USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 16 GLN : amide:sc= -0.234 X(o=-2.1,f=-2.3) USER MOD Set 1.2: A 81 MET CE :methyl 170:sc= -1.83 (180deg=-2.31) USER MOD Set 2.1: A 69 SER OG : rot -89:sc= 1.09 USER MOD Set 2.2: A 71 THR OG1 : rot -48:sc= 0.299 USER MOD Set 3.1: A 45 MET CE :methyl 158:sc= -0.2 (180deg=-0.275) USER MOD Set 3.2: A 50 GLN :FLIP amide:sc= -0.188 F(o=-1.3,f=-0.39) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.715 K(o=-0.72,f=-3.6!) USER MOD Single : A 13 THR OG1 : rot 61:sc= 0.0633 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.126 X(o=0.13,f=-0.087) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.00238) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -2:sc= 0.221 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.02 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot -164:sc= -0.296 USER MOD Single : A 58 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.21) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 172:sc= -3.7! (180deg=-4.07!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -6.024 9.086 0.811 1.00 0.00 N ATOM 66 CA TYR A 5 -5.575 8.208 -0.276 1.00 0.00 C ATOM 67 C TYR A 5 -6.750 7.855 -1.190 1.00 0.00 C ATOM 68 O TYR A 5 -6.624 7.863 -2.416 1.00 0.00 O ATOM 69 CB TYR A 5 -4.982 6.909 0.286 1.00 0.00 C ATOM 70 CG TYR A 5 -3.549 7.135 0.713 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.259 8.044 1.738 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.511 6.439 0.084 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.936 8.257 2.131 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.186 6.650 0.479 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.897 7.560 1.503 1.00 0.00 C ATOM 76 OH TYR A 5 0.411 7.772 1.891 1.00 0.00 O ATOM 0 HA TYR A 5 -4.811 8.740 -0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.573 6.568 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.025 6.124 -0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.059 8.581 2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.733 5.738 -0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.714 8.960 2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.386 6.111 -0.006 1.00 0.00 H new ATOM 0 HH TYR A 5 1.007 7.208 1.355 1.00 0.00 H new ATOM 86 N LYS A 6 -7.897 7.554 -0.571 1.00 0.00 N ATOM 87 CA LYS A 6 -9.107 7.205 -1.320 1.00 0.00 C ATOM 88 C LYS A 6 -9.654 8.423 -2.066 1.00 0.00 C ATOM 89 O LYS A 6 -10.172 8.301 -3.176 1.00 0.00 O ATOM 90 CB LYS A 6 -10.191 6.672 -0.377 1.00 0.00 C ATOM 91 CG LYS A 6 -10.990 5.570 -1.081 1.00 0.00 C ATOM 92 CD LYS A 6 -10.368 4.204 -0.773 1.00 0.00 C ATOM 93 CE LYS A 6 -10.816 3.730 0.614 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.102 2.983 0.498 1.00 0.00 N ATOM 0 H LYS A 6 -8.012 7.545 0.442 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.838 6.432 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.735 6.280 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.856 7.482 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.028 5.591 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.996 5.743 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.668 3.479 -1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.281 4.273 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.051 3.091 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.939 4.585 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.404 2.663 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.830 3.606 0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.970 2.159 -0.122 1.00 0.00 H new ATOM 108 N ALA A 7 -9.532 9.602 -1.449 1.00 0.00 N ATOM 109 CA ALA A 7 -10.016 10.834 -2.073 1.00 0.00 C ATOM 110 C ALA A 7 -9.248 11.135 -3.366 1.00 0.00 C ATOM 111 O ALA A 7 -9.785 11.766 -4.277 1.00 0.00 O ATOM 112 CB ALA A 7 -9.863 12.020 -1.116 1.00 0.00 C ATOM 0 H ALA A 7 -9.108 9.728 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.070 10.688 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.228 12.926 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.440 11.833 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.812 12.145 -0.857 1.00 0.00 H new ATOM 118 N ALA A 8 -7.991 10.672 -3.442 1.00 0.00 N ATOM 119 CA ALA A 8 -7.167 10.901 -4.632 1.00 0.00 C ATOM 120 C ALA A 8 -7.668 10.060 -5.801 1.00 0.00 C ATOM 121 O ALA A 8 -7.820 10.561 -6.914 1.00 0.00 O ATOM 122 CB ALA A 8 -5.706 10.547 -4.352 1.00 0.00 C ATOM 0 H ALA A 8 -7.530 10.143 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.240 11.958 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.111 10.724 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.331 11.168 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.634 9.497 -4.070 1.00 0.00 H new ATOM 128 N VAL A 9 -7.937 8.779 -5.532 1.00 0.00 N ATOM 129 CA VAL A 9 -8.440 7.879 -6.569 1.00 0.00 C ATOM 130 C VAL A 9 -9.890 8.243 -6.929 1.00 0.00 C ATOM 131 O VAL A 9 -10.363 7.949 -8.029 1.00 0.00 O ATOM 132 CB VAL A 9 -8.351 6.421 -6.093 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.412 6.141 -5.024 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.558 5.475 -7.281 1.00 0.00 C ATOM 0 H VAL A 9 -7.816 8.347 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.825 7.989 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.364 6.255 -5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.335 5.104 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.253 6.802 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.404 6.318 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.494 4.442 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.540 5.652 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.787 5.658 -8.030 1.00 0.00 H new ATOM 144 N GLU A 10 -10.581 8.902 -5.990 1.00 0.00 N ATOM 145 CA GLU A 10 -11.962 9.326 -6.212 1.00 0.00 C ATOM 146 C GLU A 10 -12.013 10.647 -6.997 1.00 0.00 C ATOM 147 O GLU A 10 -13.040 10.975 -7.597 1.00 0.00 O ATOM 148 CB GLU A 10 -12.686 9.519 -4.875 1.00 0.00 C ATOM 149 CG GLU A 10 -13.082 8.156 -4.299 1.00 0.00 C ATOM 150 CD GLU A 10 -13.587 8.334 -2.868 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.758 8.636 -2.707 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.797 8.162 -1.956 1.00 0.00 O ATOM 0 H GLU A 10 -10.205 9.150 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.456 8.545 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.040 10.047 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.573 10.136 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.857 7.700 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.226 7.481 -4.313 1.00 0.00 H new ATOM 159 N GLN A 11 -10.906 11.411 -6.977 1.00 0.00 N ATOM 160 CA GLN A 11 -10.864 12.700 -7.680 1.00 0.00 C ATOM 161 C GLN A 11 -9.747 12.754 -8.741 1.00 0.00 C ATOM 162 O GLN A 11 -9.385 13.836 -9.213 1.00 0.00 O ATOM 163 CB GLN A 11 -10.669 13.843 -6.666 1.00 0.00 C ATOM 164 CG GLN A 11 -9.183 13.987 -6.293 1.00 0.00 C ATOM 165 CD GLN A 11 -9.041 14.504 -4.860 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.137 14.089 -4.135 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.882 15.394 -4.399 1.00 0.00 N ATOM 0 H GLN A 11 -10.045 11.162 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.815 12.816 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.036 14.778 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.257 13.646 -5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.682 13.024 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.693 14.673 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.633 15.742 -4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.786 15.740 -3.444 1.00 0.00 H new ATOM 176 N LEU A 12 -9.210 11.587 -9.120 1.00 0.00 N ATOM 177 CA LEU A 12 -8.139 11.543 -10.129 1.00 0.00 C ATOM 178 C LEU A 12 -8.686 11.870 -11.522 1.00 0.00 C ATOM 179 O LEU A 12 -9.898 11.993 -11.720 1.00 0.00 O ATOM 180 CB LEU A 12 -7.458 10.164 -10.171 1.00 0.00 C ATOM 181 CG LEU A 12 -8.369 8.948 -9.958 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.570 9.015 -10.905 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.578 7.666 -10.233 1.00 0.00 C ATOM 0 H LEU A 12 -9.491 10.677 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.402 12.293 -9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.964 10.056 -11.137 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.678 10.144 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.727 8.949 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.209 8.147 -10.744 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.138 9.925 -10.709 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.220 9.022 -11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.224 6.801 -10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.217 7.675 -11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.729 7.609 -9.551 1.00 0.00 H new ATOM 195 N THR A 13 -7.770 12.010 -12.483 1.00 0.00 N ATOM 196 CA THR A 13 -8.155 12.324 -13.863 1.00 0.00 C ATOM 197 C THR A 13 -8.385 11.045 -14.666 1.00 0.00 C ATOM 198 O THR A 13 -8.066 9.943 -14.215 1.00 0.00 O ATOM 199 CB THR A 13 -7.063 13.151 -14.564 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.823 13.002 -13.881 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.465 14.625 -14.583 1.00 0.00 C ATOM 0 H THR A 13 -6.766 11.912 -12.335 1.00 0.00 H new ATOM 0 HA THR A 13 -9.078 12.902 -13.818 1.00 0.00 H new ATOM 0 HB THR A 13 -6.950 12.793 -15.587 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.554 12.060 -13.894 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.689 15.207 -15.080 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.406 14.739 -15.122 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.587 14.982 -13.560 1.00 0.00 H new ATOM 209 N ASP A 14 -8.920 11.214 -15.880 1.00 0.00 N ATOM 210 CA ASP A 14 -9.164 10.074 -16.764 1.00 0.00 C ATOM 211 C ASP A 14 -7.832 9.543 -17.289 1.00 0.00 C ATOM 212 O ASP A 14 -7.675 8.343 -17.526 1.00 0.00 O ATOM 213 CB ASP A 14 -10.048 10.479 -17.947 1.00 0.00 C ATOM 214 CG ASP A 14 -10.696 9.235 -18.552 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.608 8.707 -17.939 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.268 8.830 -19.621 1.00 0.00 O ATOM 0 H ASP A 14 -9.189 12.118 -16.268 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.678 9.300 -16.194 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.817 11.178 -17.617 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.452 10.994 -18.700 1.00 0.00 H new ATOM 221 N GLU A 15 -6.871 10.462 -17.451 1.00 0.00 N ATOM 222 CA GLU A 15 -5.539 10.101 -17.927 1.00 0.00 C ATOM 223 C GLU A 15 -4.842 9.171 -16.929 1.00 0.00 C ATOM 224 O GLU A 15 -4.055 8.311 -17.320 1.00 0.00 O ATOM 225 CB GLU A 15 -4.691 11.363 -18.145 1.00 0.00 C ATOM 226 CG GLU A 15 -4.420 12.076 -16.811 1.00 0.00 C ATOM 227 CD GLU A 15 -2.930 12.004 -16.480 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.503 10.981 -15.969 1.00 0.00 O ATOM 229 OE2 GLU A 15 -2.240 12.974 -16.742 1.00 0.00 O ATOM 0 H GLU A 15 -6.995 11.456 -17.259 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.647 9.576 -18.876 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.746 11.094 -18.617 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.207 12.040 -18.826 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.738 13.117 -16.873 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.002 11.611 -16.015 1.00 0.00 H new ATOM 236 N GLN A 16 -5.154 9.349 -15.638 1.00 0.00 N ATOM 237 CA GLN A 16 -4.570 8.518 -14.585 1.00 0.00 C ATOM 238 C GLN A 16 -5.241 7.146 -14.568 1.00 0.00 C ATOM 239 O GLN A 16 -4.574 6.118 -14.430 1.00 0.00 O ATOM 240 CB GLN A 16 -4.748 9.178 -13.215 1.00 0.00 C ATOM 241 CG GLN A 16 -3.503 10.003 -12.880 1.00 0.00 C ATOM 242 CD GLN A 16 -3.865 11.102 -11.885 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.618 12.281 -12.139 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.439 10.786 -10.756 1.00 0.00 N ATOM 0 H GLN A 16 -5.805 10.059 -15.302 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.506 8.406 -14.793 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.631 9.818 -13.220 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.910 8.417 -12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.731 9.359 -12.460 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.092 10.443 -13.788 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.644 9.810 -10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.682 11.515 -10.086 1.00 0.00 H new ATOM 253 N LYS A 17 -6.571 7.144 -14.726 1.00 0.00 N ATOM 254 CA LYS A 17 -7.335 5.894 -14.750 1.00 0.00 C ATOM 255 C LYS A 17 -6.837 5.003 -15.887 1.00 0.00 C ATOM 256 O LYS A 17 -6.656 3.799 -15.715 1.00 0.00 O ATOM 257 CB LYS A 17 -8.829 6.171 -14.957 1.00 0.00 C ATOM 258 CG LYS A 17 -9.423 6.802 -13.695 1.00 0.00 C ATOM 259 CD LYS A 17 -10.638 7.656 -14.071 1.00 0.00 C ATOM 260 CE LYS A 17 -11.847 6.750 -14.327 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.958 7.555 -14.913 1.00 0.00 N ATOM 0 H LYS A 17 -7.134 7.987 -14.838 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.194 5.394 -13.792 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.969 6.838 -15.808 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.351 5.243 -15.190 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.717 6.024 -12.991 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.674 7.417 -13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.862 8.360 -13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.419 8.246 -14.961 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.572 5.942 -15.005 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.172 6.287 -13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.778 6.940 -15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.226 8.311 -14.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.645 7.976 -15.811 1.00 0.00 H new ATOM 275 N ASN A 18 -6.603 5.623 -17.048 1.00 0.00 N ATOM 276 CA ASN A 18 -6.108 4.895 -18.218 1.00 0.00 C ATOM 277 C ASN A 18 -4.596 4.658 -18.117 1.00 0.00 C ATOM 278 O ASN A 18 -4.066 3.734 -18.734 1.00 0.00 O ATOM 279 CB ASN A 18 -6.408 5.680 -19.500 1.00 0.00 C ATOM 280 CG ASN A 18 -7.831 5.379 -19.960 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.053 4.457 -20.744 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.818 6.106 -19.512 1.00 0.00 N ATOM 0 H ASN A 18 -6.748 6.621 -17.201 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.617 3.932 -18.250 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.291 6.749 -19.320 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.697 5.408 -20.280 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.773 5.910 -19.812 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.634 6.870 -18.862 1.00 0.00 H new ATOM 289 N GLU A 19 -3.913 5.501 -17.330 1.00 0.00 N ATOM 290 CA GLU A 19 -2.463 5.380 -17.145 1.00 0.00 C ATOM 291 C GLU A 19 -2.100 3.982 -16.647 1.00 0.00 C ATOM 292 O GLU A 19 -1.276 3.290 -17.247 1.00 0.00 O ATOM 293 CB GLU A 19 -1.969 6.411 -16.123 1.00 0.00 C ATOM 294 CG GLU A 19 -0.452 6.566 -16.233 1.00 0.00 C ATOM 295 CD GLU A 19 -0.021 7.842 -15.516 1.00 0.00 C ATOM 296 OE1 GLU A 19 -0.115 8.899 -16.119 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.397 7.744 -14.373 1.00 0.00 O ATOM 0 H GLU A 19 -4.340 6.270 -16.814 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.986 5.558 -18.109 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.455 7.371 -16.298 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.239 6.095 -15.115 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.046 5.702 -15.793 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.154 6.606 -17.281 1.00 0.00 H new ATOM 304 N PHE A 20 -2.726 3.580 -15.539 1.00 0.00 N ATOM 305 CA PHE A 20 -2.467 2.266 -14.956 1.00 0.00 C ATOM 306 C PHE A 20 -3.266 1.179 -15.675 1.00 0.00 C ATOM 307 O PHE A 20 -2.743 0.103 -15.950 1.00 0.00 O ATOM 308 CB PHE A 20 -2.845 2.255 -13.476 1.00 0.00 C ATOM 309 CG PHE A 20 -1.743 2.891 -12.660 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.752 4.271 -12.424 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.719 2.099 -12.133 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.735 4.857 -11.661 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.299 2.681 -11.372 1.00 0.00 C ATOM 314 CZ PHE A 20 0.291 4.061 -11.133 1.00 0.00 C ATOM 0 H PHE A 20 -3.410 4.142 -15.032 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.402 2.062 -15.068 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.779 2.796 -13.326 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.013 1.231 -13.142 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.543 4.883 -12.830 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.714 1.034 -12.314 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.741 5.922 -11.479 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.091 2.067 -10.969 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.075 4.512 -10.542 1.00 0.00 H new ATOM 324 N LYS A 21 -4.540 1.468 -15.968 1.00 0.00 N ATOM 325 CA LYS A 21 -5.408 0.496 -16.647 1.00 0.00 C ATOM 326 C LYS A 21 -4.767 -0.017 -17.944 1.00 0.00 C ATOM 327 O LYS A 21 -4.953 -1.177 -18.314 1.00 0.00 O ATOM 328 CB LYS A 21 -6.771 1.125 -16.959 1.00 0.00 C ATOM 329 CG LYS A 21 -7.680 0.103 -17.655 1.00 0.00 C ATOM 330 CD LYS A 21 -7.721 0.385 -19.162 1.00 0.00 C ATOM 331 CE LYS A 21 -8.810 1.418 -19.466 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.141 0.744 -19.524 1.00 0.00 N ATOM 0 H LYS A 21 -4.990 2.357 -15.749 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.545 -0.350 -15.974 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.239 1.471 -16.038 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.639 1.999 -17.597 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.312 -0.907 -17.475 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.686 0.155 -17.239 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.752 0.754 -19.499 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.918 -0.537 -19.709 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.816 2.191 -18.697 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.601 1.913 -20.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.893 1.447 -19.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.264 0.299 -20.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.194 0.016 -18.783 1.00 0.00 H new ATOM 346 N ALA A 22 -4.006 0.848 -18.625 1.00 0.00 N ATOM 347 CA ALA A 22 -3.338 0.455 -19.871 1.00 0.00 C ATOM 348 C ALA A 22 -2.349 -0.681 -19.603 1.00 0.00 C ATOM 349 O ALA A 22 -2.440 -1.755 -20.201 1.00 0.00 O ATOM 350 CB ALA A 22 -2.584 1.639 -20.477 1.00 0.00 C ATOM 0 H ALA A 22 -3.839 1.813 -18.339 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.102 0.120 -20.572 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.096 1.326 -21.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.285 2.445 -20.693 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.832 1.992 -19.771 1.00 0.00 H new ATOM 356 N ALA A 23 -1.414 -0.430 -18.679 1.00 0.00 N ATOM 357 CA ALA A 23 -0.415 -1.434 -18.309 1.00 0.00 C ATOM 358 C ALA A 23 -1.098 -2.627 -17.641 1.00 0.00 C ATOM 359 O ALA A 23 -0.704 -3.776 -17.833 1.00 0.00 O ATOM 360 CB ALA A 23 0.611 -0.839 -17.338 1.00 0.00 C ATOM 0 H ALA A 23 -1.330 0.454 -18.178 1.00 0.00 H new ATOM 0 HA ALA A 23 0.095 -1.759 -19.216 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.346 -1.600 -17.074 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.115 0.003 -17.812 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.103 -0.497 -16.436 1.00 0.00 H new ATOM 366 N PHE A 24 -2.136 -2.330 -16.861 1.00 0.00 N ATOM 367 CA PHE A 24 -2.895 -3.367 -16.167 1.00 0.00 C ATOM 368 C PHE A 24 -3.510 -4.347 -17.168 1.00 0.00 C ATOM 369 O PHE A 24 -3.433 -5.558 -16.987 1.00 0.00 O ATOM 370 CB PHE A 24 -4.020 -2.728 -15.340 1.00 0.00 C ATOM 371 CG PHE A 24 -4.539 -3.712 -14.317 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.402 -4.741 -14.709 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.161 -3.591 -12.976 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.885 -5.647 -13.762 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.643 -4.496 -12.029 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.504 -5.524 -12.420 1.00 0.00 C ATOM 0 H PHE A 24 -2.470 -1.381 -16.694 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.212 -3.906 -15.511 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.650 -1.833 -14.840 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.831 -2.414 -15.997 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.695 -4.835 -15.744 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.495 -2.796 -12.673 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.551 -6.441 -14.064 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.350 -4.401 -10.994 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.876 -6.224 -11.687 1.00 0.00 H new ATOM 386 N ASP A 25 -4.130 -3.801 -18.219 1.00 0.00 N ATOM 387 CA ASP A 25 -4.782 -4.626 -19.244 1.00 0.00 C ATOM 388 C ASP A 25 -3.788 -5.533 -19.981 1.00 0.00 C ATOM 389 O ASP A 25 -4.095 -6.694 -20.262 1.00 0.00 O ATOM 390 CB ASP A 25 -5.498 -3.738 -20.267 1.00 0.00 C ATOM 391 CG ASP A 25 -6.610 -4.532 -20.950 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.310 -5.240 -21.899 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.745 -4.421 -20.516 1.00 0.00 O ATOM 0 H ASP A 25 -4.195 -2.796 -18.383 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.502 -5.260 -18.726 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.915 -2.861 -19.772 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.787 -3.377 -21.010 1.00 0.00 H new ATOM 398 N ILE A 26 -2.609 -4.998 -20.306 1.00 0.00 N ATOM 399 CA ILE A 26 -1.598 -5.784 -21.030 1.00 0.00 C ATOM 400 C ILE A 26 -0.954 -6.841 -20.124 1.00 0.00 C ATOM 401 O ILE A 26 -0.681 -7.958 -20.565 1.00 0.00 O ATOM 402 CB ILE A 26 -0.506 -4.878 -21.627 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.134 -4.020 -20.526 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.132 -3.966 -22.687 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.266 -3.171 -21.111 1.00 0.00 C ATOM 0 H ILE A 26 -2.330 -4.042 -20.086 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.116 -6.292 -21.844 1.00 0.00 H new ATOM 0 HB ILE A 26 0.265 -5.500 -22.081 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.619 -3.374 -20.074 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.522 -4.661 -19.734 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.363 -3.322 -23.113 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.574 -4.575 -23.476 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.906 -3.351 -22.227 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.713 -2.567 -20.322 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.025 -3.824 -21.542 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.867 -2.517 -21.887 1.00 0.00 H new ATOM 417 N PHE A 27 -0.712 -6.483 -18.857 1.00 0.00 N ATOM 418 CA PHE A 27 -0.099 -7.422 -17.911 1.00 0.00 C ATOM 419 C PHE A 27 -1.084 -8.524 -17.499 1.00 0.00 C ATOM 420 O PHE A 27 -0.678 -9.666 -17.273 1.00 0.00 O ATOM 421 CB PHE A 27 0.409 -6.689 -16.662 1.00 0.00 C ATOM 422 CG PHE A 27 1.603 -5.832 -17.032 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.621 -6.355 -17.844 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.687 -4.512 -16.574 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.715 -5.557 -18.196 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.784 -3.718 -16.927 1.00 0.00 C ATOM 427 CZ PHE A 27 3.797 -4.239 -17.738 1.00 0.00 C ATOM 0 H PHE A 27 -0.927 -5.565 -18.468 1.00 0.00 H new ATOM 0 HA PHE A 27 0.747 -7.886 -18.419 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.383 -6.068 -16.244 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.689 -7.409 -15.893 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.560 -7.374 -18.197 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.906 -4.106 -15.948 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.497 -5.960 -18.822 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.848 -2.700 -16.572 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.642 -3.624 -18.010 1.00 0.00 H new ATOM 437 N ILE A 28 -2.379 -8.185 -17.420 1.00 0.00 N ATOM 438 CA ILE A 28 -3.396 -9.184 -17.053 1.00 0.00 C ATOM 439 C ILE A 28 -4.013 -9.837 -18.302 1.00 0.00 C ATOM 440 O ILE A 28 -4.944 -10.638 -18.193 1.00 0.00 O ATOM 441 CB ILE A 28 -4.519 -8.567 -16.197 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.347 -7.574 -17.029 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.911 -7.840 -14.995 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.565 -8.288 -17.620 1.00 0.00 C ATOM 0 H ILE A 28 -2.742 -7.249 -17.600 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.885 -9.946 -16.464 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.172 -9.368 -15.851 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.669 -6.741 -16.404 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.735 -7.155 -17.828 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.708 -7.405 -14.392 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.344 -8.548 -14.391 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.248 -7.049 -15.345 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.150 -7.582 -18.209 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.233 -9.106 -18.259 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.181 -8.685 -16.813 1.00 0.00 H new ATOM 456 N GLN A 29 -3.480 -9.495 -19.487 1.00 0.00 N ATOM 457 CA GLN A 29 -3.979 -10.055 -20.749 1.00 0.00 C ATOM 458 C GLN A 29 -4.015 -11.586 -20.692 1.00 0.00 C ATOM 459 O GLN A 29 -4.954 -12.215 -21.184 1.00 0.00 O ATOM 460 CB GLN A 29 -3.077 -9.617 -21.909 1.00 0.00 C ATOM 461 CG GLN A 29 -3.543 -10.275 -23.211 1.00 0.00 C ATOM 462 CD GLN A 29 -2.742 -9.714 -24.383 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.958 -10.431 -25.006 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.893 -8.463 -24.724 1.00 0.00 N ATOM 0 H GLN A 29 -2.708 -8.837 -19.595 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.992 -9.683 -20.906 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.102 -8.532 -22.011 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.043 -9.894 -21.701 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.412 -11.355 -23.152 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.607 -10.091 -23.363 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.542 -7.869 -24.208 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.362 -8.080 -25.506 1.00 0.00 H new ATOM 473 N ASP A 30 -2.982 -12.172 -20.082 1.00 0.00 N ATOM 474 CA ASP A 30 -2.894 -13.630 -19.960 1.00 0.00 C ATOM 475 C ASP A 30 -3.143 -14.086 -18.513 1.00 0.00 C ATOM 476 O ASP A 30 -2.715 -15.172 -18.111 1.00 0.00 O ATOM 477 CB ASP A 30 -1.510 -14.111 -20.413 1.00 0.00 C ATOM 478 CG ASP A 30 -1.412 -14.031 -21.935 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.136 -12.953 -22.438 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.614 -15.050 -22.576 1.00 0.00 O ATOM 0 H ASP A 30 -2.200 -11.665 -19.668 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.664 -14.065 -20.597 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.733 -13.498 -19.956 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.344 -15.136 -20.081 1.00 0.00 H new ATOM 485 N ALA A 31 -3.850 -13.253 -17.738 1.00 0.00 N ATOM 486 CA ALA A 31 -4.161 -13.582 -16.347 1.00 0.00 C ATOM 487 C ALA A 31 -5.586 -14.126 -16.241 1.00 0.00 C ATOM 488 O ALA A 31 -6.434 -13.851 -17.092 1.00 0.00 O ATOM 489 CB ALA A 31 -4.030 -12.342 -15.457 1.00 0.00 C ATOM 0 H ALA A 31 -4.214 -12.353 -18.051 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.453 -14.340 -16.011 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.265 -12.607 -14.426 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.010 -11.962 -15.510 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.722 -11.573 -15.801 1.00 0.00 H new ATOM 495 N GLU A 32 -5.835 -14.902 -15.186 1.00 0.00 N ATOM 496 CA GLU A 32 -7.163 -15.488 -14.974 1.00 0.00 C ATOM 497 C GLU A 32 -7.816 -14.958 -13.688 1.00 0.00 C ATOM 498 O GLU A 32 -8.765 -15.558 -13.176 1.00 0.00 O ATOM 499 CB GLU A 32 -7.057 -17.015 -14.889 1.00 0.00 C ATOM 500 CG GLU A 32 -6.711 -17.585 -16.269 1.00 0.00 C ATOM 501 CD GLU A 32 -5.922 -18.881 -16.106 1.00 0.00 C ATOM 502 OE1 GLU A 32 -6.546 -19.928 -16.039 1.00 0.00 O ATOM 503 OE2 GLU A 32 -4.705 -18.808 -16.052 1.00 0.00 O ATOM 0 H GLU A 32 -5.146 -15.139 -14.472 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.786 -15.203 -15.822 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.292 -17.297 -14.166 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.999 -17.436 -14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.623 -17.772 -16.835 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.126 -16.861 -16.836 1.00 0.00 H new ATOM 510 N ASP A 33 -7.307 -13.832 -13.168 1.00 0.00 N ATOM 511 CA ASP A 33 -7.863 -13.249 -11.940 1.00 0.00 C ATOM 512 C ASP A 33 -7.961 -11.715 -12.023 1.00 0.00 C ATOM 513 O ASP A 33 -8.214 -11.055 -11.013 1.00 0.00 O ATOM 514 CB ASP A 33 -6.993 -13.626 -10.736 1.00 0.00 C ATOM 515 CG ASP A 33 -7.059 -15.135 -10.504 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.999 -15.576 -9.863 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.170 -15.826 -10.973 1.00 0.00 O ATOM 0 H ASP A 33 -6.525 -13.315 -13.570 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.869 -13.652 -11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.961 -13.320 -10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.336 -13.097 -9.847 1.00 0.00 H new ATOM 522 N GLY A 34 -7.768 -11.153 -13.227 1.00 0.00 N ATOM 523 CA GLY A 34 -7.842 -9.699 -13.412 1.00 0.00 C ATOM 524 C GLY A 34 -6.885 -8.969 -12.468 1.00 0.00 C ATOM 525 O GLY A 34 -7.268 -8.003 -11.807 1.00 0.00 O ATOM 0 H GLY A 34 -7.562 -11.678 -14.077 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.599 -9.449 -14.445 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.862 -9.359 -13.233 1.00 0.00 H new ATOM 529 N CYS A 35 -5.639 -9.450 -12.414 1.00 0.00 N ATOM 530 CA CYS A 35 -4.617 -8.852 -11.551 1.00 0.00 C ATOM 531 C CYS A 35 -3.238 -9.024 -12.178 1.00 0.00 C ATOM 532 O CYS A 35 -2.957 -10.046 -12.811 1.00 0.00 O ATOM 533 CB CYS A 35 -4.610 -9.523 -10.171 1.00 0.00 C ATOM 534 SG CYS A 35 -6.187 -9.231 -9.333 1.00 0.00 S ATOM 0 H CYS A 35 -5.315 -10.250 -12.957 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.851 -7.793 -11.439 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.439 -10.594 -10.279 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.791 -9.129 -9.570 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.945 -8.487 -10.082 1.00 0.00 H new ATOM 540 N ILE A 36 -2.371 -8.027 -11.989 1.00 0.00 N ATOM 541 CA ILE A 36 -1.014 -8.104 -12.542 1.00 0.00 C ATOM 542 C ILE A 36 -0.113 -8.863 -11.569 1.00 0.00 C ATOM 543 O ILE A 36 -0.470 -9.071 -10.410 1.00 0.00 O ATOM 544 CB ILE A 36 -0.425 -6.704 -12.811 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.015 -6.048 -11.495 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.473 -5.818 -13.493 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.539 -6.149 -11.354 1.00 0.00 C ATOM 0 H ILE A 36 -2.576 -7.174 -11.469 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.067 -8.630 -13.495 1.00 0.00 H new ATOM 0 HB ILE A 36 0.441 -6.813 -13.463 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.293 -5.003 -11.477 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.472 -6.538 -10.652 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.049 -4.831 -13.680 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.771 -6.270 -14.439 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.345 -5.722 -12.846 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.850 -5.683 -10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.836 -7.198 -11.352 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.016 -5.638 -12.190 1.00 0.00 H new ATOM 559 N SER A 37 1.059 -9.274 -12.049 1.00 0.00 N ATOM 560 CA SER A 37 1.996 -10.006 -11.201 1.00 0.00 C ATOM 561 C SER A 37 2.960 -9.039 -10.517 1.00 0.00 C ATOM 562 O SER A 37 3.768 -8.381 -11.175 1.00 0.00 O ATOM 563 CB SER A 37 2.798 -11.016 -12.028 1.00 0.00 C ATOM 564 OG SER A 37 3.633 -11.776 -11.162 1.00 0.00 O ATOM 0 H SER A 37 1.379 -9.116 -13.005 1.00 0.00 H new ATOM 0 HA SER A 37 1.420 -10.540 -10.445 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.122 -11.676 -12.572 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.403 -10.496 -12.771 1.00 0.00 H new ATOM 0 HG SER A 37 4.146 -12.424 -11.688 1.00 0.00 H new ATOM 570 N THR A 38 2.866 -8.968 -9.184 1.00 0.00 N ATOM 571 CA THR A 38 3.744 -8.086 -8.399 1.00 0.00 C ATOM 572 C THR A 38 5.210 -8.375 -8.727 1.00 0.00 C ATOM 573 O THR A 38 6.043 -7.467 -8.766 1.00 0.00 O ATOM 574 CB THR A 38 3.522 -8.292 -6.892 1.00 0.00 C ATOM 575 OG1 THR A 38 3.788 -9.647 -6.550 1.00 0.00 O ATOM 576 CG2 THR A 38 2.077 -7.950 -6.530 1.00 0.00 C ATOM 0 H THR A 38 2.199 -9.504 -8.629 1.00 0.00 H new ATOM 0 HA THR A 38 3.501 -7.056 -8.659 1.00 0.00 H new ATOM 0 HB THR A 38 4.197 -7.638 -6.339 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.117 -9.693 -5.628 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.925 -8.098 -5.461 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.874 -6.910 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.400 -8.598 -7.086 1.00 0.00 H new ATOM 584 N LYS A 39 5.502 -9.655 -8.980 1.00 0.00 N ATOM 585 CA LYS A 39 6.862 -10.081 -9.330 1.00 0.00 C ATOM 586 C LYS A 39 7.262 -9.504 -10.689 1.00 0.00 C ATOM 587 O LYS A 39 8.427 -9.173 -10.919 1.00 0.00 O ATOM 588 CB LYS A 39 6.951 -11.611 -9.402 1.00 0.00 C ATOM 589 CG LYS A 39 6.402 -12.224 -8.111 1.00 0.00 C ATOM 590 CD LYS A 39 5.741 -13.570 -8.419 1.00 0.00 C ATOM 591 CE LYS A 39 6.792 -14.684 -8.367 1.00 0.00 C ATOM 592 NZ LYS A 39 6.868 -15.235 -6.983 1.00 0.00 N ATOM 0 H LYS A 39 4.819 -10.412 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 39 7.536 -9.715 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.385 -11.977 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.987 -11.918 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.208 -12.360 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.678 -11.548 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.948 -13.770 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.276 -13.541 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.533 -15.475 -9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.765 -14.295 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.582 -15.991 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.134 -14.478 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.941 -15.621 -6.712 1.00 0.00 H new ATOM 606 N GLU A 40 6.273 -9.379 -11.583 1.00 0.00 N ATOM 607 CA GLU A 40 6.516 -8.832 -12.920 1.00 0.00 C ATOM 608 C GLU A 40 6.189 -7.333 -12.972 1.00 0.00 C ATOM 609 O GLU A 40 5.975 -6.774 -14.051 1.00 0.00 O ATOM 610 CB GLU A 40 5.662 -9.564 -13.961 1.00 0.00 C ATOM 611 CG GLU A 40 6.106 -11.027 -14.063 1.00 0.00 C ATOM 612 CD GLU A 40 7.427 -11.113 -14.824 1.00 0.00 C ATOM 613 OE1 GLU A 40 7.388 -11.106 -16.044 1.00 0.00 O ATOM 614 OE2 GLU A 40 8.458 -11.185 -14.175 1.00 0.00 O ATOM 0 H GLU A 40 5.305 -9.647 -11.405 1.00 0.00 H new ATOM 0 HA GLU A 40 7.573 -8.974 -13.145 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.610 -9.513 -13.682 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.759 -9.077 -14.931 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.221 -11.452 -13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.342 -11.614 -14.573 1.00 0.00 H new ATOM 621 N LEU A 41 6.166 -6.678 -11.800 1.00 0.00 N ATOM 622 CA LEU A 41 5.878 -5.244 -11.745 1.00 0.00 C ATOM 623 C LEU A 41 7.048 -4.422 -12.301 1.00 0.00 C ATOM 624 O LEU A 41 6.900 -3.227 -12.561 1.00 0.00 O ATOM 625 CB LEU A 41 5.578 -4.795 -10.311 1.00 0.00 C ATOM 626 CG LEU A 41 4.674 -3.562 -10.203 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.636 -3.771 -9.096 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.526 -2.331 -9.881 1.00 0.00 C ATOM 0 H LEU A 41 6.341 -7.113 -10.894 1.00 0.00 H new ATOM 0 HA LEU A 41 4.997 -5.070 -12.363 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.109 -5.621 -9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.521 -4.583 -9.806 1.00 0.00 H new ATOM 0 HG LEU A 41 4.159 -3.411 -11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.997 -2.891 -9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.026 -4.644 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.145 -3.927 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.884 -1.454 -9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.045 -2.485 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.257 -2.177 -10.675 1.00 0.00 H new ATOM 640 N GLY A 42 8.206 -5.071 -12.508 1.00 0.00 N ATOM 641 CA GLY A 42 9.370 -4.379 -13.064 1.00 0.00 C ATOM 642 C GLY A 42 9.031 -3.797 -14.439 1.00 0.00 C ATOM 643 O GLY A 42 9.476 -2.704 -14.790 1.00 0.00 O ATOM 0 H GLY A 42 8.356 -6.058 -12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.684 -3.581 -12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.207 -5.072 -13.150 1.00 0.00 H new ATOM 647 N LYS A 43 8.212 -4.541 -15.200 1.00 0.00 N ATOM 648 CA LYS A 43 7.782 -4.095 -16.529 1.00 0.00 C ATOM 649 C LYS A 43 6.797 -2.922 -16.417 1.00 0.00 C ATOM 650 O LYS A 43 6.570 -2.194 -17.384 1.00 0.00 O ATOM 651 CB LYS A 43 7.106 -5.241 -17.293 1.00 0.00 C ATOM 652 CG LYS A 43 8.109 -6.376 -17.518 1.00 0.00 C ATOM 653 CD LYS A 43 7.437 -7.507 -18.302 1.00 0.00 C ATOM 654 CE LYS A 43 8.363 -8.728 -18.344 1.00 0.00 C ATOM 655 NZ LYS A 43 9.428 -8.519 -19.369 1.00 0.00 N ATOM 0 H LYS A 43 7.838 -5.447 -14.918 1.00 0.00 H new ATOM 0 HA LYS A 43 8.670 -3.771 -17.071 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.247 -5.608 -16.731 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.730 -4.880 -18.250 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.976 -6.006 -18.065 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.472 -6.749 -16.560 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.489 -7.773 -17.834 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.210 -7.175 -19.315 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.814 -8.888 -17.365 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.789 -9.624 -18.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.054 -9.349 -19.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.990 -8.387 -20.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.984 -7.674 -19.125 1.00 0.00 H new ATOM 669 N VAL A 44 6.223 -2.741 -15.220 1.00 0.00 N ATOM 670 CA VAL A 44 5.280 -1.650 -14.980 1.00 0.00 C ATOM 671 C VAL A 44 6.044 -0.367 -14.682 1.00 0.00 C ATOM 672 O VAL A 44 5.760 0.685 -15.252 1.00 0.00 O ATOM 673 CB VAL A 44 4.373 -1.957 -13.782 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.230 -0.943 -13.741 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.798 -3.371 -13.904 1.00 0.00 C ATOM 0 H VAL A 44 6.396 -3.335 -14.409 1.00 0.00 H new ATOM 0 HA VAL A 44 4.668 -1.536 -15.875 1.00 0.00 H new ATOM 0 HB VAL A 44 4.958 -1.891 -12.865 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.583 -1.158 -12.891 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.639 0.062 -13.641 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.652 -1.009 -14.663 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.156 -3.578 -13.048 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.215 -3.449 -14.822 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.613 -4.094 -13.929 1.00 0.00 H new ATOM 685 N MET A 45 7.020 -0.474 -13.773 1.00 0.00 N ATOM 686 CA MET A 45 7.834 0.679 -13.386 1.00 0.00 C ATOM 687 C MET A 45 8.497 1.309 -14.609 1.00 0.00 C ATOM 688 O MET A 45 8.522 2.529 -14.743 1.00 0.00 O ATOM 689 CB MET A 45 8.919 0.267 -12.383 1.00 0.00 C ATOM 690 CG MET A 45 8.815 1.138 -11.127 1.00 0.00 C ATOM 691 SD MET A 45 7.786 0.303 -9.894 1.00 0.00 S ATOM 692 CE MET A 45 6.386 1.449 -9.949 1.00 0.00 C ATOM 0 H MET A 45 7.263 -1.342 -13.296 1.00 0.00 H new ATOM 0 HA MET A 45 7.171 1.408 -12.920 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.804 -0.784 -12.119 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.905 0.377 -12.833 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.808 1.326 -10.719 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.385 2.107 -11.379 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.491 0.948 -9.580 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.600 2.316 -9.324 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.222 1.774 -10.976 1.00 0.00 H new ATOM 702 N ARG A 46 9.026 0.464 -15.506 1.00 0.00 N ATOM 703 CA ARG A 46 9.682 0.969 -16.723 1.00 0.00 C ATOM 704 C ARG A 46 8.694 1.765 -17.586 1.00 0.00 C ATOM 705 O ARG A 46 9.078 2.729 -18.253 1.00 0.00 O ATOM 706 CB ARG A 46 10.281 -0.180 -17.550 1.00 0.00 C ATOM 707 CG ARG A 46 9.192 -1.184 -17.934 1.00 0.00 C ATOM 708 CD ARG A 46 9.653 -2.012 -19.135 1.00 0.00 C ATOM 709 NE ARG A 46 8.561 -2.854 -19.630 1.00 0.00 N ATOM 710 CZ ARG A 46 8.683 -3.585 -20.747 1.00 0.00 C ATOM 711 NH1 ARG A 46 9.797 -3.571 -21.441 1.00 0.00 N ATOM 712 NH2 ARG A 46 7.679 -4.323 -21.147 1.00 0.00 N ATOM 0 H ARG A 46 9.014 -0.552 -15.417 1.00 0.00 H new ATOM 0 HA ARG A 46 10.490 1.629 -16.407 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.752 0.217 -18.449 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.061 -0.681 -16.977 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.974 -1.839 -17.091 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.268 -0.658 -18.176 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.998 -1.350 -19.929 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.500 -2.636 -18.850 1.00 0.00 H new ATOM 0 HE ARG A 46 7.684 -2.885 -19.110 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.583 -2.999 -21.132 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.877 -4.132 -22.289 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.812 -4.339 -20.610 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.763 -4.882 -21.996 1.00 0.00 H new ATOM 726 N MET A 47 7.419 1.361 -17.555 1.00 0.00 N ATOM 727 CA MET A 47 6.381 2.051 -18.324 1.00 0.00 C ATOM 728 C MET A 47 5.927 3.323 -17.601 1.00 0.00 C ATOM 729 O MET A 47 5.548 4.308 -18.237 1.00 0.00 O ATOM 730 CB MET A 47 5.167 1.140 -18.524 1.00 0.00 C ATOM 731 CG MET A 47 5.534 -0.022 -19.451 1.00 0.00 C ATOM 732 SD MET A 47 5.620 0.568 -21.161 1.00 0.00 S ATOM 733 CE MET A 47 7.243 -0.126 -21.565 1.00 0.00 C ATOM 0 H MET A 47 7.084 0.566 -17.010 1.00 0.00 H new ATOM 0 HA MET A 47 6.806 2.315 -19.292 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.827 0.756 -17.562 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.341 1.709 -18.950 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.492 -0.448 -19.154 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.792 -0.816 -19.367 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.499 0.123 -22.595 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.994 0.290 -20.893 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.214 -1.210 -21.450 1.00 0.00 H new ATOM 743 N LEU A 48 5.971 3.285 -16.262 1.00 0.00 N ATOM 744 CA LEU A 48 5.563 4.435 -15.449 1.00 0.00 C ATOM 745 C LEU A 48 6.636 5.529 -15.484 1.00 0.00 C ATOM 746 O LEU A 48 6.324 6.718 -15.391 1.00 0.00 O ATOM 747 CB LEU A 48 5.324 4.006 -13.996 1.00 0.00 C ATOM 748 CG LEU A 48 3.891 3.554 -13.661 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.309 2.738 -14.820 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.912 2.689 -12.397 1.00 0.00 C ATOM 0 H LEU A 48 6.283 2.476 -15.724 1.00 0.00 H new ATOM 0 HA LEU A 48 4.636 4.830 -15.866 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.007 3.190 -13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.585 4.839 -13.343 1.00 0.00 H new ATOM 0 HG LEU A 48 3.271 4.436 -13.498 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.295 2.424 -14.571 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.288 3.350 -15.722 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.929 1.858 -14.993 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.898 2.368 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.539 1.814 -12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.314 3.269 -11.566 1.00 0.00 H new ATOM 762 N GLY A 49 7.900 5.115 -15.638 1.00 0.00 N ATOM 763 CA GLY A 49 9.012 6.072 -15.706 1.00 0.00 C ATOM 764 C GLY A 49 10.114 5.786 -14.673 1.00 0.00 C ATOM 765 O GLY A 49 10.879 6.686 -14.319 1.00 0.00 O ATOM 0 H GLY A 49 8.177 4.136 -15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.444 6.048 -16.706 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.627 7.080 -15.549 1.00 0.00 H new ATOM 769 N GLN A 50 10.197 4.538 -14.196 1.00 0.00 N ATOM 770 CA GLN A 50 11.219 4.165 -13.208 1.00 0.00 C ATOM 771 C GLN A 50 11.863 2.824 -13.573 1.00 0.00 C ATOM 772 O GLN A 50 11.357 2.086 -14.417 1.00 0.00 O ATOM 773 CB GLN A 50 10.599 4.052 -11.813 1.00 0.00 C ATOM 774 CG GLN A 50 9.889 5.359 -11.454 1.00 0.00 C ATOM 775 CD GLN A 50 8.428 5.075 -11.127 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.503 5.431 -11.975 1.00 0.00 O flip ATOM 777 NE2 GLN A 50 8.116 4.518 -10.074 1.00 0.00 N flip ATOM 0 H GLN A 50 9.577 3.777 -14.473 1.00 0.00 H new ATOM 0 HA GLN A 50 11.981 4.944 -13.209 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.891 3.224 -11.786 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.373 3.834 -11.077 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.379 5.828 -10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.956 6.061 -12.285 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.839 4.239 -9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.135 4.335 -9.865 1.00 0.00 H new ATOM 786 N ASN A 51 12.987 2.518 -12.919 1.00 0.00 N ATOM 787 CA ASN A 51 13.696 1.259 -13.175 1.00 0.00 C ATOM 788 C ASN A 51 14.430 0.781 -11.912 1.00 0.00 C ATOM 789 O ASN A 51 15.661 0.812 -11.840 1.00 0.00 O ATOM 790 CB ASN A 51 14.703 1.420 -14.331 1.00 0.00 C ATOM 791 CG ASN A 51 15.455 2.751 -14.218 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.680 3.263 -13.120 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.869 3.345 -15.305 1.00 0.00 N ATOM 0 H ASN A 51 13.422 3.116 -12.216 1.00 0.00 H new ATOM 0 HA ASN A 51 12.954 0.512 -13.457 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.414 0.594 -14.318 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.178 1.374 -15.285 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.376 4.228 -15.242 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.686 2.926 -16.217 1.00 0.00 H new ATOM 800 N PRO A 52 13.671 0.335 -10.900 1.00 0.00 N ATOM 801 CA PRO A 52 14.247 -0.153 -9.629 1.00 0.00 C ATOM 802 C PRO A 52 14.692 -1.620 -9.703 1.00 0.00 C ATOM 803 O PRO A 52 14.904 -2.164 -10.788 1.00 0.00 O ATOM 804 CB PRO A 52 13.072 0.015 -8.668 1.00 0.00 C ATOM 805 CG PRO A 52 11.801 -0.018 -9.508 1.00 0.00 C ATOM 806 CD PRO A 52 12.196 0.286 -10.957 1.00 0.00 C ATOM 0 HA PRO A 52 15.151 0.383 -9.339 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.064 -0.783 -7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.150 0.956 -8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.321 -0.994 -9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.083 0.717 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.845 -0.487 -11.641 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.774 1.231 -11.300 1.00 0.00 H new ATOM 814 N THR A 53 14.822 -2.249 -8.531 1.00 0.00 N ATOM 815 CA THR A 53 15.233 -3.653 -8.452 1.00 0.00 C ATOM 816 C THR A 53 14.030 -4.514 -8.038 1.00 0.00 C ATOM 817 O THR A 53 12.959 -3.980 -7.742 1.00 0.00 O ATOM 818 CB THR A 53 16.373 -3.820 -7.425 1.00 0.00 C ATOM 819 OG1 THR A 53 15.829 -3.955 -6.119 1.00 0.00 O ATOM 820 CG2 THR A 53 17.297 -2.600 -7.458 1.00 0.00 C ATOM 0 H THR A 53 14.649 -1.809 -7.627 1.00 0.00 H new ATOM 0 HA THR A 53 15.594 -3.974 -9.429 1.00 0.00 H new ATOM 0 HB THR A 53 16.944 -4.713 -7.681 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.534 -3.807 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.097 -2.730 -6.729 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.727 -2.496 -8.454 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.726 -1.704 -7.214 1.00 0.00 H new ATOM 828 N PRO A 54 14.186 -5.847 -7.995 1.00 0.00 N ATOM 829 CA PRO A 54 13.082 -6.740 -7.595 1.00 0.00 C ATOM 830 C PRO A 54 12.824 -6.702 -6.087 1.00 0.00 C ATOM 831 O PRO A 54 11.693 -6.901 -5.639 1.00 0.00 O ATOM 832 CB PRO A 54 13.572 -8.108 -8.057 1.00 0.00 C ATOM 833 CG PRO A 54 15.088 -8.024 -8.154 1.00 0.00 C ATOM 834 CD PRO A 54 15.449 -6.545 -8.326 1.00 0.00 C ATOM 0 HA PRO A 54 12.125 -6.456 -8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.272 -8.884 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.137 -8.369 -9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.554 -8.432 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.453 -8.610 -8.998 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.259 -6.248 -7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.776 -6.326 -9.343 1.00 0.00 H new ATOM 842 N GLU A 55 13.878 -6.414 -5.313 1.00 0.00 N ATOM 843 CA GLU A 55 13.738 -6.317 -3.858 1.00 0.00 C ATOM 844 C GLU A 55 13.186 -4.939 -3.473 1.00 0.00 C ATOM 845 O GLU A 55 12.461 -4.805 -2.484 1.00 0.00 O ATOM 846 CB GLU A 55 15.080 -6.557 -3.147 1.00 0.00 C ATOM 847 CG GLU A 55 16.121 -5.530 -3.605 1.00 0.00 C ATOM 848 CD GLU A 55 17.353 -5.612 -2.708 1.00 0.00 C ATOM 849 OE1 GLU A 55 18.218 -6.425 -2.996 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.415 -4.860 -1.751 1.00 0.00 O ATOM 0 H GLU A 55 14.821 -6.247 -5.664 1.00 0.00 H new ATOM 0 HA GLU A 55 13.041 -7.092 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.944 -6.489 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.436 -7.565 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.401 -5.719 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.697 -4.526 -3.567 1.00 0.00 H new ATOM 857 N GLU A 56 13.532 -3.915 -4.272 1.00 0.00 N ATOM 858 CA GLU A 56 13.061 -2.553 -4.012 1.00 0.00 C ATOM 859 C GLU A 56 11.575 -2.431 -4.346 1.00 0.00 C ATOM 860 O GLU A 56 10.796 -1.892 -3.558 1.00 0.00 O ATOM 861 CB GLU A 56 13.848 -1.540 -4.852 1.00 0.00 C ATOM 862 CG GLU A 56 15.220 -1.297 -4.217 1.00 0.00 C ATOM 863 CD GLU A 56 15.746 0.070 -4.646 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.464 1.035 -3.954 1.00 0.00 O ATOM 865 OE2 GLU A 56 16.422 0.132 -5.659 1.00 0.00 O ATOM 0 H GLU A 56 14.130 -4.007 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 56 13.215 -2.341 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.968 -1.912 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.296 -0.602 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.143 -1.344 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.917 -2.078 -4.521 1.00 0.00 H new ATOM 872 N LEU A 57 11.188 -2.945 -5.522 1.00 0.00 N ATOM 873 CA LEU A 57 9.788 -2.895 -5.946 1.00 0.00 C ATOM 874 C LEU A 57 8.911 -3.737 -5.015 1.00 0.00 C ATOM 875 O LEU A 57 7.750 -3.401 -4.772 1.00 0.00 O ATOM 876 CB LEU A 57 9.638 -3.395 -7.391 1.00 0.00 C ATOM 877 CG LEU A 57 9.839 -4.901 -7.609 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.522 -5.645 -7.360 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.294 -5.148 -9.051 1.00 0.00 C ATOM 0 H LEU A 57 11.818 -3.394 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 57 9.461 -1.856 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.643 -3.127 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.353 -2.860 -8.015 1.00 0.00 H new ATOM 0 HG LEU A 57 10.595 -5.266 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.672 -6.713 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.194 -5.471 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.762 -5.280 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.438 -6.217 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.535 -4.778 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.233 -4.625 -9.231 1.00 0.00 H new ATOM 891 N GLN A 58 9.481 -4.831 -4.488 1.00 0.00 N ATOM 892 CA GLN A 58 8.741 -5.707 -3.576 1.00 0.00 C ATOM 893 C GLN A 58 8.320 -4.942 -2.318 1.00 0.00 C ATOM 894 O GLN A 58 7.239 -5.172 -1.778 1.00 0.00 O ATOM 895 CB GLN A 58 9.590 -6.917 -3.170 1.00 0.00 C ATOM 896 CG GLN A 58 9.135 -8.152 -3.957 1.00 0.00 C ATOM 897 CD GLN A 58 7.776 -8.622 -3.439 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.701 -9.347 -2.446 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.686 -8.252 -4.058 1.00 0.00 N ATOM 0 H GLN A 58 10.439 -5.125 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 58 7.852 -6.056 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.644 -6.717 -3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.493 -7.099 -2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.068 -7.914 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.870 -8.951 -3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.745 -7.652 -4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.776 -8.564 -3.719 1.00 0.00 H new ATOM 908 N GLU A 59 9.179 -4.015 -1.869 1.00 0.00 N ATOM 909 CA GLU A 59 8.872 -3.203 -0.684 1.00 0.00 C ATOM 910 C GLU A 59 7.585 -2.410 -0.913 1.00 0.00 C ATOM 911 O GLU A 59 6.749 -2.285 -0.016 1.00 0.00 O ATOM 912 CB GLU A 59 10.015 -2.227 -0.378 1.00 0.00 C ATOM 913 CG GLU A 59 11.264 -3.007 0.048 1.00 0.00 C ATOM 914 CD GLU A 59 11.207 -3.284 1.548 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.660 -2.440 2.305 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.712 -4.336 1.918 1.00 0.00 O ATOM 0 H GLU A 59 10.080 -3.811 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 59 8.746 -3.877 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.235 -1.623 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.717 -1.540 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.325 -3.945 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.161 -2.437 -0.193 1.00 0.00 H new ATOM 923 N MET A 60 7.429 -1.894 -2.139 1.00 0.00 N ATOM 924 CA MET A 60 6.230 -1.133 -2.503 1.00 0.00 C ATOM 925 C MET A 60 5.013 -2.053 -2.509 1.00 0.00 C ATOM 926 O MET A 60 3.921 -1.661 -2.107 1.00 0.00 O ATOM 927 CB MET A 60 6.383 -0.499 -3.891 1.00 0.00 C ATOM 928 CG MET A 60 7.692 0.290 -3.958 1.00 0.00 C ATOM 929 SD MET A 60 7.604 1.498 -5.304 1.00 0.00 S ATOM 930 CE MET A 60 7.755 2.988 -4.287 1.00 0.00 C ATOM 0 H MET A 60 8.113 -1.989 -2.890 1.00 0.00 H new ATOM 0 HA MET A 60 6.096 -0.342 -1.765 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.375 -1.274 -4.658 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.539 0.160 -4.095 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.871 0.798 -3.011 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.530 -0.389 -4.119 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.724 3.870 -4.927 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.931 3.027 -3.575 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.701 2.965 -3.746 1.00 0.00 H new ATOM 940 N ILE A 61 5.223 -3.290 -2.960 1.00 0.00 N ATOM 941 CA ILE A 61 4.146 -4.281 -3.007 1.00 0.00 C ATOM 942 C ILE A 61 3.680 -4.626 -1.589 1.00 0.00 C ATOM 943 O ILE A 61 2.484 -4.719 -1.322 1.00 0.00 O ATOM 944 CB ILE A 61 4.627 -5.563 -3.707 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.912 -5.272 -5.190 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.559 -6.658 -3.594 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.641 -4.770 -5.886 1.00 0.00 C ATOM 0 H ILE A 61 6.124 -3.629 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 61 3.315 -3.854 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 61 5.542 -5.906 -3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.701 -4.525 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.272 -6.175 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.910 -7.561 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.370 -6.874 -2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.637 -6.317 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.856 -4.568 -6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.863 -5.530 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.299 -3.855 -5.403 1.00 0.00 H new ATOM 959 N ASP A 62 4.644 -4.821 -0.689 1.00 0.00 N ATOM 960 CA ASP A 62 4.334 -5.165 0.702 1.00 0.00 C ATOM 961 C ASP A 62 3.482 -4.082 1.378 1.00 0.00 C ATOM 962 O ASP A 62 2.544 -4.396 2.113 1.00 0.00 O ATOM 963 CB ASP A 62 5.626 -5.351 1.507 1.00 0.00 C ATOM 964 CG ASP A 62 6.170 -6.762 1.286 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.661 -7.677 1.911 1.00 0.00 O ATOM 966 OD2 ASP A 62 7.089 -6.905 0.496 1.00 0.00 O ATOM 0 H ASP A 62 5.640 -4.748 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 62 3.767 -6.096 0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.367 -4.613 1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.433 -5.187 2.567 1.00 0.00 H new ATOM 971 N GLU A 63 3.825 -2.810 1.137 1.00 0.00 N ATOM 972 CA GLU A 63 3.088 -1.699 1.752 1.00 0.00 C ATOM 973 C GLU A 63 1.781 -1.388 1.005 1.00 0.00 C ATOM 974 O GLU A 63 0.745 -1.165 1.633 1.00 0.00 O ATOM 975 CB GLU A 63 3.973 -0.445 1.823 1.00 0.00 C ATOM 976 CG GLU A 63 4.196 0.146 0.426 1.00 0.00 C ATOM 977 CD GLU A 63 5.304 1.192 0.484 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.460 0.809 0.393 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.982 2.362 0.618 1.00 0.00 O ATOM 0 H GLU A 63 4.595 -2.527 0.531 1.00 0.00 H new ATOM 0 HA GLU A 63 2.820 -2.007 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.505 0.300 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.933 -0.697 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.464 -0.644 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.274 0.598 0.060 1.00 0.00 H new ATOM 986 N VAL A 64 1.835 -1.367 -0.331 1.00 0.00 N ATOM 987 CA VAL A 64 0.646 -1.073 -1.138 1.00 0.00 C ATOM 988 C VAL A 64 -0.352 -2.231 -1.077 1.00 0.00 C ATOM 989 O VAL A 64 -1.469 -2.069 -0.583 1.00 0.00 O ATOM 990 CB VAL A 64 1.040 -0.819 -2.596 1.00 0.00 C ATOM 991 CG1 VAL A 64 -0.210 -0.513 -3.425 1.00 0.00 C ATOM 992 CG2 VAL A 64 2.002 0.366 -2.646 1.00 0.00 C ATOM 0 H VAL A 64 2.680 -1.548 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 64 0.176 -0.178 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 64 1.525 -1.704 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.076 -0.333 -4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.894 -1.361 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.704 0.373 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.290 0.557 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.512 1.250 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.891 0.138 -2.058 1.00 0.00 H new ATOM 1002 N ASP A 65 0.066 -3.395 -1.589 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.790 -4.583 -1.593 1.00 0.00 C ATOM 1004 C ASP A 65 -1.183 -4.951 -0.158 1.00 0.00 C ATOM 1005 O ASP A 65 -0.415 -5.582 0.574 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.058 -5.766 -2.247 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.950 -6.427 -3.297 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -0.989 -5.929 -4.412 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.579 -7.421 -2.974 1.00 0.00 O ATOM 0 H ASP A 65 0.987 -3.537 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.689 -4.361 -2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.866 -5.419 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.221 -6.495 -1.486 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.388 -4.522 0.234 1.00 0.00 N ATOM 1015 CA GLU A 66 -2.900 -4.775 1.589 1.00 0.00 C ATOM 1016 C GLU A 66 -2.943 -6.271 1.916 1.00 0.00 C ATOM 1017 O GLU A 66 -2.624 -6.678 3.035 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.310 -4.186 1.760 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.264 -4.765 0.706 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.610 -4.052 0.787 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.449 -4.496 1.555 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.784 -3.073 0.081 1.00 0.00 O ATOM 0 H GLU A 66 -3.027 -3.999 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.210 -4.288 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.685 -4.407 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.271 -3.101 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.837 -4.646 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.397 -5.834 0.870 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.344 -7.083 0.934 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.429 -8.533 1.139 1.00 0.00 C ATOM 1031 C ASP A 67 -2.087 -9.209 0.854 1.00 0.00 C ATOM 1032 O ASP A 67 -1.714 -10.169 1.532 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.522 -9.162 0.253 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.468 -8.589 -1.163 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.087 -7.561 -1.390 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.816 -9.187 -2.001 1.00 0.00 O ATOM 0 H ASP A 67 -3.612 -6.768 0.002 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.692 -8.694 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.391 -10.243 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.503 -8.974 0.689 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.367 -8.708 -0.155 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.072 -9.280 -0.518 1.00 0.00 C ATOM 1043 C GLY A 68 -0.258 -10.665 -1.127 1.00 0.00 C ATOM 1044 O GLY A 68 0.384 -11.632 -0.716 1.00 0.00 O ATOM 0 H GLY A 68 -1.657 -7.916 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.435 -8.628 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.565 -9.346 0.364 1.00 0.00 H new ATOM 1048 N SER A 69 -1.157 -10.743 -2.110 1.00 0.00 N ATOM 1049 CA SER A 69 -1.447 -12.012 -2.780 1.00 0.00 C ATOM 1050 C SER A 69 -0.486 -12.275 -3.950 1.00 0.00 C ATOM 1051 O SER A 69 -0.683 -13.219 -4.720 1.00 0.00 O ATOM 1052 CB SER A 69 -2.883 -12.008 -3.313 1.00 0.00 C ATOM 1053 OG SER A 69 -3.077 -10.867 -4.148 1.00 0.00 O ATOM 0 H SER A 69 -1.694 -9.948 -2.458 1.00 0.00 H new ATOM 0 HA SER A 69 -1.318 -12.803 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.076 -12.921 -3.876 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.590 -11.990 -2.484 1.00 0.00 H new ATOM 0 HG SER A 69 -3.372 -10.109 -3.602 1.00 0.00 H new ATOM 1059 N GLY A 70 0.545 -11.430 -4.095 1.00 0.00 N ATOM 1060 CA GLY A 70 1.503 -11.583 -5.188 1.00 0.00 C ATOM 1061 C GLY A 70 0.914 -11.058 -6.502 1.00 0.00 C ATOM 1062 O GLY A 70 1.470 -11.286 -7.577 1.00 0.00 O ATOM 0 H GLY A 70 0.732 -10.643 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.420 -11.042 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.772 -12.634 -5.298 1.00 0.00 H new ATOM 1066 N THR A 71 -0.221 -10.352 -6.398 1.00 0.00 N ATOM 1067 CA THR A 71 -0.887 -9.797 -7.570 1.00 0.00 C ATOM 1068 C THR A 71 -1.470 -8.429 -7.229 1.00 0.00 C ATOM 1069 O THR A 71 -2.042 -8.235 -6.152 1.00 0.00 O ATOM 1070 CB THR A 71 -2.014 -10.727 -8.050 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.109 -10.663 -7.144 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.503 -12.167 -8.121 1.00 0.00 C ATOM 0 H THR A 71 -0.691 -10.156 -5.514 1.00 0.00 H new ATOM 0 HA THR A 71 -0.152 -9.698 -8.369 1.00 0.00 H new ATOM 0 HB THR A 71 -2.340 -10.407 -9.040 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.780 -10.763 -6.226 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.305 -12.821 -8.462 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.668 -12.223 -8.820 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.171 -12.484 -7.133 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.313 -7.480 -8.147 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.823 -6.129 -7.921 1.00 0.00 C ATOM 1082 C VAL A 72 -3.167 -5.933 -8.610 1.00 0.00 C ATOM 1083 O VAL A 72 -3.291 -6.104 -9.824 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.846 -5.073 -8.452 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.265 -3.687 -7.950 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.571 -5.380 -7.961 1.00 0.00 C ATOM 0 H VAL A 72 -0.844 -7.616 -9.042 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.940 -6.008 -6.844 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.863 -5.090 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.570 -2.938 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.271 -3.460 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.253 -3.676 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.260 -4.626 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.589 -5.370 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.875 -6.363 -8.320 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.162 -5.537 -7.819 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.495 -5.269 -8.353 1.00 0.00 C ATOM 1098 C ASP A 73 -5.514 -3.846 -8.901 1.00 0.00 C ATOM 1099 O ASP A 73 -4.626 -3.055 -8.589 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.557 -5.398 -7.253 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.853 -6.873 -6.988 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -6.031 -7.520 -6.357 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.900 -7.331 -7.416 1.00 0.00 O ATOM 0 H ASP A 73 -4.072 -5.395 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.721 -5.991 -9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.207 -4.918 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.469 -4.883 -7.554 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.514 -3.516 -9.718 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.586 -2.166 -10.279 1.00 0.00 C ATOM 1110 C PHE A 74 -6.641 -1.119 -9.161 1.00 0.00 C ATOM 1111 O PHE A 74 -6.097 -0.023 -9.301 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.800 -2.003 -11.195 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.645 -0.734 -11.992 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.430 -0.462 -12.629 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.709 0.165 -12.093 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.280 0.716 -13.368 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.559 1.342 -12.832 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.345 1.617 -13.470 1.00 0.00 C ATOM 0 H PHE A 74 -7.266 -4.144 -10.001 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.685 -2.013 -10.872 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.885 -2.860 -11.864 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.715 -1.967 -10.604 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.610 -1.160 -12.550 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.646 -0.049 -11.601 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.342 0.930 -13.860 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.380 2.039 -12.910 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.230 2.526 -14.042 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.282 -1.478 -8.042 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.376 -0.570 -6.896 1.00 0.00 C ATOM 1130 C ASP A 75 -5.997 -0.399 -6.256 1.00 0.00 C ATOM 1131 O ASP A 75 -5.581 0.717 -5.941 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.356 -1.115 -5.852 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.786 -0.977 -6.369 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.202 -1.827 -7.139 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -10.443 -0.021 -5.989 1.00 0.00 O ATOM 0 H ASP A 75 -7.738 -2.380 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.740 0.394 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.134 -2.161 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.244 -0.571 -4.914 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.285 -1.522 -6.094 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.936 -1.497 -5.516 1.00 0.00 C ATOM 1142 C GLU A 76 -2.953 -0.851 -6.504 1.00 0.00 C ATOM 1143 O GLU A 76 -1.941 -0.271 -6.103 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.458 -2.922 -5.189 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.475 -3.616 -4.269 1.00 0.00 C ATOM 1146 CD GLU A 76 -4.025 -5.050 -3.974 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.923 -5.827 -4.911 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.797 -5.355 -2.816 1.00 0.00 O ATOM 0 H GLU A 76 -5.617 -2.451 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.971 -0.913 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.337 -3.494 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.482 -2.886 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.574 -3.059 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.457 -3.625 -4.741 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.275 -0.956 -7.802 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.440 -0.386 -8.862 1.00 0.00 C ATOM 1157 C PHE A 77 -2.439 1.141 -8.776 1.00 0.00 C ATOM 1158 O PHE A 77 -1.380 1.771 -8.728 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.985 -0.809 -10.236 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.880 -0.937 -11.266 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.533 -1.079 -10.889 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.225 -0.927 -12.620 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.454 -1.207 -11.870 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.236 -1.057 -13.597 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.101 -1.197 -13.225 1.00 0.00 C ATOM 0 H PHE A 77 -4.111 -1.433 -8.140 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.422 -0.754 -8.737 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.506 -1.762 -10.142 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.717 -0.077 -10.578 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.262 -1.089 -9.844 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.259 -0.818 -12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.490 -1.314 -11.583 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.507 -1.049 -14.642 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.864 -1.298 -13.982 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.644 1.722 -8.752 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.792 3.178 -8.664 1.00 0.00 C ATOM 1177 C LEU A 78 -3.337 3.680 -7.289 1.00 0.00 C ATOM 1178 O LEU A 78 -2.857 4.808 -7.158 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.252 3.590 -8.901 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.663 3.765 -10.374 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.089 2.627 -11.222 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.190 3.752 -10.484 1.00 0.00 C ATOM 0 H LEU A 78 -4.525 1.210 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.167 3.627 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.900 2.840 -8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.436 4.528 -8.377 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.273 4.716 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.387 2.762 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.001 2.634 -11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.470 1.673 -10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.481 3.876 -11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.574 2.802 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.604 4.568 -9.892 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.482 2.823 -6.268 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.068 3.177 -4.908 1.00 0.00 C ATOM 1196 C VAL A 79 -1.555 3.434 -4.878 1.00 0.00 C ATOM 1197 O VAL A 79 -1.097 4.430 -4.325 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.440 2.047 -3.928 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.428 1.973 -2.783 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.834 2.315 -3.354 1.00 0.00 C ATOM 0 H VAL A 79 -3.880 1.888 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.587 4.085 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.432 1.099 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.708 1.169 -2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.435 1.777 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.420 2.920 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.101 1.518 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.833 3.269 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.561 2.349 -4.165 1.00 0.00 H new ATOM 1210 N MET A 80 -0.795 2.520 -5.490 1.00 0.00 N ATOM 1211 CA MET A 80 0.669 2.644 -5.554 1.00 0.00 C ATOM 1212 C MET A 80 1.090 4.052 -5.996 1.00 0.00 C ATOM 1213 O MET A 80 2.130 4.560 -5.570 1.00 0.00 O ATOM 1214 CB MET A 80 1.239 1.626 -6.549 1.00 0.00 C ATOM 1215 CG MET A 80 2.424 0.892 -5.919 1.00 0.00 C ATOM 1216 SD MET A 80 3.627 0.469 -7.204 1.00 0.00 S ATOM 1217 CE MET A 80 2.580 -0.678 -8.134 1.00 0.00 C ATOM 0 H MET A 80 -1.166 1.687 -5.948 1.00 0.00 H new ATOM 0 HA MET A 80 1.060 2.455 -4.554 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.467 0.911 -6.834 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.556 2.133 -7.460 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.892 1.519 -5.160 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.080 -0.012 -5.417 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.080 -0.956 -9.062 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.400 -1.572 -7.537 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.629 -0.197 -8.364 1.00 0.00 H new ATOM 1227 N MET A 81 0.270 4.675 -6.854 1.00 0.00 N ATOM 1228 CA MET A 81 0.560 6.023 -7.350 1.00 0.00 C ATOM 1229 C MET A 81 0.529 7.037 -6.204 1.00 0.00 C ATOM 1230 O MET A 81 1.497 7.769 -5.984 1.00 0.00 O ATOM 1231 CB MET A 81 -0.472 6.432 -8.409 1.00 0.00 C ATOM 1232 CG MET A 81 0.070 7.595 -9.243 1.00 0.00 C ATOM 1233 SD MET A 81 -1.256 8.794 -9.544 1.00 0.00 S ATOM 1234 CE MET A 81 -2.361 7.698 -10.470 1.00 0.00 C ATOM 0 H MET A 81 -0.593 4.269 -7.216 1.00 0.00 H new ATOM 0 HA MET A 81 1.556 6.013 -7.794 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.698 5.584 -9.055 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.405 6.723 -7.927 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.898 8.076 -8.721 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.462 7.225 -10.190 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.327 8.185 -10.605 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.925 7.481 -11.445 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.497 6.768 -9.918 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.593 7.066 -5.477 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.748 7.992 -4.348 1.00 0.00 C ATOM 1246 C VAL A 82 0.194 7.618 -3.197 1.00 0.00 C ATOM 1247 O VAL A 82 0.632 8.484 -2.439 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.195 8.002 -3.834 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.122 8.548 -4.920 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.632 6.582 -3.462 1.00 0.00 C ATOM 0 H VAL A 82 -1.400 6.466 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.493 8.988 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.251 8.637 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.148 8.554 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.822 9.564 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.057 7.916 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.660 6.601 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.570 5.940 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.978 6.193 -2.681 1.00 0.00 H new ATOM 1260 N ARG A 83 0.502 6.321 -3.079 1.00 0.00 N ATOM 1261 CA ARG A 83 1.401 5.836 -2.024 1.00 0.00 C ATOM 1262 C ARG A 83 2.760 6.534 -2.112 1.00 0.00 C ATOM 1263 O ARG A 83 3.380 6.842 -1.092 1.00 0.00 O ATOM 1264 CB ARG A 83 1.610 4.323 -2.147 1.00 0.00 C ATOM 1265 CG ARG A 83 0.344 3.589 -1.694 1.00 0.00 C ATOM 1266 CD ARG A 83 0.591 2.925 -0.337 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.624 2.944 0.482 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.610 2.582 1.772 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.504 2.191 2.348 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.720 2.619 2.466 1.00 0.00 N ATOM 0 H ARG A 83 0.145 5.592 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 83 0.938 6.062 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.844 4.061 -3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.459 4.013 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.488 4.290 -1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.064 2.837 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.919 1.896 -0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.395 3.444 0.185 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.503 3.241 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.372 2.160 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.501 1.918 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.588 2.922 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.717 2.345 3.448 1.00 0.00 H new