USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 615 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 73 LYS NZ :NH3+ 180:sc= 0.125 (180deg=-0.122) USER MOD Set 1.2: A 75 TYR OH : rot 15:sc= 0.231 USER MOD Set 2.1: A 36 ASN : amide:sc= -0.857 X(o=-1.1,f=-1.5) USER MOD Set 2.2: A 53 HIS : no HE2:sc= -0.29 K(o=-1.1,f=-3.3!) USER MOD Set 3.1: A 14 THR OG1 : rot 80:sc= 0.574 USER MOD Set 3.2: A 19 GLN : amide:sc= 0.576 K(o=1.2,f=0) USER MOD Set 4.1: A 8 TYR OH : rot -158:sc= 0.09 USER MOD Set 4.2: A 82 HIS : no HD1:sc=-0.00991 X(o=0.08,f=-0.23) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.618 K(o=0.62,f=-4.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 80:sc= 1.06 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00361 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.0035) USER MOD Single : A 41 GLN : amide:sc= 1.94 K(o=1.9,f=-0.04) USER MOD Single : A 42 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.106 K(o=-0.11,f=-1) USER MOD Single : A 52 SER OG : rot 157:sc= -0.113 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -111:sc= -0.261 (180deg=-6.81!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 61 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= 0.347 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= 1.28 (180deg=0.904) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 5 -5.669 -12.508 -7.341 1.00 0.00 N ATOM 36 CA ILE A 5 -5.174 -11.538 -6.376 1.00 0.00 C ATOM 37 C ILE A 5 -6.322 -10.695 -5.827 1.00 0.00 C ATOM 38 O ILE A 5 -6.284 -10.236 -4.692 1.00 0.00 O ATOM 39 CB ILE A 5 -4.060 -10.657 -6.986 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.529 -9.874 -8.234 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.828 -11.511 -7.321 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.459 -8.910 -8.749 1.00 0.00 C ATOM 0 HA ILE A 5 -4.730 -12.082 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.795 -9.916 -6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.792 -10.577 -9.024 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.433 -9.315 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.052 -10.877 -7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.452 -11.980 -6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.105 -12.282 -8.040 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.835 -8.383 -9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.214 -8.188 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.564 -9.470 -9.019 1.00 0.00 H new ATOM 54 N ASP A 6 -7.399 -10.543 -6.596 1.00 0.00 N ATOM 55 CA ASP A 6 -8.569 -9.753 -6.231 1.00 0.00 C ATOM 56 C ASP A 6 -9.338 -10.345 -5.058 1.00 0.00 C ATOM 57 O ASP A 6 -10.127 -9.659 -4.414 1.00 0.00 O ATOM 58 CB ASP A 6 -9.471 -9.676 -7.449 1.00 0.00 C ATOM 59 CG ASP A 6 -10.481 -8.553 -7.314 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.082 -7.372 -7.452 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.688 -8.844 -7.172 1.00 0.00 O ATOM 0 H ASP A 6 -7.482 -10.979 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.235 -8.765 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.867 -9.520 -8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.993 -10.624 -7.579 1.00 0.00 H new ATOM 66 N GLN A 7 -9.066 -11.615 -4.770 1.00 0.00 N ATOM 67 CA GLN A 7 -9.482 -12.319 -3.570 1.00 0.00 C ATOM 68 C GLN A 7 -8.981 -11.637 -2.285 1.00 0.00 C ATOM 69 O GLN A 7 -9.614 -11.795 -1.245 1.00 0.00 O ATOM 70 CB GLN A 7 -9.024 -13.785 -3.690 1.00 0.00 C ATOM 71 CG GLN A 7 -7.501 -14.006 -3.643 1.00 0.00 C ATOM 72 CD GLN A 7 -7.130 -15.467 -3.889 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.817 -16.385 -3.448 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.069 -15.744 -4.629 1.00 0.00 N ATOM 0 H GLN A 7 -8.523 -12.206 -5.400 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.569 -12.291 -3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.482 -14.358 -2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.404 -14.191 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.020 -13.378 -4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.118 -13.693 -2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.494 -14.987 -4.999 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.826 -16.714 -4.830 1.00 0.00 H new ATOM 83 N TYR A 8 -7.889 -10.868 -2.349 1.00 0.00 N ATOM 84 CA TYR A 8 -7.303 -10.145 -1.224 1.00 0.00 C ATOM 85 C TYR A 8 -7.677 -8.652 -1.241 1.00 0.00 C ATOM 86 O TYR A 8 -7.201 -7.901 -0.390 1.00 0.00 O ATOM 87 CB TYR A 8 -5.775 -10.311 -1.262 1.00 0.00 C ATOM 88 CG TYR A 8 -5.266 -11.732 -1.360 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.335 -12.573 -0.238 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.701 -12.205 -2.559 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.877 -13.897 -0.332 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.224 -13.522 -2.657 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.327 -14.378 -1.540 1.00 0.00 C ATOM 94 OH TYR A 8 -3.936 -15.678 -1.629 1.00 0.00 O ATOM 0 H TYR A 8 -7.373 -10.729 -3.218 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.703 -10.565 -0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.389 -9.748 -2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.357 -9.857 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.738 -12.203 0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.634 -11.548 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.946 -14.551 0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.783 -13.876 -3.577 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.285 -15.775 -2.355 1.00 0.00 H new ATOM 104 N ALA A 9 -8.437 -8.186 -2.244 1.00 0.00 N ATOM 105 CA ALA A 9 -8.726 -6.774 -2.446 1.00 0.00 C ATOM 106 C ALA A 9 -9.836 -6.349 -1.493 1.00 0.00 C ATOM 107 O ALA A 9 -11.002 -6.670 -1.737 1.00 0.00 O ATOM 108 CB ALA A 9 -9.126 -6.500 -3.901 1.00 0.00 C ATOM 0 H ALA A 9 -8.869 -8.793 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.828 -6.192 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.337 -5.438 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.310 -6.789 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.016 -7.078 -4.149 1.00 0.00 H new ATOM 114 N LEU A 10 -9.483 -5.637 -0.424 1.00 0.00 N ATOM 115 CA LEU A 10 -10.455 -5.231 0.578 1.00 0.00 C ATOM 116 C LEU A 10 -11.223 -4.040 0.030 1.00 0.00 C ATOM 117 O LEU A 10 -10.618 -3.045 -0.361 1.00 0.00 O ATOM 118 CB LEU A 10 -9.750 -4.892 1.900 1.00 0.00 C ATOM 119 CG LEU A 10 -9.036 -6.107 2.538 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.538 -5.737 3.935 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.933 -7.344 2.671 1.00 0.00 C ATOM 0 H LEU A 10 -8.529 -5.331 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.151 -6.043 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.021 -4.102 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.482 -4.498 2.604 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.214 -6.359 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.036 -6.595 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.839 -4.904 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.384 -5.448 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.367 -8.157 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.792 -7.105 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.279 -7.651 1.684 1.00 0.00 H new ATOM 133 N LYS A 11 -12.552 -4.085 -0.018 1.00 0.00 N ATOM 134 CA LYS A 11 -13.287 -2.898 -0.458 1.00 0.00 C ATOM 135 C LYS A 11 -13.108 -1.762 0.540 1.00 0.00 C ATOM 136 O LYS A 11 -13.083 -0.595 0.147 1.00 0.00 O ATOM 137 CB LYS A 11 -14.769 -3.217 -0.626 1.00 0.00 C ATOM 138 CG LYS A 11 -15.146 -3.422 -2.097 1.00 0.00 C ATOM 139 CD LYS A 11 -16.637 -3.755 -2.157 1.00 0.00 C ATOM 140 CE LYS A 11 -17.144 -3.933 -3.585 1.00 0.00 C ATOM 141 NZ LYS A 11 -18.579 -4.274 -3.582 1.00 0.00 N ATOM 0 H LYS A 11 -13.124 -4.892 0.230 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.886 -2.586 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.013 -4.116 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.365 -2.405 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.932 -2.523 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.557 -4.229 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.824 -4.669 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.202 -2.960 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.983 -3.016 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.578 -4.720 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.910 -4.392 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.724 -5.161 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.116 -3.510 -3.125 1.00 0.00 H new ATOM 155 N GLU A 12 -12.923 -2.093 1.812 1.00 0.00 N ATOM 156 CA GLU A 12 -12.870 -1.145 2.906 1.00 0.00 C ATOM 157 C GLU A 12 -12.098 -1.808 4.026 1.00 0.00 C ATOM 158 O GLU A 12 -12.057 -3.037 4.125 1.00 0.00 O ATOM 159 CB GLU A 12 -14.288 -0.736 3.357 1.00 0.00 C ATOM 160 CG GLU A 12 -15.164 -1.905 3.856 1.00 0.00 C ATOM 161 CD GLU A 12 -16.690 -1.671 3.861 1.00 0.00 C ATOM 162 OE1 GLU A 12 -17.191 -0.571 3.532 1.00 0.00 O ATOM 163 OE2 GLU A 12 -17.433 -2.613 4.244 1.00 0.00 O ATOM 0 H GLU A 12 -12.803 -3.060 2.115 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.375 -0.224 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.203 0.003 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.794 -0.249 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.955 -2.777 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.854 -2.154 4.871 1.00 0.00 H new ATOM 170 N PHE A 13 -11.487 -0.985 4.856 1.00 0.00 N ATOM 171 CA PHE A 13 -10.832 -1.380 6.093 1.00 0.00 C ATOM 172 C PHE A 13 -10.727 -0.154 7.001 1.00 0.00 C ATOM 173 O PHE A 13 -11.063 0.961 6.598 1.00 0.00 O ATOM 174 CB PHE A 13 -9.451 -2.019 5.827 1.00 0.00 C ATOM 175 CG PHE A 13 -8.412 -1.116 5.190 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.493 -0.779 3.824 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.345 -0.627 5.969 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.555 0.101 3.261 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.385 0.221 5.394 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.512 0.616 4.051 1.00 0.00 C ATOM 0 H PHE A 13 -11.430 0.018 4.682 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.427 -2.146 6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.054 -2.385 6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.592 -2.887 5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.277 -1.198 3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.265 -0.905 7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.635 0.382 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.550 0.570 5.983 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.808 1.316 3.626 1.00 0.00 H new ATOM 190 N THR A 14 -10.220 -0.354 8.210 1.00 0.00 N ATOM 191 CA THR A 14 -9.888 0.681 9.170 1.00 0.00 C ATOM 192 C THR A 14 -8.434 0.427 9.568 1.00 0.00 C ATOM 193 O THR A 14 -8.031 -0.726 9.734 1.00 0.00 O ATOM 194 CB THR A 14 -10.865 0.606 10.363 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.219 0.732 9.960 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.636 1.672 11.438 1.00 0.00 C ATOM 0 H THR A 14 -10.021 -1.290 8.562 1.00 0.00 H new ATOM 0 HA THR A 14 -9.985 1.689 8.767 1.00 0.00 H new ATOM 0 HB THR A 14 -10.661 -0.379 10.782 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.538 -0.127 9.612 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.366 1.545 12.238 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.630 1.568 11.845 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.749 2.663 10.998 1.00 0.00 H new ATOM 204 N ALA A 15 -7.626 1.476 9.704 1.00 0.00 N ATOM 205 CA ALA A 15 -6.282 1.415 10.262 1.00 0.00 C ATOM 206 C ALA A 15 -6.046 2.717 11.024 1.00 0.00 C ATOM 207 O ALA A 15 -6.601 3.750 10.651 1.00 0.00 O ATOM 208 CB ALA A 15 -5.249 1.219 9.145 1.00 0.00 C ATOM 0 H ALA A 15 -7.898 2.417 9.420 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.177 0.567 10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.249 1.175 9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.457 0.289 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.306 2.054 8.446 1.00 0.00 H new ATOM 214 N ASP A 16 -5.209 2.703 12.067 1.00 0.00 N ATOM 215 CA ASP A 16 -4.800 3.909 12.808 1.00 0.00 C ATOM 216 C ASP A 16 -6.019 4.753 13.254 1.00 0.00 C ATOM 217 O ASP A 16 -5.976 5.990 13.300 1.00 0.00 O ATOM 218 CB ASP A 16 -3.777 4.692 11.951 1.00 0.00 C ATOM 219 CG ASP A 16 -2.318 4.580 12.403 1.00 0.00 C ATOM 220 OD1 ASP A 16 -1.740 3.471 12.300 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.707 5.627 12.722 1.00 0.00 O ATOM 0 H ASP A 16 -4.790 1.846 12.427 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.310 3.627 13.740 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.848 4.342 10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.060 5.745 11.950 1.00 0.00 H new ATOM 226 N PHE A 17 -7.112 4.058 13.597 1.00 0.00 N ATOM 227 CA PHE A 17 -8.418 4.580 14.013 1.00 0.00 C ATOM 228 C PHE A 17 -9.060 5.489 12.950 1.00 0.00 C ATOM 229 O PHE A 17 -9.664 6.512 13.270 1.00 0.00 O ATOM 230 CB PHE A 17 -8.330 5.244 15.402 1.00 0.00 C ATOM 231 CG PHE A 17 -7.513 4.479 16.427 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.084 3.431 17.176 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.159 4.805 16.612 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.299 2.714 18.098 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.374 4.080 17.518 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.940 3.036 18.260 1.00 0.00 C ATOM 0 H PHE A 17 -7.104 3.038 13.590 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.095 3.731 14.107 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.900 6.239 15.286 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.340 5.376 15.790 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.125 3.178 17.042 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.721 5.619 16.053 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.740 1.918 18.680 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.330 4.327 17.644 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.332 2.478 18.957 1.00 0.00 H new ATOM 246 N THR A 18 -8.911 5.154 11.668 1.00 0.00 N ATOM 247 CA THR A 18 -9.486 5.857 10.525 1.00 0.00 C ATOM 248 C THR A 18 -10.001 4.799 9.545 1.00 0.00 C ATOM 249 O THR A 18 -9.297 3.817 9.307 1.00 0.00 O ATOM 250 CB THR A 18 -8.384 6.735 9.912 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.950 7.673 10.889 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.829 7.517 8.674 1.00 0.00 C ATOM 0 H THR A 18 -8.358 4.344 11.387 1.00 0.00 H new ATOM 0 HA THR A 18 -10.319 6.503 10.800 1.00 0.00 H new ATOM 0 HB THR A 18 -7.589 6.058 9.599 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.245 8.238 10.509 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.996 8.112 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.153 6.820 7.901 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.656 8.176 8.938 1.00 0.00 H new ATOM 260 N GLN A 19 -11.224 4.952 9.031 1.00 0.00 N ATOM 261 CA GLN A 19 -11.792 4.063 8.021 1.00 0.00 C ATOM 262 C GLN A 19 -11.372 4.534 6.623 1.00 0.00 C ATOM 263 O GLN A 19 -11.097 5.722 6.417 1.00 0.00 O ATOM 264 CB GLN A 19 -13.317 3.989 8.208 1.00 0.00 C ATOM 265 CG GLN A 19 -13.994 2.957 7.287 1.00 0.00 C ATOM 266 CD GLN A 19 -15.146 2.227 7.968 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.322 2.543 7.785 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.827 1.231 8.777 1.00 0.00 N ATOM 0 H GLN A 19 -11.853 5.706 9.309 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.408 3.049 8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.537 3.739 9.246 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.747 4.972 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.365 3.461 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.253 2.229 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.848 0.982 8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.560 0.712 9.260 1.00 0.00 H new ATOM 277 N PHE A 20 -11.338 3.609 5.665 1.00 0.00 N ATOM 278 CA PHE A 20 -10.808 3.786 4.321 1.00 0.00 C ATOM 279 C PHE A 20 -11.587 2.936 3.326 1.00 0.00 C ATOM 280 O PHE A 20 -12.113 1.877 3.683 1.00 0.00 O ATOM 281 CB PHE A 20 -9.351 3.310 4.307 1.00 0.00 C ATOM 282 CG PHE A 20 -8.412 4.076 5.216 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.074 5.411 4.930 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.890 3.455 6.365 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.186 6.112 5.762 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.017 4.167 7.206 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.652 5.487 6.901 1.00 0.00 C ATOM 0 H PHE A 20 -11.699 2.667 5.817 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.887 4.837 4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.327 2.258 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.975 3.374 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.500 5.900 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.159 2.436 6.600 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.914 7.130 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.624 3.694 8.094 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.963 6.020 7.539 1.00 0.00 H new ATOM 297 N HIS A 21 -11.593 3.366 2.062 1.00 0.00 N ATOM 298 CA HIS A 21 -12.301 2.728 0.961 1.00 0.00 C ATOM 299 C HIS A 21 -11.487 2.893 -0.332 1.00 0.00 C ATOM 300 O HIS A 21 -10.578 3.730 -0.392 1.00 0.00 O ATOM 301 CB HIS A 21 -13.689 3.373 0.812 1.00 0.00 C ATOM 302 CG HIS A 21 -14.457 3.554 2.099 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.452 4.681 2.884 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.262 2.637 2.709 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.214 4.448 3.962 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.765 3.223 3.879 1.00 0.00 N ATOM 0 H HIS A 21 -11.084 4.201 1.771 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.426 1.664 1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.570 4.348 0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.285 2.761 0.135 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.953 5.547 2.681 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.474 1.639 2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.364 5.141 4.777 1.00 0.00 H new ATOM 314 N ILE A 22 -11.817 2.124 -1.379 1.00 0.00 N ATOM 315 CA ILE A 22 -11.155 2.207 -2.685 1.00 0.00 C ATOM 316 C ILE A 22 -11.478 3.568 -3.320 1.00 0.00 C ATOM 317 O ILE A 22 -12.545 3.750 -3.914 1.00 0.00 O ATOM 318 CB ILE A 22 -11.568 1.044 -3.626 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.344 -0.371 -3.052 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.870 1.163 -4.996 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.889 -0.835 -2.919 1.00 0.00 C ATOM 0 H ILE A 22 -12.556 1.422 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.079 2.114 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.646 1.157 -3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.808 -0.416 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.872 -1.083 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.178 0.335 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.149 2.106 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.789 1.132 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.865 -1.843 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.416 -0.835 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.350 -0.158 -2.257 1.00 0.00 H new ATOM 333 N GLY A 23 -10.540 4.508 -3.236 1.00 0.00 N ATOM 334 CA GLY A 23 -10.646 5.835 -3.837 1.00 0.00 C ATOM 335 C GLY A 23 -10.646 6.979 -2.824 1.00 0.00 C ATOM 336 O GLY A 23 -10.674 8.137 -3.244 1.00 0.00 O ATOM 0 H GLY A 23 -9.663 4.364 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.816 5.976 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.563 5.884 -4.425 1.00 0.00 H new ATOM 340 N ASP A 24 -10.592 6.674 -1.527 1.00 0.00 N ATOM 341 CA ASP A 24 -10.349 7.663 -0.476 1.00 0.00 C ATOM 342 C ASP A 24 -8.844 7.959 -0.418 1.00 0.00 C ATOM 343 O ASP A 24 -8.094 7.480 -1.266 1.00 0.00 O ATOM 344 CB ASP A 24 -10.913 7.144 0.862 1.00 0.00 C ATOM 345 CG ASP A 24 -12.438 7.214 0.943 1.00 0.00 C ATOM 346 OD1 ASP A 24 -13.109 7.622 -0.038 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.970 6.786 1.989 1.00 0.00 O ATOM 0 H ASP A 24 -10.717 5.725 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.862 8.600 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.595 6.111 1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.486 7.726 1.679 1.00 0.00 H new ATOM 352 N THR A 25 -8.359 8.748 0.536 1.00 0.00 N ATOM 353 CA THR A 25 -6.977 9.182 0.657 1.00 0.00 C ATOM 354 C THR A 25 -6.448 8.837 2.062 1.00 0.00 C ATOM 355 O THR A 25 -7.226 8.532 2.971 1.00 0.00 O ATOM 356 CB THR A 25 -6.904 10.691 0.331 1.00 0.00 C ATOM 357 OG1 THR A 25 -8.147 11.366 0.410 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.366 10.976 -1.074 1.00 0.00 C ATOM 0 H THR A 25 -8.950 9.118 1.280 1.00 0.00 H new ATOM 0 HA THR A 25 -6.334 8.661 -0.052 1.00 0.00 H new ATOM 0 HB THR A 25 -6.226 11.062 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.019 12.313 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.339 12.053 -1.242 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.359 10.569 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.016 10.509 -1.814 1.00 0.00 H new ATOM 366 N VAL A 26 -5.129 8.873 2.261 1.00 0.00 N ATOM 367 CA VAL A 26 -4.459 8.396 3.479 1.00 0.00 C ATOM 368 C VAL A 26 -4.000 9.569 4.349 1.00 0.00 C ATOM 369 O VAL A 26 -3.954 10.718 3.894 1.00 0.00 O ATOM 370 CB VAL A 26 -3.289 7.459 3.107 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.809 6.258 2.315 1.00 0.00 C ATOM 372 CG2 VAL A 26 -2.176 8.134 2.299 1.00 0.00 C ATOM 0 H VAL A 26 -4.480 9.242 1.566 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.171 7.823 4.073 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.851 7.150 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.976 5.604 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.529 5.708 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.293 6.606 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.394 7.407 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.586 8.519 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.755 8.957 2.877 1.00 0.00 H new ATOM 382 N PRO A 27 -3.674 9.326 5.624 1.00 0.00 N ATOM 383 CA PRO A 27 -2.898 10.267 6.405 1.00 0.00 C ATOM 384 C PRO A 27 -1.433 10.237 5.966 1.00 0.00 C ATOM 385 O PRO A 27 -0.929 9.219 5.480 1.00 0.00 O ATOM 386 CB PRO A 27 -3.099 9.823 7.850 1.00 0.00 C ATOM 387 CG PRO A 27 -3.278 8.318 7.736 1.00 0.00 C ATOM 388 CD PRO A 27 -4.049 8.173 6.429 1.00 0.00 C ATOM 0 HA PRO A 27 -3.211 11.303 6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.241 10.079 8.472 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.971 10.298 8.299 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.321 7.797 7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.833 7.911 8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.792 7.242 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.124 8.153 6.608 1.00 0.00 H new ATOM 396 N ALA A 28 -0.718 11.341 6.202 1.00 0.00 N ATOM 397 CA ALA A 28 0.694 11.447 5.848 1.00 0.00 C ATOM 398 C ALA A 28 1.566 10.437 6.605 1.00 0.00 C ATOM 399 O ALA A 28 2.666 10.116 6.154 1.00 0.00 O ATOM 400 CB ALA A 28 1.184 12.876 6.066 1.00 0.00 C ATOM 0 H ALA A 28 -1.101 12.178 6.641 1.00 0.00 H new ATOM 0 HA ALA A 28 0.788 11.200 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.239 12.944 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.607 13.558 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.057 13.148 7.114 1.00 0.00 H new ATOM 406 N MET A 29 1.036 9.856 7.685 1.00 0.00 N ATOM 407 CA MET A 29 1.643 8.784 8.468 1.00 0.00 C ATOM 408 C MET A 29 1.986 7.557 7.616 1.00 0.00 C ATOM 409 O MET A 29 2.811 6.754 8.043 1.00 0.00 O ATOM 410 CB MET A 29 0.720 8.358 9.625 1.00 0.00 C ATOM 411 CG MET A 29 -0.004 9.511 10.329 1.00 0.00 C ATOM 412 SD MET A 29 -0.031 9.446 12.134 1.00 0.00 S ATOM 413 CE MET A 29 1.537 10.274 12.485 1.00 0.00 C ATOM 0 H MET A 29 0.127 10.137 8.052 1.00 0.00 H new ATOM 0 HA MET A 29 2.573 9.187 8.869 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.025 7.662 9.239 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.312 7.815 10.362 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.465 10.447 10.026 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.033 9.540 9.971 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.688 10.325 13.563 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.354 9.714 12.030 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.516 11.283 12.074 1.00 0.00 H new ATOM 423 N TYR A 30 1.398 7.421 6.421 1.00 0.00 N ATOM 424 CA TYR A 30 1.710 6.360 5.466 1.00 0.00 C ATOM 425 C TYR A 30 2.303 6.881 4.157 1.00 0.00 C ATOM 426 O TYR A 30 2.799 6.087 3.363 1.00 0.00 O ATOM 427 CB TYR A 30 0.433 5.569 5.178 1.00 0.00 C ATOM 428 CG TYR A 30 -0.146 4.917 6.413 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.551 3.866 7.038 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.355 5.388 6.957 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.016 3.254 8.182 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.891 4.790 8.109 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.217 3.698 8.706 1.00 0.00 C ATOM 434 OH TYR A 30 -1.802 2.981 9.698 1.00 0.00 O ATOM 0 H TYR A 30 0.677 8.061 6.088 1.00 0.00 H new ATOM 0 HA TYR A 30 2.473 5.725 5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.311 6.236 4.743 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.647 4.801 4.434 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.496 3.531 6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.872 6.212 6.487 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.547 2.444 8.661 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.811 5.161 8.536 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.378 3.200 10.554 1.00 0.00 H new ATOM 444 N LEU A 31 2.265 8.194 3.912 1.00 0.00 N ATOM 445 CA LEU A 31 2.963 8.815 2.791 1.00 0.00 C ATOM 446 C LEU A 31 4.444 8.994 3.113 1.00 0.00 C ATOM 447 O LEU A 31 5.229 9.291 2.214 1.00 0.00 O ATOM 448 CB LEU A 31 2.317 10.170 2.447 1.00 0.00 C ATOM 449 CG LEU A 31 0.988 9.972 1.692 1.00 0.00 C ATOM 450 CD1 LEU A 31 -0.012 11.107 1.920 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.282 9.862 0.195 1.00 0.00 C ATOM 0 H LEU A 31 1.746 8.855 4.490 1.00 0.00 H new ATOM 0 HA LEU A 31 2.880 8.159 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.139 10.735 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.002 10.759 1.837 1.00 0.00 H new ATOM 0 HG LEU A 31 0.531 9.061 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.925 10.905 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.246 11.178 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.421 12.048 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.348 9.722 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.769 10.775 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.939 9.011 0.015 1.00 0.00 H new ATOM 463 N THR A 32 4.856 8.861 4.370 1.00 0.00 N ATOM 464 CA THR A 32 6.263 8.821 4.726 1.00 0.00 C ATOM 465 C THR A 32 6.888 7.550 4.107 1.00 0.00 C ATOM 466 O THR A 32 6.232 6.504 4.051 1.00 0.00 O ATOM 467 CB THR A 32 6.371 8.895 6.258 1.00 0.00 C ATOM 468 OG1 THR A 32 7.716 8.980 6.671 1.00 0.00 O ATOM 469 CG2 THR A 32 5.741 7.699 6.954 1.00 0.00 C ATOM 0 H THR A 32 4.223 8.778 5.166 1.00 0.00 H new ATOM 0 HA THR A 32 6.823 9.667 4.329 1.00 0.00 H new ATOM 0 HB THR A 32 5.826 9.795 6.543 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.755 9.028 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.848 7.808 8.033 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.683 7.645 6.698 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.240 6.785 6.630 1.00 0.00 H new ATOM 477 N PRO A 33 8.157 7.591 3.664 1.00 0.00 N ATOM 478 CA PRO A 33 8.850 6.429 3.118 1.00 0.00 C ATOM 479 C PRO A 33 9.212 5.363 4.163 1.00 0.00 C ATOM 480 O PRO A 33 9.735 4.305 3.811 1.00 0.00 O ATOM 481 CB PRO A 33 10.075 6.970 2.394 1.00 0.00 C ATOM 482 CG PRO A 33 10.370 8.290 3.107 1.00 0.00 C ATOM 483 CD PRO A 33 8.996 8.775 3.566 1.00 0.00 C ATOM 0 HA PRO A 33 8.187 5.892 2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.917 6.281 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.877 7.124 1.333 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.045 8.146 3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.844 9.008 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.064 9.284 4.528 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.579 9.490 2.856 1.00 0.00 H new ATOM 491 N GLU A 34 8.950 5.602 5.446 1.00 0.00 N ATOM 492 CA GLU A 34 9.132 4.616 6.508 1.00 0.00 C ATOM 493 C GLU A 34 8.358 3.304 6.263 1.00 0.00 C ATOM 494 O GLU A 34 8.653 2.316 6.931 1.00 0.00 O ATOM 495 CB GLU A 34 8.763 5.239 7.868 1.00 0.00 C ATOM 496 CG GLU A 34 9.906 6.094 8.431 1.00 0.00 C ATOM 497 CD GLU A 34 9.717 6.432 9.915 1.00 0.00 C ATOM 498 OE1 GLU A 34 8.825 7.247 10.254 1.00 0.00 O ATOM 499 OE2 GLU A 34 10.456 5.877 10.759 1.00 0.00 O ATOM 0 H GLU A 34 8.600 6.499 5.782 1.00 0.00 H new ATOM 0 HA GLU A 34 10.186 4.337 6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.870 5.854 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.518 4.447 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.849 5.563 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.979 7.019 7.858 1.00 0.00 H new ATOM 506 N TYR A 35 7.422 3.251 5.304 1.00 0.00 N ATOM 507 CA TYR A 35 6.599 2.073 5.000 1.00 0.00 C ATOM 508 C TYR A 35 6.664 1.692 3.511 1.00 0.00 C ATOM 509 O TYR A 35 5.972 0.769 3.092 1.00 0.00 O ATOM 510 CB TYR A 35 5.151 2.330 5.466 1.00 0.00 C ATOM 511 CG TYR A 35 5.049 2.773 6.916 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.242 4.131 7.237 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.854 1.835 7.948 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.309 4.550 8.573 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.907 2.255 9.290 1.00 0.00 C ATOM 516 CZ TYR A 35 5.175 3.603 9.607 1.00 0.00 C ATOM 517 OH TYR A 35 5.350 3.961 10.908 1.00 0.00 O ATOM 0 H TYR A 35 7.212 4.048 4.703 1.00 0.00 H new ATOM 0 HA TYR A 35 6.998 1.217 5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.703 3.093 4.829 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.568 1.419 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.340 4.858 6.444 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.665 0.799 7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.462 5.593 8.808 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.741 1.540 10.083 1.00 0.00 H new ATOM 0 HH TYR A 35 5.218 3.179 11.483 1.00 0.00 H new ATOM 527 N ASN A 36 7.471 2.396 2.713 1.00 0.00 N ATOM 528 CA ASN A 36 7.566 2.358 1.250 1.00 0.00 C ATOM 529 C ASN A 36 8.016 0.978 0.754 1.00 0.00 C ATOM 530 O ASN A 36 9.163 0.599 1.011 1.00 0.00 O ATOM 531 CB ASN A 36 8.590 3.435 0.808 1.00 0.00 C ATOM 532 CG ASN A 36 8.164 4.359 -0.312 1.00 0.00 C ATOM 533 OD1 ASN A 36 8.279 5.574 -0.214 1.00 0.00 O ATOM 534 ND2 ASN A 36 7.786 3.838 -1.451 1.00 0.00 N ATOM 0 H ASN A 36 8.132 3.065 3.108 1.00 0.00 H new ATOM 0 HA ASN A 36 6.584 2.556 0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.838 4.045 1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.505 2.929 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.590 4.443 -2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.688 2.827 -1.542 1.00 0.00 H new ATOM 541 N ILE A 37 7.185 0.261 -0.012 1.00 0.00 N ATOM 542 CA ILE A 37 7.493 -1.032 -0.638 1.00 0.00 C ATOM 543 C ILE A 37 7.556 -0.816 -2.160 1.00 0.00 C ATOM 544 O ILE A 37 6.584 -0.337 -2.757 1.00 0.00 O ATOM 545 CB ILE A 37 6.449 -2.125 -0.267 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.104 -2.176 1.240 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.981 -3.505 -0.706 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.943 -3.107 1.590 1.00 0.00 C ATOM 0 H ILE A 37 6.239 0.579 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 37 8.451 -1.395 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 37 5.529 -1.864 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.988 -2.494 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.861 -1.169 1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.253 -4.274 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.144 -3.506 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.922 -3.711 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.768 -3.082 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.044 -2.779 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.188 -4.124 1.285 1.00 0.00 H new ATOM 560 N LYS A 38 8.691 -1.137 -2.801 1.00 0.00 N ATOM 561 CA LYS A 38 8.858 -1.103 -4.258 1.00 0.00 C ATOM 562 C LYS A 38 9.500 -2.356 -4.869 1.00 0.00 C ATOM 563 O LYS A 38 9.512 -2.466 -6.091 1.00 0.00 O ATOM 564 CB LYS A 38 9.610 0.165 -4.694 1.00 0.00 C ATOM 565 CG LYS A 38 8.955 1.454 -4.173 1.00 0.00 C ATOM 566 CD LYS A 38 9.259 2.691 -5.020 1.00 0.00 C ATOM 567 CE LYS A 38 10.603 3.397 -4.784 1.00 0.00 C ATOM 568 NZ LYS A 38 11.774 2.721 -5.382 1.00 0.00 N ATOM 0 H LYS A 38 9.534 -1.433 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 38 7.844 -1.084 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.638 0.114 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.654 0.200 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.875 1.310 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.291 1.634 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.211 2.401 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.463 3.417 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.541 4.408 -5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.765 3.490 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.634 3.267 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.864 1.765 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.648 2.655 -6.412 1.00 0.00 H new ATOM 582 N GLN A 39 9.964 -3.347 -4.101 1.00 0.00 N ATOM 583 CA GLN A 39 10.406 -4.656 -4.617 1.00 0.00 C ATOM 584 C GLN A 39 9.225 -5.526 -5.096 1.00 0.00 C ATOM 585 O GLN A 39 9.259 -6.751 -4.982 1.00 0.00 O ATOM 586 CB GLN A 39 11.268 -5.380 -3.557 1.00 0.00 C ATOM 587 CG GLN A 39 12.656 -4.748 -3.359 1.00 0.00 C ATOM 588 CD GLN A 39 13.619 -5.120 -4.488 1.00 0.00 C ATOM 589 OE1 GLN A 39 14.363 -6.092 -4.388 1.00 0.00 O ATOM 590 NE2 GLN A 39 13.625 -4.384 -5.592 1.00 0.00 N ATOM 0 H GLN A 39 10.046 -3.266 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 39 11.023 -4.480 -5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.737 -5.377 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.391 -6.423 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.557 -3.664 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.071 -5.075 -2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.005 -3.578 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.249 -4.625 -6.362 1.00 0.00 H new ATOM 599 N TRP A 40 8.177 -4.922 -5.662 1.00 0.00 N ATOM 600 CA TRP A 40 7.020 -5.646 -6.169 1.00 0.00 C ATOM 601 C TRP A 40 7.422 -6.594 -7.303 1.00 0.00 C ATOM 602 O TRP A 40 6.835 -7.658 -7.419 1.00 0.00 O ATOM 603 CB TRP A 40 5.935 -4.658 -6.604 1.00 0.00 C ATOM 604 CG TRP A 40 6.228 -3.842 -7.821 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.652 -2.558 -7.840 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.088 -4.239 -9.217 1.00 0.00 C ATOM 607 NE1 TRP A 40 6.769 -2.135 -9.146 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.437 -3.128 -10.036 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.685 -5.419 -9.875 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.378 -3.177 -11.435 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.647 -5.485 -11.277 1.00 0.00 C ATOM 612 CH2 TRP A 40 5.993 -4.371 -12.061 1.00 0.00 C ATOM 0 H TRP A 40 8.112 -3.911 -5.780 1.00 0.00 H new ATOM 0 HA TRP A 40 6.609 -6.264 -5.371 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.016 -5.216 -6.780 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.741 -3.977 -5.775 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.866 -1.958 -6.968 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.066 -1.198 -9.419 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.402 -6.284 -9.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.626 -2.306 -12.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.348 -6.404 -11.759 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.963 -4.434 -13.139 1.00 0.00 H new ATOM 623 N GLN A 41 8.473 -6.269 -8.069 1.00 0.00 N ATOM 624 CA GLN A 41 9.077 -7.131 -9.089 1.00 0.00 C ATOM 625 C GLN A 41 9.546 -8.490 -8.550 1.00 0.00 C ATOM 626 O GLN A 41 9.869 -9.378 -9.332 1.00 0.00 O ATOM 627 CB GLN A 41 10.281 -6.387 -9.696 1.00 0.00 C ATOM 628 CG GLN A 41 9.875 -5.411 -10.805 1.00 0.00 C ATOM 629 CD GLN A 41 9.640 -6.145 -12.125 1.00 0.00 C ATOM 630 OE1 GLN A 41 10.568 -6.692 -12.718 1.00 0.00 O ATOM 631 NE2 GLN A 41 8.416 -6.209 -12.614 1.00 0.00 N ATOM 0 H GLN A 41 8.941 -5.366 -7.991 1.00 0.00 H new ATOM 0 HA GLN A 41 8.308 -7.343 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.800 -5.840 -8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.987 -7.114 -10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.968 -4.881 -10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.654 -4.660 -10.936 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.646 -5.755 -12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.240 -6.712 -13.484 1.00 0.00 H new ATOM 640 N GLN A 42 9.621 -8.655 -7.231 1.00 0.00 N ATOM 641 CA GLN A 42 10.166 -9.818 -6.551 1.00 0.00 C ATOM 642 C GLN A 42 9.197 -10.446 -5.560 1.00 0.00 C ATOM 643 O GLN A 42 9.539 -11.418 -4.879 1.00 0.00 O ATOM 644 CB GLN A 42 11.437 -9.349 -5.850 1.00 0.00 C ATOM 645 CG GLN A 42 12.640 -9.758 -6.682 1.00 0.00 C ATOM 646 CD GLN A 42 13.211 -11.085 -6.187 1.00 0.00 C ATOM 647 OE1 GLN A 42 14.357 -11.178 -5.757 1.00 0.00 O ATOM 648 NE2 GLN A 42 12.420 -12.144 -6.171 1.00 0.00 N ATOM 0 H GLN A 42 9.286 -7.945 -6.580 1.00 0.00 H new ATOM 0 HA GLN A 42 10.368 -10.604 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.419 -8.267 -5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.501 -9.787 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.351 -9.849 -7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.406 -8.984 -6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.467 -12.074 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.763 -13.031 -5.803 1.00 0.00 H new ATOM 657 N ARG A 43 8.005 -9.879 -5.485 1.00 0.00 N ATOM 658 CA ARG A 43 6.882 -10.359 -4.696 1.00 0.00 C ATOM 659 C ARG A 43 5.726 -10.705 -5.618 1.00 0.00 C ATOM 660 O ARG A 43 5.663 -10.238 -6.753 1.00 0.00 O ATOM 661 CB ARG A 43 6.490 -9.294 -3.665 1.00 0.00 C ATOM 662 CG ARG A 43 7.377 -9.429 -2.426 1.00 0.00 C ATOM 663 CD ARG A 43 7.007 -8.379 -1.380 1.00 0.00 C ATOM 664 NE ARG A 43 7.320 -8.852 -0.029 1.00 0.00 N ATOM 665 CZ ARG A 43 6.935 -8.282 1.116 1.00 0.00 C ATOM 666 NH1 ARG A 43 6.365 -7.083 1.106 1.00 0.00 N ATOM 667 NH2 ARG A 43 7.106 -8.930 2.258 1.00 0.00 N ATOM 0 H ARG A 43 7.782 -9.027 -6.000 1.00 0.00 H new ATOM 0 HA ARG A 43 7.159 -11.263 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.599 -8.299 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.442 -9.409 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.268 -10.427 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.424 -9.316 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.548 -7.454 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.944 -8.148 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 43 7.886 -9.697 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.220 -6.595 0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.072 -6.650 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.529 -9.858 2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.815 -8.501 3.136 1.00 0.00 H new ATOM 681 N ASN A 44 4.787 -11.503 -5.119 1.00 0.00 N ATOM 682 CA ASN A 44 3.690 -12.014 -5.929 1.00 0.00 C ATOM 683 C ASN A 44 2.562 -10.986 -5.996 1.00 0.00 C ATOM 684 O ASN A 44 1.442 -11.250 -5.563 1.00 0.00 O ATOM 685 CB ASN A 44 3.245 -13.389 -5.409 1.00 0.00 C ATOM 686 CG ASN A 44 4.352 -14.424 -5.573 1.00 0.00 C ATOM 687 OD1 ASN A 44 5.202 -14.331 -6.455 1.00 0.00 O ATOM 688 ND2 ASN A 44 4.413 -15.414 -4.707 1.00 0.00 N ATOM 0 H ASN A 44 4.766 -11.811 -4.147 1.00 0.00 H new ATOM 0 HA ASN A 44 4.022 -12.169 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.969 -13.311 -4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.356 -13.715 -5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.164 -16.101 -4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.709 -15.494 -3.973 1.00 0.00 H new ATOM 695 N LEU A 45 2.855 -9.782 -6.493 1.00 0.00 N ATOM 696 CA LEU A 45 1.943 -8.640 -6.517 1.00 0.00 C ATOM 697 C LEU A 45 2.067 -7.913 -7.867 1.00 0.00 C ATOM 698 O LEU A 45 3.117 -7.999 -8.509 1.00 0.00 O ATOM 699 CB LEU A 45 2.290 -7.701 -5.341 1.00 0.00 C ATOM 700 CG LEU A 45 1.593 -8.082 -4.013 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.477 -7.786 -2.793 1.00 0.00 C ATOM 702 CD2 LEU A 45 0.256 -7.339 -3.880 1.00 0.00 C ATOM 0 H LEU A 45 3.765 -9.570 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 45 0.911 -8.972 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.369 -7.707 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.012 -6.681 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 45 1.412 -9.157 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.948 -8.069 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.402 -8.357 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.709 -6.721 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.223 -7.617 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.435 -6.264 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.394 -7.608 -4.712 1.00 0.00 H new ATOM 714 N PRO A 46 1.025 -7.183 -8.307 1.00 0.00 N ATOM 715 CA PRO A 46 1.025 -6.465 -9.580 1.00 0.00 C ATOM 716 C PRO A 46 1.911 -5.215 -9.565 1.00 0.00 C ATOM 717 O PRO A 46 2.225 -4.654 -8.505 1.00 0.00 O ATOM 718 CB PRO A 46 -0.432 -6.054 -9.833 1.00 0.00 C ATOM 719 CG PRO A 46 -1.067 -6.070 -8.461 1.00 0.00 C ATOM 720 CD PRO A 46 -0.286 -7.119 -7.685 1.00 0.00 C ATOM 0 HA PRO A 46 1.429 -7.110 -10.360 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.493 -5.066 -10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.930 -6.748 -10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.000 -5.093 -7.983 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.125 -6.326 -8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.206 -6.846 -6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.785 -8.087 -7.726 1.00 0.00 H new ATOM 728 N ALA A 47 2.195 -4.715 -10.775 1.00 0.00 N ATOM 729 CA ALA A 47 2.755 -3.384 -10.975 1.00 0.00 C ATOM 730 C ALA A 47 1.789 -2.340 -10.390 1.00 0.00 C ATOM 731 O ALA A 47 0.571 -2.534 -10.494 1.00 0.00 O ATOM 732 CB ALA A 47 2.954 -3.123 -12.472 1.00 0.00 C ATOM 0 H ALA A 47 2.040 -5.229 -11.642 1.00 0.00 H new ATOM 0 HA ALA A 47 3.720 -3.314 -10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.373 -2.127 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.637 -3.866 -12.883 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.994 -3.190 -12.984 1.00 0.00 H new ATOM 738 N PRO A 48 2.282 -1.237 -9.797 1.00 0.00 N ATOM 739 CA PRO A 48 1.411 -0.386 -8.993 1.00 0.00 C ATOM 740 C PRO A 48 0.571 0.593 -9.835 1.00 0.00 C ATOM 741 O PRO A 48 -0.645 0.443 -9.936 1.00 0.00 O ATOM 742 CB PRO A 48 2.425 0.381 -8.119 1.00 0.00 C ATOM 743 CG PRO A 48 3.753 0.360 -8.864 1.00 0.00 C ATOM 744 CD PRO A 48 3.689 -0.987 -9.555 1.00 0.00 C ATOM 0 HA PRO A 48 0.670 -0.961 -8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.093 1.405 -7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.524 -0.088 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.838 1.182 -9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.604 0.434 -8.187 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.251 -0.975 -10.489 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.124 -1.768 -8.931 1.00 0.00 H new ATOM 752 N ASP A 49 1.231 1.454 -10.593 1.00 0.00 N ATOM 753 CA ASP A 49 0.766 2.464 -11.545 1.00 0.00 C ATOM 754 C ASP A 49 2.022 3.186 -12.027 1.00 0.00 C ATOM 755 O ASP A 49 3.119 2.628 -11.973 1.00 0.00 O ATOM 756 CB ASP A 49 -0.304 3.441 -11.018 1.00 0.00 C ATOM 757 CG ASP A 49 -1.182 3.955 -12.161 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.138 3.262 -12.572 1.00 0.00 O ATOM 759 OD2 ASP A 49 -0.887 5.038 -12.713 1.00 0.00 O ATOM 0 H ASP A 49 2.250 1.465 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 49 0.232 1.966 -12.354 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.924 2.941 -10.274 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.179 4.281 -10.518 1.00 0.00 H new ATOM 764 N ALA A 50 1.855 4.363 -12.609 1.00 0.00 N ATOM 765 CA ALA A 50 2.884 5.225 -13.150 1.00 0.00 C ATOM 766 C ALA A 50 3.151 6.444 -12.261 1.00 0.00 C ATOM 767 O ALA A 50 3.414 7.547 -12.748 1.00 0.00 O ATOM 768 CB ALA A 50 2.372 5.604 -14.535 1.00 0.00 C ATOM 0 H ALA A 50 0.925 4.767 -12.722 1.00 0.00 H new ATOM 0 HA ALA A 50 3.852 4.727 -13.201 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.093 6.261 -15.022 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.240 4.703 -15.133 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.417 6.120 -14.441 1.00 0.00 H new ATOM 774 N GLY A 51 3.092 6.247 -10.950 1.00 0.00 N ATOM 775 CA GLY A 51 3.225 7.293 -9.951 1.00 0.00 C ATOM 776 C GLY A 51 2.486 6.890 -8.683 1.00 0.00 C ATOM 777 O GLY A 51 1.698 7.667 -8.141 1.00 0.00 O ATOM 0 H GLY A 51 2.945 5.324 -10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.278 7.466 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.822 8.230 -10.336 1.00 0.00 H new ATOM 781 N SER A 52 2.698 5.658 -8.224 1.00 0.00 N ATOM 782 CA SER A 52 2.280 5.192 -6.908 1.00 0.00 C ATOM 783 C SER A 52 3.331 4.260 -6.300 1.00 0.00 C ATOM 784 O SER A 52 4.205 3.746 -7.007 1.00 0.00 O ATOM 785 CB SER A 52 0.909 4.515 -7.025 1.00 0.00 C ATOM 786 OG SER A 52 0.867 3.577 -8.078 1.00 0.00 O ATOM 0 H SER A 52 3.176 4.942 -8.771 1.00 0.00 H new ATOM 0 HA SER A 52 2.188 6.041 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.671 4.016 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.143 5.274 -7.186 1.00 0.00 H new ATOM 0 HG SER A 52 0.157 2.924 -7.906 1.00 0.00 H new ATOM 792 N HIS A 53 3.226 3.993 -4.999 1.00 0.00 N ATOM 793 CA HIS A 53 3.970 2.928 -4.350 1.00 0.00 C ATOM 794 C HIS A 53 3.071 2.175 -3.379 1.00 0.00 C ATOM 795 O HIS A 53 2.031 2.685 -2.955 1.00 0.00 O ATOM 796 CB HIS A 53 5.240 3.452 -3.672 1.00 0.00 C ATOM 797 CG HIS A 53 5.085 4.668 -2.780 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.359 5.968 -3.146 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.875 4.673 -1.423 1.00 0.00 C ATOM 800 CE1 HIS A 53 5.308 6.733 -2.050 1.00 0.00 C ATOM 801 NE2 HIS A 53 5.004 5.994 -0.969 1.00 0.00 N ATOM 0 H HIS A 53 2.618 4.515 -4.368 1.00 0.00 H new ATOM 0 HA HIS A 53 4.301 2.226 -5.115 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.665 2.645 -3.075 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.966 3.691 -4.449 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.565 6.292 -4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.650 3.811 -0.812 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.487 7.798 -2.036 1.00 0.00 H new ATOM 809 N TRP A 54 3.452 0.932 -3.075 1.00 0.00 N ATOM 810 CA TRP A 54 2.769 0.125 -2.085 1.00 0.00 C ATOM 811 C TRP A 54 3.351 0.504 -0.719 1.00 0.00 C ATOM 812 O TRP A 54 4.516 0.908 -0.635 1.00 0.00 O ATOM 813 CB TRP A 54 2.924 -1.375 -2.407 1.00 0.00 C ATOM 814 CG TRP A 54 2.206 -1.893 -3.632 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.758 -2.107 -4.850 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.821 -2.351 -3.761 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.824 -2.636 -5.720 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.598 -2.772 -5.107 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.249 -2.526 -2.856 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.648 -3.230 -5.554 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.518 -2.969 -3.287 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.718 -3.291 -4.642 1.00 0.00 C ATOM 0 H TRP A 54 4.245 0.464 -3.514 1.00 0.00 H new ATOM 0 HA TRP A 54 1.696 0.315 -2.084 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.987 -1.588 -2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.576 -1.944 -1.545 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.785 -1.894 -5.106 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.017 -2.892 -6.688 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.092 -2.316 -1.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.785 -3.531 -6.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.330 -3.060 -2.581 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.699 -3.587 -4.984 1.00 0.00 H new ATOM 833 N THR A 55 2.565 0.371 0.342 1.00 0.00 N ATOM 834 CA THR A 55 2.948 0.637 1.722 1.00 0.00 C ATOM 835 C THR A 55 2.367 -0.450 2.620 1.00 0.00 C ATOM 836 O THR A 55 1.650 -1.328 2.130 1.00 0.00 O ATOM 837 CB THR A 55 2.491 2.042 2.158 1.00 0.00 C ATOM 838 OG1 THR A 55 1.094 2.205 2.049 1.00 0.00 O ATOM 839 CG2 THR A 55 3.126 3.106 1.285 1.00 0.00 C ATOM 0 H THR A 55 1.597 0.060 0.259 1.00 0.00 H new ATOM 0 HA THR A 55 4.034 0.618 1.809 1.00 0.00 H new ATOM 0 HB THR A 55 2.796 2.147 3.199 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.847 3.109 2.337 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.790 4.091 1.609 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.211 3.046 1.370 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.834 2.947 0.247 1.00 0.00 H new ATOM 847 N TYR A 56 2.675 -0.397 3.917 1.00 0.00 N ATOM 848 CA TYR A 56 2.204 -1.340 4.916 1.00 0.00 C ATOM 849 C TYR A 56 1.342 -0.589 5.929 1.00 0.00 C ATOM 850 O TYR A 56 1.868 0.168 6.749 1.00 0.00 O ATOM 851 CB TYR A 56 3.419 -2.031 5.547 1.00 0.00 C ATOM 852 CG TYR A 56 3.137 -3.393 6.144 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.709 -4.434 5.305 1.00 0.00 C ATOM 854 CD2 TYR A 56 3.362 -3.647 7.506 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.509 -5.731 5.815 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.186 -4.943 8.022 1.00 0.00 C ATOM 857 CZ TYR A 56 2.779 -5.999 7.176 1.00 0.00 C ATOM 858 OH TYR A 56 2.599 -7.243 7.705 1.00 0.00 O ATOM 0 H TYR A 56 3.278 0.328 4.306 1.00 0.00 H new ATOM 0 HA TYR A 56 1.580 -2.120 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.194 -2.136 4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.822 -1.385 6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.531 -4.238 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.671 -2.845 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.151 -6.518 5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.363 -5.132 9.070 1.00 0.00 H new ATOM 0 HH TYR A 56 2.838 -7.232 8.655 1.00 0.00 H new ATOM 868 N MET A 57 0.022 -0.750 5.844 1.00 0.00 N ATOM 869 CA MET A 57 -0.981 -0.049 6.619 1.00 0.00 C ATOM 870 C MET A 57 -1.661 -1.057 7.540 1.00 0.00 C ATOM 871 O MET A 57 -2.497 -1.823 7.076 1.00 0.00 O ATOM 872 CB MET A 57 -1.976 0.587 5.629 1.00 0.00 C ATOM 873 CG MET A 57 -2.774 1.683 6.310 1.00 0.00 C ATOM 874 SD MET A 57 -3.880 2.634 5.240 1.00 0.00 S ATOM 875 CE MET A 57 -2.711 3.639 4.297 1.00 0.00 C ATOM 0 H MET A 57 -0.392 -1.415 5.191 1.00 0.00 H new ATOM 0 HA MET A 57 -0.551 0.739 7.237 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.437 0.998 4.776 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.651 -0.176 5.242 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.368 1.233 7.106 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.076 2.373 6.784 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.809 4.684 4.592 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.695 3.299 4.497 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.923 3.541 3.232 1.00 0.00 H new ATOM 885 N GLY A 58 -1.275 -1.146 8.813 1.00 0.00 N ATOM 886 CA GLY A 58 -1.936 -2.060 9.746 1.00 0.00 C ATOM 887 C GLY A 58 -1.670 -3.546 9.456 1.00 0.00 C ATOM 888 O GLY A 58 -2.343 -4.406 10.020 1.00 0.00 O ATOM 0 H GLY A 58 -0.514 -0.601 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.604 -1.832 10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.011 -1.881 9.715 1.00 0.00 H new ATOM 892 N GLY A 59 -0.720 -3.874 8.573 1.00 0.00 N ATOM 893 CA GLY A 59 -0.473 -5.231 8.088 1.00 0.00 C ATOM 894 C GLY A 59 -0.872 -5.433 6.625 1.00 0.00 C ATOM 895 O GLY A 59 -0.525 -6.442 6.008 1.00 0.00 O ATOM 0 H GLY A 59 -0.088 -3.184 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.586 -5.464 8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.025 -5.937 8.709 1.00 0.00 H new ATOM 899 N ASN A 60 -1.604 -4.473 6.077 1.00 0.00 N ATOM 900 CA ASN A 60 -2.250 -4.490 4.788 1.00 0.00 C ATOM 901 C ASN A 60 -1.297 -3.824 3.796 1.00 0.00 C ATOM 902 O ASN A 60 -0.947 -2.656 3.969 1.00 0.00 O ATOM 903 CB ASN A 60 -3.589 -3.719 4.884 1.00 0.00 C ATOM 904 CG ASN A 60 -4.475 -4.169 6.048 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.532 -5.352 6.386 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.143 -3.239 6.706 1.00 0.00 N ATOM 0 H ASN A 60 -1.770 -3.595 6.569 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.472 -5.505 4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.379 -2.655 4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.138 -3.845 3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.718 -3.496 7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.084 -2.264 6.412 1.00 0.00 H new ATOM 913 N TYR A 61 -0.866 -4.531 2.748 1.00 0.00 N ATOM 914 CA TYR A 61 -0.280 -3.897 1.581 1.00 0.00 C ATOM 915 C TYR A 61 -1.343 -3.035 0.900 1.00 0.00 C ATOM 916 O TYR A 61 -2.321 -3.583 0.378 1.00 0.00 O ATOM 917 CB TYR A 61 0.272 -4.941 0.602 1.00 0.00 C ATOM 918 CG TYR A 61 1.273 -5.908 1.186 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.412 -5.401 1.833 1.00 0.00 C ATOM 920 CD2 TYR A 61 1.079 -7.299 1.085 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.353 -6.277 2.392 1.00 0.00 C ATOM 922 CE2 TYR A 61 2.035 -8.179 1.626 1.00 0.00 C ATOM 923 CZ TYR A 61 3.167 -7.676 2.308 1.00 0.00 C ATOM 924 OH TYR A 61 4.069 -8.510 2.896 1.00 0.00 O ATOM 0 H TYR A 61 -0.916 -5.548 2.691 1.00 0.00 H new ATOM 0 HA TYR A 61 0.555 -3.272 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.563 -5.510 0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.740 -4.420 -0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.563 -4.334 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.200 -7.689 0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.226 -5.881 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.903 -9.246 1.520 1.00 0.00 H new ATOM 0 HH TYR A 61 3.688 -9.410 2.961 1.00 0.00 H new ATOM 934 N VAL A 62 -1.181 -1.714 0.871 1.00 0.00 N ATOM 935 CA VAL A 62 -2.081 -0.828 0.133 1.00 0.00 C ATOM 936 C VAL A 62 -1.244 -0.015 -0.834 1.00 0.00 C ATOM 937 O VAL A 62 -0.042 0.139 -0.640 1.00 0.00 O ATOM 938 CB VAL A 62 -2.934 0.057 1.063 1.00 0.00 C ATOM 939 CG1 VAL A 62 -4.084 -0.721 1.717 1.00 0.00 C ATOM 940 CG2 VAL A 62 -2.076 0.763 2.110 1.00 0.00 C ATOM 0 H VAL A 62 -0.426 -1.229 1.356 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.806 -1.424 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.387 0.823 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.655 -0.053 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.737 -1.124 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.678 -1.540 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.712 1.378 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.561 0.020 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.342 1.396 1.612 1.00 0.00 H new ATOM 950 N LEU A 63 -1.869 0.442 -1.909 1.00 0.00 N ATOM 951 CA LEU A 63 -1.235 1.232 -2.962 1.00 0.00 C ATOM 952 C LEU A 63 -1.734 2.666 -2.903 1.00 0.00 C ATOM 953 O LEU A 63 -2.946 2.879 -2.863 1.00 0.00 O ATOM 954 CB LEU A 63 -1.524 0.596 -4.329 1.00 0.00 C ATOM 955 CG LEU A 63 -0.726 1.195 -5.503 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.759 0.864 -5.385 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.276 0.628 -6.808 1.00 0.00 C ATOM 0 H LEU A 63 -2.860 0.270 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.155 1.245 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.310 -0.471 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.588 0.696 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.831 2.280 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.297 1.300 -6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.150 1.273 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.892 -0.218 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.720 1.044 -7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.172 -0.457 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.329 0.892 -6.904 1.00 0.00 H new ATOM 969 N ILE A 64 -0.811 3.630 -2.917 1.00 0.00 N ATOM 970 CA ILE A 64 -1.087 5.051 -2.725 1.00 0.00 C ATOM 971 C ILE A 64 -0.396 5.873 -3.818 1.00 0.00 C ATOM 972 O ILE A 64 0.719 5.531 -4.219 1.00 0.00 O ATOM 973 CB ILE A 64 -0.649 5.481 -1.308 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.812 5.109 -0.963 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.600 4.898 -0.250 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.426 6.095 0.031 1.00 0.00 C ATOM 0 H ILE A 64 0.179 3.435 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.158 5.234 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.700 6.570 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.842 4.103 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.409 5.092 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.276 5.211 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.612 5.259 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.587 3.810 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.453 5.800 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.419 7.097 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.844 6.092 0.953 1.00 0.00 H new ATOM 988 N THR A 65 -1.027 6.943 -4.320 1.00 0.00 N ATOM 989 CA THR A 65 -0.410 7.797 -5.333 1.00 0.00 C ATOM 990 C THR A 65 0.742 8.580 -4.715 1.00 0.00 C ATOM 991 O THR A 65 0.609 9.145 -3.633 1.00 0.00 O ATOM 992 CB THR A 65 -1.428 8.757 -5.986 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.668 8.782 -5.317 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.706 8.334 -7.419 1.00 0.00 C ATOM 0 H THR A 65 -1.963 7.234 -4.039 1.00 0.00 H new ATOM 0 HA THR A 65 -0.029 7.151 -6.124 1.00 0.00 H new ATOM 0 HB THR A 65 -0.975 9.747 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.320 9.277 -5.855 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.425 9.019 -7.868 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.779 8.356 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.114 7.323 -7.427 1.00 0.00 H new ATOM 1002 N ASP A 66 1.845 8.701 -5.445 1.00 0.00 N ATOM 1003 CA ASP A 66 3.051 9.391 -4.991 1.00 0.00 C ATOM 1004 C ASP A 66 2.823 10.897 -4.816 1.00 0.00 C ATOM 1005 O ASP A 66 3.601 11.574 -4.146 1.00 0.00 O ATOM 1006 CB ASP A 66 4.182 9.127 -5.996 1.00 0.00 C ATOM 1007 CG ASP A 66 5.542 9.121 -5.304 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.927 8.033 -4.821 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.207 10.176 -5.237 1.00 0.00 O ATOM 0 H ASP A 66 1.930 8.316 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 66 3.325 9.001 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.018 8.169 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.169 9.892 -6.772 1.00 0.00 H new ATOM 1014 N THR A 67 1.725 11.431 -5.364 1.00 0.00 N ATOM 1015 CA THR A 67 1.450 12.855 -5.526 1.00 0.00 C ATOM 1016 C THR A 67 0.059 13.205 -4.955 1.00 0.00 C ATOM 1017 O THR A 67 -0.380 14.354 -5.025 1.00 0.00 O ATOM 1018 CB THR A 67 1.668 13.168 -7.027 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.813 14.549 -7.314 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.611 12.525 -7.941 1.00 0.00 C ATOM 0 H THR A 67 0.969 10.848 -5.723 1.00 0.00 H new ATOM 0 HA THR A 67 2.120 13.496 -4.954 1.00 0.00 H new ATOM 0 HB THR A 67 2.626 12.701 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.948 14.671 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.822 12.783 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.639 11.442 -7.824 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.378 12.894 -7.669 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.661 12.224 -4.392 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.988 12.427 -3.815 1.00 0.00 C ATOM 1030 C GLU A 68 -2.237 11.507 -2.619 1.00 0.00 C ATOM 1031 O GLU A 68 -2.888 11.924 -1.660 1.00 0.00 O ATOM 1032 CB GLU A 68 -3.076 12.291 -4.904 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.484 12.320 -4.300 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.612 12.448 -5.328 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.803 11.545 -6.169 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -6.393 13.427 -5.242 1.00 0.00 O ATOM 0 H GLU A 68 -0.331 11.261 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.039 13.444 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.972 13.101 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.932 11.358 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.637 11.408 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.549 13.154 -3.602 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.723 10.279 -2.641 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.990 9.274 -1.627 1.00 0.00 C ATOM 1045 C GLY A 69 -3.400 8.704 -1.703 1.00 0.00 C ATOM 1046 O GLY A 69 -3.904 8.160 -0.723 1.00 0.00 O ATOM 0 H GLY A 69 -1.099 9.954 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.271 8.462 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.835 9.712 -0.641 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.061 8.832 -2.853 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.336 8.181 -3.088 1.00 0.00 C ATOM 1052 C LYS A 70 -5.107 6.685 -2.981 1.00 0.00 C ATOM 1053 O LYS A 70 -4.145 6.167 -3.548 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.925 8.563 -4.456 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.394 9.005 -4.334 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.279 8.381 -5.411 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.921 8.798 -6.832 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.093 10.250 -7.026 1.00 0.00 N ATOM 0 H LYS A 70 -3.725 9.388 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.066 8.507 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.337 9.369 -4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.855 7.712 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.774 8.729 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.451 10.091 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.214 7.296 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.316 8.652 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.889 8.521 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.549 8.258 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.228 10.452 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.926 10.575 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.247 10.749 -6.683 1.00 0.00 H new ATOM 1072 N ILE A 71 -5.982 6.023 -2.243 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.025 4.600 -1.991 1.00 0.00 C ATOM 1074 C ILE A 71 -6.414 3.958 -3.312 1.00 0.00 C ATOM 1075 O ILE A 71 -7.595 3.861 -3.659 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.004 4.304 -0.832 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.537 5.099 0.413 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.058 2.791 -0.535 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.416 4.935 1.641 1.00 0.00 C ATOM 0 H ILE A 71 -6.741 6.511 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.070 4.189 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.012 4.613 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.523 4.789 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.492 6.157 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.753 2.606 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.394 2.257 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.065 2.440 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.010 5.528 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.426 5.274 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.443 3.885 1.932 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.402 3.587 -4.087 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.573 2.927 -5.363 1.00 0.00 C ATOM 1093 C LEU A 72 -6.103 1.525 -5.099 1.00 0.00 C ATOM 1094 O LEU A 72 -7.107 1.124 -5.682 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.261 2.913 -6.168 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.588 4.276 -6.442 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.565 4.117 -7.574 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -4.551 5.398 -6.845 1.00 0.00 C ATOM 0 H LEU A 72 -4.425 3.742 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.290 3.473 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.546 2.283 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.458 2.434 -7.127 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.132 4.568 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.088 5.077 -7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.809 3.389 -7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.071 3.772 -8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.989 6.316 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.075 5.117 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.275 5.560 -6.047 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.406 0.753 -4.255 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.662 -0.671 -4.059 1.00 0.00 C ATOM 1112 C LYS A 73 -5.265 -1.074 -2.643 1.00 0.00 C ATOM 1113 O LYS A 73 -4.577 -0.344 -1.936 1.00 0.00 O ATOM 1114 CB LYS A 73 -4.864 -1.510 -5.084 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.231 -1.229 -6.551 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.276 -1.907 -7.540 1.00 0.00 C ATOM 1117 CE LYS A 73 -4.549 -3.398 -7.753 1.00 0.00 C ATOM 1118 NZ LYS A 73 -5.838 -3.636 -8.433 1.00 0.00 N ATOM 0 H LYS A 73 -4.640 1.109 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.726 -0.859 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.800 -1.318 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.027 -2.568 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.248 -1.574 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.222 -0.153 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.342 -1.396 -8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.253 -1.784 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.743 -3.833 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.549 -3.907 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.982 -4.659 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.611 -3.245 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.830 -3.173 -9.364 1.00 0.00 H new ATOM 1132 N VAL A 74 -5.632 -2.295 -2.293 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.324 -3.107 -1.131 1.00 0.00 C ATOM 1134 C VAL A 74 -5.205 -4.524 -1.659 1.00 0.00 C ATOM 1135 O VAL A 74 -5.963 -4.882 -2.557 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.383 -2.903 -0.018 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -7.773 -2.819 -0.538 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.283 -3.863 1.165 1.00 0.00 C ATOM 0 H VAL A 74 -6.248 -2.816 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.392 -2.830 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.124 -1.926 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.464 -2.676 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.854 -1.978 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.022 -3.742 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.068 -3.635 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.400 -4.888 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.309 -3.752 1.642 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.241 -5.280 -1.138 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.223 -6.746 -1.194 1.00 0.00 C ATOM 1150 C TYR A 75 -3.657 -7.265 0.115 1.00 0.00 C ATOM 1151 O TYR A 75 -2.504 -6.935 0.406 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.347 -7.271 -2.335 1.00 0.00 C ATOM 1153 CG TYR A 75 -3.858 -6.986 -3.728 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.135 -7.423 -4.115 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.046 -6.295 -4.640 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.591 -7.198 -5.421 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -3.489 -6.077 -5.954 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.757 -6.557 -6.357 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.186 -6.405 -7.639 1.00 0.00 O ATOM 0 H TYR A 75 -3.433 -4.886 -0.655 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.243 -7.090 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.352 -6.837 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.238 -8.349 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.768 -7.934 -3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.078 -5.930 -4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.582 -7.516 -5.709 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.864 -5.544 -6.655 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.151 -6.569 -7.683 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.443 -7.934 0.961 1.00 0.00 N ATOM 1170 CA ASP A 76 -3.995 -8.381 2.290 1.00 0.00 C ATOM 1171 C ASP A 76 -2.657 -9.114 2.256 1.00 0.00 C ATOM 1172 O ASP A 76 -2.347 -9.796 1.281 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.050 -9.217 3.018 1.00 0.00 C ATOM 1174 CG ASP A 76 -4.522 -9.483 4.432 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.528 -8.528 5.250 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -3.923 -10.549 4.670 1.00 0.00 O ATOM 0 H ASP A 76 -5.409 -8.183 0.748 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.847 -7.464 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.002 -8.687 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.228 -10.155 2.491 1.00 0.00 H new ATOM 1181 N GLY A 77 -1.866 -8.950 3.328 1.00 0.00 N ATOM 1182 CA GLY A 77 -0.571 -9.582 3.506 1.00 0.00 C ATOM 1183 C GLY A 77 -0.490 -11.071 3.148 1.00 0.00 C ATOM 1184 O GLY A 77 0.592 -11.507 2.748 1.00 0.00 O ATOM 0 H GLY A 77 -2.128 -8.353 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.159 -9.044 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.272 -9.463 4.547 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.588 -11.832 3.211 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.683 -13.233 2.781 1.00 0.00 C ATOM 1190 C GLU A 78 -1.117 -13.460 1.366 1.00 0.00 C ATOM 1191 O GLU A 78 -0.582 -14.533 1.071 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.158 -13.665 2.798 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.770 -13.754 4.201 1.00 0.00 C ATOM 1194 CD GLU A 78 -3.635 -15.130 4.836 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -2.520 -15.477 5.282 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -4.669 -15.829 4.965 1.00 0.00 O ATOM 0 H GLU A 78 -2.471 -11.475 3.577 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.087 -13.826 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.739 -12.959 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.246 -14.637 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.291 -13.017 4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.826 -13.490 4.145 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.205 -12.457 0.486 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.731 -12.538 -0.893 1.00 0.00 C ATOM 1205 C ILE A 79 0.792 -12.756 -0.978 1.00 0.00 C ATOM 1206 O ILE A 79 1.291 -13.264 -1.983 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.196 -11.269 -1.645 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.053 -11.479 -3.163 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.433 -10.008 -1.186 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.752 -10.418 -4.017 1.00 0.00 C ATOM 0 H ILE A 79 -1.615 -11.553 0.719 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.165 -13.415 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.246 -11.103 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.007 -11.492 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.455 -12.459 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.793 -9.142 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.599 -9.850 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.633 -10.140 -1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.600 -10.643 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.819 -10.418 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.335 -9.437 -3.792 1.00 0.00 H new ATOM 1222 N PHE A 80 1.548 -12.398 0.066 1.00 0.00 N ATOM 1223 CA PHE A 80 2.998 -12.559 0.095 1.00 0.00 C ATOM 1224 C PHE A 80 3.396 -14.037 0.013 1.00 0.00 C ATOM 1225 O PHE A 80 4.442 -14.355 -0.559 1.00 0.00 O ATOM 1226 CB PHE A 80 3.522 -11.907 1.381 1.00 0.00 C ATOM 1227 CG PHE A 80 5.009 -11.982 1.669 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.980 -11.884 0.651 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.421 -12.121 3.006 1.00 0.00 C ATOM 1230 CE1 PHE A 80 7.349 -11.967 0.968 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.783 -12.183 3.325 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.748 -12.107 2.309 1.00 0.00 C ATOM 0 H PHE A 80 1.165 -11.987 0.917 1.00 0.00 H new ATOM 0 HA PHE A 80 3.443 -12.072 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.240 -10.854 1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.997 -12.360 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.672 -11.745 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.682 -12.180 3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.090 -11.923 0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.091 -12.289 4.355 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.798 -12.156 2.557 1.00 0.00 H new ATOM 1242 N TYR A 81 2.555 -14.928 0.539 1.00 0.00 N ATOM 1243 CA TYR A 81 2.798 -16.362 0.638 1.00 0.00 C ATOM 1244 C TYR A 81 2.226 -17.123 -0.562 1.00 0.00 C ATOM 1245 O TYR A 81 2.152 -18.354 -0.526 1.00 0.00 O ATOM 1246 CB TYR A 81 2.184 -16.871 1.953 1.00 0.00 C ATOM 1247 CG TYR A 81 2.483 -15.969 3.134 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.812 -15.805 3.566 1.00 0.00 C ATOM 1249 CD2 TYR A 81 1.451 -15.225 3.738 1.00 0.00 C ATOM 1250 CE1 TYR A 81 4.109 -14.895 4.593 1.00 0.00 C ATOM 1251 CE2 TYR A 81 1.747 -14.309 4.761 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.076 -14.154 5.206 1.00 0.00 C ATOM 1253 OH TYR A 81 3.366 -13.281 6.210 1.00 0.00 O ATOM 0 H TYR A 81 1.650 -14.656 0.923 1.00 0.00 H new ATOM 0 HA TYR A 81 3.873 -16.540 0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.104 -16.958 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.563 -17.871 2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.604 -16.379 3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.430 -15.359 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.131 -14.762 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.957 -13.723 5.207 1.00 0.00 H new ATOM 0 HH TYR A 81 2.541 -12.853 6.520 1.00 0.00 H new ATOM 1263 N HIS A 82 1.756 -16.414 -1.593 1.00 0.00 N ATOM 1264 CA HIS A 82 1.096 -17.029 -2.732 1.00 0.00 C ATOM 1265 C HIS A 82 2.114 -17.758 -3.616 1.00 0.00 C ATOM 1266 O HIS A 82 3.329 -17.667 -3.404 1.00 0.00 O ATOM 1267 CB HIS A 82 0.298 -15.962 -3.497 1.00 0.00 C ATOM 1268 CG HIS A 82 -0.931 -16.517 -4.163 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -1.882 -17.303 -3.547 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.319 -16.317 -5.460 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.811 -17.599 -4.470 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.514 -17.017 -5.642 1.00 0.00 N ATOM 0 H HIS A 82 1.826 -15.398 -1.655 1.00 0.00 H new ATOM 0 HA HIS A 82 0.390 -17.786 -2.389 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.005 -15.170 -2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.940 -15.507 -4.251 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.800 -15.729 -6.202 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.677 -18.219 -4.294 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.058 -17.075 -6.503 1.00 0.00 H new ATOM 1280 N ARG A 83 1.628 -18.497 -4.609 1.00 0.00 N ATOM 1281 CA ARG A 83 2.468 -19.243 -5.537 1.00 0.00 C ATOM 1282 C ARG A 83 2.812 -18.388 -6.746 1.00 0.00 C ATOM 1283 O ARG A 83 2.091 -17.400 -7.018 1.00 0.00 O ATOM 1284 CB ARG A 83 1.754 -20.551 -5.921 1.00 0.00 C ATOM 1285 CG ARG A 83 1.968 -21.674 -4.896 1.00 0.00 C ATOM 1286 CD ARG A 83 3.343 -22.336 -5.008 1.00 0.00 C ATOM 1287 NE ARG A 83 3.471 -23.110 -6.253 1.00 0.00 N ATOM 1288 CZ ARG A 83 3.337 -24.432 -6.408 1.00 0.00 C ATOM 1289 NH1 ARG A 83 3.125 -25.240 -5.369 1.00 0.00 N ATOM 1290 NH2 ARG A 83 3.429 -24.972 -7.617 1.00 0.00 N ATOM 0 H ARG A 83 0.629 -18.595 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 83 3.414 -19.504 -5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.686 -20.359 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.113 -20.882 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.848 -21.268 -3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.195 -22.431 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.119 -21.572 -4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.502 -22.992 -4.153 1.00 0.00 H new ATOM 0 HE ARG A 83 3.687 -22.577 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.061 -24.854 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.026 -26.245 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.602 -24.379 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.327 -25.980 -7.734 1.00 0.00 H new