USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 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 69 SER OG : rot -87:sc= 1.29 USER MOD Set 1.2: A 71 THR OG1 : rot -46:sc= 0.364 USER MOD Set 2.1: A 45 MET CE :methyl -171:sc= -1.25 (180deg=-1.46) USER MOD Set 2.2: A 60 MET CE :methyl -166:sc= -0.634 (180deg=-0.702) USER MOD Set 2.3: A 80 MET CE :methyl 149:sc= 0 (180deg=-0.355) 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= 0.0752 X(o=0.075,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 16 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.34) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= -0.0667 (180deg=-0.255) USER MOD Single : A 18 ASN : amide:sc= 0.21 X(o=0.21,f=-0.034) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -10:sc= -0.093 USER MOD Single : A 37 SER OG : rot 180:sc= -0.417 USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.0568 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 -134:sc= -0.564 (180deg=-1.39!) USER MOD Single : A 50 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.51) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.423 USER MOD Single : A 58 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.34) USER MOD Single : A 81 MET CE :methyl -179:sc= -0.42 (180deg=-0.428) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.352 8.045 1.139 1.00 0.00 N ATOM 66 CA TYR A 5 -5.102 7.248 -0.070 1.00 0.00 C ATOM 67 C TYR A 5 -6.421 6.950 -0.785 1.00 0.00 C ATOM 68 O TYR A 5 -6.502 7.004 -2.014 1.00 0.00 O ATOM 69 CB TYR A 5 -4.421 5.915 0.271 1.00 0.00 C ATOM 70 CG TYR A 5 -3.100 6.157 0.970 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.988 6.608 0.245 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.987 5.917 2.344 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.767 6.817 0.897 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.768 6.129 2.995 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.657 6.578 2.272 1.00 0.00 C ATOM 76 OH TYR A 5 0.545 6.782 2.916 1.00 0.00 O ATOM 0 HA TYR A 5 -4.444 7.830 -0.715 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.073 5.320 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.257 5.340 -0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.073 6.794 -0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.843 5.567 2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.091 7.163 0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.684 5.946 4.056 1.00 0.00 H new ATOM 0 HH TYR A 5 0.446 6.570 3.868 1.00 0.00 H new ATOM 86 N LYS A 6 -7.452 6.638 0.007 1.00 0.00 N ATOM 87 CA LYS A 6 -8.776 6.332 -0.542 1.00 0.00 C ATOM 88 C LYS A 6 -9.490 7.605 -1.011 1.00 0.00 C ATOM 89 O LYS A 6 -10.306 7.563 -1.933 1.00 0.00 O ATOM 90 CB LYS A 6 -9.645 5.631 0.508 1.00 0.00 C ATOM 91 CG LYS A 6 -10.453 4.515 -0.159 1.00 0.00 C ATOM 92 CD LYS A 6 -9.583 3.261 -0.300 1.00 0.00 C ATOM 93 CE LYS A 6 -9.626 2.457 1.003 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.206 1.051 0.738 1.00 0.00 N ATOM 0 H LYS A 6 -7.396 6.591 1.024 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.629 5.672 -1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.017 5.218 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.317 6.350 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.339 4.290 0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.800 4.841 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.940 2.649 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.556 3.543 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.967 2.910 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.633 2.474 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.236 0.507 1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.851 0.621 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.237 1.044 0.360 1.00 0.00 H new ATOM 108 N ALA A 7 -9.175 8.735 -0.369 1.00 0.00 N ATOM 109 CA ALA A 7 -9.791 10.014 -0.733 1.00 0.00 C ATOM 110 C ALA A 7 -9.314 10.483 -2.112 1.00 0.00 C ATOM 111 O ALA A 7 -10.015 11.230 -2.796 1.00 0.00 O ATOM 112 CB ALA A 7 -9.447 11.085 0.304 1.00 0.00 C ATOM 0 H ALA A 7 -8.504 8.790 0.397 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.870 9.864 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.912 12.029 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.818 10.778 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.365 11.212 0.350 1.00 0.00 H new ATOM 118 N ALA A 8 -8.116 10.040 -2.511 1.00 0.00 N ATOM 119 CA ALA A 8 -7.558 10.423 -3.811 1.00 0.00 C ATOM 120 C ALA A 8 -8.068 9.504 -4.920 1.00 0.00 C ATOM 121 O ALA A 8 -8.429 9.968 -6.002 1.00 0.00 O ATOM 122 CB ALA A 8 -6.032 10.357 -3.775 1.00 0.00 C ATOM 0 H ALA A 8 -7.521 9.423 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.878 11.444 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.632 10.644 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.656 11.039 -3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.717 9.340 -3.539 1.00 0.00 H new ATOM 128 N VAL A 9 -8.095 8.196 -4.640 1.00 0.00 N ATOM 129 CA VAL A 9 -8.567 7.221 -5.629 1.00 0.00 C ATOM 130 C VAL A 9 -10.056 7.436 -5.946 1.00 0.00 C ATOM 131 O VAL A 9 -10.531 7.073 -7.023 1.00 0.00 O ATOM 132 CB VAL A 9 -8.338 5.783 -5.127 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.291 5.466 -3.971 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.580 4.794 -6.273 1.00 0.00 C ATOM 0 H VAL A 9 -7.800 7.793 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.993 7.370 -6.544 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.310 5.693 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.118 4.447 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.112 6.162 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.322 5.564 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.418 3.777 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.605 4.894 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.890 5.007 -7.089 1.00 0.00 H new ATOM 144 N GLU A 10 -10.788 8.036 -5.002 1.00 0.00 N ATOM 145 CA GLU A 10 -12.211 8.297 -5.202 1.00 0.00 C ATOM 146 C GLU A 10 -12.443 9.577 -6.019 1.00 0.00 C ATOM 147 O GLU A 10 -13.564 9.837 -6.461 1.00 0.00 O ATOM 148 CB GLU A 10 -12.926 8.423 -3.852 1.00 0.00 C ATOM 149 CG GLU A 10 -12.493 9.707 -3.135 1.00 0.00 C ATOM 150 CD GLU A 10 -13.542 10.093 -2.096 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.596 10.562 -2.492 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.276 9.917 -0.919 1.00 0.00 O ATOM 0 H GLU A 10 -10.421 8.346 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.620 7.453 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.005 8.430 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.698 7.557 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.527 9.558 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.368 10.514 -3.857 1.00 0.00 H new ATOM 159 N GLN A 11 -11.385 10.379 -6.211 1.00 0.00 N ATOM 160 CA GLN A 11 -11.520 11.629 -6.970 1.00 0.00 C ATOM 161 C GLN A 11 -10.490 11.735 -8.103 1.00 0.00 C ATOM 162 O GLN A 11 -10.194 12.833 -8.582 1.00 0.00 O ATOM 163 CB GLN A 11 -11.374 12.839 -6.037 1.00 0.00 C ATOM 164 CG GLN A 11 -9.954 12.891 -5.462 1.00 0.00 C ATOM 165 CD GLN A 11 -9.810 14.123 -4.575 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.198 15.114 -4.974 1.00 0.00 O ATOM 167 NE2 GLN A 11 -10.343 14.122 -3.383 1.00 0.00 N ATOM 0 H GLN A 11 -10.446 10.190 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.514 11.622 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.587 13.758 -6.584 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.101 12.774 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.750 11.989 -4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.224 12.924 -6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.850 13.301 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.252 14.942 -2.783 1.00 0.00 H new ATOM 176 N LEU A 12 -9.954 10.591 -8.537 1.00 0.00 N ATOM 177 CA LEU A 12 -8.969 10.584 -9.623 1.00 0.00 C ATOM 178 C LEU A 12 -9.631 10.933 -10.962 1.00 0.00 C ATOM 179 O LEU A 12 -10.852 11.095 -11.043 1.00 0.00 O ATOM 180 CB LEU A 12 -8.311 9.207 -9.736 1.00 0.00 C ATOM 181 CG LEU A 12 -9.284 8.033 -9.877 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.469 7.695 -11.353 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.722 6.821 -9.142 1.00 0.00 C ATOM 0 H LEU A 12 -10.181 9.671 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.213 11.334 -9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.642 9.210 -10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.693 9.043 -8.853 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.248 8.306 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.162 6.859 -11.451 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.870 8.562 -11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.507 7.422 -11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.412 5.983 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.758 6.549 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.593 7.063 -8.087 1.00 0.00 H new ATOM 195 N THR A 13 -8.810 11.047 -12.010 1.00 0.00 N ATOM 196 CA THR A 13 -9.317 11.378 -13.345 1.00 0.00 C ATOM 197 C THR A 13 -9.324 10.148 -14.247 1.00 0.00 C ATOM 198 O THR A 13 -8.727 9.117 -13.929 1.00 0.00 O ATOM 199 CB THR A 13 -8.456 12.463 -14.013 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.185 12.534 -13.383 1.00 0.00 O ATOM 201 CG2 THR A 13 -9.161 13.814 -13.911 1.00 0.00 C ATOM 0 H THR A 13 -7.800 10.916 -11.961 1.00 0.00 H new ATOM 0 HA THR A 13 -10.334 11.747 -13.215 1.00 0.00 H new ATOM 0 HB THR A 13 -8.315 12.208 -15.063 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.643 13.226 -13.816 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.548 14.581 -14.385 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.127 13.759 -14.413 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.312 14.068 -12.862 1.00 0.00 H new ATOM 209 N ASP A 14 -9.996 10.283 -15.392 1.00 0.00 N ATOM 210 CA ASP A 14 -10.070 9.193 -16.365 1.00 0.00 C ATOM 211 C ASP A 14 -8.700 8.964 -17.001 1.00 0.00 C ATOM 212 O ASP A 14 -8.329 7.829 -17.305 1.00 0.00 O ATOM 213 CB ASP A 14 -11.086 9.516 -17.465 1.00 0.00 C ATOM 214 CG ASP A 14 -12.483 9.107 -17.007 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.756 7.917 -16.991 1.00 0.00 O ATOM 216 OD2 ASP A 14 -13.260 9.988 -16.680 1.00 0.00 O ATOM 0 H ASP A 14 -10.493 11.130 -15.666 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.388 8.292 -15.840 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.064 10.582 -17.693 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.824 8.989 -18.382 1.00 0.00 H new ATOM 221 N GLU A 15 -7.944 10.056 -17.177 1.00 0.00 N ATOM 222 CA GLU A 15 -6.600 9.963 -17.758 1.00 0.00 C ATOM 223 C GLU A 15 -5.663 9.217 -16.804 1.00 0.00 C ATOM 224 O GLU A 15 -4.735 8.532 -17.238 1.00 0.00 O ATOM 225 CB GLU A 15 -6.029 11.356 -18.040 1.00 0.00 C ATOM 226 CG GLU A 15 -6.412 11.787 -19.460 1.00 0.00 C ATOM 227 CD GLU A 15 -5.432 11.185 -20.465 1.00 0.00 C ATOM 228 OE1 GLU A 15 -5.592 10.022 -20.797 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.535 11.895 -20.888 1.00 0.00 O ATOM 0 H GLU A 15 -8.236 11.001 -16.929 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.677 9.416 -18.698 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.414 12.072 -17.315 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.944 11.345 -17.932 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.427 11.461 -19.688 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.402 12.874 -19.535 1.00 0.00 H new ATOM 236 N GLN A 16 -5.938 9.342 -15.500 1.00 0.00 N ATOM 237 CA GLN A 16 -5.143 8.662 -14.478 1.00 0.00 C ATOM 238 C GLN A 16 -5.417 7.159 -14.532 1.00 0.00 C ATOM 239 O GLN A 16 -4.508 6.342 -14.379 1.00 0.00 O ATOM 240 CB GLN A 16 -5.497 9.192 -13.082 1.00 0.00 C ATOM 241 CG GLN A 16 -4.336 8.930 -12.118 1.00 0.00 C ATOM 242 CD GLN A 16 -4.871 8.350 -10.811 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.650 8.914 -9.739 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.569 7.247 -10.833 1.00 0.00 N ATOM 0 H GLN A 16 -6.703 9.907 -15.131 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.088 8.853 -14.672 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.707 10.260 -13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.402 8.706 -12.717 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.625 8.238 -12.570 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.798 9.857 -11.922 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.754 6.778 -11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.930 6.854 -9.963 1.00 0.00 H new ATOM 253 N LYS A 17 -6.688 6.814 -14.771 1.00 0.00 N ATOM 254 CA LYS A 17 -7.095 5.413 -14.869 1.00 0.00 C ATOM 255 C LYS A 17 -6.467 4.769 -16.101 1.00 0.00 C ATOM 256 O LYS A 17 -5.943 3.663 -16.032 1.00 0.00 O ATOM 257 CB LYS A 17 -8.618 5.291 -14.995 1.00 0.00 C ATOM 258 CG LYS A 17 -9.290 5.778 -13.713 1.00 0.00 C ATOM 259 CD LYS A 17 -10.694 6.302 -14.036 1.00 0.00 C ATOM 260 CE LYS A 17 -11.734 5.227 -13.706 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.166 5.362 -12.285 1.00 0.00 N ATOM 0 H LYS A 17 -7.446 7.484 -14.899 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.760 4.910 -13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.969 5.877 -15.844 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.893 4.254 -15.188 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.352 4.964 -12.991 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.693 6.566 -13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.896 7.206 -13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.758 6.573 -15.090 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.594 5.325 -14.368 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.313 4.236 -13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.987 4.748 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.386 5.082 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.427 6.350 -12.094 1.00 0.00 H new ATOM 275 N ASN A 18 -6.536 5.481 -17.230 1.00 0.00 N ATOM 276 CA ASN A 18 -5.983 4.970 -18.489 1.00 0.00 C ATOM 277 C ASN A 18 -4.464 4.806 -18.411 1.00 0.00 C ATOM 278 O ASN A 18 -3.904 3.889 -19.015 1.00 0.00 O ATOM 279 CB ASN A 18 -6.327 5.909 -19.648 1.00 0.00 C ATOM 280 CG ASN A 18 -7.759 5.649 -20.107 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.053 4.599 -20.678 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.678 6.550 -19.887 1.00 0.00 N ATOM 0 H ASN A 18 -6.965 6.404 -17.299 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.431 3.992 -18.663 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.218 6.947 -19.334 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.635 5.752 -20.475 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.638 6.383 -20.188 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.436 7.421 -19.414 1.00 0.00 H new ATOM 289 N GLU A 19 -3.807 5.700 -17.667 1.00 0.00 N ATOM 290 CA GLU A 19 -2.350 5.642 -17.517 1.00 0.00 C ATOM 291 C GLU A 19 -1.911 4.263 -17.015 1.00 0.00 C ATOM 292 O GLU A 19 -1.023 3.634 -17.594 1.00 0.00 O ATOM 293 CB GLU A 19 -1.866 6.709 -16.527 1.00 0.00 C ATOM 294 CG GLU A 19 -0.340 6.802 -16.584 1.00 0.00 C ATOM 295 CD GLU A 19 0.161 7.676 -15.439 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.369 7.143 -14.363 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.329 8.865 -15.656 1.00 0.00 O ATOM 0 H GLU A 19 -4.255 6.466 -17.164 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.909 5.828 -18.496 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.309 7.674 -16.771 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.188 6.456 -15.517 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.098 5.806 -16.514 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.026 7.222 -17.540 1.00 0.00 H new ATOM 304 N PHE A 20 -2.544 3.808 -15.931 1.00 0.00 N ATOM 305 CA PHE A 20 -2.214 2.507 -15.347 1.00 0.00 C ATOM 306 C PHE A 20 -2.984 1.375 -16.032 1.00 0.00 C ATOM 307 O PHE A 20 -2.429 0.309 -16.283 1.00 0.00 O ATOM 308 CB PHE A 20 -2.546 2.492 -13.853 1.00 0.00 C ATOM 309 CG PHE A 20 -1.400 3.085 -13.065 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.366 4.460 -12.805 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.375 2.259 -12.587 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.310 5.007 -12.070 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.681 2.804 -11.852 1.00 0.00 C ATOM 314 CZ PHE A 20 0.715 4.179 -11.590 1.00 0.00 C ATOM 0 H PHE A 20 -3.282 4.317 -15.444 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.145 2.349 -15.494 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.458 3.060 -13.669 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.735 1.470 -13.524 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.156 5.099 -13.172 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.401 1.198 -12.787 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.284 6.068 -11.872 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.471 2.165 -11.486 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.529 4.601 -11.019 1.00 0.00 H new ATOM 324 N LYS A 21 -4.271 1.611 -16.321 1.00 0.00 N ATOM 325 CA LYS A 21 -5.114 0.593 -16.965 1.00 0.00 C ATOM 326 C LYS A 21 -4.479 0.072 -18.258 1.00 0.00 C ATOM 327 O LYS A 21 -4.646 -1.095 -18.606 1.00 0.00 O ATOM 328 CB LYS A 21 -6.504 1.159 -17.274 1.00 0.00 C ATOM 329 CG LYS A 21 -7.411 0.051 -17.823 1.00 0.00 C ATOM 330 CD LYS A 21 -7.509 0.168 -19.347 1.00 0.00 C ATOM 331 CE LYS A 21 -8.592 1.185 -19.717 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.954 1.032 -21.155 1.00 0.00 N ATOM 0 H LYS A 21 -4.748 2.490 -16.121 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.207 -0.238 -16.265 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.942 1.584 -16.371 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.423 1.968 -18.000 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.013 -0.926 -17.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.403 0.127 -17.379 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.549 0.478 -19.760 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.745 -0.803 -19.782 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.473 1.036 -19.092 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.234 2.197 -19.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.690 1.724 -21.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.113 1.195 -21.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.313 0.070 -21.322 1.00 0.00 H new ATOM 346 N ALA A 22 -3.746 0.941 -18.961 1.00 0.00 N ATOM 347 CA ALA A 22 -3.087 0.539 -20.208 1.00 0.00 C ATOM 348 C ALA A 22 -2.133 -0.627 -19.947 1.00 0.00 C ATOM 349 O ALA A 22 -2.246 -1.689 -20.566 1.00 0.00 O ATOM 350 CB ALA A 22 -2.304 1.710 -20.807 1.00 0.00 C ATOM 0 H ALA A 22 -3.595 1.914 -18.693 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.857 0.229 -20.915 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.823 1.391 -21.731 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.986 2.533 -21.019 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.545 2.041 -20.098 1.00 0.00 H new ATOM 356 N ALA A 23 -1.206 -0.423 -19.005 1.00 0.00 N ATOM 357 CA ALA A 23 -0.246 -1.467 -18.639 1.00 0.00 C ATOM 358 C ALA A 23 -0.962 -2.609 -17.913 1.00 0.00 C ATOM 359 O ALA A 23 -0.590 -3.774 -18.039 1.00 0.00 O ATOM 360 CB ALA A 23 0.845 -0.901 -17.725 1.00 0.00 C ATOM 0 H ALA A 23 -1.101 0.449 -18.486 1.00 0.00 H new ATOM 0 HA ALA A 23 0.212 -1.842 -19.554 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.548 -1.692 -17.465 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.374 -0.101 -18.243 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.390 -0.506 -16.817 1.00 0.00 H new ATOM 366 N PHE A 24 -2.005 -2.255 -17.156 1.00 0.00 N ATOM 367 CA PHE A 24 -2.786 -3.245 -16.416 1.00 0.00 C ATOM 368 C PHE A 24 -3.457 -4.228 -17.379 1.00 0.00 C ATOM 369 O PHE A 24 -3.462 -5.432 -17.142 1.00 0.00 O ATOM 370 CB PHE A 24 -3.871 -2.548 -15.582 1.00 0.00 C ATOM 371 CG PHE A 24 -4.368 -3.470 -14.490 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.306 -4.466 -14.785 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.895 -3.323 -13.182 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.768 -5.313 -13.771 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.356 -4.168 -12.170 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.292 -5.163 -12.463 1.00 0.00 C ATOM 0 H PHE A 24 -2.325 -1.293 -17.041 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.108 -3.788 -15.758 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.470 -1.635 -15.142 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.701 -2.254 -16.225 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.673 -4.581 -15.794 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.172 -2.554 -12.954 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.492 -6.082 -13.998 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.989 -4.052 -11.161 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.648 -5.816 -11.680 1.00 0.00 H new ATOM 386 N ASP A 25 -4.029 -3.692 -18.462 1.00 0.00 N ATOM 387 CA ASP A 25 -4.723 -4.519 -19.457 1.00 0.00 C ATOM 388 C ASP A 25 -3.777 -5.506 -20.149 1.00 0.00 C ATOM 389 O ASP A 25 -4.155 -6.646 -20.419 1.00 0.00 O ATOM 390 CB ASP A 25 -5.374 -3.633 -20.526 1.00 0.00 C ATOM 391 CG ASP A 25 -6.564 -4.363 -21.143 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.349 -5.140 -22.059 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.674 -4.134 -20.692 1.00 0.00 O ATOM 0 H ASP A 25 -4.026 -2.694 -18.672 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.483 -5.086 -18.919 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.702 -2.693 -20.083 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.647 -3.385 -21.299 1.00 0.00 H new ATOM 398 N ILE A 26 -2.556 -5.057 -20.452 1.00 0.00 N ATOM 399 CA ILE A 26 -1.583 -5.919 -21.137 1.00 0.00 C ATOM 400 C ILE A 26 -0.994 -6.972 -20.191 1.00 0.00 C ATOM 401 O ILE A 26 -0.800 -8.124 -20.583 1.00 0.00 O ATOM 402 CB ILE A 26 -0.444 -5.093 -21.763 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.210 -4.199 -20.701 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.011 -4.221 -22.888 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.361 -3.403 -21.321 1.00 0.00 C ATOM 0 H ILE A 26 -2.219 -4.118 -20.239 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.125 -6.431 -21.932 1.00 0.00 H new ATOM 0 HB ILE A 26 0.309 -5.771 -22.164 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.530 -3.517 -20.282 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.582 -4.810 -19.878 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.208 -3.635 -23.334 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.462 -4.857 -23.650 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.768 -3.550 -22.482 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.819 -2.772 -20.559 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.107 -4.091 -21.718 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.978 -2.778 -22.128 1.00 0.00 H new ATOM 417 N PHE A 27 -0.705 -6.573 -18.946 1.00 0.00 N ATOM 418 CA PHE A 27 -0.131 -7.507 -17.969 1.00 0.00 C ATOM 419 C PHE A 27 -1.166 -8.543 -17.509 1.00 0.00 C ATOM 420 O PHE A 27 -0.819 -9.701 -17.266 1.00 0.00 O ATOM 421 CB PHE A 27 0.425 -6.755 -16.750 1.00 0.00 C ATOM 422 CG PHE A 27 1.666 -5.981 -17.154 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.678 -6.606 -17.898 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.798 -4.635 -16.794 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.817 -5.885 -18.277 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.937 -3.915 -17.178 1.00 0.00 C ATOM 427 CZ PHE A 27 3.946 -4.540 -17.918 1.00 0.00 C ATOM 0 H PHE A 27 -0.856 -5.627 -18.595 1.00 0.00 H new ATOM 0 HA PHE A 27 0.686 -8.030 -18.466 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.329 -6.074 -16.355 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.666 -7.459 -15.954 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.578 -7.644 -18.179 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.022 -4.151 -16.220 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.597 -6.368 -18.847 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.036 -2.876 -16.902 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.824 -3.984 -18.212 1.00 0.00 H new ATOM 437 N ILE A 28 -2.438 -8.132 -17.404 1.00 0.00 N ATOM 438 CA ILE A 28 -3.499 -9.065 -16.985 1.00 0.00 C ATOM 439 C ILE A 28 -4.230 -9.666 -18.197 1.00 0.00 C ATOM 440 O ILE A 28 -5.185 -10.428 -18.032 1.00 0.00 O ATOM 441 CB ILE A 28 -4.533 -8.377 -16.071 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.395 -7.399 -16.884 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.818 -7.618 -14.953 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.703 -8.079 -17.292 1.00 0.00 C ATOM 0 H ILE A 28 -2.755 -7.182 -17.598 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.006 -9.862 -16.429 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.176 -9.142 -15.636 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.606 -6.508 -16.293 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.852 -7.072 -17.771 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.555 -7.135 -14.312 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.224 -8.315 -14.362 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.164 -6.862 -15.387 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.311 -7.382 -17.868 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.483 -8.957 -17.900 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.249 -8.384 -16.399 1.00 0.00 H new ATOM 456 N GLN A 29 -3.777 -9.319 -19.413 1.00 0.00 N ATOM 457 CA GLN A 29 -4.398 -9.827 -20.643 1.00 0.00 C ATOM 458 C GLN A 29 -4.596 -11.346 -20.576 1.00 0.00 C ATOM 459 O GLN A 29 -5.647 -11.864 -20.959 1.00 0.00 O ATOM 460 CB GLN A 29 -3.519 -9.490 -21.853 1.00 0.00 C ATOM 461 CG GLN A 29 -4.168 -10.024 -23.132 1.00 0.00 C ATOM 462 CD GLN A 29 -3.645 -9.241 -24.333 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.813 -9.739 -25.091 1.00 0.00 O ATOM 464 NE2 GLN A 29 -4.087 -8.031 -24.553 1.00 0.00 N ATOM 0 H GLN A 29 -2.987 -8.692 -19.568 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.372 -9.350 -20.746 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.384 -8.411 -21.926 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.529 -9.927 -21.727 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.945 -11.084 -23.250 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.252 -9.932 -23.068 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.777 -7.618 -23.925 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.742 -7.500 -25.353 1.00 0.00 H new ATOM 473 N ASP A 30 -3.573 -12.044 -20.083 1.00 0.00 N ATOM 474 CA ASP A 30 -3.629 -13.504 -19.962 1.00 0.00 C ATOM 475 C ASP A 30 -3.746 -13.934 -18.492 1.00 0.00 C ATOM 476 O ASP A 30 -3.240 -14.989 -18.098 1.00 0.00 O ATOM 477 CB ASP A 30 -2.374 -14.144 -20.582 1.00 0.00 C ATOM 478 CG ASP A 30 -1.112 -13.507 -19.997 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.636 -13.998 -18.986 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.641 -12.538 -20.570 1.00 0.00 O ATOM 0 H ASP A 30 -2.699 -11.627 -19.762 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.514 -13.846 -20.499 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.371 -15.217 -20.390 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.388 -14.014 -21.664 1.00 0.00 H new ATOM 485 N ALA A 31 -4.425 -13.112 -17.684 1.00 0.00 N ATOM 486 CA ALA A 31 -4.606 -13.424 -16.267 1.00 0.00 C ATOM 487 C ALA A 31 -5.977 -14.045 -16.027 1.00 0.00 C ATOM 488 O ALA A 31 -6.947 -13.738 -16.723 1.00 0.00 O ATOM 489 CB ALA A 31 -4.479 -12.164 -15.408 1.00 0.00 C ATOM 0 H ALA A 31 -4.853 -12.236 -17.985 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.827 -14.132 -15.985 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.618 -12.424 -14.359 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.490 -11.728 -15.546 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.239 -11.442 -15.707 1.00 0.00 H new ATOM 495 N GLU A 32 -6.041 -14.917 -15.022 1.00 0.00 N ATOM 496 CA GLU A 32 -7.298 -15.585 -14.674 1.00 0.00 C ATOM 497 C GLU A 32 -7.837 -15.047 -13.342 1.00 0.00 C ATOM 498 O GLU A 32 -8.293 -15.806 -12.483 1.00 0.00 O ATOM 499 CB GLU A 32 -7.101 -17.107 -14.579 1.00 0.00 C ATOM 500 CG GLU A 32 -5.967 -17.439 -13.600 1.00 0.00 C ATOM 501 CD GLU A 32 -6.318 -18.707 -12.827 1.00 0.00 C ATOM 502 OE1 GLU A 32 -7.059 -18.607 -11.864 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.841 -19.763 -13.211 1.00 0.00 O ATOM 0 H GLU A 32 -5.246 -15.177 -14.438 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.021 -15.376 -15.463 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.026 -17.580 -14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.870 -17.513 -15.564 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.032 -17.578 -14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.814 -16.610 -12.909 1.00 0.00 H new ATOM 510 N ASP A 33 -7.779 -13.721 -13.188 1.00 0.00 N ATOM 511 CA ASP A 33 -8.261 -13.076 -11.964 1.00 0.00 C ATOM 512 C ASP A 33 -8.563 -11.598 -12.210 1.00 0.00 C ATOM 513 O ASP A 33 -9.622 -11.098 -11.825 1.00 0.00 O ATOM 514 CB ASP A 33 -7.219 -13.196 -10.845 1.00 0.00 C ATOM 515 CG ASP A 33 -7.908 -13.082 -9.489 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.442 -14.080 -9.033 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.895 -12.000 -8.927 1.00 0.00 O ATOM 0 H ASP A 33 -7.407 -13.079 -13.888 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.178 -13.583 -11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.698 -14.151 -10.920 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.467 -12.414 -10.949 1.00 0.00 H new ATOM 522 N GLY A 34 -7.617 -10.905 -12.848 1.00 0.00 N ATOM 523 CA GLY A 34 -7.777 -9.480 -13.139 1.00 0.00 C ATOM 524 C GLY A 34 -6.796 -8.647 -12.315 1.00 0.00 C ATOM 525 O GLY A 34 -7.147 -7.586 -11.798 1.00 0.00 O ATOM 0 H GLY A 34 -6.737 -11.306 -13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.612 -9.300 -14.201 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.799 -9.171 -12.918 1.00 0.00 H new ATOM 529 N CYS A 35 -5.559 -9.148 -12.204 1.00 0.00 N ATOM 530 CA CYS A 35 -4.511 -8.461 -11.446 1.00 0.00 C ATOM 531 C CYS A 35 -3.152 -8.723 -12.091 1.00 0.00 C ATOM 532 O CYS A 35 -2.910 -9.806 -12.629 1.00 0.00 O ATOM 533 CB CYS A 35 -4.468 -8.960 -9.998 1.00 0.00 C ATOM 534 SG CYS A 35 -6.104 -8.799 -9.239 1.00 0.00 S ATOM 0 H CYS A 35 -5.262 -10.026 -12.630 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.735 -7.394 -11.452 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.147 -10.001 -9.973 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.736 -8.387 -9.429 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.875 -8.097 -10.015 1.00 0.00 H new ATOM 540 N ILE A 36 -2.264 -7.728 -12.027 1.00 0.00 N ATOM 541 CA ILE A 36 -0.927 -7.885 -12.611 1.00 0.00 C ATOM 542 C ILE A 36 -0.026 -8.650 -11.641 1.00 0.00 C ATOM 543 O ILE A 36 -0.348 -8.800 -10.461 1.00 0.00 O ATOM 544 CB ILE A 36 -0.289 -6.524 -12.962 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.282 -5.854 -11.704 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.334 -5.601 -13.600 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.804 -6.035 -11.676 1.00 0.00 C ATOM 0 H ILE A 36 -2.439 -6.824 -11.588 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.032 -8.448 -13.539 1.00 0.00 H new ATOM 0 HB ILE A 36 0.522 -6.700 -13.669 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.031 -4.793 -11.698 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.164 -6.292 -10.811 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.873 -4.644 -13.844 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.718 -6.061 -14.510 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.154 -5.441 -12.900 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.211 -5.560 -10.783 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.044 -7.098 -11.662 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.241 -5.576 -12.563 1.00 0.00 H new ATOM 559 N SER A 37 1.106 -9.135 -12.149 1.00 0.00 N ATOM 560 CA SER A 37 2.041 -9.888 -11.315 1.00 0.00 C ATOM 561 C SER A 37 2.990 -8.940 -10.584 1.00 0.00 C ATOM 562 O SER A 37 3.848 -8.306 -11.200 1.00 0.00 O ATOM 563 CB SER A 37 2.857 -10.867 -12.166 1.00 0.00 C ATOM 564 OG SER A 37 3.222 -11.990 -11.373 1.00 0.00 O ATOM 0 H SER A 37 1.395 -9.022 -13.121 1.00 0.00 H new ATOM 0 HA SER A 37 1.460 -10.450 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.274 -11.191 -13.028 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.750 -10.374 -12.552 1.00 0.00 H new ATOM 0 HG SER A 37 3.743 -12.618 -11.916 1.00 0.00 H new ATOM 570 N THR A 38 2.825 -8.859 -9.259 1.00 0.00 N ATOM 571 CA THR A 38 3.675 -7.993 -8.428 1.00 0.00 C ATOM 572 C THR A 38 5.153 -8.303 -8.675 1.00 0.00 C ATOM 573 O THR A 38 5.974 -7.398 -8.824 1.00 0.00 O ATOM 574 CB THR A 38 3.366 -8.195 -6.937 1.00 0.00 C ATOM 575 OG1 THR A 38 3.547 -9.562 -6.593 1.00 0.00 O ATOM 576 CG2 THR A 38 1.921 -7.783 -6.647 1.00 0.00 C ATOM 0 H THR A 38 2.116 -9.378 -8.740 1.00 0.00 H new ATOM 0 HA THR A 38 3.466 -6.959 -8.702 1.00 0.00 H new ATOM 0 HB THR A 38 4.042 -7.579 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.825 -9.629 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.707 -7.928 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.783 -6.733 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.242 -8.394 -7.242 1.00 0.00 H new ATOM 584 N LYS A 39 5.477 -9.599 -8.728 1.00 0.00 N ATOM 585 CA LYS A 39 6.857 -10.033 -8.972 1.00 0.00 C ATOM 586 C LYS A 39 7.342 -9.573 -10.353 1.00 0.00 C ATOM 587 O LYS A 39 8.541 -9.383 -10.565 1.00 0.00 O ATOM 588 CB LYS A 39 6.968 -11.562 -8.885 1.00 0.00 C ATOM 589 CG LYS A 39 6.132 -12.215 -9.993 1.00 0.00 C ATOM 590 CD LYS A 39 5.868 -13.684 -9.648 1.00 0.00 C ATOM 591 CE LYS A 39 6.817 -14.580 -10.449 1.00 0.00 C ATOM 592 NZ LYS A 39 7.951 -15.010 -9.581 1.00 0.00 N ATOM 0 H LYS A 39 4.809 -10.360 -8.606 1.00 0.00 H new ATOM 0 HA LYS A 39 7.483 -9.579 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.011 -11.865 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.624 -11.904 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.187 -11.684 -10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.656 -12.144 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.012 -13.848 -8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.833 -13.940 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.281 -15.452 -10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.195 -14.042 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.594 -15.618 -10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.468 -14.172 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.582 -15.539 -8.765 1.00 0.00 H new ATOM 606 N GLU A 40 6.397 -9.390 -11.287 1.00 0.00 N ATOM 607 CA GLU A 40 6.741 -8.947 -12.640 1.00 0.00 C ATOM 608 C GLU A 40 6.411 -7.462 -12.836 1.00 0.00 C ATOM 609 O GLU A 40 6.208 -7.008 -13.966 1.00 0.00 O ATOM 610 CB GLU A 40 5.977 -9.764 -13.687 1.00 0.00 C ATOM 611 CG GLU A 40 6.271 -11.256 -13.502 1.00 0.00 C ATOM 612 CD GLU A 40 5.885 -12.012 -14.769 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.657 -11.980 -15.715 1.00 0.00 O ATOM 614 OE2 GLU A 40 4.824 -12.614 -14.777 1.00 0.00 O ATOM 0 H GLU A 40 5.400 -9.541 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 40 7.813 -9.097 -12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.907 -9.581 -13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.267 -9.449 -14.689 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.329 -11.405 -13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.713 -11.644 -12.650 1.00 0.00 H new ATOM 621 N LEU A 41 6.373 -6.699 -11.732 1.00 0.00 N ATOM 622 CA LEU A 41 6.083 -5.266 -11.823 1.00 0.00 C ATOM 623 C LEU A 41 7.264 -4.503 -12.439 1.00 0.00 C ATOM 624 O LEU A 41 7.140 -3.322 -12.762 1.00 0.00 O ATOM 625 CB LEU A 41 5.758 -4.672 -10.448 1.00 0.00 C ATOM 626 CG LEU A 41 4.653 -3.607 -10.456 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.753 -3.787 -9.234 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.283 -2.212 -10.421 1.00 0.00 C ATOM 0 H LEU A 41 6.536 -7.044 -10.786 1.00 0.00 H new ATOM 0 HA LEU A 41 5.211 -5.158 -12.467 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.461 -5.480 -9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.665 -4.232 -10.033 1.00 0.00 H new ATOM 0 HG LEU A 41 4.058 -3.716 -11.363 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.970 -3.029 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.299 -4.778 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.347 -3.683 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.497 -1.457 -10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.881 -2.106 -9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.920 -2.079 -11.295 1.00 0.00 H new ATOM 640 N GLY A 42 8.407 -5.189 -12.622 1.00 0.00 N ATOM 641 CA GLY A 42 9.582 -4.561 -13.227 1.00 0.00 C ATOM 642 C GLY A 42 9.250 -4.059 -14.635 1.00 0.00 C ATOM 643 O GLY A 42 9.729 -3.005 -15.058 1.00 0.00 O ATOM 0 H GLY A 42 8.536 -6.167 -12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.918 -3.730 -12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.403 -5.277 -13.273 1.00 0.00 H new ATOM 647 N LYS A 43 8.401 -4.820 -15.343 1.00 0.00 N ATOM 648 CA LYS A 43 7.976 -4.443 -16.696 1.00 0.00 C ATOM 649 C LYS A 43 7.051 -3.220 -16.640 1.00 0.00 C ATOM 650 O LYS A 43 6.915 -2.482 -17.616 1.00 0.00 O ATOM 651 CB LYS A 43 7.232 -5.601 -17.375 1.00 0.00 C ATOM 652 CG LYS A 43 8.150 -6.825 -17.470 1.00 0.00 C ATOM 653 CD LYS A 43 9.089 -6.672 -18.670 1.00 0.00 C ATOM 654 CE LYS A 43 10.230 -7.688 -18.562 1.00 0.00 C ATOM 655 NZ LYS A 43 11.259 -7.393 -19.600 1.00 0.00 N ATOM 0 H LYS A 43 7.999 -5.693 -15.002 1.00 0.00 H new ATOM 0 HA LYS A 43 8.869 -4.203 -17.273 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.335 -5.851 -16.808 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.906 -5.301 -18.371 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.730 -6.929 -16.553 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.554 -7.732 -17.575 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.538 -6.826 -19.598 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.492 -5.660 -18.703 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.677 -7.644 -17.569 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.845 -8.699 -18.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.034 -8.083 -19.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.828 -7.456 -20.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.634 -6.434 -19.454 1.00 0.00 H new ATOM 669 N VAL A 44 6.432 -3.012 -15.472 1.00 0.00 N ATOM 670 CA VAL A 44 5.537 -1.876 -15.265 1.00 0.00 C ATOM 671 C VAL A 44 6.357 -0.644 -14.902 1.00 0.00 C ATOM 672 O VAL A 44 6.160 0.435 -15.456 1.00 0.00 O ATOM 673 CB VAL A 44 4.550 -2.146 -14.122 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.419 -1.121 -14.182 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.966 -3.560 -14.242 1.00 0.00 C ATOM 0 H VAL A 44 6.537 -3.618 -14.658 1.00 0.00 H new ATOM 0 HA VAL A 44 4.980 -1.717 -16.188 1.00 0.00 H new ATOM 0 HB VAL A 44 5.077 -2.064 -13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.715 -1.309 -13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.832 -0.117 -14.079 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.903 -1.205 -15.138 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.268 -3.736 -13.424 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.443 -3.658 -15.193 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.772 -4.292 -14.195 1.00 0.00 H new ATOM 685 N MET A 45 7.284 -0.829 -13.954 1.00 0.00 N ATOM 686 CA MET A 45 8.148 0.260 -13.500 1.00 0.00 C ATOM 687 C MET A 45 8.919 0.858 -14.673 1.00 0.00 C ATOM 688 O MET A 45 9.007 2.075 -14.802 1.00 0.00 O ATOM 689 CB MET A 45 9.148 -0.241 -12.449 1.00 0.00 C ATOM 690 CG MET A 45 8.421 -0.504 -11.127 1.00 0.00 C ATOM 691 SD MET A 45 7.813 1.061 -10.446 1.00 0.00 S ATOM 692 CE MET A 45 9.112 1.293 -9.207 1.00 0.00 C ATOM 0 H MET A 45 7.452 -1.721 -13.489 1.00 0.00 H new ATOM 0 HA MET A 45 7.511 1.025 -13.056 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.630 -1.154 -12.798 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.935 0.498 -12.301 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.589 -1.190 -11.288 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.096 -0.983 -10.418 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.848 2.126 -8.555 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.214 0.385 -8.613 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.057 1.508 -9.706 1.00 0.00 H new ATOM 702 N ARG A 46 9.466 -0.010 -15.532 1.00 0.00 N ATOM 703 CA ARG A 46 10.223 0.461 -16.701 1.00 0.00 C ATOM 704 C ARG A 46 9.329 1.296 -17.627 1.00 0.00 C ATOM 705 O ARG A 46 9.794 2.246 -18.262 1.00 0.00 O ATOM 706 CB ARG A 46 10.818 -0.718 -17.487 1.00 0.00 C ATOM 707 CG ARG A 46 9.701 -1.634 -17.999 1.00 0.00 C ATOM 708 CD ARG A 46 10.259 -2.588 -19.057 1.00 0.00 C ATOM 709 NE ARG A 46 9.175 -3.307 -19.730 1.00 0.00 N ATOM 710 CZ ARG A 46 9.413 -4.162 -20.733 1.00 0.00 C ATOM 711 NH1 ARG A 46 10.638 -4.382 -21.150 1.00 0.00 N ATOM 712 NH2 ARG A 46 8.414 -4.789 -21.301 1.00 0.00 N ATOM 0 H ARG A 46 9.402 -1.024 -15.444 1.00 0.00 H new ATOM 0 HA ARG A 46 11.038 1.084 -16.334 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.405 -0.345 -18.326 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.497 -1.283 -16.849 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.276 -2.202 -17.172 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.894 -1.037 -18.424 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.840 -2.027 -19.789 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.939 -3.300 -18.589 1.00 0.00 H new ATOM 0 HE ARG A 46 8.213 -3.153 -19.427 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.421 -3.900 -20.709 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.807 -5.035 -21.915 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.460 -4.625 -20.979 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.590 -5.441 -22.065 1.00 0.00 H new ATOM 726 N MET A 47 8.041 0.940 -17.683 1.00 0.00 N ATOM 727 CA MET A 47 7.081 1.666 -18.517 1.00 0.00 C ATOM 728 C MET A 47 6.671 2.981 -17.847 1.00 0.00 C ATOM 729 O MET A 47 6.391 3.973 -18.523 1.00 0.00 O ATOM 730 CB MET A 47 5.828 0.817 -18.754 1.00 0.00 C ATOM 731 CG MET A 47 6.111 -0.230 -19.834 1.00 0.00 C ATOM 732 SD MET A 47 6.099 0.562 -21.462 1.00 0.00 S ATOM 733 CE MET A 47 7.882 0.492 -21.767 1.00 0.00 C ATOM 0 H MET A 47 7.642 0.158 -17.163 1.00 0.00 H new ATOM 0 HA MET A 47 7.562 1.880 -19.471 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.529 0.326 -17.828 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.998 1.454 -19.060 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.077 -0.701 -19.654 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.360 -1.019 -19.796 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.226 1.457 -22.139 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.401 0.255 -20.838 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.094 -0.279 -22.508 1.00 0.00 H new ATOM 743 N LEU A 48 6.642 2.974 -16.510 1.00 0.00 N ATOM 744 CA LEU A 48 6.269 4.165 -15.742 1.00 0.00 C ATOM 745 C LEU A 48 7.432 5.163 -15.688 1.00 0.00 C ATOM 746 O LEU A 48 7.220 6.374 -15.600 1.00 0.00 O ATOM 747 CB LEU A 48 5.877 3.770 -14.312 1.00 0.00 C ATOM 748 CG LEU A 48 4.389 3.445 -14.096 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.837 2.672 -15.299 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.232 2.593 -12.834 1.00 0.00 C ATOM 0 H LEU A 48 6.871 2.160 -15.940 1.00 0.00 H new ATOM 0 HA LEU A 48 5.420 4.635 -16.239 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.466 2.901 -14.020 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.154 4.583 -13.641 1.00 0.00 H new ATOM 0 HG LEU A 48 3.835 4.377 -13.985 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.783 2.448 -15.135 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.943 3.277 -16.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.392 1.741 -15.419 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.178 2.362 -12.680 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.794 1.666 -12.949 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.612 3.144 -11.974 1.00 0.00 H new ATOM 762 N GLY A 49 8.661 4.639 -15.749 1.00 0.00 N ATOM 763 CA GLY A 49 9.861 5.482 -15.714 1.00 0.00 C ATOM 764 C GLY A 49 10.728 5.186 -14.484 1.00 0.00 C ATOM 765 O GLY A 49 11.408 6.074 -13.968 1.00 0.00 O ATOM 0 H GLY A 49 8.851 3.639 -15.823 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.446 5.319 -16.619 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.568 6.532 -15.708 1.00 0.00 H new ATOM 769 N GLN A 50 10.700 3.930 -14.025 1.00 0.00 N ATOM 770 CA GLN A 50 11.485 3.519 -12.857 1.00 0.00 C ATOM 771 C GLN A 50 12.242 2.222 -13.153 1.00 0.00 C ATOM 772 O GLN A 50 11.874 1.465 -14.053 1.00 0.00 O ATOM 773 CB GLN A 50 10.575 3.288 -11.641 1.00 0.00 C ATOM 774 CG GLN A 50 9.592 4.455 -11.481 1.00 0.00 C ATOM 775 CD GLN A 50 10.335 5.711 -11.025 1.00 0.00 C ATOM 776 OE1 GLN A 50 11.181 5.652 -10.132 1.00 0.00 O ATOM 777 NE2 GLN A 50 10.064 6.857 -11.591 1.00 0.00 N ATOM 0 H GLN A 50 10.144 3.184 -14.443 1.00 0.00 H new ATOM 0 HA GLN A 50 12.191 4.319 -12.636 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.025 2.355 -11.762 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.180 3.187 -10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.086 4.646 -12.427 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.822 4.195 -10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.364 6.907 -12.331 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.553 7.701 -11.293 1.00 0.00 H new ATOM 786 N ASN A 51 13.304 1.976 -12.381 1.00 0.00 N ATOM 787 CA ASN A 51 14.108 0.765 -12.564 1.00 0.00 C ATOM 788 C ASN A 51 14.829 0.396 -11.260 1.00 0.00 C ATOM 789 O ASN A 51 16.050 0.535 -11.148 1.00 0.00 O ATOM 790 CB ASN A 51 15.139 0.980 -13.683 1.00 0.00 C ATOM 791 CG ASN A 51 15.623 -0.372 -14.206 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.854 -1.126 -14.801 1.00 0.00 O ATOM 793 ND2 ASN A 51 16.867 -0.725 -14.019 1.00 0.00 N ATOM 0 H ASN A 51 13.624 2.591 -11.633 1.00 0.00 H new ATOM 0 HA ASN A 51 13.442 -0.052 -12.841 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.694 1.556 -14.494 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.983 1.558 -13.307 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.200 -1.625 -14.366 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.506 -0.101 -13.526 1.00 0.00 H new ATOM 800 N PRO A 52 14.074 -0.076 -10.257 1.00 0.00 N ATOM 801 CA PRO A 52 14.640 -0.465 -8.950 1.00 0.00 C ATOM 802 C PRO A 52 15.180 -1.902 -8.935 1.00 0.00 C ATOM 803 O PRO A 52 15.442 -2.494 -9.986 1.00 0.00 O ATOM 804 CB PRO A 52 13.428 -0.330 -8.033 1.00 0.00 C ATOM 805 CG PRO A 52 12.187 -0.483 -8.903 1.00 0.00 C ATOM 806 CD PRO A 52 12.610 -0.249 -10.358 1.00 0.00 C ATOM 0 HA PRO A 52 15.499 0.142 -8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.448 -1.092 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.430 0.638 -7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.756 -1.477 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.421 0.234 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.347 -1.093 -10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.128 0.632 -10.781 1.00 0.00 H new ATOM 814 N THR A 53 15.330 -2.453 -7.727 1.00 0.00 N ATOM 815 CA THR A 53 15.827 -3.824 -7.557 1.00 0.00 C ATOM 816 C THR A 53 14.642 -4.755 -7.263 1.00 0.00 C ATOM 817 O THR A 53 13.507 -4.290 -7.142 1.00 0.00 O ATOM 818 CB THR A 53 16.850 -3.883 -6.403 1.00 0.00 C ATOM 819 OG1 THR A 53 16.172 -4.026 -5.161 1.00 0.00 O ATOM 820 CG2 THR A 53 17.688 -2.602 -6.371 1.00 0.00 C ATOM 0 H THR A 53 15.115 -1.973 -6.853 1.00 0.00 H new ATOM 0 HA THR A 53 16.324 -4.145 -8.472 1.00 0.00 H new ATOM 0 HB THR A 53 17.505 -4.739 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.827 -4.064 -4.433 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.405 -2.657 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.222 -2.493 -7.315 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.034 -1.743 -6.223 1.00 0.00 H new ATOM 828 N PRO A 54 14.877 -6.072 -7.128 1.00 0.00 N ATOM 829 CA PRO A 54 13.786 -7.023 -6.835 1.00 0.00 C ATOM 830 C PRO A 54 13.318 -6.931 -5.380 1.00 0.00 C ATOM 831 O PRO A 54 12.155 -7.198 -5.074 1.00 0.00 O ATOM 832 CB PRO A 54 14.422 -8.371 -7.148 1.00 0.00 C ATOM 833 CG PRO A 54 15.928 -8.186 -7.039 1.00 0.00 C ATOM 834 CD PRO A 54 16.217 -6.694 -7.244 1.00 0.00 C ATOM 0 HA PRO A 54 12.883 -6.831 -7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.075 -9.133 -6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.146 -8.705 -8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.287 -8.517 -6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.445 -8.785 -7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.906 -6.310 -6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.668 -6.501 -8.217 1.00 0.00 H new ATOM 842 N GLU A 55 14.234 -6.521 -4.495 1.00 0.00 N ATOM 843 CA GLU A 55 13.905 -6.360 -3.079 1.00 0.00 C ATOM 844 C GLU A 55 13.206 -5.016 -2.853 1.00 0.00 C ATOM 845 O GLU A 55 12.330 -4.895 -1.995 1.00 0.00 O ATOM 846 CB GLU A 55 15.172 -6.418 -2.220 1.00 0.00 C ATOM 847 CG GLU A 55 15.764 -7.829 -2.275 1.00 0.00 C ATOM 848 CD GLU A 55 16.604 -8.083 -1.026 1.00 0.00 C ATOM 849 OE1 GLU A 55 16.021 -8.304 0.022 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.819 -8.056 -1.137 1.00 0.00 O ATOM 0 H GLU A 55 15.200 -6.297 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 55 13.240 -7.174 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.901 -5.692 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.938 -6.151 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.965 -8.567 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.379 -7.941 -3.168 1.00 0.00 H new ATOM 857 N GLU A 56 13.613 -4.009 -3.640 1.00 0.00 N ATOM 858 CA GLU A 56 13.036 -2.667 -3.535 1.00 0.00 C ATOM 859 C GLU A 56 11.643 -2.615 -4.167 1.00 0.00 C ATOM 860 O GLU A 56 10.748 -1.940 -3.658 1.00 0.00 O ATOM 861 CB GLU A 56 13.937 -1.647 -4.236 1.00 0.00 C ATOM 862 CG GLU A 56 13.904 -0.319 -3.474 1.00 0.00 C ATOM 863 CD GLU A 56 14.137 0.834 -4.446 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.206 1.189 -5.149 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.245 1.348 -4.473 1.00 0.00 O ATOM 0 H GLU A 56 14.337 -4.101 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 56 12.955 -2.424 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.959 -2.024 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.602 -1.497 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.943 -0.198 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.669 -0.314 -2.698 1.00 0.00 H new ATOM 872 N LEU A 57 11.468 -3.328 -5.286 1.00 0.00 N ATOM 873 CA LEU A 57 10.177 -3.343 -5.973 1.00 0.00 C ATOM 874 C LEU A 57 9.143 -4.162 -5.191 1.00 0.00 C ATOM 875 O LEU A 57 7.955 -3.861 -5.229 1.00 0.00 O ATOM 876 CB LEU A 57 10.320 -3.910 -7.393 1.00 0.00 C ATOM 877 CG LEU A 57 10.526 -5.429 -7.501 1.00 0.00 C ATOM 878 CD1 LEU A 57 9.172 -6.147 -7.470 1.00 0.00 C ATOM 879 CD2 LEU A 57 11.235 -5.751 -8.820 1.00 0.00 C ATOM 0 H LEU A 57 12.193 -3.893 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 57 9.829 -2.312 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.427 -3.645 -7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.163 -3.415 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 57 11.131 -5.767 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.329 -7.223 -7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.662 -5.921 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.561 -5.808 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.383 -6.828 -8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.625 -5.405 -9.655 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.202 -5.249 -8.845 1.00 0.00 H new ATOM 891 N GLN A 58 9.605 -5.202 -4.488 1.00 0.00 N ATOM 892 CA GLN A 58 8.693 -6.051 -3.714 1.00 0.00 C ATOM 893 C GLN A 58 8.185 -5.330 -2.461 1.00 0.00 C ATOM 894 O GLN A 58 6.994 -5.381 -2.151 1.00 0.00 O ATOM 895 CB GLN A 58 9.389 -7.352 -3.298 1.00 0.00 C ATOM 896 CG GLN A 58 8.348 -8.350 -2.774 1.00 0.00 C ATOM 897 CD GLN A 58 7.395 -8.749 -3.901 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.727 -9.595 -4.732 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.217 -8.186 -3.980 1.00 0.00 N ATOM 0 H GLN A 58 10.587 -5.473 -4.439 1.00 0.00 H new ATOM 0 HA GLN A 58 7.842 -6.280 -4.356 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.921 -7.779 -4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.132 -7.148 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.847 -9.234 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.787 -7.905 -1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.940 -7.485 -3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.576 -8.448 -4.729 1.00 0.00 H new ATOM 908 N GLU A 59 9.097 -4.668 -1.738 1.00 0.00 N ATOM 909 CA GLU A 59 8.723 -3.952 -0.512 1.00 0.00 C ATOM 910 C GLU A 59 7.706 -2.837 -0.790 1.00 0.00 C ATOM 911 O GLU A 59 6.819 -2.586 0.028 1.00 0.00 O ATOM 912 CB GLU A 59 9.963 -3.358 0.171 1.00 0.00 C ATOM 913 CG GLU A 59 10.667 -2.374 -0.768 1.00 0.00 C ATOM 914 CD GLU A 59 11.835 -1.718 -0.038 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.924 -2.266 -0.091 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.624 -0.677 0.562 1.00 0.00 O ATOM 0 H GLU A 59 10.087 -4.613 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 59 8.258 -4.680 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.672 -2.849 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.649 -4.157 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.026 -2.896 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.964 -1.614 -1.108 1.00 0.00 H new ATOM 923 N MET A 60 7.833 -2.176 -1.948 1.00 0.00 N ATOM 924 CA MET A 60 6.900 -1.099 -2.303 1.00 0.00 C ATOM 925 C MET A 60 5.545 -1.677 -2.726 1.00 0.00 C ATOM 926 O MET A 60 4.502 -1.053 -2.519 1.00 0.00 O ATOM 927 CB MET A 60 7.466 -0.219 -3.430 1.00 0.00 C ATOM 928 CG MET A 60 7.682 -1.046 -4.700 1.00 0.00 C ATOM 929 SD MET A 60 7.700 0.049 -6.140 1.00 0.00 S ATOM 930 CE MET A 60 7.065 -1.149 -7.338 1.00 0.00 C ATOM 0 H MET A 60 8.557 -2.362 -2.642 1.00 0.00 H new ATOM 0 HA MET A 60 6.762 -0.478 -1.418 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.780 0.603 -3.637 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.410 0.225 -3.113 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.622 -1.593 -4.634 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.889 -1.787 -4.803 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.223 -0.772 -8.348 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.590 -2.097 -7.218 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.999 -1.301 -7.170 1.00 0.00 H new ATOM 940 N ILE A 61 5.573 -2.882 -3.306 1.00 0.00 N ATOM 941 CA ILE A 61 4.342 -3.548 -3.739 1.00 0.00 C ATOM 942 C ILE A 61 3.543 -3.998 -2.520 1.00 0.00 C ATOM 943 O ILE A 61 2.347 -3.744 -2.425 1.00 0.00 O ATOM 944 CB ILE A 61 4.664 -4.769 -4.613 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.198 -4.293 -5.962 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.399 -5.606 -4.840 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.947 -5.434 -6.648 1.00 0.00 C ATOM 0 H ILE A 61 6.427 -3.411 -3.485 1.00 0.00 H new ATOM 0 HA ILE A 61 3.756 -2.840 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 61 5.411 -5.381 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.375 -3.955 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.863 -3.441 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.640 -6.469 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.011 -5.947 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.645 -4.998 -5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.327 -5.093 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.780 -5.752 -6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.269 -6.273 -6.803 1.00 0.00 H new ATOM 959 N ASP A 62 4.228 -4.664 -1.589 1.00 0.00 N ATOM 960 CA ASP A 62 3.581 -5.147 -0.365 1.00 0.00 C ATOM 961 C ASP A 62 2.886 -3.996 0.371 1.00 0.00 C ATOM 962 O ASP A 62 1.806 -4.173 0.939 1.00 0.00 O ATOM 963 CB ASP A 62 4.611 -5.793 0.567 1.00 0.00 C ATOM 964 CG ASP A 62 4.783 -7.264 0.194 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.558 -7.541 -0.708 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.136 -8.090 0.813 1.00 0.00 O ATOM 0 H ASP A 62 5.222 -4.881 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 62 2.836 -5.890 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.566 -5.273 0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.285 -5.705 1.603 1.00 0.00 H new ATOM 971 N GLU A 63 3.516 -2.814 0.345 1.00 0.00 N ATOM 972 CA GLU A 63 2.951 -1.631 1.005 1.00 0.00 C ATOM 973 C GLU A 63 1.613 -1.235 0.371 1.00 0.00 C ATOM 974 O GLU A 63 0.625 -1.014 1.075 1.00 0.00 O ATOM 975 CB GLU A 63 3.914 -0.445 0.896 1.00 0.00 C ATOM 976 CG GLU A 63 4.973 -0.540 1.998 1.00 0.00 C ATOM 977 CD GLU A 63 5.977 0.599 1.836 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.902 0.441 1.055 1.00 0.00 O ATOM 979 OE2 GLU A 63 5.804 1.612 2.495 1.00 0.00 O ATOM 0 H GLU A 63 4.409 -2.653 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 63 2.793 -1.885 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.393 -0.441 -0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.364 0.492 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.500 -0.485 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.485 -1.501 1.944 1.00 0.00 H new ATOM 986 N VAL A 64 1.596 -1.142 -0.963 1.00 0.00 N ATOM 987 CA VAL A 64 0.375 -0.766 -1.684 1.00 0.00 C ATOM 988 C VAL A 64 -0.628 -1.932 -1.732 1.00 0.00 C ATOM 989 O VAL A 64 -1.838 -1.713 -1.835 1.00 0.00 O ATOM 990 CB VAL A 64 0.712 -0.302 -3.113 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.341 -1.445 -3.914 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.564 0.170 -3.818 1.00 0.00 C ATOM 0 H VAL A 64 2.404 -1.320 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.087 0.059 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 64 1.424 0.521 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.573 -1.099 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.258 -1.772 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.641 -2.279 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.321 0.498 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.279 -0.651 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.001 1.000 -3.263 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.119 -3.168 -1.646 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.983 -4.347 -1.670 1.00 0.00 C ATOM 1004 C ASP A 65 -1.647 -4.533 -0.306 1.00 0.00 C ATOM 1005 O ASP A 65 -1.045 -5.066 0.630 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.180 -5.606 -2.025 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.883 -6.367 -3.147 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.878 -7.010 -2.866 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.413 -6.295 -4.270 1.00 0.00 O ATOM 0 H ASP A 65 0.877 -3.373 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.747 -4.195 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.828 -5.330 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.080 -6.244 -1.147 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.896 -4.069 -0.207 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.659 -4.164 1.045 1.00 0.00 C ATOM 1016 C GLU A 66 -3.797 -5.614 1.518 1.00 0.00 C ATOM 1017 O GLU A 66 -3.821 -5.885 2.720 1.00 0.00 O ATOM 1018 CB GLU A 66 -5.062 -3.566 0.867 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.802 -4.279 -0.272 1.00 0.00 C ATOM 1020 CD GLU A 66 -7.253 -3.807 -0.317 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.496 -2.754 -0.882 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -8.099 -4.510 0.211 1.00 0.00 O ATOM 0 H GLU A 66 -3.400 -3.625 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.106 -3.602 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.627 -3.663 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.986 -2.500 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.312 -4.071 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.765 -5.358 -0.123 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.895 -6.538 0.560 1.00 0.00 N ATOM 1030 CA ASP A 67 -4.042 -7.961 0.887 1.00 0.00 C ATOM 1031 C ASP A 67 -2.706 -8.701 0.778 1.00 0.00 C ATOM 1032 O ASP A 67 -2.451 -9.643 1.530 1.00 0.00 O ATOM 1033 CB ASP A 67 -5.071 -8.636 -0.038 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.904 -8.145 -1.478 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.119 -8.735 -2.197 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -5.568 -7.186 -1.839 1.00 0.00 O ATOM 0 H ASP A 67 -3.876 -6.332 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.393 -8.016 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.947 -9.718 -0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.080 -8.418 0.312 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.863 -8.276 -0.169 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.565 -8.922 -0.371 1.00 0.00 C ATOM 1043 C GLY A 68 -0.757 -10.307 -0.983 1.00 0.00 C ATOM 1044 O GLY A 68 -0.203 -11.297 -0.502 1.00 0.00 O ATOM 0 H GLY A 68 -2.054 -7.497 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.056 -8.310 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.040 -9.006 0.581 1.00 0.00 H new ATOM 1048 N SER A 69 -1.564 -10.358 -2.045 1.00 0.00 N ATOM 1049 CA SER A 69 -1.856 -11.623 -2.730 1.00 0.00 C ATOM 1050 C SER A 69 -0.809 -11.958 -3.802 1.00 0.00 C ATOM 1051 O SER A 69 -0.923 -12.980 -4.485 1.00 0.00 O ATOM 1052 CB SER A 69 -3.228 -11.548 -3.405 1.00 0.00 C ATOM 1053 OG SER A 69 -3.277 -10.404 -4.254 1.00 0.00 O ATOM 0 H SER A 69 -2.026 -9.543 -2.449 1.00 0.00 H new ATOM 0 HA SER A 69 -1.839 -12.405 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.410 -12.453 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.013 -11.489 -2.651 1.00 0.00 H new ATOM 0 HG SER A 69 -3.568 -9.625 -3.736 1.00 0.00 H new ATOM 1059 N GLY A 70 0.193 -11.087 -3.969 1.00 0.00 N ATOM 1060 CA GLY A 70 1.220 -11.307 -4.986 1.00 0.00 C ATOM 1061 C GLY A 70 0.736 -10.807 -6.351 1.00 0.00 C ATOM 1062 O GLY A 70 1.316 -11.138 -7.387 1.00 0.00 O ATOM 0 H GLY A 70 0.312 -10.236 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.136 -10.787 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.461 -12.368 -5.045 1.00 0.00 H new ATOM 1066 N THR A 71 -0.338 -10.004 -6.335 1.00 0.00 N ATOM 1067 CA THR A 71 -0.908 -9.456 -7.563 1.00 0.00 C ATOM 1068 C THR A 71 -1.445 -8.051 -7.292 1.00 0.00 C ATOM 1069 O THR A 71 -2.127 -7.817 -6.291 1.00 0.00 O ATOM 1070 CB THR A 71 -2.047 -10.348 -8.083 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.166 -10.259 -7.209 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.574 -11.802 -8.155 1.00 0.00 C ATOM 0 H THR A 71 -0.825 -9.723 -5.484 1.00 0.00 H new ATOM 0 HA THR A 71 -0.126 -9.416 -8.321 1.00 0.00 H new ATOM 0 HB THR A 71 -2.336 -10.010 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.864 -10.347 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.385 -12.430 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.722 -11.874 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.278 -12.138 -7.161 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.125 -7.119 -8.186 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.577 -5.741 -8.018 1.00 0.00 C ATOM 1082 C VAL A 72 -2.944 -5.544 -8.659 1.00 0.00 C ATOM 1083 O VAL A 72 -3.126 -5.785 -9.855 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.591 -4.747 -8.642 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.932 -3.327 -8.176 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.835 -5.090 -8.209 1.00 0.00 C ATOM 0 H VAL A 72 -0.564 -7.288 -9.021 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.640 -5.552 -6.946 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.664 -4.806 -9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.231 -2.620 -8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.946 -3.076 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.862 -3.274 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.531 -4.380 -8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.908 -5.036 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.083 -6.099 -8.540 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.890 -5.076 -7.851 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.240 -4.805 -8.336 1.00 0.00 C ATOM 1098 C ASP A 73 -5.254 -3.416 -8.967 1.00 0.00 C ATOM 1099 O ASP A 73 -4.370 -2.605 -8.695 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.253 -4.840 -7.182 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.336 -6.250 -6.596 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.468 -6.601 -5.811 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.273 -6.954 -6.935 1.00 0.00 O ATOM 0 H ASP A 73 -3.748 -4.877 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.518 -5.567 -9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.957 -4.133 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.234 -4.529 -7.540 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.250 -3.141 -9.808 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.334 -1.829 -10.451 1.00 0.00 C ATOM 1110 C PHE A 74 -6.398 -0.713 -9.399 1.00 0.00 C ATOM 1111 O PHE A 74 -5.898 0.390 -9.623 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.556 -1.749 -11.371 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.444 -0.536 -12.258 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.235 -0.248 -12.903 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.549 0.298 -12.437 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.136 0.875 -13.727 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.451 1.422 -13.259 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.245 1.713 -13.904 1.00 0.00 C ATOM 0 H PHE A 74 -6.995 -3.792 -10.057 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.435 -1.694 -11.053 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.625 -2.651 -11.979 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.468 -1.694 -10.777 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.380 -0.893 -12.763 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.481 0.073 -11.939 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.205 1.098 -14.228 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.306 2.067 -13.397 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.168 2.584 -14.539 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.992 -1.026 -8.239 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.083 -0.056 -7.145 1.00 0.00 C ATOM 1130 C ASP A 75 -5.693 0.170 -6.543 1.00 0.00 C ATOM 1131 O ASP A 75 -5.287 1.308 -6.304 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.033 -0.555 -6.050 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.450 -0.662 -6.608 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.126 0.354 -6.658 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.838 -1.757 -6.978 1.00 0.00 O ATOM 0 H ASP A 75 -7.412 -1.934 -8.037 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.473 0.879 -7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.702 -1.526 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.017 0.129 -5.201 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.962 -0.933 -6.329 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.602 -0.859 -5.782 1.00 0.00 C ATOM 1142 C GLU A 76 -2.655 -0.230 -6.816 1.00 0.00 C ATOM 1143 O GLU A 76 -1.674 0.426 -6.465 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.087 -2.260 -5.414 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.055 -2.933 -4.424 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.649 -4.393 -4.175 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.045 -4.993 -5.052 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.960 -4.895 -3.108 1.00 0.00 O ATOM 0 H GLU A 76 -5.287 -1.880 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.629 -0.243 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.991 -2.869 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.094 -2.187 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.058 -2.385 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.071 -2.895 -4.818 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.978 -0.439 -8.099 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.184 0.102 -9.205 1.00 0.00 C ATOM 1157 C PHE A 77 -2.257 1.629 -9.215 1.00 0.00 C ATOM 1158 O PHE A 77 -1.233 2.313 -9.267 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.738 -0.431 -10.536 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.649 -0.650 -11.564 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.309 -0.852 -11.187 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.000 -0.668 -12.917 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.665 -1.064 -12.168 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.026 -0.885 -13.892 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.306 -1.081 -13.520 1.00 0.00 C ATOM 0 H PHE A 77 -3.789 -0.982 -8.396 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.147 -0.207 -9.077 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.262 -1.370 -10.359 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.471 0.273 -10.930 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.033 -0.843 -10.143 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.028 -0.513 -13.208 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.695 -1.215 -11.882 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.302 -0.901 -14.936 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.059 -1.246 -14.276 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.488 2.146 -9.161 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.714 3.595 -9.161 1.00 0.00 C ATOM 1177 C LEU A 78 -3.300 4.214 -7.821 1.00 0.00 C ATOM 1178 O LEU A 78 -2.909 5.381 -7.765 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.193 3.905 -9.427 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.586 4.016 -10.908 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.000 2.843 -11.697 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.112 4.000 -11.031 1.00 0.00 C ATOM 0 H LEU A 78 -4.340 1.586 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.103 4.027 -9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.799 3.126 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.446 4.842 -8.930 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.193 4.949 -11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.285 2.931 -12.745 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.913 2.855 -11.614 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.384 1.906 -11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.393 4.079 -12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.500 3.068 -10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.530 4.842 -10.479 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.375 3.417 -6.746 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.989 3.894 -5.414 1.00 0.00 C ATOM 1196 C VAL A 79 -1.511 4.300 -5.418 1.00 0.00 C ATOM 1197 O VAL A 79 -1.147 5.359 -4.912 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.241 2.797 -4.361 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.197 2.868 -3.243 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.636 2.987 -3.757 1.00 0.00 C ATOM 0 H VAL A 79 -3.696 2.449 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.594 4.763 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.169 1.824 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.394 2.085 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.202 2.728 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.251 3.842 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.818 2.213 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.697 3.967 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.386 2.916 -4.545 1.00 0.00 H new ATOM 1210 N MET A 80 -0.670 3.439 -6.001 1.00 0.00 N ATOM 1211 CA MET A 80 0.772 3.705 -6.087 1.00 0.00 C ATOM 1212 C MET A 80 1.058 5.116 -6.629 1.00 0.00 C ATOM 1213 O MET A 80 2.074 5.721 -6.283 1.00 0.00 O ATOM 1214 CB MET A 80 1.448 2.675 -6.998 1.00 0.00 C ATOM 1215 CG MET A 80 2.670 2.088 -6.289 1.00 0.00 C ATOM 1216 SD MET A 80 3.740 1.273 -7.502 1.00 0.00 S ATOM 1217 CE MET A 80 3.015 -0.380 -7.376 1.00 0.00 C ATOM 0 H MET A 80 -0.960 2.555 -6.419 1.00 0.00 H new ATOM 0 HA MET A 80 1.175 3.632 -5.077 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.745 1.881 -7.251 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.749 3.145 -7.935 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.220 2.877 -5.776 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.354 1.373 -5.529 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.096 -0.887 -8.337 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.547 -0.954 -6.617 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.965 -0.296 -7.097 1.00 0.00 H new ATOM 1227 N MET A 81 0.153 5.637 -7.475 1.00 0.00 N ATOM 1228 CA MET A 81 0.327 6.980 -8.044 1.00 0.00 C ATOM 1229 C MET A 81 0.275 8.034 -6.935 1.00 0.00 C ATOM 1230 O MET A 81 1.211 8.821 -6.767 1.00 0.00 O ATOM 1231 CB MET A 81 -0.770 7.279 -9.078 1.00 0.00 C ATOM 1232 CG MET A 81 -0.572 8.685 -9.659 1.00 0.00 C ATOM 1233 SD MET A 81 -0.340 8.572 -11.449 1.00 0.00 S ATOM 1234 CE MET A 81 1.357 7.942 -11.422 1.00 0.00 C ATOM 0 H MET A 81 -0.694 5.155 -7.775 1.00 0.00 H new ATOM 0 HA MET A 81 1.299 7.015 -8.536 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.740 6.538 -9.877 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.752 7.204 -8.611 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.437 9.309 -9.433 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.294 9.161 -9.199 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.714 7.813 -12.444 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.000 8.651 -10.900 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.381 6.982 -10.906 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.825 8.031 -6.174 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.990 8.985 -5.069 1.00 0.00 C ATOM 1246 C VAL A 82 0.027 8.698 -3.959 1.00 0.00 C ATOM 1247 O VAL A 82 0.468 9.610 -3.260 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.408 8.916 -4.483 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.426 9.323 -5.550 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.714 7.491 -4.010 1.00 0.00 C ATOM 0 H VAL A 82 -1.606 7.387 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.823 9.985 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.472 9.598 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.431 9.273 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.220 10.341 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.353 8.645 -6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.722 7.453 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.642 6.804 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.996 7.200 -3.243 1.00 0.00 H new ATOM 1260 N ARG A 83 0.399 7.419 -3.819 1.00 0.00 N ATOM 1261 CA ARG A 83 1.375 7.009 -2.805 1.00 0.00 C ATOM 1262 C ARG A 83 2.688 7.768 -2.996 1.00 0.00 C ATOM 1263 O ARG A 83 3.323 8.184 -2.028 1.00 0.00 O ATOM 1264 CB ARG A 83 1.660 5.506 -2.907 1.00 0.00 C ATOM 1265 CG ARG A 83 0.509 4.712 -2.284 1.00 0.00 C ATOM 1266 CD ARG A 83 0.903 4.261 -0.875 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.073 3.309 -0.343 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.057 2.925 0.941 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.845 3.397 1.771 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -0.949 2.070 1.372 1.00 0.00 N ATOM 0 H ARG A 83 0.040 6.655 -4.392 1.00 0.00 H new ATOM 0 HA ARG A 83 0.954 7.235 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.786 5.221 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.594 5.269 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.390 5.327 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.274 3.846 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.891 3.801 -0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.970 5.127 -0.216 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.785 2.927 -0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.543 4.063 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.847 3.097 2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.651 1.700 0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.942 1.774 2.348 1.00 0.00 H new