 668 CG GLU A 45 -15.528 -35.124 -1.403 1.00 16.66 C ATOM 669 CD GLU A 45 -15.373 -34.780 -2.886 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.236 -33.606 -3.190 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.394 -35.696 -3.692 1.00 16.66 O ATOM 0 H GLU A 45 -17.422 -34.546 0.836 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.510 -34.930 1.032 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.321 -33.228 -0.733 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.575 -33.254 -0.883 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.751 -35.825 -1.098 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.486 -35.615 -1.231 1.00 16.66 H new ATOM 678 N VAL A 46 -16.041 -32.214 2.055 1.00 16.66 N ATOM 679 CA VAL A 46 -15.837 -30.979 2.858 1.00 16.66 C ATOM 680 C VAL A 46 -15.373 -31.365 4.262 1.00 16.66 C ATOM 681 O VAL A 46 -14.568 -30.692 4.872 1.00 16.66 O ATOM 682 CB VAL A 46 -17.155 -30.210 2.951 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.013 -29.070 3.963 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.502 -29.639 1.577 1.00 50.00 C ATOM 0 H VAL A 46 -17.009 -32.413 1.803 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.084 -30.351 2.382 1.00 16.66 H new ATOM 0 HB VAL A 46 -17.949 -30.881 3.277 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -17.953 -28.522 4.028 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.763 -29.481 4.941 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.221 -28.394 3.641 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.441 -29.090 1.638 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.709 -28.966 1.252 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.604 -30.453 0.860 1.00 50.00 H new ATOM 694 N LYS A 47 -15.875 -32.454 4.773 1.00 16.66 N ATOM 695 CA LYS A 47 -15.465 -32.897 6.134 1.00 16.66 C ATOM 696 C LYS A 47 -13.986 -33.274 6.112 1.00 16.66 C ATOM 697 O LYS A 47 -13.249 -32.994 7.037 1.00 16.66 O ATOM 698 CB LYS A 47 -16.293 -34.113 6.551 1.00 16.66 C ATOM 699 CG LYS A 47 -17.721 -33.673 6.886 1.00 16.66 C ATOM 700 CD LYS A 47 -18.500 -34.864 7.449 1.00 16.66 C ATOM 701 CE LYS A 47 -19.959 -34.461 7.672 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.119 -33.923 9.054 1.00 50.00 N ATOM 0 H LYS A 47 -16.552 -33.057 4.306 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.630 -32.088 6.846 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.308 -34.848 5.747 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -15.838 -34.596 7.416 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.702 -32.860 7.612 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.215 -33.291 5.993 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.446 -35.706 6.759 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.055 -35.192 8.388 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.256 -33.709 6.941 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.612 -35.322 7.527 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.110 -33.649 9.207 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -19.851 -34.654 9.744 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -19.507 -33.091 9.176 1.00 50.00 H new ATOM 716 N HIS A 48 -13.545 -33.905 5.062 1.00 16.66 N ATOM 717 CA HIS A 48 -12.112 -34.296 4.977 1.00 16.66 C ATOM 718 C HIS A 48 -11.251 -33.039 4.870 1.00 16.66 C ATOM 719 O HIS A 48 -10.169 -32.968 5.420 1.00 16.66 O ATOM 720 CB HIS A 48 -11.891 -35.172 3.745 1.00 16.66 C ATOM 721 CG HIS A 48 -10.446 -35.586 3.680 1.00 16.66 C ATOM 722 ND1 HIS A 48 -9.765 -35.705 2.480 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.540 -35.908 4.660 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.505 -36.085 2.764 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.315 -36.224 4.079 1.00 50.00 N ATOM 0 H HIS A 48 -14.115 -34.167 4.258 1.00 16.66 H new ATOM 0 HA HIS A 48 -11.834 -34.855 5.871 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.531 -36.053 3.792 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.165 -34.626 2.843 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.746 -35.915 5.720 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -7.741 -36.256 2.020 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.457 -36.502 4.555 1.00 50.00 H new ATOM 733 N MET A 49 -11.721 -32.041 4.171 1.00 16.66 N ATOM 734 CA MET A 49 -10.925 -30.793 4.041 1.00 16.66 C ATOM 735 C MET A 49 -10.721 -30.194 5.429 1.00 16.66 C ATOM 736 O MET A 49 -9.632 -29.803 5.798 1.00 16.66 O ATOM 737 CB MET A 49 -11.678 -29.797 3.158 1.00 16.66 C ATOM 738 CG MET A 49 -11.310 -30.038 1.692 1.00 16.66 C ATOM 739 SD MET A 49 -11.339 -28.467 0.795 1.00 16.66 S ATOM 740 CE MET A 49 -12.240 -29.054 -0.661 1.00 16.66 C ATOM 0 H MET A 49 -12.619 -32.038 3.687 1.00 16.66 H new ATOM 0 HA MET A 49 -9.959 -31.013 3.587 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.753 -29.910 3.298 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.425 -28.776 3.445 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.320 -30.489 1.624 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.012 -30.739 1.241 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.373 -28.231 -1.363 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.674 -29.852 -1.141 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.216 -29.433 -0.357 1.00 16.66 H new ATOM 750 N MET A 50 -11.767 -30.126 6.201 1.00 16.66 N ATOM 751 CA MET A 50 -11.645 -29.560 7.568 1.00 16.66 C ATOM 752 C MET A 50 -10.693 -30.428 8.386 1.00 16.66 C ATOM 753 O MET A 50 -9.791 -29.940 9.035 1.00 16.66 O ATOM 754 CB MET A 50 -13.023 -29.541 8.226 1.00 16.66 C ATOM 755 CG MET A 50 -13.811 -28.336 7.713 1.00 16.66 C ATOM 756 SD MET A 50 -15.208 -28.016 8.818 1.00 16.66 S ATOM 757 CE MET A 50 -14.250 -27.394 10.220 1.00 50.00 C ATOM 0 H MET A 50 -12.703 -30.439 5.942 1.00 16.66 H new ATOM 0 HA MET A 50 -11.254 -28.544 7.518 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.559 -30.463 8.001 1.00 16.66 H new ATOM 0 HB3 MET A 50 -12.920 -29.488 9.310 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.165 -27.460 7.663 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.170 -28.526 6.701 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.881 -26.754 10.837 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.891 -28.233 10.816 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.399 -26.820 9.853 1.00 50.00 H new ATOM 767 N ALA A 51 -10.883 -31.716 8.355 1.00 16.66 N ATOM 768 CA ALA A 51 -9.985 -32.621 9.126 1.00 16.66 C ATOM 769 C ALA A 51 -8.546 -32.424 8.649 1.00 16.66 C ATOM 770 O ALA A 51 -7.601 -32.779 9.327 1.00 16.66 O ATOM 771 CB ALA A 51 -10.407 -34.074 8.899 1.00 50.00 C ATOM 0 H ALA A 51 -11.622 -32.183 7.829 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.053 -32.389 10.189 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.750 -34.736 9.463 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.435 -34.211 9.234 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.337 -34.312 7.838 1.00 50.00 H new ATOM 777 N GLU A 52 -8.370 -31.858 7.486 1.00 16.66 N ATOM 778 CA GLU A 52 -6.993 -31.634 6.965 1.00 16.66 C ATOM 779 C GLU A 52 -6.579 -30.189 7.245 1.00 16.66 C ATOM 780 O GLU A 52 -5.437 -29.905 7.547 1.00 16.66 O ATOM 781 CB GLU A 52 -6.970 -31.892 5.458 1.00 16.66 C ATOM 782 CG GLU A 52 -6.814 -33.391 5.200 1.00 16.66 C ATOM 783 CD GLU A 52 -6.232 -33.612 3.802 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.040 -32.633 3.100 1.00 16.66 O ATOM 785 OE2 GLU A 52 -5.988 -34.757 3.457 1.00 16.66 O ATOM 0 H GLU A 52 -9.122 -31.541 6.874 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.298 -32.315 7.457 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.890 -31.527 5.002 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.147 -31.345 4.997 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.160 -33.834 5.951 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.780 -33.888 5.286 1.00 16.66 H new ATOM 792 N ILE A 53 -7.504 -29.277 7.150 1.00 16.66 N ATOM 793 CA ILE A 53 -7.181 -27.850 7.413 1.00 16.66 C ATOM 794 C ILE A 53 -7.201 -27.587 8.919 1.00 16.66 C ATOM 795 O ILE A 53 -6.458 -26.772 9.429 1.00 16.66 O ATOM 796 CB ILE A 53 -8.227 -26.976 6.732 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.189 -27.225 5.225 1.00 16.66 C ATOM 798 CG2 ILE A 53 -7.927 -25.508 7.026 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.306 -26.433 4.550 1.00 50.00 C ATOM 0 H ILE A 53 -8.476 -29.461 6.900 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.190 -27.618 7.023 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.219 -27.222 7.111 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.222 -26.927 4.821 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.307 -28.289 5.018 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.674 -24.880 6.540 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -7.956 -25.339 8.102 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -6.937 -25.256 6.645 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.279 -26.610 3.475 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.270 -26.753 4.947 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.168 -25.370 4.746 1.00 50.00 H new ATOM 811 N ASP A 54 -8.043 -28.277 9.634 1.00 16.66 N ATOM 812 CA ASP A 54 -8.120 -28.084 11.105 1.00 16.66 C ATOM 813 C ASP A 54 -6.754 -28.397 11.722 1.00 16.66 C ATOM 814 O ASP A 54 -6.380 -29.542 11.885 1.00 16.66 O ATOM 815 CB ASP A 54 -9.180 -29.039 11.657 1.00 16.66 C ATOM 816 CG ASP A 54 -9.722 -28.511 12.988 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.252 -27.479 13.429 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.607 -29.147 13.537 1.00 16.66 O ATOM 0 H ASP A 54 -8.687 -28.973 9.257 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.389 -27.056 11.348 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -9.994 -29.145 10.940 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.749 -30.030 11.798 1.00 16.66 H new ATOM 823 N THR A 55 -5.998 -27.384 12.047 1.00 16.66 N ATOM 824 CA THR A 55 -4.644 -27.611 12.632 1.00 16.66 C ATOM 825 C THR A 55 -4.756 -28.202 14.039 1.00 16.66 C ATOM 826 O THR A 55 -4.082 -29.154 14.376 1.00 16.66 O ATOM 827 CB THR A 55 -3.894 -26.280 12.700 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.658 -25.347 13.451 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.677 -25.745 11.284 1.00 50.00 C ATOM 0 H THR A 55 -6.260 -26.405 11.932 1.00 16.66 H new ATOM 0 HA THR A 55 -4.102 -28.314 12.000 1.00 16.66 H new ATOM 0 HB THR A 55 -2.928 -26.429 13.182 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.603 -25.607 13.432 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.142 -24.796 11.331 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.092 -26.463 10.710 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.642 -25.594 10.800 1.00 50.00 H new ATOM 837 N ASP A 56 -5.592 -27.643 14.866 1.00 16.66 N ATOM 838 CA ASP A 56 -5.730 -28.178 16.251 1.00 16.66 C ATOM 839 C ASP A 56 -6.761 -29.309 16.260 1.00 16.66 C ATOM 840 O ASP A 56 -6.594 -30.312 16.924 1.00 16.66 O ATOM 841 CB ASP A 56 -6.172 -27.054 17.196 1.00 16.66 C ATOM 842 CG ASP A 56 -7.674 -26.809 17.049 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.074 -26.301 16.015 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.399 -27.137 17.973 1.00 16.66 O ATOM 0 H ASP A 56 -6.184 -26.842 14.646 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.770 -28.568 16.590 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.938 -27.321 18.227 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.622 -26.140 16.970 1.00 16.66 H new ATOM 849 N GLY A 57 -7.817 -29.156 15.514 1.00 16.66 N ATOM 850 CA GLY A 57 -8.851 -30.227 15.463 1.00 16.66 C ATOM 851 C GLY A 57 -10.057 -29.848 16.328 1.00 16.66 C ATOM 852 O GLY A 57 -10.758 -30.706 16.828 1.00 16.66 O ATOM 0 H GLY A 57 -8.010 -28.337 14.937 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.170 -30.384 14.433 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.426 -31.168 15.813 1.00 16.66 H new ATOM 856 N ASP A 58 -10.322 -28.581 16.505 1.00 16.66 N ATOM 857 CA ASP A 58 -11.501 -28.191 17.331 1.00 16.66 C ATOM 858 C ASP A 58 -12.770 -28.335 16.488 1.00 16.66 C ATOM 859 O ASP A 58 -13.869 -28.121 16.960 1.00 16.66 O ATOM 860 CB ASP A 58 -11.359 -26.742 17.811 1.00 50.00 C ATOM 861 CG ASP A 58 -11.519 -25.783 16.630 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.952 -26.058 15.589 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.204 -24.787 16.792 1.00 50.00 O ATOM 0 H ASP A 58 -9.780 -27.808 16.119 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.560 -28.841 18.204 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.111 -26.526 18.570 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.384 -26.598 18.278 1.00 50.00 H new ATOM 868 N GLY A 59 -12.627 -28.705 15.242 1.00 16.66 N ATOM 869 CA GLY A 59 -13.823 -28.873 14.371 1.00 16.66 C ATOM 870 C GLY A 59 -14.018 -27.620 13.515 1.00 16.66 C ATOM 871 O GLY A 59 -14.914 -27.554 12.697 1.00 16.66 O ATOM 0 H GLY A 59 -11.732 -28.898 14.792 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.699 -29.747 13.731 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.708 -29.049 14.982 1.00 16.66 H new ATOM 875 N PHE A 60 -13.199 -26.620 13.700 1.00 16.66 N ATOM 876 CA PHE A 60 -13.366 -25.380 12.894 1.00 16.66 C ATOM 877 C PHE A 60 -12.017 -24.856 12.389 1.00 16.66 C ATOM 878 O PHE A 60 -10.954 -25.131 12.942 1.00 16.66 O ATOM 879 CB PHE A 60 -14.026 -24.301 13.750 1.00 50.00 C ATOM 880 CG PHE A 60 -15.223 -24.882 14.460 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.473 -24.884 13.832 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.084 -25.415 15.745 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.584 -25.420 14.490 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.195 -25.951 16.404 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.446 -25.953 15.777 1.00 50.00 C ATOM 0 H PHE A 60 -12.429 -26.609 14.368 1.00 16.66 H new ATOM 0 HA PHE A 60 -13.990 -25.620 12.033 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.313 -23.912 14.477 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.333 -23.463 13.124 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.580 -24.472 12.839 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.118 -25.413 16.229 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.549 -25.423 14.005 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.087 -26.363 17.396 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.305 -26.366 16.286 1.00 50.00 H new ATOM 895 N ILE A 61 -12.062 -24.081 11.337 1.00 16.66 N ATOM 896 CA ILE A 61 -10.821 -23.505 10.772 1.00 16.66 C ATOM 897 C ILE A 61 -10.813 -21.998 11.048 1.00 16.66 C ATOM 898 O ILE A 61 -11.772 -21.305 10.773 1.00 16.66 O ATOM 899 CB ILE A 61 -10.789 -23.747 9.264 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.105 -25.217 8.974 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.399 -23.405 8.723 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.068 -26.111 9.660 1.00 16.66 C ATOM 0 H ILE A 61 -12.918 -23.824 10.845 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.949 -23.973 11.229 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.533 -23.115 8.779 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.105 -25.462 9.332 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.099 -25.395 7.899 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.375 -23.577 7.647 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.176 -22.358 8.928 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.654 -24.036 9.208 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.295 -27.157 9.452 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.074 -25.873 9.280 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.096 -25.941 10.736 1.00 16.66 H new ATOM 914 N SER A 62 -9.739 -21.483 11.576 1.00 16.66 N ATOM 915 CA SER A 62 -9.673 -20.025 11.853 1.00 16.66 C ATOM 916 C SER A 62 -8.937 -19.344 10.703 1.00 16.66 C ATOM 917 O SER A 62 -8.337 -19.994 9.870 1.00 16.66 O ATOM 918 CB SER A 62 -8.916 -19.785 13.161 1.00 16.66 C ATOM 919 OG SER A 62 -9.487 -20.578 14.192 1.00 16.66 O ATOM 0 H SER A 62 -8.903 -22.011 11.828 1.00 16.66 H new ATOM 0 HA SER A 62 -10.679 -19.617 11.945 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.863 -20.037 13.035 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.962 -18.730 13.432 1.00 16.66 H new ATOM 0 HG SER A 62 -9.001 -20.425 15.029 1.00 16.66 H new ATOM 925 N PHE A 63 -8.974 -18.045 10.641 1.00 16.66 N ATOM 926 CA PHE A 63 -8.270 -17.352 9.532 1.00 16.66 C ATOM 927 C PHE A 63 -6.809 -17.789 9.531 1.00 16.66 C ATOM 928 O PHE A 63 -6.229 -18.067 8.501 1.00 16.66 O ATOM 929 CB PHE A 63 -8.342 -15.841 9.719 1.00 16.66 C ATOM 930 CG PHE A 63 -7.652 -15.187 8.551 1.00 16.66 C ATOM 931 CD1 PHE A 63 -8.071 -15.481 7.250 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.591 -14.303 8.764 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.429 -14.889 6.158 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.948 -13.709 7.672 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.368 -14.003 6.368 1.00 16.66 C ATOM 0 H PHE A 63 -9.457 -17.438 11.304 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.746 -17.611 8.586 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.380 -15.515 9.778 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.863 -15.551 10.654 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.891 -16.165 7.088 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.268 -14.078 9.770 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.753 -15.116 5.153 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.129 -13.024 7.834 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.872 -13.545 5.525 1.00 16.66 H new ATOM 945 N GLN A 64 -6.214 -17.855 10.687 1.00 16.66 N ATOM 946 CA GLN A 64 -4.793 -18.276 10.772 1.00 16.66 C ATOM 947 C GLN A 64 -4.651 -19.695 10.214 1.00 16.66 C ATOM 948 O GLN A 64 -3.767 -19.979 9.431 1.00 16.66 O ATOM 949 CB GLN A 64 -4.360 -18.254 12.237 1.00 16.66 C ATOM 950 CG GLN A 64 -2.849 -18.475 12.330 1.00 16.66 C ATOM 951 CD GLN A 64 -2.120 -17.242 11.792 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.173 -16.183 12.387 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.436 -17.334 10.685 1.00 50.00 N ATOM 0 H GLN A 64 -6.654 -17.634 11.580 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.166 -17.598 10.193 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.627 -17.300 12.691 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.886 -19.030 12.794 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.560 -18.659 13.365 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.564 -19.358 11.758 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.391 -18.222 10.185 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.946 -16.518 10.319 1.00 50.00 H new ATOM 962 N GLU A 65 -5.520 -20.588 10.610 1.00 16.66 N ATOM 963 CA GLU A 65 -5.442 -21.983 10.101 1.00 16.66 C ATOM 964 C GLU A 65 -5.639 -21.974 8.586 1.00 16.66 C ATOM 965 O GLU A 65 -4.904 -22.596 7.846 1.00 16.66 O ATOM 966 CB GLU A 65 -6.545 -22.822 10.751 1.00 16.66 C ATOM 967 CG GLU A 65 -6.129 -23.223 12.171 1.00 16.66 C ATOM 968 CD GLU A 65 -7.242 -24.054 12.823 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.384 -23.866 12.466 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.936 -24.863 13.668 1.00 16.66 O ATOM 0 H GLU A 65 -6.281 -20.408 11.265 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.469 -22.410 10.343 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.475 -22.254 10.782 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.736 -23.713 10.153 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.204 -23.798 12.140 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.931 -22.332 12.767 1.00 16.66 H new ATOM 977 N PHE A 66 -6.631 -21.266 8.122 1.00 16.66 N ATOM 978 CA PHE A 66 -6.888 -21.205 6.655 1.00 16.66 C ATOM 979 C PHE A 66 -5.671 -20.602 5.955 1.00 16.66 C ATOM 980 O PHE A 66 -5.264 -21.044 4.900 1.00 16.66 O ATOM 981 CB PHE A 66 -8.114 -20.330 6.393 1.00 16.66 C ATOM 982 CG PHE A 66 -8.492 -20.412 4.933 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.895 -19.548 4.007 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.440 -21.349 4.507 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.248 -19.622 2.654 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.793 -21.423 3.155 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.197 -20.560 2.228 1.00 16.66 C ATOM 0 H PHE A 66 -7.277 -20.725 8.697 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.069 -22.209 6.271 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.947 -20.659 7.014 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.901 -19.297 6.666 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.163 -18.825 4.336 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.899 -22.015 5.222 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.789 -18.956 1.939 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.525 -22.146 2.827 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.469 -20.617 1.184 1.00 16.66 H new ATOM 997 N THR A 67 -5.085 -19.595 6.540 1.00 16.66 N ATOM 998 CA THR A 67 -3.892 -18.961 5.917 1.00 16.66 C ATOM 999 C THR A 67 -2.745 -19.972 5.883 1.00 16.66 C ATOM 1000 O THR A 67 -2.090 -20.151 4.874 1.00 16.66 O ATOM 1001 CB THR A 67 -3.473 -17.742 6.743 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.430 -16.706 6.573 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.101 -17.254 6.277 1.00 50.00 C ATOM 0 H THR A 67 -5.382 -19.183 7.425 1.00 16.66 H new ATOM 0 HA THR A 67 -4.133 -18.645 4.902 1.00 16.66 H new ATOM 0 HB THR A 67 -3.418 -18.018 7.796 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.213 -16.889 7.132 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.804 -16.386 6.866 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.368 -18.050 6.408 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.152 -16.978 5.224 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.498 -20.637 6.978 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.396 -21.638 7.010 1.00 25.00 C ATOM 1013 C ASP A 68 -1.646 -22.706 5.944 1.00 25.00 C ATOM 1014 O ASP A 68 -0.733 -23.173 5.293 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.343 -22.295 8.390 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.983 -21.245 9.443 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.560 -20.168 9.056 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.137 -21.536 10.617 1.00 50.00 O ATOM 0 H ASP A 68 -3.012 -20.530 7.852 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.447 -21.140 6.809 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.306 -22.747 8.626 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.605 -23.097 8.394 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.877 -23.093 5.761 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.192 -24.125 4.740 1.00 25.00 C ATOM 1025 C PHE A 69 -3.176 -23.466 3.356 1.00 25.00 C ATOM 1026 O PHE A 69 -2.770 -24.061 2.378 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.574 -24.725 5.065 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.322 -25.067 3.800 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -5.892 -24.045 3.040 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.439 -26.398 3.391 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.584 -24.351 1.864 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.129 -26.708 2.216 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.703 -25.684 1.450 1.00 50.00 C ATOM 0 H PHE A 69 -3.681 -22.736 6.278 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.455 -24.928 4.745 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.452 -25.621 5.674 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.154 -24.015 5.655 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.799 -23.018 3.360 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -4.997 -27.186 3.982 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.026 -23.561 1.276 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.220 -27.736 1.898 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.236 -25.922 0.542 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.612 -22.239 3.271 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.617 -21.539 1.955 1.00 16.66 C ATOM 1045 C GLY A 70 -2.194 -21.505 1.395 1.00 16.66 C ATOM 1046 O GLY A 70 -1.986 -21.506 0.197 1.00 16.66 O ATOM 0 H GLY A 70 -3.965 -21.691 4.056 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.282 -22.052 1.260 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -3.999 -20.525 2.071 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.212 -21.480 2.253 1.00 25.00 N ATOM 1051 CA ARG A 71 0.199 -21.452 1.773 1.00 25.00 C ATOM 1052 C ARG A 71 0.556 -22.817 1.184 1.00 25.00 C ATOM 1053 O ARG A 71 1.371 -22.926 0.290 1.00 25.00 O ATOM 1054 CB ARG A 71 1.130 -21.141 2.946 1.00 50.00 C ATOM 1055 CG ARG A 71 0.788 -19.763 3.513 1.00 50.00 C ATOM 1056 CD ARG A 71 1.714 -19.451 4.691 1.00 50.00 C ATOM 1057 NE ARG A 71 1.570 -20.510 5.729 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.250 -20.431 6.840 1.00 50.00 C ATOM 1059 NH1 ARG A 71 1.703 -19.910 7.904 1.00 50.00 N ATOM 1060 NH2 ARG A 71 3.477 -20.874 6.887 1.00 50.00 N ATOM 0 H ARG A 71 -1.325 -21.478 3.267 1.00 25.00 H new ATOM 0 HA ARG A 71 0.312 -20.683 1.009 1.00 25.00 H new ATOM 0 HB2 ARG A 71 1.025 -21.901 3.720 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.169 -21.163 2.616 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.897 -19.003 2.740 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.252 -19.740 3.838 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.748 -19.398 4.351 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.468 -18.477 5.113 1.00 50.00 H new ATOM 0 HE ARG A 71 0.940 -21.297 5.571 1.00 50.00 H new ATOM 0 HH11 ARG A 71 0.744 -19.565 7.867 1.00 50.00 H new ATOM 0 HH12 ARG A 71 2.234 -19.848 8.772 1.00 50.00 H new ATOM 0 HH21 ARG A 71 3.904 -21.282 6.055 1.00 50.00 H new ATOM 0 HH22 ARG A 71 4.009 -20.812 7.755 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.053 -23.859 1.677 1.00 25.00 N ATOM 1075 CA ALA A 72 0.243 -25.218 1.147 1.00 25.00 C ATOM 1076 C ALA A 72 -0.330 -25.345 -0.266 1.00 25.00 C ATOM 1077 O ALA A 72 0.087 -26.181 -1.043 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.401 -26.268 2.054 1.00 50.00 C ATOM 0 H ALA A 72 -0.745 -23.827 2.426 1.00 25.00 H new ATOM 0 HA ALA A 72 1.321 -25.374 1.119 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.185 -27.264 1.668 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.003 -26.175 3.062 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.480 -26.114 2.079 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.283 -24.520 -0.604 1.00 25.00 N ATOM 1085 CA ASN A 73 -1.884 -24.590 -1.966 1.00 25.00 C ATOM 1086 C ASN A 73 -2.406 -23.207 -2.360 1.00 25.00 C ATOM 1087 O ASN A 73 -3.565 -23.039 -2.684 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.040 -25.591 -1.962 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.712 -26.746 -1.014 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -1.814 -27.522 -1.272 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.407 -26.892 0.079 1.00 50.00 N ATOM 0 H ASN A 73 -1.672 -23.800 0.005 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.129 -24.912 -2.683 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -3.960 -25.099 -1.648 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.210 -25.971 -2.970 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.197 -27.658 0.718 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.161 -26.240 0.295 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.558 -22.216 -2.334 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.005 -20.846 -2.706 1.00 25.00 C ATOM 1100 C ARG A 74 -2.770 -20.922 -4.021 1.00 25.00 C ATOM 1101 O ARG A 74 -3.763 -20.250 -4.221 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.788 -19.934 -2.872 1.00 25.00 C ATOM 1103 CG ARG A 74 0.093 -20.462 -4.007 1.00 25.00 C ATOM 1104 CD ARG A 74 1.448 -19.754 -3.972 1.00 25.00 C ATOM 1105 NE ARG A 74 2.258 -20.285 -2.841 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.266 -19.597 -2.379 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.726 -18.580 -3.054 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.814 -19.926 -1.241 1.00 50.00 N ATOM 0 H ARG A 74 -0.576 -22.296 -2.071 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.648 -20.441 -1.924 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -1.110 -18.916 -3.091 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.219 -19.896 -1.943 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.230 -21.538 -3.904 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.393 -20.293 -4.968 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.975 -19.908 -4.914 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.306 -18.679 -3.858 1.00 25.00 H new ATOM 0 HE ARG A 74 2.025 -21.188 -2.427 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.298 -18.322 -3.943 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.514 -18.042 -2.693 1.00 50.00 H new ATOM 0 HH21 ARG A 74 3.454 -20.721 -0.713 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.602 -19.388 -0.880 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.315 -21.747 -4.918 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.007 -21.889 -6.224 1.00 25.00 C ATOM 1124 C GLY A 75 -4.458 -22.312 -5.985 1.00 25.00 C ATOM 1125 O GLY A 75 -5.346 -21.986 -6.747 1.00 25.00 O ATOM 0 H GLY A 75 -1.488 -22.333 -4.801 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.976 -20.946 -6.769 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.497 -22.630 -6.840 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.703 -23.034 -4.926 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.093 -23.479 -4.629 1.00 25.00 C ATOM 1131 C LEU A 76 -6.939 -22.272 -4.227 1.00 25.00 C ATOM 1132 O LEU A 76 -8.054 -22.100 -4.680 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.072 -24.490 -3.481 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.606 -25.851 -4.001 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.574 -26.854 -2.846 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.575 -26.345 -5.078 1.00 50.00 C ATOM 0 H LEU A 76 -3.999 -23.335 -4.253 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.522 -23.945 -5.516 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.405 -24.144 -2.691 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.066 -24.578 -3.043 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.607 -25.755 -4.427 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.242 -27.824 -3.216 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -4.884 -26.503 -2.078 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.573 -26.950 -2.420 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.243 -27.315 -5.449 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.574 -26.442 -4.652 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.599 -25.631 -5.901 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.418 -21.439 -3.373 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.186 -20.243 -2.929 1.00 25.00 C ATOM 1150 C LEU A 77 -7.440 -19.316 -4.119 1.00 25.00 C ATOM 1151 O LEU A 77 -8.360 -18.524 -4.113 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.387 -19.497 -1.858 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.257 -20.380 -0.616 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.718 -19.548 0.549 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.630 -20.944 -0.246 1.00 50.00 C ATOM 0 H LEU A 77 -5.490 -21.534 -2.961 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.143 -20.562 -2.516 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.399 -19.239 -2.239 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -6.885 -18.562 -1.603 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.570 -21.200 -0.825 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.626 -20.178 1.434 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.740 -19.145 0.287 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.404 -18.727 0.758 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -7.538 -21.573 0.639 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.316 -20.123 -0.038 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -8.015 -21.538 -1.075 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.633 -19.405 -5.142 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.838 -18.526 -6.327 1.00 25.00 C ATOM 1169 C LYS A 78 -7.952 -19.101 -7.202 1.00 25.00 C ATOM 1170 O LYS A 78 -8.525 -18.416 -8.026 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.542 -18.449 -7.134 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.478 -17.708 -6.321 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.341 -17.272 -7.246 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.616 -18.510 -7.779 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.041 -18.209 -9.121 1.00 50.00 N ATOM 0 H LYS A 78 -5.843 -20.047 -5.208 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.118 -17.527 -5.994 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.194 -19.452 -7.380 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.719 -17.933 -8.078 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.918 -16.838 -5.833 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.092 -18.354 -5.533 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.736 -16.684 -8.074 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.643 -16.633 -6.706 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -1.825 -18.806 -7.090 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.309 -19.349 -7.848 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.548 -19.050 -9.484 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.806 -17.946 -9.775 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.368 -17.420 -9.041 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.265 -20.356 -7.031 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.342 -20.976 -7.853 1.00 25.00 C ATOM 1191 C ASP A 79 -10.701 -20.650 -7.234 1.00 25.00 C ATOM 1192 O ASP A 79 -11.687 -20.483 -7.924 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.149 -22.492 -7.883 1.00 25.00 C ATOM 1194 CG ASP A 79 -8.392 -22.884 -9.154 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -8.082 -21.998 -9.933 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -8.138 -24.064 -9.328 1.00 50.00 O ATOM 0 H ASP A 79 -7.821 -20.979 -6.357 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.299 -20.583 -8.869 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.595 -22.816 -7.002 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -10.116 -22.993 -7.854 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.758 -20.553 -5.936 1.00 25.00 N ATOM 1202 CA VAL A 80 -12.050 -20.232 -5.268 1.00 25.00 C ATOM 1203 C VAL A 80 -12.236 -18.716 -5.239 1.00 25.00 C ATOM 1204 O VAL A 80 -13.344 -18.214 -5.226 1.00 25.00 O ATOM 1205 CB VAL A 80 -12.032 -20.771 -3.837 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -13.425 -20.632 -3.223 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.625 -22.246 -3.852 1.00 50.00 C ATOM 0 H VAL A 80 -9.965 -20.682 -5.308 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.871 -20.692 -5.817 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.315 -20.203 -3.244 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -13.413 -21.016 -2.203 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.714 -19.581 -3.212 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -14.142 -21.200 -3.816 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.612 -22.630 -2.832 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -12.341 -22.815 -4.445 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.632 -22.345 -4.290 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.159 -17.982 -5.228 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.270 -16.496 -5.199 1.00 25.00 C ATOM 1219 C ALA A 81 -11.961 -16.008 -6.474 1.00 25.00 C ATOM 1220 O ALA A 81 -12.422 -14.887 -6.552 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.872 -15.881 -5.111 1.00 50.00 C ATOM 0 H ALA A 81 -10.206 -18.346 -5.238 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.856 -16.195 -4.331 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -9.953 -14.794 -5.090 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.379 -16.226 -4.202 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.286 -16.184 -5.979 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.040 -16.843 -7.475 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.704 -16.424 -8.742 1.00 25.00 C ATOM 1229 C LYS A 82 -14.169 -16.862 -8.713 1.00 25.00 C ATOM 1230 O LYS A 82 -15.035 -16.203 -9.253 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.999 -17.082 -9.930 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.504 -16.757 -9.880 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.856 -17.138 -11.212 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.370 -16.773 -11.177 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.555 -17.978 -11.499 1.00 50.00 N ATOM 0 H LYS A 82 -11.674 -17.795 -7.470 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.648 -15.340 -8.843 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.149 -18.161 -9.903 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.429 -16.724 -10.866 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.358 -15.695 -9.683 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.029 -17.301 -9.063 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.975 -18.206 -11.395 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.351 -16.617 -12.032 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.163 -15.978 -11.894 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.101 -16.392 -10.192 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.545 -17.731 -11.475 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.745 -18.723 -10.799 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -7.805 -18.323 -12.448 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.451 -17.968 -8.085 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.858 -18.451 -8.018 1.00 25.00 C ATOM 1251 C ILE A 83 -16.730 -17.381 -7.362 1.00 25.00 C ATOM 1252 O ILE A 83 -17.873 -17.186 -7.725 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.916 -19.736 -7.190 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -15.079 -20.821 -7.873 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.370 -20.199 -7.076 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.409 -22.187 -7.265 1.00 50.00 C ATOM 0 H ILE A 83 -13.767 -18.560 -7.614 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.224 -18.652 -9.025 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.517 -19.549 -6.193 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.282 -20.830 -8.944 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -14.017 -20.605 -7.752 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.415 -21.115 -6.486 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.961 -19.424 -6.588 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.771 -20.389 -8.072 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.811 -22.957 -7.754 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -15.183 -22.175 -6.199 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.468 -22.403 -7.409 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.197 -16.688 -6.396 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.991 -15.630 -5.711 1.00 25.00 C ATOM 1270 C PHE A 84 -16.697 -14.274 -6.357 1.00 25.00 C ATOM 1271 O PHE A 84 -15.923 -14.244 -7.300 1.00 99.99 O ATOM 1272 CB PHE A 84 -16.605 -15.583 -4.232 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.964 -16.897 -3.579 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.054 -17.961 -3.601 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.206 -17.050 -2.952 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.389 -19.179 -2.996 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.539 -18.267 -2.346 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.631 -19.332 -2.369 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.252 -13.289 -5.899 1.00 25.00 O ATOM 0 H PHE A 84 -15.245 -16.808 -6.050 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.054 -15.854 -5.804 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.537 -15.393 -4.129 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.124 -14.763 -3.735 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.095 -17.843 -4.084 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.907 -16.229 -2.936 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.688 -20.001 -3.013 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.497 -18.384 -1.861 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.889 -20.272 -1.903 1.00 50.00 H new TER 1289 PHE A 84 HETATM 1290 CA CA A1085 -18.290 -19.534 11.992 1.00 14.39 CA HETATM 1291 CA CA A1086 -9.291 -25.304 14.245 1.00 13.26 CA