USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 379 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 46 TYR OH : rot -90:sc= 0.375 USER MOD Set 1.2: A 50 MET CE :methyl -149:sc= -0.0413 (180deg=-0.57) USER MOD Set 2.1: A 15 THR OG1 : rot -75:sc= 0.873 USER MOD Set 2.2: A 42 GLN : amide:sc= -0.376 K(o=0.5,f=-0.32) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00704 X(o=-0.007,f=0) USER MOD Single : A 6 GLN : amide:sc=-0.00334 X(o=-0.0033,f=-0.0085) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.042) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 21 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.055) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 26 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.041) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.23) USER MOD Single : A 34 GLN : amide:sc= 0.891 K(o=0.89,f=-0.49) USER MOD Single : A 35 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.014) USER MOD Single : A 40 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.082) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 6.566 -0.894 -6.380 1.00 25.00 N ATOM 54 CA LYS A 4 6.316 0.386 -7.068 1.00 25.00 C ATOM 55 C LYS A 4 5.772 0.274 -8.468 1.00 25.00 C ATOM 56 O LYS A 4 5.010 1.132 -8.897 1.00 25.00 O ATOM 57 CB LYS A 4 7.570 1.264 -7.090 1.00 25.00 C ATOM 58 CG LYS A 4 8.758 0.726 -7.931 1.00 25.00 C ATOM 59 CD LYS A 4 10.018 1.613 -7.786 1.00 25.00 C ATOM 60 CE LYS A 4 9.833 2.985 -8.393 1.00 25.00 C ATOM 61 NZ LYS A 4 11.085 3.816 -8.382 1.00 25.00 N ATOM 0 HA LYS A 4 5.530 0.848 -6.470 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.295 2.247 -7.472 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.910 1.404 -6.064 1.00 25.00 H new ATOM 0 HG2 LYS A 4 8.993 -0.291 -7.618 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.467 0.678 -8.980 1.00 25.00 H new ATOM 0 HD2 LYS A 4 10.266 1.717 -6.730 1.00 25.00 H new ATOM 0 HD3 LYS A 4 10.863 1.119 -8.264 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.487 2.876 -9.421 1.00 25.00 H new ATOM 0 HE3 LYS A 4 9.051 3.513 -7.848 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.890 4.743 -8.811 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 11.405 3.949 -7.401 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 11.828 3.332 -8.926 1.00 25.00 H new ATOM 75 N GLN A 5 6.097 -0.775 -9.195 1.00 25.00 N ATOM 76 CA GLN A 5 5.613 -0.888 -10.595 1.00 25.00 C ATOM 77 C GLN A 5 4.113 -1.175 -10.685 1.00 25.00 C ATOM 78 O GLN A 5 3.451 -0.743 -11.617 1.00 25.00 O ATOM 79 CB GLN A 5 6.382 -1.972 -11.329 1.00 25.00 C ATOM 80 CG GLN A 5 7.850 -1.621 -11.582 1.00 25.00 C ATOM 81 CD GLN A 5 8.570 -2.605 -12.452 1.00 25.00 C ATOM 82 OE1 GLN A 5 8.603 -3.788 -12.159 1.00 25.00 O ATOM 83 NE2 GLN A 5 9.153 -2.142 -13.515 1.00 25.00 N ATOM 0 H GLN A 5 6.675 -1.551 -8.872 1.00 25.00 H new ATOM 0 HA GLN A 5 5.787 0.080 -11.064 1.00 25.00 H new ATOM 0 HB2 GLN A 5 6.333 -2.895 -10.751 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.895 -2.168 -12.284 1.00 25.00 H new ATOM 0 HG2 GLN A 5 7.903 -0.636 -12.045 1.00 25.00 H new ATOM 0 HG3 GLN A 5 8.367 -1.552 -10.625 1.00 25.00 H new ATOM 0 HE21 GLN A 5 9.105 -1.146 -13.730 1.00 25.00 H new ATOM 0 HE22 GLN A 5 9.659 -2.774 -14.135 1.00 25.00 H new ATOM 92 N GLN A 6 3.563 -1.814 -9.651 1.00 25.00 N ATOM 93 CA GLN A 6 2.121 -2.067 -9.630 1.00 25.00 C ATOM 94 C GLN A 6 1.389 -0.738 -9.545 1.00 25.00 C ATOM 95 O GLN A 6 0.334 -0.543 -10.128 1.00 25.00 O ATOM 96 CB GLN A 6 1.748 -2.890 -8.395 1.00 25.00 C ATOM 97 CG GLN A 6 2.221 -4.353 -8.425 1.00 25.00 C ATOM 98 CD GLN A 6 1.406 -5.183 -9.391 1.00 25.00 C ATOM 99 OE1 GLN A 6 1.744 -5.307 -10.559 1.00 25.00 O ATOM 100 NE2 GLN A 6 0.337 -5.763 -8.910 1.00 25.00 N ATOM 0 H GLN A 6 4.076 -2.157 -8.839 1.00 25.00 H new ATOM 0 HA GLN A 6 1.845 -2.610 -10.534 1.00 25.00 H new ATOM 0 HB2 GLN A 6 2.168 -2.406 -7.513 1.00 25.00 H new ATOM 0 HB3 GLN A 6 0.664 -2.876 -8.281 1.00 25.00 H new ATOM 0 HG2 GLN A 6 3.272 -4.390 -8.710 1.00 25.00 H new ATOM 0 HG3 GLN A 6 2.147 -4.780 -7.425 1.00 25.00 H new ATOM 0 HE21 GLN A 6 0.086 -5.637 -7.929 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -0.245 -6.342 -9.515 1.00 25.00 H new ATOM 109 N ILE A 7 1.974 0.183 -8.782 1.00 25.00 N ATOM 110 CA ILE A 7 1.392 1.487 -8.605 1.00 25.00 C ATOM 111 C ILE A 7 1.453 2.280 -9.913 1.00 25.00 C ATOM 112 O ILE A 7 0.462 2.898 -10.304 1.00 25.00 O ATOM 113 CB ILE A 7 2.119 2.280 -7.475 1.00 25.00 C ATOM 114 CG1 ILE A 7 2.124 1.454 -6.160 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.448 3.650 -7.236 1.00 25.00 C ATOM 116 CD1 ILE A 7 3.103 1.992 -5.102 1.00 25.00 C ATOM 0 H ILE A 7 2.851 0.038 -8.281 1.00 25.00 H new ATOM 0 HA ILE A 7 0.350 1.350 -8.315 1.00 25.00 H new ATOM 0 HB ILE A 7 3.147 2.455 -7.793 1.00 25.00 H new ATOM 0 HG12 ILE A 7 1.118 1.446 -5.742 1.00 25.00 H new ATOM 0 HG13 ILE A 7 2.382 0.420 -6.390 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.976 4.180 -6.443 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.485 4.238 -8.153 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.409 3.500 -6.943 1.00 25.00 H new ATOM 0 HD11 ILE A 7 3.054 1.367 -4.210 1.00 25.00 H new ATOM 0 HD12 ILE A 7 4.117 1.975 -5.502 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.833 3.016 -4.843 1.00 25.00 H new ATOM 128 N MET A 8 2.591 2.211 -10.606 1.00 25.00 N ATOM 129 CA MET A 8 2.715 2.880 -11.900 1.00 25.00 C ATOM 130 C MET A 8 1.690 2.347 -12.896 1.00 25.00 C ATOM 131 O MET A 8 1.069 3.100 -13.620 1.00 25.00 O ATOM 132 CB MET A 8 4.125 2.697 -12.479 1.00 25.00 C ATOM 133 CG MET A 8 5.218 3.333 -11.631 1.00 25.00 C ATOM 134 SD MET A 8 6.852 3.114 -12.360 1.00 25.00 S ATOM 135 CE MET A 8 6.940 4.587 -13.469 1.00 25.00 C ATOM 0 H MET A 8 3.424 1.709 -10.300 1.00 25.00 H new ATOM 0 HA MET A 8 2.530 3.941 -11.734 1.00 25.00 H new ATOM 0 HB2 MET A 8 4.331 1.632 -12.583 1.00 25.00 H new ATOM 0 HB3 MET A 8 4.157 3.127 -13.480 1.00 25.00 H new ATOM 0 HG2 MET A 8 5.013 4.397 -11.514 1.00 25.00 H new ATOM 0 HG3 MET A 8 5.204 2.894 -10.633 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.896 4.592 -13.992 1.00 25.00 H new ATOM 0 HE2 MET A 8 6.129 4.544 -14.196 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.846 5.496 -12.875 1.00 25.00 H new ATOM 145 N ALA A 9 1.491 1.027 -12.929 1.00 25.00 N ATOM 146 CA ALA A 9 0.551 0.420 -13.874 1.00 25.00 C ATOM 147 C ALA A 9 -0.870 0.996 -13.726 1.00 25.00 C ATOM 148 O ALA A 9 -1.556 1.243 -14.714 1.00 25.00 O ATOM 149 CB ALA A 9 0.549 -1.113 -13.671 1.00 25.00 C ATOM 0 H ALA A 9 1.964 0.362 -12.317 1.00 25.00 H new ATOM 0 HA ALA A 9 0.878 0.656 -14.887 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -0.149 -1.572 -14.371 1.00 25.00 H new ATOM 0 HB2 ALA A 9 1.551 -1.505 -13.848 1.00 25.00 H new ATOM 0 HB3 ALA A 9 0.244 -1.344 -12.651 1.00 25.00 H new ATOM 155 N ALA A 10 -1.285 1.235 -12.505 1.00 25.00 N ATOM 156 CA ALA A 10 -2.604 1.796 -12.232 1.00 25.00 C ATOM 157 C ALA A 10 -2.710 3.223 -12.792 1.00 25.00 C ATOM 158 O ALA A 10 -3.698 3.606 -13.409 1.00 25.00 O ATOM 159 CB ALA A 10 -2.886 1.766 -10.716 1.00 25.00 C ATOM 0 H ALA A 10 -0.728 1.050 -11.671 1.00 25.00 H new ATOM 0 HA ALA A 10 -3.359 1.189 -12.731 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -3.873 2.187 -10.521 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -2.854 0.736 -10.360 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.131 2.354 -10.194 1.00 25.00 H new ATOM 165 N LEU A 11 -1.681 4.017 -12.555 1.00 25.00 N ATOM 166 CA LEU A 11 -1.665 5.411 -13.006 1.00 25.00 C ATOM 167 C LEU A 11 -1.642 5.480 -14.527 1.00 25.00 C ATOM 168 O LEU A 11 -2.240 6.388 -15.110 1.00 25.00 O ATOM 169 CB LEU A 11 -0.413 6.123 -12.490 1.00 25.00 C ATOM 170 CG LEU A 11 -0.285 6.294 -10.970 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.126 6.797 -10.670 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.334 7.274 -10.416 1.00 25.00 C ATOM 0 H LEU A 11 -0.842 3.727 -12.053 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.563 5.892 -12.620 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.459 5.573 -12.844 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.373 7.112 -12.947 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.463 5.335 -10.483 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.245 6.928 -9.594 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.855 6.071 -11.030 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.286 7.752 -11.171 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.210 7.368 -9.337 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.202 8.250 -10.883 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.334 6.899 -10.635 1.00 25.00 H new ATOM 184 N ASN A 12 -1.000 4.508 -15.160 1.00 25.00 N ATOM 185 CA ASN A 12 -0.882 4.476 -16.590 1.00 25.00 C ATOM 186 C ASN A 12 -2.240 4.313 -17.217 1.00 25.00 C ATOM 187 O ASN A 12 -2.524 4.889 -18.252 1.00 25.00 O ATOM 188 CB ASN A 12 0.037 3.331 -17.036 1.00 25.00 C ATOM 189 CG ASN A 12 1.483 3.553 -16.617 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.839 4.602 -16.121 1.00 25.00 O ATOM 191 ND2 ASN A 12 2.294 2.554 -16.801 1.00 25.00 N ATOM 0 H ASN A 12 -0.550 3.725 -14.686 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.445 5.419 -16.918 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.322 2.394 -16.611 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.013 3.229 -18.120 1.00 25.00 H new ATOM 0 HD21 ASN A 12 3.273 2.634 -16.525 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.952 1.690 -17.222 1.00 25.00 H new ATOM 198 N SER A 13 -3.114 3.543 -16.589 1.00 25.00 N ATOM 199 CA SER A 13 -4.481 3.361 -17.082 1.00 25.00 C ATOM 200 C SER A 13 -5.274 4.664 -17.029 1.00 25.00 C ATOM 201 O SER A 13 -5.982 5.020 -17.959 1.00 25.00 O ATOM 202 CB SER A 13 -5.192 2.331 -16.217 1.00 25.00 C ATOM 203 OG SER A 13 -4.442 1.134 -16.150 1.00 25.00 O ATOM 0 H SER A 13 -2.905 3.030 -15.733 1.00 25.00 H new ATOM 0 HA SER A 13 -4.422 3.029 -18.119 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.340 2.731 -15.214 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.181 2.124 -16.627 1.00 25.00 H new ATOM 0 HG SER A 13 -4.913 0.484 -15.588 1.00 25.00 H new ATOM 209 N GLN A 14 -5.120 5.391 -15.938 1.00 25.00 N ATOM 210 CA GLN A 14 -5.872 6.626 -15.743 1.00 25.00 C ATOM 211 C GLN A 14 -5.415 7.776 -16.628 1.00 25.00 C ATOM 212 O GLN A 14 -6.223 8.553 -17.121 1.00 25.00 O ATOM 213 CB GLN A 14 -5.808 7.073 -14.289 1.00 25.00 C ATOM 214 CG GLN A 14 -6.293 6.019 -13.269 1.00 25.00 C ATOM 215 CD GLN A 14 -7.716 5.554 -13.528 1.00 25.00 C ATOM 216 OE1 GLN A 14 -7.957 4.395 -13.821 1.00 25.00 O ATOM 217 NE2 GLN A 14 -8.651 6.452 -13.421 1.00 25.00 N ATOM 0 H GLN A 14 -4.486 5.154 -15.175 1.00 25.00 H new ATOM 0 HA GLN A 14 -6.896 6.384 -16.029 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.779 7.343 -14.051 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.409 7.975 -14.173 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -5.624 5.159 -13.298 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.230 6.438 -12.265 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -8.410 7.412 -13.174 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -9.625 6.196 -13.584 1.00 25.00 H new ATOM 226 N THR A 15 -4.122 7.873 -16.833 1.00 25.00 N ATOM 227 CA THR A 15 -3.558 8.968 -17.622 1.00 25.00 C ATOM 228 C THR A 15 -3.431 8.644 -19.097 1.00 25.00 C ATOM 229 O THR A 15 -2.932 9.450 -19.880 1.00 25.00 O ATOM 230 CB THR A 15 -2.114 9.331 -17.120 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.289 8.162 -17.118 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.138 9.890 -15.726 1.00 25.00 C ATOM 0 H THR A 15 -3.434 7.214 -16.470 1.00 25.00 H new ATOM 0 HA THR A 15 -4.256 9.795 -17.493 1.00 25.00 H new ATOM 0 HB THR A 15 -1.715 10.084 -17.800 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.532 7.592 -16.359 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.122 10.129 -15.412 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.746 10.794 -15.707 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.563 9.152 -15.045 1.00 25.00 H new ATOM 240 N ALA A 16 -3.882 7.446 -19.482 1.00 25.00 N ATOM 241 CA ALA A 16 -3.687 6.948 -20.853 1.00 25.00 C ATOM 242 C ALA A 16 -4.127 7.954 -21.941 1.00 25.00 C ATOM 243 O ALA A 16 -3.302 8.541 -22.637 1.00 25.00 O ATOM 244 CB ALA A 16 -4.451 5.610 -21.004 1.00 25.00 C ATOM 0 H ALA A 16 -4.383 6.803 -18.869 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.618 6.801 -21.006 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.317 5.227 -22.016 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.063 4.886 -20.287 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.512 5.774 -20.816 1.00 25.00 H new ATOM 250 N VAL A 17 -5.422 8.193 -22.067 1.00 25.00 N ATOM 251 CA VAL A 17 -5.935 9.076 -23.106 1.00 25.00 C ATOM 252 C VAL A 17 -5.609 10.535 -22.769 1.00 25.00 C ATOM 253 O VAL A 17 -5.459 11.357 -23.672 1.00 25.00 O ATOM 254 CB VAL A 17 -7.486 8.851 -23.336 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.330 9.391 -22.177 1.00 25.00 C ATOM 256 CG2 VAL A 17 -7.919 9.490 -24.652 1.00 25.00 C ATOM 0 H VAL A 17 -6.138 7.789 -21.464 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.441 8.833 -24.046 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.656 7.775 -23.382 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.386 9.213 -22.382 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.049 8.883 -21.255 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.157 10.462 -22.069 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -8.987 9.329 -24.800 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.714 10.560 -24.622 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.366 9.038 -25.475 1.00 25.00 H new ATOM 266 N GLN A 18 -5.460 10.843 -21.488 1.00 25.00 N ATOM 267 CA GLN A 18 -5.151 12.205 -21.054 1.00 25.00 C ATOM 268 C GLN A 18 -3.842 12.671 -21.665 1.00 25.00 C ATOM 269 O GLN A 18 -3.724 13.796 -22.132 1.00 25.00 O ATOM 270 CB GLN A 18 -5.107 12.287 -19.515 1.00 25.00 C ATOM 271 CG GLN A 18 -5.101 13.687 -18.975 1.00 25.00 C ATOM 272 CD GLN A 18 -5.151 13.728 -17.450 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.264 13.233 -16.788 1.00 25.00 O ATOM 274 NE2 GLN A 18 -6.170 14.334 -16.904 1.00 25.00 N ATOM 0 H GLN A 18 -5.548 10.169 -20.727 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.942 12.870 -21.402 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.968 11.756 -19.109 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.217 11.768 -19.160 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.204 14.201 -19.319 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.955 14.231 -19.378 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.898 14.739 -17.493 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -6.238 14.403 -15.889 1.00 25.00 H new ATOM 283 N PHE A 19 -2.828 11.799 -21.618 1.00 25.00 N ATOM 284 CA PHE A 19 -1.526 12.160 -22.137 1.00 25.00 C ATOM 285 C PHE A 19 -1.439 11.939 -23.638 1.00 25.00 C ATOM 286 O PHE A 19 -0.636 12.580 -24.342 1.00 25.00 O ATOM 287 CB PHE A 19 -0.454 11.354 -21.419 1.00 25.00 C ATOM 288 CG PHE A 19 -0.244 11.742 -19.948 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.979 12.769 -19.295 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.751 11.066 -19.199 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.739 13.102 -17.960 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.997 11.404 -17.840 1.00 25.00 C ATOM 293 CZ PHE A 19 0.264 12.424 -17.217 1.00 25.00 C ATOM 0 H PHE A 19 -2.892 10.857 -21.231 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.368 13.223 -21.956 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.717 10.297 -21.469 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.490 11.473 -21.951 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.740 13.304 -19.844 1.00 25.00 H new ATOM 0 HD2 PHE A 19 1.330 10.284 -19.667 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.320 13.881 -17.489 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.754 10.871 -17.284 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.459 12.690 -16.189 1.00 25.00 H new ATOM 303 N GLN A 20 -2.305 11.066 -24.153 1.00 25.00 N ATOM 304 CA GLN A 20 -2.333 10.746 -25.577 1.00 25.00 C ATOM 305 C GLN A 20 -2.663 11.991 -26.401 1.00 25.00 C ATOM 306 O GLN A 20 -2.115 12.179 -27.471 1.00 25.00 O ATOM 307 CB GLN A 20 -3.358 9.622 -25.847 1.00 25.00 C ATOM 308 CG GLN A 20 -3.297 9.029 -27.222 1.00 25.00 C ATOM 309 CD GLN A 20 -4.278 7.893 -27.422 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.983 7.473 -26.511 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.352 7.405 -28.628 1.00 25.00 N ATOM 0 H GLN A 20 -3.000 10.566 -23.599 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.346 10.395 -25.878 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.204 8.827 -25.117 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.360 10.017 -25.682 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.498 9.809 -27.957 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.287 8.666 -27.410 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.752 7.775 -29.366 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.010 6.653 -28.834 1.00 25.00 H new ATOM 320 N GLN A 21 -3.535 12.839 -25.880 1.00 25.00 N ATOM 321 CA GLN A 21 -3.899 14.073 -26.590 1.00 25.00 C ATOM 322 C GLN A 21 -2.673 14.959 -26.793 1.00 25.00 C ATOM 323 O GLN A 21 -2.478 15.518 -27.869 1.00 25.00 O ATOM 324 CB GLN A 21 -4.973 14.837 -25.797 1.00 25.00 C ATOM 325 CG GLN A 21 -6.312 14.126 -25.662 1.00 25.00 C ATOM 326 CD GLN A 21 -6.971 13.935 -27.011 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.201 14.891 -27.738 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.338 12.715 -27.340 1.00 25.00 N ATOM 0 H GLN A 21 -4.002 12.707 -24.983 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.298 13.805 -27.568 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.587 15.042 -24.798 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.139 15.801 -26.278 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.165 13.156 -25.186 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.969 14.704 -25.012 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.134 11.935 -26.715 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -7.827 12.549 -28.220 1.00 25.00 H new ATOM 337 N TYR A 22 -1.846 15.087 -25.771 1.00 25.00 N ATOM 338 CA TYR A 22 -0.617 15.877 -25.871 1.00 25.00 C ATOM 339 C TYR A 22 0.404 15.196 -26.787 1.00 25.00 C ATOM 340 O TYR A 22 1.048 15.846 -27.627 1.00 25.00 O ATOM 341 CB TYR A 22 -0.022 16.061 -24.480 1.00 25.00 C ATOM 342 CG TYR A 22 1.357 16.653 -24.501 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.550 18.029 -24.758 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.494 15.858 -24.245 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.858 18.599 -24.785 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.821 16.420 -24.270 1.00 25.00 C ATOM 347 CZ TYR A 22 3.989 17.797 -24.535 1.00 25.00 C ATOM 348 OH TYR A 22 5.218 18.394 -24.560 1.00 25.00 O ATOM 0 H TYR A 22 -1.997 14.656 -24.859 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.862 16.848 -26.302 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.678 16.704 -23.893 1.00 25.00 H new ATOM 0 HB3 TYR A 22 0.012 15.095 -23.976 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.692 18.661 -24.937 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.368 14.808 -24.026 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.982 19.651 -24.998 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.681 15.793 -24.087 1.00 25.00 H new ATOM 0 HH TYR A 22 5.910 17.726 -24.370 1.00 25.00 H new ATOM 358 N ALA A 23 0.585 13.883 -26.633 1.00 25.00 N ATOM 359 CA ALA A 23 1.546 13.148 -27.454 1.00 25.00 C ATOM 360 C ALA A 23 1.211 13.260 -28.934 1.00 25.00 C ATOM 361 O ALA A 23 2.103 13.316 -29.773 1.00 25.00 O ATOM 362 CB ALA A 23 1.621 11.678 -27.026 1.00 25.00 C ATOM 0 H ALA A 23 0.083 13.312 -25.953 1.00 25.00 H new ATOM 0 HA ALA A 23 2.525 13.600 -27.298 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.343 11.153 -27.652 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.934 11.618 -25.984 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.640 11.216 -27.138 1.00 25.00 H new ATOM 368 N ALA A 24 -0.074 13.300 -29.256 1.00 25.00 N ATOM 369 CA ALA A 24 -0.507 13.367 -30.640 1.00 25.00 C ATOM 370 C ALA A 24 -0.155 14.709 -31.291 1.00 25.00 C ATOM 371 O ALA A 24 0.001 14.791 -32.499 1.00 25.00 O ATOM 372 CB ALA A 24 -1.991 13.117 -30.708 1.00 25.00 C ATOM 0 H ALA A 24 -0.834 13.287 -28.575 1.00 25.00 H new ATOM 0 HA ALA A 24 0.023 12.597 -31.201 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.321 13.166 -31.746 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.213 12.129 -30.303 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.515 13.874 -30.124 1.00 25.00 H new ATOM 378 N GLN A 25 0.005 15.754 -30.481 1.00 25.00 N ATOM 379 CA GLN A 25 0.361 17.060 -30.995 1.00 25.00 C ATOM 380 C GLN A 25 1.852 17.121 -31.292 1.00 25.00 C ATOM 381 O GLN A 25 2.299 17.935 -32.116 1.00 25.00 O ATOM 382 CB GLN A 25 0.014 18.121 -29.958 1.00 25.00 C ATOM 383 CG GLN A 25 -1.490 18.322 -29.745 1.00 25.00 C ATOM 384 CD GLN A 25 -1.780 19.496 -28.851 1.00 25.00 C ATOM 385 OE1 GLN A 25 -1.088 19.740 -27.874 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.789 20.249 -29.188 1.00 25.00 N ATOM 0 H GLN A 25 -0.108 15.714 -29.468 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.194 17.241 -31.916 1.00 25.00 H new ATOM 0 HB2 GLN A 25 0.471 17.847 -29.007 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.457 19.069 -30.263 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -1.976 18.472 -30.709 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.918 17.420 -29.309 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.346 20.017 -30.010 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -3.021 21.070 -28.630 1.00 25.00 H new ATOM 395 N GLN A 26 2.630 16.326 -30.570 1.00 25.00 N ATOM 396 CA GLN A 26 4.081 16.353 -30.656 1.00 25.00 C ATOM 397 C GLN A 26 4.593 15.390 -31.730 1.00 25.00 C ATOM 398 O GLN A 26 5.436 15.751 -32.547 1.00 25.00 O ATOM 399 CB GLN A 26 4.668 15.958 -29.303 1.00 25.00 C ATOM 400 CG GLN A 26 4.441 17.023 -28.212 1.00 25.00 C ATOM 401 CD GLN A 26 5.253 18.296 -28.451 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.466 18.271 -28.443 1.00 25.00 O ATOM 403 NE2 GLN A 26 4.574 19.394 -28.615 1.00 25.00 N ATOM 0 H GLN A 26 2.269 15.642 -29.905 1.00 25.00 H new ATOM 0 HA GLN A 26 4.392 17.362 -30.927 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.223 15.016 -28.981 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.738 15.783 -29.415 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.381 17.275 -28.171 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.706 16.605 -27.241 1.00 25.00 H new ATOM 0 HE21 GLN A 26 3.554 19.368 -28.615 1.00 25.00 H new ATOM 0 HE22 GLN A 26 5.061 20.281 -28.744 1.00 25.00 H new ATOM 412 N TYR A 27 4.068 14.164 -31.726 1.00 25.00 N ATOM 413 CA TYR A 27 4.430 13.164 -32.725 1.00 25.00 C ATOM 414 C TYR A 27 3.198 12.714 -33.509 1.00 25.00 C ATOM 415 O TYR A 27 2.747 11.576 -33.379 1.00 25.00 O ATOM 416 CB TYR A 27 5.094 11.955 -32.064 1.00 25.00 C ATOM 417 CG TYR A 27 6.365 12.307 -31.319 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.338 13.180 -31.903 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.650 11.782 -30.048 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.540 13.518 -31.210 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.867 12.135 -29.361 1.00 25.00 C ATOM 422 CZ TYR A 27 8.787 12.994 -29.955 1.00 25.00 C ATOM 423 OH TYR A 27 9.933 13.321 -29.270 1.00 25.00 O ATOM 0 H TYR A 27 3.388 13.841 -31.038 1.00 25.00 H new ATOM 0 HA TYR A 27 5.139 13.621 -33.415 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.389 11.495 -31.371 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.322 11.211 -32.827 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.160 13.591 -32.886 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.949 11.106 -29.580 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.257 14.184 -31.667 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.066 11.731 -28.380 1.00 25.00 H new ATOM 0 HH TYR A 27 9.939 12.862 -28.404 1.00 25.00 H new ATOM 433 N PRO A 28 2.639 13.599 -34.361 1.00 25.00 N ATOM 434 CA PRO A 28 1.447 13.149 -35.086 1.00 25.00 C ATOM 435 C PRO A 28 1.732 12.090 -36.130 1.00 25.00 C ATOM 436 O PRO A 28 2.763 12.095 -36.792 1.00 25.00 O ATOM 437 CB PRO A 28 0.963 14.437 -35.727 1.00 25.00 C ATOM 438 CG PRO A 28 2.188 15.234 -35.939 1.00 25.00 C ATOM 439 CD PRO A 28 2.983 14.984 -34.714 1.00 25.00 C ATOM 0 HA PRO A 28 0.723 12.665 -34.431 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.450 14.242 -36.669 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.257 14.960 -35.081 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.722 14.918 -36.835 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.961 16.293 -36.060 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.051 15.098 -34.898 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.721 15.679 -33.916 1.00 25.00 H new ATOM 447 N GLY A 29 0.821 11.103 -36.223 1.00 25.00 N ATOM 448 CA GLY A 29 1.028 10.021 -37.167 1.00 25.00 C ATOM 449 C GLY A 29 1.923 8.882 -36.705 1.00 25.00 C ATOM 450 O GLY A 29 1.952 7.843 -37.354 1.00 25.00 O ATOM 0 H GLY A 29 -0.034 11.043 -35.670 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.055 9.606 -37.429 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.452 10.440 -38.079 1.00 25.00 H new ATOM 454 N ASN A 30 2.629 9.041 -35.598 1.00 25.00 N ATOM 455 CA ASN A 30 3.593 8.048 -35.138 1.00 25.00 C ATOM 456 C ASN A 30 3.115 7.443 -33.815 1.00 25.00 C ATOM 457 O ASN A 30 3.511 7.898 -32.751 1.00 25.00 O ATOM 458 CB ASN A 30 4.981 8.683 -34.987 1.00 25.00 C ATOM 459 CG ASN A 30 5.772 8.619 -36.259 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.759 9.516 -37.068 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.436 7.510 -36.468 1.00 25.00 N ATOM 0 H ASN A 30 2.553 9.858 -34.993 1.00 25.00 H new ATOM 0 HA ASN A 30 3.671 7.250 -35.876 1.00 25.00 H new ATOM 0 HB2 ASN A 30 4.872 9.723 -34.681 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.528 8.173 -34.194 1.00 25.00 H new ATOM 0 HD21 ASN A 30 6.962 7.386 -37.333 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.428 6.771 -35.766 1.00 25.00 H new ATOM 468 N TYR A 31 2.298 6.404 -33.902 1.00 25.00 N ATOM 469 CA TYR A 31 1.785 5.740 -32.708 1.00 25.00 C ATOM 470 C TYR A 31 2.889 5.322 -31.735 1.00 25.00 C ATOM 471 O TYR A 31 2.819 5.622 -30.551 1.00 25.00 O ATOM 472 CB TYR A 31 0.969 4.516 -33.121 1.00 25.00 C ATOM 473 CG TYR A 31 0.578 3.638 -31.952 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.510 3.984 -31.133 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.298 2.462 -31.657 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.888 3.184 -30.024 1.00 25.00 C ATOM 477 CE2 TYR A 31 0.934 1.647 -30.545 1.00 25.00 C ATOM 478 CZ TYR A 31 -0.149 2.016 -29.735 1.00 25.00 C ATOM 479 OH TYR A 31 -0.510 1.229 -28.662 1.00 25.00 O ATOM 0 H TYR A 31 1.976 6.002 -34.782 1.00 25.00 H new ATOM 0 HA TYR A 31 1.158 6.460 -32.182 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.067 4.846 -33.637 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.546 3.926 -33.833 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -1.072 4.880 -31.353 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.133 2.176 -32.279 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.730 3.465 -29.409 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.491 0.748 -30.327 1.00 25.00 H new ATOM 0 HH TYR A 31 0.097 0.462 -28.600 1.00 25.00 H new ATOM 489 N GLU A 32 3.938 4.677 -32.234 1.00 25.00 N ATOM 490 CA GLU A 32 5.041 4.214 -31.380 1.00 25.00 C ATOM 491 C GLU A 32 5.717 5.350 -30.614 1.00 25.00 C ATOM 492 O GLU A 32 5.939 5.248 -29.423 1.00 25.00 O ATOM 493 CB GLU A 32 6.069 3.438 -32.216 1.00 25.00 C ATOM 494 CG GLU A 32 6.568 4.184 -33.464 1.00 25.00 C ATOM 495 CD GLU A 32 7.422 3.310 -34.346 1.00 25.00 C ATOM 496 OE1 GLU A 32 6.913 2.274 -34.798 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.576 3.692 -34.606 1.00 25.00 O ATOM 0 H GLU A 32 4.053 4.460 -33.224 1.00 25.00 H new ATOM 0 HA GLU A 32 4.608 3.551 -30.632 1.00 25.00 H new ATOM 0 HB2 GLU A 32 6.925 3.198 -31.585 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.626 2.492 -32.526 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.713 4.547 -34.034 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.142 5.059 -33.157 1.00 25.00 H new ATOM 504 N GLN A 33 6.004 6.446 -31.294 1.00 25.00 N ATOM 505 CA GLN A 33 6.680 7.559 -30.657 1.00 25.00 C ATOM 506 C GLN A 33 5.780 8.222 -29.643 1.00 25.00 C ATOM 507 O GLN A 33 6.223 8.621 -28.566 1.00 25.00 O ATOM 508 CB GLN A 33 7.126 8.601 -31.690 1.00 25.00 C ATOM 509 CG GLN A 33 8.126 8.101 -32.714 1.00 25.00 C ATOM 510 CD GLN A 33 9.367 7.532 -32.073 1.00 25.00 C ATOM 511 OE1 GLN A 33 9.921 8.112 -31.132 1.00 25.00 O ATOM 512 NE2 GLN A 33 9.822 6.410 -32.572 1.00 25.00 N ATOM 0 H GLN A 33 5.781 6.588 -32.279 1.00 25.00 H new ATOM 0 HA GLN A 33 7.560 7.159 -30.154 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.245 8.970 -32.215 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.562 9.450 -31.163 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.657 7.337 -33.333 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.405 8.921 -33.376 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.335 5.963 -33.349 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.663 5.983 -32.184 1.00 25.00 H new ATOM 521 N GLN A 34 4.481 8.281 -29.937 1.00 25.00 N ATOM 522 CA GLN A 34 3.518 8.786 -28.942 1.00 25.00 C ATOM 523 C GLN A 34 3.569 7.927 -27.668 1.00 25.00 C ATOM 524 O GLN A 34 3.474 8.429 -26.577 1.00 25.00 O ATOM 525 CB GLN A 34 2.108 8.780 -29.529 1.00 25.00 C ATOM 526 CG GLN A 34 1.842 9.861 -30.555 1.00 25.00 C ATOM 527 CD GLN A 34 0.505 9.712 -31.219 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.436 9.158 -30.660 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.395 10.203 -32.413 1.00 25.00 N ATOM 0 H GLN A 34 4.074 7.996 -30.828 1.00 25.00 H new ATOM 0 HA GLN A 34 3.786 9.810 -28.681 1.00 25.00 H new ATOM 0 HB2 GLN A 34 1.926 7.809 -29.990 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.391 8.887 -28.715 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.896 10.836 -30.072 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.625 9.837 -31.313 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.195 10.658 -32.853 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.491 10.134 -32.913 1.00 25.00 H new ATOM 538 N GLN A 35 3.760 6.625 -27.817 1.00 25.00 N ATOM 539 CA GLN A 35 3.772 5.724 -26.655 1.00 25.00 C ATOM 540 C GLN A 35 5.029 5.947 -25.818 1.00 25.00 C ATOM 541 O GLN A 35 4.957 5.996 -24.589 1.00 25.00 O ATOM 542 CB GLN A 35 3.642 4.253 -27.114 1.00 25.00 C ATOM 543 CG GLN A 35 2.269 3.922 -27.742 1.00 25.00 C ATOM 544 CD GLN A 35 1.134 3.886 -26.724 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.129 3.085 -25.804 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.149 4.732 -26.906 1.00 25.00 N ATOM 0 H GLN A 35 3.908 6.165 -28.715 1.00 25.00 H new ATOM 0 HA GLN A 35 2.914 5.950 -26.022 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.426 4.036 -27.840 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.809 3.598 -26.259 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.039 4.664 -28.507 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.330 2.956 -28.243 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.180 5.391 -27.684 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.648 4.731 -26.270 1.00 25.00 H new ATOM 555 N ILE A 36 6.153 6.121 -26.487 1.00 25.00 N ATOM 556 CA ILE A 36 7.435 6.375 -25.811 1.00 25.00 C ATOM 557 C ILE A 36 7.333 7.698 -25.033 1.00 25.00 C ATOM 558 O ILE A 36 7.811 7.810 -23.906 1.00 25.00 O ATOM 559 CB ILE A 36 8.584 6.472 -26.842 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.733 5.137 -27.592 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.916 6.836 -26.177 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.537 5.240 -28.929 1.00 25.00 C ATOM 0 H ILE A 36 6.216 6.093 -27.505 1.00 25.00 H new ATOM 0 HA ILE A 36 7.649 5.551 -25.130 1.00 25.00 H new ATOM 0 HB ILE A 36 8.328 7.266 -27.544 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.228 4.419 -26.938 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.740 4.741 -27.807 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.697 6.894 -26.935 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.822 7.801 -25.678 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.178 6.072 -25.444 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.596 4.256 -29.395 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.033 5.932 -29.604 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.543 5.604 -28.721 1.00 25.00 H new ATOM 574 N LEU A 37 6.717 8.709 -25.644 1.00 25.00 N ATOM 575 CA LEU A 37 6.587 10.014 -25.021 1.00 25.00 C ATOM 576 C LEU A 37 5.703 9.918 -23.777 1.00 25.00 C ATOM 577 O LEU A 37 6.078 10.377 -22.699 1.00 25.00 O ATOM 578 CB LEU A 37 5.971 10.979 -26.014 1.00 25.00 C ATOM 579 CG LEU A 37 5.765 12.413 -25.519 1.00 25.00 C ATOM 580 CD1 LEU A 37 7.019 13.061 -24.889 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.305 13.253 -26.692 1.00 25.00 C ATOM 0 H LEU A 37 6.301 8.643 -26.573 1.00 25.00 H new ATOM 0 HA LEU A 37 7.573 10.372 -24.723 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.604 11.010 -26.901 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.005 10.581 -26.325 1.00 25.00 H new ATOM 0 HG LEU A 37 5.023 12.370 -24.721 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.782 14.075 -24.567 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.340 12.473 -24.029 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.821 13.093 -25.626 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.151 14.281 -26.365 1.00 25.00 H new ATOM 0 HD22 LEU A 37 6.063 13.231 -27.475 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.369 12.852 -27.082 1.00 25.00 H new ATOM 593 N ILE A 38 4.552 9.270 -23.904 1.00 25.00 N ATOM 594 CA ILE A 38 3.633 9.070 -22.786 1.00 25.00 C ATOM 595 C ILE A 38 4.319 8.336 -21.642 1.00 25.00 C ATOM 596 O ILE A 38 4.104 8.658 -20.476 1.00 25.00 O ATOM 597 CB ILE A 38 2.351 8.306 -23.241 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.535 9.216 -24.185 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.468 7.865 -22.026 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.526 8.483 -25.066 1.00 25.00 C ATOM 0 H ILE A 38 4.228 8.868 -24.783 1.00 25.00 H new ATOM 0 HA ILE A 38 3.329 10.053 -22.426 1.00 25.00 H new ATOM 0 HB ILE A 38 2.659 7.399 -23.761 1.00 25.00 H new ATOM 0 HG12 ILE A 38 1.003 9.955 -23.585 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.226 9.764 -24.826 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.587 7.337 -22.390 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.045 7.205 -21.378 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.157 8.745 -21.464 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.001 9.203 -25.694 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.049 7.764 -25.697 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.193 7.958 -24.437 1.00 25.00 H new ATOM 612 N ARG A 39 5.173 7.383 -21.971 1.00 25.00 N ATOM 613 CA ARG A 39 5.906 6.626 -20.947 1.00 25.00 C ATOM 614 C ARG A 39 6.754 7.528 -20.073 1.00 25.00 C ATOM 615 O ARG A 39 6.779 7.393 -18.871 1.00 25.00 O ATOM 616 CB ARG A 39 6.798 5.543 -21.588 1.00 25.00 C ATOM 617 CG ARG A 39 6.604 4.164 -20.958 1.00 25.00 C ATOM 618 CD ARG A 39 7.091 4.119 -19.495 1.00 25.00 C ATOM 619 NE ARG A 39 7.045 2.741 -18.974 1.00 25.00 N ATOM 620 CZ ARG A 39 8.033 1.864 -19.058 1.00 25.00 C ATOM 621 NH1 ARG A 39 9.153 2.133 -19.643 1.00 25.00 N ATOM 622 NH2 ARG A 39 7.836 0.681 -18.562 1.00 25.00 N ATOM 0 H ARG A 39 5.382 7.109 -22.931 1.00 25.00 H new ATOM 0 HA ARG A 39 5.156 6.147 -20.318 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.580 5.484 -22.654 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.843 5.837 -21.492 1.00 25.00 H new ATOM 0 HG2 ARG A 39 5.549 3.894 -20.996 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.145 3.420 -21.542 1.00 25.00 H new ATOM 0 HD2 ARG A 39 8.109 4.503 -19.433 1.00 25.00 H new ATOM 0 HD3 ARG A 39 6.468 4.767 -18.879 1.00 25.00 H new ATOM 0 HE ARG A 39 6.186 2.440 -18.513 1.00 25.00 H new ATOM 0 HH11 ARG A 39 9.302 3.051 -20.063 1.00 25.00 H new ATOM 0 HH12 ARG A 39 9.889 1.428 -19.685 1.00 25.00 H new ATOM 0 HH21 ARG A 39 6.943 0.453 -18.126 1.00 25.00 H new ATOM 0 HH22 ARG A 39 8.575 -0.021 -18.608 1.00 25.00 H new ATOM 636 N GLN A 40 7.425 8.489 -20.686 1.00 25.00 N ATOM 637 CA GLN A 40 8.242 9.424 -19.921 1.00 25.00 C ATOM 638 C GLN A 40 7.372 10.387 -19.115 1.00 25.00 C ATOM 639 O GLN A 40 7.700 10.700 -17.972 1.00 25.00 O ATOM 640 CB GLN A 40 9.199 10.194 -20.833 1.00 25.00 C ATOM 641 CG GLN A 40 10.534 9.468 -21.003 1.00 25.00 C ATOM 642 CD GLN A 40 10.458 8.213 -21.883 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.131 7.128 -21.415 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.776 8.355 -23.130 1.00 25.00 N ATOM 0 H GLN A 40 7.423 8.644 -21.694 1.00 25.00 H new ATOM 0 HA GLN A 40 8.839 8.841 -19.219 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.735 10.335 -21.809 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.376 11.186 -20.418 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.258 10.158 -21.435 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.910 9.187 -20.019 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.043 9.272 -23.487 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.759 7.550 -23.756 1.00 25.00 H new ATOM 653 N LEU A 41 6.235 10.801 -19.671 1.00 25.00 N ATOM 654 CA LEU A 41 5.307 11.656 -18.933 1.00 25.00 C ATOM 655 C LEU A 41 4.767 10.917 -17.690 1.00 25.00 C ATOM 656 O LEU A 41 4.624 11.507 -16.621 1.00 25.00 O ATOM 657 CB LEU A 41 4.121 12.055 -19.821 1.00 25.00 C ATOM 658 CG LEU A 41 4.389 12.814 -21.136 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.128 12.915 -21.965 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.944 14.202 -20.902 1.00 25.00 C ATOM 0 H LEU A 41 5.937 10.563 -20.617 1.00 25.00 H new ATOM 0 HA LEU A 41 5.849 12.549 -18.624 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.578 11.144 -20.073 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.452 12.669 -19.218 1.00 25.00 H new ATOM 0 HG LEU A 41 5.141 12.237 -21.675 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.341 13.454 -22.888 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.769 11.914 -22.204 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.364 13.449 -21.401 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.114 14.692 -21.861 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.232 14.785 -20.318 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.886 14.130 -20.359 1.00 25.00 H new ATOM 672 N GLN A 42 4.485 9.624 -17.834 1.00 25.00 N ATOM 673 CA GLN A 42 3.993 8.787 -16.749 1.00 25.00 C ATOM 674 C GLN A 42 5.071 8.573 -15.677 1.00 25.00 C ATOM 675 O GLN A 42 4.768 8.527 -14.479 1.00 25.00 O ATOM 676 CB GLN A 42 3.506 7.448 -17.296 1.00 25.00 C ATOM 677 CG GLN A 42 2.186 7.560 -18.065 1.00 25.00 C ATOM 678 CD GLN A 42 1.800 6.298 -18.784 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.622 5.409 -19.022 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.534 6.210 -19.143 1.00 25.00 N ATOM 0 H GLN A 42 4.594 9.126 -18.717 1.00 25.00 H new ATOM 0 HA GLN A 42 3.155 9.301 -16.278 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.269 7.031 -17.954 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.381 6.748 -16.470 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.391 7.829 -17.369 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.264 8.371 -18.789 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.112 6.969 -18.926 1.00 25.00 H new ATOM 0 HE22 GLN A 42 0.201 5.383 -19.638 1.00 25.00 H new ATOM 689 N GLU A 43 6.338 8.478 -16.087 1.00 25.00 N ATOM 690 CA GLU A 43 7.424 8.367 -15.111 1.00 25.00 C ATOM 691 C GLU A 43 7.428 9.579 -14.186 1.00 25.00 C ATOM 692 O GLU A 43 7.542 9.451 -12.965 1.00 25.00 O ATOM 693 CB GLU A 43 8.775 8.251 -15.833 1.00 25.00 C ATOM 694 CG GLU A 43 9.867 7.563 -15.004 1.00 25.00 C ATOM 695 CD GLU A 43 11.223 8.230 -15.134 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.410 9.337 -14.575 1.00 25.00 O ATOM 697 OE2 GLU A 43 12.148 7.628 -15.742 1.00 25.00 O ATOM 0 H GLU A 43 6.633 8.476 -17.063 1.00 25.00 H new ATOM 0 HA GLU A 43 7.266 7.470 -14.513 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.633 7.696 -16.761 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.116 9.249 -16.107 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.570 7.559 -13.955 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.950 6.522 -15.316 1.00 25.00 H new ATOM 704 N GLN A 44 7.267 10.762 -14.768 1.00 25.00 N ATOM 705 CA GLN A 44 7.202 12.008 -14.009 1.00 25.00 C ATOM 706 C GLN A 44 5.887 12.128 -13.218 1.00 25.00 C ATOM 707 O GLN A 44 5.898 12.591 -12.093 1.00 25.00 O ATOM 708 CB GLN A 44 7.401 13.190 -14.953 1.00 25.00 C ATOM 709 CG GLN A 44 7.724 14.500 -14.223 1.00 25.00 C ATOM 710 CD GLN A 44 8.261 15.562 -15.169 1.00 25.00 C ATOM 711 OE1 GLN A 44 7.706 15.808 -16.219 1.00 25.00 O ATOM 712 NE2 GLN A 44 9.331 16.208 -14.770 1.00 25.00 N ATOM 0 H GLN A 44 7.178 10.886 -15.777 1.00 25.00 H new ATOM 0 HA GLN A 44 8.004 12.009 -13.271 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.209 12.960 -15.647 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.498 13.327 -15.549 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.825 14.873 -13.732 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.458 14.307 -13.440 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.768 15.970 -13.879 1.00 25.00 H new ATOM 0 HE22 GLN A 44 9.726 16.948 -15.350 1.00 25.00 H new ATOM 721 N HIS A 45 4.793 11.674 -13.786 1.00 25.00 N ATOM 722 CA HIS A 45 3.505 11.681 -13.077 1.00 25.00 C ATOM 723 C HIS A 45 3.538 10.777 -11.823 1.00 25.00 C ATOM 724 O HIS A 45 2.889 11.076 -10.823 1.00 25.00 O ATOM 725 CB HIS A 45 2.364 11.229 -13.993 1.00 25.00 C ATOM 726 CG HIS A 45 0.997 11.480 -13.404 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.358 12.690 -13.405 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.152 10.645 -12.735 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.803 12.559 -12.773 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.989 11.324 -12.358 1.00 25.00 N ATOM 0 H HIS A 45 4.755 11.294 -14.732 1.00 25.00 H new ATOM 0 HA HIS A 45 3.328 12.710 -12.764 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.443 11.751 -14.947 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.473 10.165 -14.202 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.347 9.603 -12.530 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.506 13.364 -12.619 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.800 10.950 -11.865 1.00 25.00 H new ATOM 738 N TYR A 46 4.340 9.731 -11.850 1.00 25.00 N ATOM 739 CA TYR A 46 4.484 8.858 -10.695 1.00 25.00 C ATOM 740 C TYR A 46 5.037 9.627 -9.511 1.00 25.00 C ATOM 741 O TYR A 46 4.668 9.360 -8.357 1.00 25.00 O ATOM 742 CB TYR A 46 5.361 7.662 -11.031 1.00 25.00 C ATOM 743 CG TYR A 46 5.647 6.793 -9.833 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.666 5.925 -9.339 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.901 6.826 -9.189 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.923 5.106 -8.224 1.00 25.00 C ATOM 747 CE2 TYR A 46 7.152 6.005 -8.060 1.00 25.00 C ATOM 748 CZ TYR A 46 6.165 5.167 -7.598 1.00 25.00 C ATOM 749 OH TYR A 46 6.406 4.402 -6.493 1.00 25.00 O ATOM 0 H TYR A 46 4.903 9.463 -12.657 1.00 25.00 H new ATOM 0 HA TYR A 46 3.498 8.483 -10.421 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.872 7.064 -11.800 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.303 8.014 -11.452 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.700 5.883 -9.820 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.676 7.481 -9.558 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.162 4.434 -7.856 1.00 25.00 H new ATOM 0 HE2 TYR A 46 8.112 6.038 -7.567 1.00 25.00 H new ATOM 0 HH TYR A 46 6.156 4.902 -5.688 1.00 25.00 H new ATOM 759 N GLN A 47 5.868 10.627 -9.777 1.00 25.00 N ATOM 760 CA GLN A 47 6.448 11.422 -8.708 1.00 25.00 C ATOM 761 C GLN A 47 5.366 12.251 -7.991 1.00 25.00 C ATOM 762 O GLN A 47 5.343 12.324 -6.782 1.00 25.00 O ATOM 763 CB GLN A 47 7.516 12.382 -9.274 1.00 25.00 C ATOM 764 CG GLN A 47 8.650 11.703 -10.045 1.00 25.00 C ATOM 765 CD GLN A 47 9.606 12.679 -10.703 1.00 25.00 C ATOM 766 OE1 GLN A 47 9.674 13.837 -10.340 1.00 25.00 O ATOM 767 NE2 GLN A 47 10.322 12.221 -11.704 1.00 25.00 N ATOM 0 H GLN A 47 6.152 10.903 -10.717 1.00 25.00 H new ATOM 0 HA GLN A 47 6.906 10.736 -7.996 1.00 25.00 H new ATOM 0 HB2 GLN A 47 7.026 13.099 -9.933 1.00 25.00 H new ATOM 0 HB3 GLN A 47 7.946 12.950 -8.449 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.210 11.063 -9.363 1.00 25.00 H new ATOM 0 HG3 GLN A 47 8.221 11.056 -10.810 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.241 11.243 -11.983 1.00 25.00 H new ATOM 0 HE22 GLN A 47 10.959 12.843 -12.202 1.00 25.00 H new ATOM 776 N GLN A 48 4.437 12.835 -8.745 1.00 25.00 N ATOM 777 CA GLN A 48 3.362 13.623 -8.151 1.00 25.00 C ATOM 778 C GLN A 48 2.498 12.760 -7.249 1.00 25.00 C ATOM 779 O GLN A 48 2.088 13.180 -6.170 1.00 25.00 O ATOM 780 CB GLN A 48 2.474 14.238 -9.238 1.00 25.00 C ATOM 781 CG GLN A 48 1.468 15.263 -8.668 1.00 25.00 C ATOM 782 CD GLN A 48 0.460 15.710 -9.706 1.00 25.00 C ATOM 783 OE1 GLN A 48 -0.696 15.390 -9.600 1.00 25.00 O ATOM 784 NE2 GLN A 48 0.908 16.471 -10.673 1.00 25.00 N ATOM 0 H GLN A 48 4.408 12.777 -9.763 1.00 25.00 H new ATOM 0 HA GLN A 48 3.824 14.417 -7.565 1.00 25.00 H new ATOM 0 HB2 GLN A 48 3.102 14.726 -9.983 1.00 25.00 H new ATOM 0 HB3 GLN A 48 1.929 13.445 -9.750 1.00 25.00 H new ATOM 0 HG2 GLN A 48 0.943 14.822 -7.820 1.00 25.00 H new ATOM 0 HG3 GLN A 48 2.009 16.131 -8.292 1.00 25.00 H new ATOM 0 HE21 GLN A 48 1.898 16.712 -10.715 1.00 25.00 H new ATOM 0 HE22 GLN A 48 0.267 16.823 -11.384 1.00 25.00 H new ATOM 793 N TYR A 49 2.257 11.539 -7.679 1.00 25.00 N ATOM 794 CA TYR A 49 1.453 10.624 -6.888 1.00 25.00 C ATOM 795 C TYR A 49 2.132 10.309 -5.563 1.00 25.00 C ATOM 796 O TYR A 49 1.492 10.325 -4.513 1.00 25.00 O ATOM 797 CB TYR A 49 1.154 9.361 -7.684 1.00 25.00 C ATOM 798 CG TYR A 49 0.140 8.477 -6.994 1.00 25.00 C ATOM 799 CD1 TYR A 49 -1.132 8.977 -6.638 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.449 7.147 -6.674 1.00 25.00 C ATOM 801 CE1 TYR A 49 -2.076 8.147 -5.970 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.497 6.332 -6.015 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.741 6.840 -5.668 1.00 25.00 C ATOM 804 OH TYR A 49 -2.626 6.038 -5.009 1.00 25.00 O ATOM 0 H TYR A 49 2.600 11.158 -8.561 1.00 25.00 H new ATOM 0 HA TYR A 49 0.503 11.105 -6.655 1.00 25.00 H new ATOM 0 HB2 TYR A 49 0.782 9.635 -8.671 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.077 8.802 -7.835 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -1.391 9.998 -6.875 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.417 6.744 -6.933 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -3.047 8.535 -5.701 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.251 5.307 -5.780 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.230 5.151 -4.879 1.00 25.00 H new ATOM 814 N MET A 50 3.440 10.055 -5.579 1.00 25.00 N ATOM 815 CA MET A 50 4.162 9.771 -4.333 1.00 25.00 C ATOM 816 C MET A 50 4.193 10.977 -3.419 1.00 25.00 C ATOM 817 O MET A 50 4.049 10.844 -2.207 1.00 25.00 O ATOM 818 CB MET A 50 5.615 9.381 -4.645 1.00 25.00 C ATOM 819 CG MET A 50 5.716 8.034 -5.286 1.00 25.00 C ATOM 820 SD MET A 50 5.291 6.654 -4.172 1.00 25.00 S ATOM 821 CE MET A 50 3.701 6.213 -4.827 1.00 25.00 C ATOM 0 H MET A 50 4.015 10.039 -6.421 1.00 25.00 H new ATOM 0 HA MET A 50 3.637 8.955 -3.837 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.056 10.129 -5.304 1.00 25.00 H new ATOM 0 HB3 MET A 50 6.196 9.387 -3.723 1.00 25.00 H new ATOM 0 HG2 MET A 50 5.057 8.005 -6.153 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.732 7.892 -5.653 1.00 25.00 H new ATOM 0 HE1 MET A 50 3.072 5.824 -4.026 1.00 25.00 H new ATOM 0 HE2 MET A 50 3.230 7.094 -5.263 1.00 25.00 H new ATOM 0 HE3 MET A 50 3.823 5.449 -5.595 1.00 25.00 H new