USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 474 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 19 HIS :FLIP no HE2:sc= 0.106 F(o=-1.8,f=0.33) USER MOD Set 1.2: A 21 SER OG : rot -114:sc= 0.224 USER MOD Set 2.1: A 1 GLU N :NH3+ 163:sc= -0.57 (180deg=-1.72!) USER MOD Set 2.2: A 17 TYR OH : rot 63:sc= 0.637 USER MOD Set 3.1: A 11 SER OG : rot -73:sc= -3.76 USER MOD Set 3.2: A 12 SER OG : rot 180:sc=-0.00482 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.6) USER MOD Single : A 6 HIS : no HE2:sc= -0.218 K(o=-0.22,f=-0.73) USER MOD Single : A 8 TYR OH : rot 50:sc= -5.58! USER MOD Single : A 14 TYR OH : rot 180:sc= -0.316 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.5 K(o=-1.5,f=-4.9!) USER MOD Single : A 18 HIS :FLIP no HE2:sc= -0.321 F(o=-2.1,f=-0.32) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-4.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.23! C(o=-3.2!,f=-2.7!) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 32 ASN : amide:sc= -6.27! C(o=-6.3!,f=-7.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -4.65! C(o=-4.7!,f=-7.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 41 GLN : amide:sc= -4.03! C(o=-4!,f=-7.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 47:sc= 0.119 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.398 F(o=-0.95,f=-0.4) USER MOD Single : A 56 THR OG1 : rot 25:sc= 0.642 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.734 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.78! C(o=-2.8!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.578 7.576 -0.667 1.00 0.00 N ATOM 2 CA GLU A 1 11.287 7.903 -2.052 1.00 0.00 C ATOM 3 C GLU A 1 11.142 6.624 -2.880 1.00 0.00 C ATOM 4 O GLU A 1 10.041 6.279 -3.309 1.00 0.00 O ATOM 5 CB GLU A 1 12.365 8.816 -2.639 1.00 0.00 C ATOM 6 CG GLU A 1 13.710 8.592 -1.945 1.00 0.00 C ATOM 7 CD GLU A 1 14.866 8.699 -2.941 1.00 0.00 C ATOM 8 OE1 GLU A 1 14.787 9.482 -3.900 1.00 0.00 O ATOM 9 OE2 GLU A 1 15.874 7.934 -2.692 1.00 0.00 O ATOM 0 H1 GLU A 1 11.954 8.417 -0.183 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.706 7.265 -0.193 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.283 6.812 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 1 10.342 8.444 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 1 12.467 8.625 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 1 12.064 9.858 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.840 9.327 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 1 13.721 7.609 -1.474 1.00 0.00 H new ATOM 17 N GLY A 2 12.268 5.956 -3.081 1.00 0.00 N ATOM 18 CA GLY A 2 12.280 4.724 -3.850 1.00 0.00 C ATOM 19 C GLY A 2 11.236 4.765 -4.968 1.00 0.00 C ATOM 20 O GLY A 2 10.947 5.829 -5.513 1.00 0.00 O ATOM 0 H GLY A 2 13.179 6.245 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.270 4.568 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.080 3.878 -3.192 1.00 0.00 H new ATOM 24 N THR A 3 10.700 3.593 -5.277 1.00 0.00 N ATOM 25 CA THR A 3 9.695 3.482 -6.320 1.00 0.00 C ATOM 26 C THR A 3 8.309 3.271 -5.706 1.00 0.00 C ATOM 27 O THR A 3 7.997 2.182 -5.228 1.00 0.00 O ATOM 28 CB THR A 3 10.117 2.356 -7.266 1.00 0.00 C ATOM 29 OG1 THR A 3 11.466 2.671 -7.600 1.00 0.00 O ATOM 30 CG2 THR A 3 9.380 2.408 -8.605 1.00 0.00 C ATOM 0 H THR A 3 10.943 2.712 -4.823 1.00 0.00 H new ATOM 0 HA THR A 3 9.623 4.403 -6.899 1.00 0.00 H new ATOM 0 HB THR A 3 9.933 1.393 -6.788 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.820 1.990 -8.210 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.717 1.587 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.307 2.317 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.590 3.357 -9.099 1.00 0.00 H new ATOM 38 N TRP A 4 7.516 4.332 -5.738 1.00 0.00 N ATOM 39 CA TRP A 4 6.171 4.277 -5.190 1.00 0.00 C ATOM 40 C TRP A 4 5.188 4.169 -6.358 1.00 0.00 C ATOM 41 O TRP A 4 5.348 4.845 -7.373 1.00 0.00 O ATOM 42 CB TRP A 4 5.897 5.482 -4.288 1.00 0.00 C ATOM 43 CG TRP A 4 4.652 5.333 -3.412 1.00 0.00 C ATOM 44 CD1 TRP A 4 4.263 4.262 -2.706 1.00 0.00 C ATOM 45 CD2 TRP A 4 3.642 6.336 -3.175 1.00 0.00 C ATOM 46 NE1 TRP A 4 3.081 4.501 -2.035 1.00 0.00 N ATOM 47 CE2 TRP A 4 2.691 5.803 -2.329 1.00 0.00 C ATOM 48 CE3 TRP A 4 3.535 7.652 -3.660 1.00 0.00 C ATOM 49 CZ2 TRP A 4 1.567 6.513 -1.894 1.00 0.00 C ATOM 50 CZ3 TRP A 4 2.405 8.349 -3.216 1.00 0.00 C ATOM 51 CH2 TRP A 4 1.439 7.826 -2.364 1.00 0.00 C ATOM 0 H TRP A 4 7.779 5.234 -6.135 1.00 0.00 H new ATOM 0 HA TRP A 4 6.050 3.402 -4.552 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.763 5.647 -3.646 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.787 6.371 -4.910 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.806 3.329 -2.667 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.585 3.843 -1.434 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.267 8.090 -4.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.837 6.072 -1.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.275 9.365 -3.560 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.594 8.429 -2.066 1.00 0.00 H new ATOM 62 N GLN A 5 4.193 3.313 -6.175 1.00 0.00 N ATOM 63 CA GLN A 5 3.185 3.108 -7.201 1.00 0.00 C ATOM 64 C GLN A 5 1.819 2.859 -6.560 1.00 0.00 C ATOM 65 O GLN A 5 1.436 1.712 -6.332 1.00 0.00 O ATOM 66 CB GLN A 5 3.574 1.955 -8.129 1.00 0.00 C ATOM 67 CG GLN A 5 4.057 2.480 -9.483 1.00 0.00 C ATOM 68 CD GLN A 5 3.192 3.650 -9.957 1.00 0.00 C ATOM 69 OE1 GLN A 5 2.072 3.484 -10.409 1.00 0.00 O ATOM 70 NE2 GLN A 5 3.774 4.839 -9.829 1.00 0.00 N ATOM 0 H GLN A 5 4.064 2.754 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 5 3.121 4.012 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.360 1.359 -7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.718 1.296 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.096 2.800 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.026 1.678 -10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.715 4.907 -9.442 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.279 5.683 -10.118 1.00 0.00 H new ATOM 79 N HIS A 6 1.120 3.951 -6.288 1.00 0.00 N ATOM 80 CA HIS A 6 -0.196 3.865 -5.677 1.00 0.00 C ATOM 81 C HIS A 6 -1.272 4.010 -6.755 1.00 0.00 C ATOM 82 O HIS A 6 -1.166 4.865 -7.632 1.00 0.00 O ATOM 83 CB HIS A 6 -0.341 4.893 -4.553 1.00 0.00 C ATOM 84 CG HIS A 6 -1.389 5.947 -4.816 1.00 0.00 C ATOM 85 ND1 HIS A 6 -2.610 5.969 -4.165 1.00 0.00 N ATOM 86 CD2 HIS A 6 -1.386 7.015 -5.664 1.00 0.00 C ATOM 87 CE1 HIS A 6 -3.303 7.007 -4.610 1.00 0.00 C ATOM 88 NE2 HIS A 6 -2.543 7.654 -5.539 1.00 0.00 N ATOM 0 H HIS A 6 1.440 4.900 -6.479 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.323 2.886 -5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.588 4.372 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.620 5.382 -4.396 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.923 5.300 -3.462 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.579 7.294 -6.325 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.296 7.291 -4.293 1.00 0.00 H new ATOM 96 N GLY A 7 -2.284 3.160 -6.653 1.00 0.00 N ATOM 97 CA GLY A 7 -3.378 3.182 -7.609 1.00 0.00 C ATOM 98 C GLY A 7 -4.717 2.921 -6.915 1.00 0.00 C ATOM 99 O GLY A 7 -4.813 2.835 -5.693 1.00 0.00 O ATOM 0 H GLY A 7 -2.369 2.452 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.407 4.149 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.209 2.428 -8.378 1.00 0.00 H new ATOM 103 N TYR A 8 -5.762 2.795 -7.735 1.00 0.00 N ATOM 104 CA TYR A 8 -7.099 2.547 -7.235 1.00 0.00 C ATOM 105 C TYR A 8 -7.967 1.970 -8.345 1.00 0.00 C ATOM 106 O TYR A 8 -8.390 2.723 -9.221 1.00 0.00 O ATOM 107 CB TYR A 8 -7.693 3.849 -6.706 1.00 0.00 C ATOM 108 CG TYR A 8 -8.542 3.666 -5.470 1.00 0.00 C ATOM 109 CD1 TYR A 8 -9.356 2.535 -5.342 1.00 0.00 C ATOM 110 CD2 TYR A 8 -8.515 4.629 -4.454 1.00 0.00 C ATOM 111 CE1 TYR A 8 -10.143 2.366 -4.196 1.00 0.00 C ATOM 112 CE2 TYR A 8 -9.303 4.460 -3.309 1.00 0.00 C ATOM 113 CZ TYR A 8 -10.117 3.329 -3.180 1.00 0.00 C ATOM 114 OH TYR A 8 -10.884 3.164 -2.065 1.00 0.00 O ATOM 0 H TYR A 8 -5.699 2.862 -8.751 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.058 1.824 -6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.883 4.543 -6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.298 4.307 -7.488 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.377 1.793 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.887 5.502 -4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.770 1.493 -4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.283 5.203 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.742 2.265 -1.701 1.00 0.00 H new ATOM 124 N GLY A 9 -8.213 0.669 -8.290 1.00 0.00 N ATOM 125 CA GLY A 9 -9.030 0.019 -9.300 1.00 0.00 C ATOM 126 C GLY A 9 -10.519 0.216 -9.011 1.00 0.00 C ATOM 127 O GLY A 9 -11.297 -0.736 -9.060 1.00 0.00 O ATOM 0 H GLY A 9 -7.861 0.048 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.790 0.424 -10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.799 -1.046 -9.329 1.00 0.00 H new ATOM 131 N VAL A 10 -10.873 1.459 -8.716 1.00 0.00 N ATOM 132 CA VAL A 10 -12.255 1.793 -8.419 1.00 0.00 C ATOM 133 C VAL A 10 -12.965 0.559 -7.859 1.00 0.00 C ATOM 134 O VAL A 10 -13.813 -0.030 -8.528 1.00 0.00 O ATOM 135 CB VAL A 10 -12.936 2.360 -9.666 1.00 0.00 C ATOM 136 CG1 VAL A 10 -12.433 1.662 -10.931 1.00 0.00 C ATOM 137 CG2 VAL A 10 -14.459 2.260 -9.553 1.00 0.00 C ATOM 0 H VAL A 10 -10.226 2.247 -8.677 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.304 2.570 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.674 3.416 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.933 2.084 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.357 1.808 -11.024 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.650 0.596 -10.869 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.918 2.670 -10.452 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.748 1.215 -9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.797 2.824 -8.684 1.00 0.00 H new ATOM 147 N SER A 11 -12.592 0.204 -6.638 1.00 0.00 N ATOM 148 CA SER A 11 -13.182 -0.950 -5.981 1.00 0.00 C ATOM 149 C SER A 11 -12.244 -1.466 -4.889 1.00 0.00 C ATOM 150 O SER A 11 -12.694 -1.856 -3.812 1.00 0.00 O ATOM 151 CB SER A 11 -13.487 -2.061 -6.988 1.00 0.00 C ATOM 152 OG SER A 11 -13.085 -3.341 -6.508 1.00 0.00 O ATOM 0 H SER A 11 -11.888 0.695 -6.087 1.00 0.00 H new ATOM 0 HA SER A 11 -14.123 -0.641 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.556 -2.073 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.976 -1.849 -7.927 1.00 0.00 H new ATOM 0 HG SER A 11 -12.108 -3.409 -6.537 1.00 0.00 H new ATOM 158 N SER A 12 -10.957 -1.453 -5.203 1.00 0.00 N ATOM 159 CA SER A 12 -9.952 -1.915 -4.262 1.00 0.00 C ATOM 160 C SER A 12 -8.810 -0.901 -4.175 1.00 0.00 C ATOM 161 O SER A 12 -8.751 0.042 -4.962 1.00 0.00 O ATOM 162 CB SER A 12 -9.412 -3.289 -4.663 1.00 0.00 C ATOM 163 OG SER A 12 -9.816 -3.658 -5.979 1.00 0.00 O ATOM 0 H SER A 12 -10.587 -1.129 -6.097 1.00 0.00 H new ATOM 0 HA SER A 12 -10.420 -2.010 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.323 -3.281 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.763 -4.038 -3.953 1.00 0.00 H new ATOM 0 HG SER A 12 -9.450 -4.540 -6.198 1.00 0.00 H new ATOM 169 N ALA A 13 -7.930 -1.129 -3.210 1.00 0.00 N ATOM 170 CA ALA A 13 -6.793 -0.246 -3.010 1.00 0.00 C ATOM 171 C ALA A 13 -5.515 -1.081 -2.916 1.00 0.00 C ATOM 172 O ALA A 13 -5.417 -2.041 -2.154 1.00 0.00 O ATOM 173 CB ALA A 13 -7.025 0.610 -1.763 1.00 0.00 C ATOM 0 H ALA A 13 -7.982 -1.912 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.681 0.433 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.173 1.272 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.929 1.205 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.139 -0.037 -0.893 1.00 0.00 H new ATOM 179 N TYR A 14 -4.524 -0.689 -3.719 1.00 0.00 N ATOM 180 CA TYR A 14 -3.249 -1.376 -3.750 1.00 0.00 C ATOM 181 C TYR A 14 -2.115 -0.367 -3.641 1.00 0.00 C ATOM 182 O TYR A 14 -2.272 0.757 -4.117 1.00 0.00 O ATOM 183 CB TYR A 14 -3.137 -2.179 -5.042 1.00 0.00 C ATOM 184 CG TYR A 14 -2.807 -1.334 -6.250 1.00 0.00 C ATOM 185 CD1 TYR A 14 -1.518 -0.810 -6.407 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.791 -1.074 -7.212 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.213 -0.028 -7.527 1.00 0.00 C ATOM 188 CE2 TYR A 14 -3.485 -0.291 -8.332 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.196 0.232 -8.489 1.00 0.00 C ATOM 190 OH TYR A 14 -1.898 0.995 -9.580 1.00 0.00 O ATOM 0 H TYR A 14 -4.589 0.105 -4.356 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.180 -2.061 -2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.368 -2.942 -4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.078 -2.700 -5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.760 -1.009 -5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.785 -1.477 -7.090 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.219 0.375 -7.649 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.243 -0.091 -9.074 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.692 1.077 -10.149 1.00 0.00 H new ATOM 200 N SER A 15 -1.013 -0.775 -3.029 1.00 0.00 N ATOM 201 CA SER A 15 0.128 0.110 -2.872 1.00 0.00 C ATOM 202 C SER A 15 1.426 -0.699 -2.899 1.00 0.00 C ATOM 203 O SER A 15 1.657 -1.538 -2.029 1.00 0.00 O ATOM 204 CB SER A 15 0.029 0.912 -1.573 1.00 0.00 C ATOM 205 OG SER A 15 0.395 2.276 -1.758 1.00 0.00 O ATOM 0 H SER A 15 -0.886 -1.708 -2.636 1.00 0.00 H new ATOM 0 HA SER A 15 0.130 0.815 -3.703 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.991 0.859 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.675 0.462 -0.819 1.00 0.00 H new ATOM 0 HG SER A 15 0.317 2.754 -0.906 1.00 0.00 H new ATOM 211 N ASN A 16 2.240 -0.420 -3.906 1.00 0.00 N ATOM 212 CA ASN A 16 3.508 -1.112 -4.058 1.00 0.00 C ATOM 213 C ASN A 16 4.653 -0.107 -3.917 1.00 0.00 C ATOM 214 O ASN A 16 4.729 0.899 -4.619 1.00 0.00 O ATOM 215 CB ASN A 16 3.619 -1.764 -5.437 1.00 0.00 C ATOM 216 CG ASN A 16 2.316 -2.472 -5.815 1.00 0.00 C ATOM 217 OD1 ASN A 16 1.548 -2.905 -4.972 1.00 0.00 O ATOM 218 ND2 ASN A 16 2.113 -2.566 -7.126 1.00 0.00 N ATOM 0 H ASN A 16 2.046 0.277 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 16 3.565 -1.883 -3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.855 -1.006 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.440 -2.481 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.273 -3.023 -7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.798 -2.181 -7.777 1.00 0.00 H new ATOM 225 N TYR A 17 5.555 -0.406 -2.979 1.00 0.00 N ATOM 226 CA TYR A 17 6.698 0.446 -2.721 1.00 0.00 C ATOM 227 C TYR A 17 7.966 -0.394 -2.667 1.00 0.00 C ATOM 228 O TYR A 17 7.995 -1.381 -1.933 1.00 0.00 O ATOM 229 CB TYR A 17 6.488 1.192 -1.407 1.00 0.00 C ATOM 230 CG TYR A 17 7.052 2.593 -1.412 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.328 2.832 -1.936 1.00 0.00 C ATOM 232 CD2 TYR A 17 6.298 3.653 -0.892 1.00 0.00 C ATOM 233 CE1 TYR A 17 8.850 4.131 -1.941 1.00 0.00 C ATOM 234 CE2 TYR A 17 6.821 4.952 -0.898 1.00 0.00 C ATOM 235 CZ TYR A 17 8.097 5.190 -1.422 1.00 0.00 C ATOM 236 OH TYR A 17 8.606 6.456 -1.427 1.00 0.00 O ATOM 0 H TYR A 17 5.508 -1.236 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 17 6.803 1.174 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.420 1.240 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.951 0.626 -0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.909 2.015 -2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.314 3.468 -0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.834 4.316 -2.346 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.240 5.770 -0.498 1.00 0.00 H new ATOM 0 HH TYR A 17 8.752 6.746 -2.352 1.00 0.00 H new ATOM 246 N HIS A 18 8.974 0.004 -3.430 1.00 0.00 N ATOM 247 CA HIS A 18 10.229 -0.728 -3.453 1.00 0.00 C ATOM 248 C HIS A 18 11.308 0.081 -2.729 1.00 0.00 C ATOM 249 O HIS A 18 11.197 1.300 -2.607 1.00 0.00 O ATOM 250 CB HIS A 18 10.622 -1.089 -4.887 1.00 0.00 C ATOM 251 CG HIS A 18 11.925 -1.845 -4.995 1.00 0.00 C ATOM 252 ND1 HIS A 18 12.188 -3.181 -4.924 1.00 0.00 N flip ATOM 253 CD2 HIS A 18 13.141 -1.217 -5.200 1.00 0.00 C flip ATOM 254 CE1 HIS A 18 13.494 -3.360 -5.078 1.00 0.00 C flip ATOM 255 NE2 HIS A 18 14.087 -2.144 -5.249 1.00 0.00 N flip ATOM 0 H HIS A 18 8.947 0.824 -4.037 1.00 0.00 H new ATOM 0 HA HIS A 18 10.113 -1.672 -2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.828 -1.689 -5.330 1.00 0.00 H new ATOM 0 HB3 HIS A 18 10.695 -0.174 -5.474 1.00 0.00 H new ATOM 0 HD1 HIS A 18 11.498 -3.918 -4.777 1.00 0.00 H new ATOM 0 HD2 HIS A 18 13.293 -0.153 -5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 18 14.003 -4.312 -5.069 1.00 0.00 H new ATOM 263 N HIS A 19 12.326 -0.630 -2.268 1.00 0.00 N ATOM 264 CA HIS A 19 13.423 0.006 -1.559 1.00 0.00 C ATOM 265 C HIS A 19 14.593 -0.973 -1.438 1.00 0.00 C ATOM 266 O HIS A 19 14.389 -2.162 -1.198 1.00 0.00 O ATOM 267 CB HIS A 19 12.956 0.542 -0.204 1.00 0.00 C ATOM 268 CG HIS A 19 13.476 1.922 0.123 1.00 0.00 C ATOM 269 ND1 HIS A 19 12.876 3.144 0.037 1.00 0.00 N flip ATOM 270 CD2 HIS A 19 14.756 2.148 0.598 1.00 0.00 C flip ATOM 271 CE1 HIS A 19 13.742 4.066 0.439 1.00 0.00 C flip ATOM 272 NE2 HIS A 19 14.909 3.450 0.787 1.00 0.00 N flip ATOM 0 H HIS A 19 12.414 -1.641 -2.372 1.00 0.00 H new ATOM 0 HA HIS A 19 13.774 0.869 -2.125 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.866 0.563 -0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.273 -0.149 0.577 1.00 0.00 H new ATOM 0 HD1 HIS A 19 11.923 3.319 -0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 19 15.504 1.391 0.783 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.554 5.129 0.483 1.00 0.00 H new ATOM 280 N GLY A 20 15.792 -0.436 -1.610 1.00 0.00 N ATOM 281 CA GLY A 20 16.994 -1.248 -1.523 1.00 0.00 C ATOM 282 C GLY A 20 18.092 -0.520 -0.745 1.00 0.00 C ATOM 283 O GLY A 20 19.253 -0.523 -1.153 1.00 0.00 O ATOM 0 H GLY A 20 15.957 0.551 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.763 -2.194 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.350 -1.486 -2.525 1.00 0.00 H new ATOM 287 N SER A 21 17.687 0.087 0.361 1.00 0.00 N ATOM 288 CA SER A 21 18.622 0.817 1.199 1.00 0.00 C ATOM 289 C SER A 21 18.309 0.564 2.676 1.00 0.00 C ATOM 290 O SER A 21 19.211 0.292 3.467 1.00 0.00 O ATOM 291 CB SER A 21 18.577 2.316 0.898 1.00 0.00 C ATOM 292 OG SER A 21 17.652 3.003 1.737 1.00 0.00 O ATOM 0 H SER A 21 16.724 0.088 0.696 1.00 0.00 H new ATOM 0 HA SER A 21 19.628 0.459 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 21 19.572 2.742 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 21 18.301 2.468 -0.146 1.00 0.00 H new ATOM 0 HG SER A 21 16.916 3.354 1.194 1.00 0.00 H new ATOM 298 N LYS A 22 17.029 0.661 3.002 1.00 0.00 N ATOM 299 CA LYS A 22 16.586 0.446 4.369 1.00 0.00 C ATOM 300 C LYS A 22 15.192 -0.184 4.356 1.00 0.00 C ATOM 301 O LYS A 22 14.448 -0.034 3.388 1.00 0.00 O ATOM 302 CB LYS A 22 16.665 1.748 5.169 1.00 0.00 C ATOM 303 CG LYS A 22 15.865 2.860 4.487 1.00 0.00 C ATOM 304 CD LYS A 22 15.352 3.873 5.512 1.00 0.00 C ATOM 305 CE LYS A 22 15.238 5.268 4.894 1.00 0.00 C ATOM 306 NZ LYS A 22 14.856 6.261 5.922 1.00 0.00 N ATOM 0 H LYS A 22 16.284 0.886 2.343 1.00 0.00 H new ATOM 0 HA LYS A 22 17.248 -0.255 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.281 1.584 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.706 2.054 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.492 3.366 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.024 2.428 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.378 3.556 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.027 3.904 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.189 5.551 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.496 5.259 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.783 7.202 5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.938 5.998 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.578 6.281 6.670 1.00 0.00 H new ATOM 319 N THR A 23 14.880 -0.876 5.442 1.00 0.00 N ATOM 320 CA THR A 23 13.589 -1.530 5.568 1.00 0.00 C ATOM 321 C THR A 23 12.471 -0.599 5.093 1.00 0.00 C ATOM 322 O THR A 23 12.627 0.621 5.107 1.00 0.00 O ATOM 323 CB THR A 23 13.427 -1.982 7.020 1.00 0.00 C ATOM 324 OG1 THR A 23 14.430 -2.980 7.187 1.00 0.00 O ATOM 325 CG2 THR A 23 12.114 -2.730 7.258 1.00 0.00 C ATOM 0 H THR A 23 15.500 -0.998 6.243 1.00 0.00 H new ATOM 0 HA THR A 23 13.529 -2.412 4.930 1.00 0.00 H new ATOM 0 HB THR A 23 13.474 -1.114 7.677 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.397 -3.327 8.103 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.050 -3.028 8.304 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.275 -2.079 7.014 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.081 -3.617 6.625 1.00 0.00 H new ATOM 333 N HIS A 24 11.369 -1.210 4.685 1.00 0.00 N ATOM 334 CA HIS A 24 10.226 -0.451 4.207 1.00 0.00 C ATOM 335 C HIS A 24 8.944 -1.253 4.439 1.00 0.00 C ATOM 336 O HIS A 24 8.983 -2.479 4.536 1.00 0.00 O ATOM 337 CB HIS A 24 10.415 -0.046 2.744 1.00 0.00 C ATOM 338 CG HIS A 24 10.607 -1.213 1.804 1.00 0.00 C ATOM 339 ND1 HIS A 24 11.719 -2.036 1.848 1.00 0.00 N ATOM 340 CD2 HIS A 24 9.818 -1.685 0.798 1.00 0.00 C ATOM 341 CE1 HIS A 24 11.594 -2.958 0.905 1.00 0.00 C ATOM 342 NE2 HIS A 24 10.415 -2.739 0.255 1.00 0.00 N ATOM 0 H HIS A 24 11.243 -2.222 4.675 1.00 0.00 H new ATOM 0 HA HIS A 24 10.140 0.477 4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.546 0.528 2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 24 11.279 0.614 2.669 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.868 -1.271 0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 24 12.301 -3.745 0.689 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.052 -3.294 -0.520 1.00 0.00 H new ATOM 351 N SER A 25 7.837 -0.529 4.522 1.00 0.00 N ATOM 352 CA SER A 25 6.546 -1.158 4.741 1.00 0.00 C ATOM 353 C SER A 25 5.445 -0.344 4.059 1.00 0.00 C ATOM 354 O SER A 25 5.456 0.885 4.108 1.00 0.00 O ATOM 355 CB SER A 25 6.250 -1.302 6.236 1.00 0.00 C ATOM 356 OG SER A 25 5.871 -0.063 6.827 1.00 0.00 O ATOM 0 H SER A 25 7.808 0.487 4.441 1.00 0.00 H new ATOM 0 HA SER A 25 6.574 -2.157 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.452 -2.031 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.132 -1.691 6.744 1.00 0.00 H new ATOM 0 HG SER A 25 5.689 -0.197 7.781 1.00 0.00 H new ATOM 362 N ALA A 26 4.521 -1.062 3.438 1.00 0.00 N ATOM 363 CA ALA A 26 3.415 -0.422 2.746 1.00 0.00 C ATOM 364 C ALA A 26 2.102 -0.797 3.435 1.00 0.00 C ATOM 365 O ALA A 26 1.741 -1.972 3.493 1.00 0.00 O ATOM 366 CB ALA A 26 3.435 -0.824 1.270 1.00 0.00 C ATOM 0 H ALA A 26 4.515 -2.081 3.400 1.00 0.00 H new ATOM 0 HA ALA A 26 3.511 0.663 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.605 -0.344 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.376 -0.508 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.338 -1.906 1.186 1.00 0.00 H new ATOM 372 N THR A 27 1.423 0.223 3.940 1.00 0.00 N ATOM 373 CA THR A 27 0.158 0.014 4.623 1.00 0.00 C ATOM 374 C THR A 27 -0.977 0.708 3.867 1.00 0.00 C ATOM 375 O THR A 27 -0.840 1.858 3.453 1.00 0.00 O ATOM 376 CB THR A 27 0.314 0.501 6.065 1.00 0.00 C ATOM 377 OG1 THR A 27 1.599 0.025 6.455 1.00 0.00 O ATOM 378 CG2 THR A 27 -0.650 -0.198 7.026 1.00 0.00 C ATOM 0 H THR A 27 1.725 1.196 3.890 1.00 0.00 H new ATOM 0 HA THR A 27 -0.109 -1.043 4.648 1.00 0.00 H new ATOM 0 HB THR A 27 0.149 1.578 6.105 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.783 0.298 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.498 0.184 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.677 -0.005 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.463 -1.272 7.012 1.00 0.00 H new ATOM 386 N VAL A 28 -2.072 -0.020 3.710 1.00 0.00 N ATOM 387 CA VAL A 28 -3.230 0.510 3.011 1.00 0.00 C ATOM 388 C VAL A 28 -4.502 0.106 3.759 1.00 0.00 C ATOM 389 O VAL A 28 -4.722 -1.075 4.024 1.00 0.00 O ATOM 390 CB VAL A 28 -3.220 0.045 1.553 1.00 0.00 C ATOM 391 CG1 VAL A 28 -3.189 -1.483 1.466 1.00 0.00 C ATOM 392 CG2 VAL A 28 -4.416 0.614 0.788 1.00 0.00 C ATOM 0 H VAL A 28 -2.182 -0.973 4.055 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.198 1.599 2.991 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.312 0.426 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.182 -1.788 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.292 -1.857 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.071 -1.893 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.385 0.268 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.341 0.277 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.376 1.703 0.808 1.00 0.00 H new ATOM 402 N VAL A 29 -5.307 1.109 4.078 1.00 0.00 N ATOM 403 CA VAL A 29 -6.551 0.872 4.790 1.00 0.00 C ATOM 404 C VAL A 29 -7.730 1.207 3.874 1.00 0.00 C ATOM 405 O VAL A 29 -7.708 2.217 3.172 1.00 0.00 O ATOM 406 CB VAL A 29 -6.565 1.668 6.097 1.00 0.00 C ATOM 407 CG1 VAL A 29 -7.872 1.446 6.860 1.00 0.00 C ATOM 408 CG2 VAL A 29 -5.356 1.315 6.966 1.00 0.00 C ATOM 0 H VAL A 29 -5.122 2.087 3.856 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.640 -0.179 5.063 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.500 2.727 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.856 2.023 7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.712 1.769 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.981 0.387 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.390 1.894 7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.377 0.252 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.439 1.547 6.425 1.00 0.00 H new ATOM 418 N ASN A 30 -8.731 0.340 3.911 1.00 0.00 N ATOM 419 CA ASN A 30 -9.916 0.530 3.092 1.00 0.00 C ATOM 420 C ASN A 30 -11.020 1.166 3.940 1.00 0.00 C ATOM 421 O ASN A 30 -11.631 0.498 4.773 1.00 0.00 O ATOM 422 CB ASN A 30 -10.439 -0.806 2.561 1.00 0.00 C ATOM 423 CG ASN A 30 -11.394 -0.592 1.384 1.00 0.00 C ATOM 424 OD1 ASN A 30 -11.463 0.473 0.794 1.00 0.00 O ATOM 425 ND2 ASN A 30 -12.122 -1.662 1.077 1.00 0.00 N ATOM 0 H ASN A 30 -8.746 -0.496 4.495 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.646 1.171 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.602 -1.429 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.953 -1.342 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.788 -1.621 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.014 -2.523 1.613 1.00 0.00 H new ATOM 432 N ASN A 31 -11.241 2.450 3.699 1.00 0.00 N ATOM 433 CA ASN A 31 -12.260 3.184 4.431 1.00 0.00 C ATOM 434 C ASN A 31 -13.581 3.119 3.661 1.00 0.00 C ATOM 435 O ASN A 31 -13.945 4.065 2.965 1.00 0.00 O ATOM 436 CB ASN A 31 -11.874 4.656 4.584 1.00 0.00 C ATOM 437 CG ASN A 31 -12.762 5.350 5.620 1.00 0.00 C ATOM 438 OD1 ASN A 31 -13.573 4.735 6.292 1.00 0.00 O ATOM 439 ND2 ASN A 31 -12.563 6.662 5.710 1.00 0.00 N ATOM 0 H ASN A 31 -10.732 3.001 3.008 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.358 2.732 5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.829 4.732 4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.966 5.162 3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.106 7.216 6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.867 7.114 5.117 1.00 0.00 H new ATOM 446 N ASN A 32 -14.262 1.993 3.813 1.00 0.00 N ATOM 447 CA ASN A 32 -15.535 1.792 3.140 1.00 0.00 C ATOM 448 C ASN A 32 -16.282 0.635 3.807 1.00 0.00 C ATOM 449 O ASN A 32 -17.385 0.817 4.319 1.00 0.00 O ATOM 450 CB ASN A 32 -15.329 1.435 1.667 1.00 0.00 C ATOM 451 CG ASN A 32 -16.556 0.718 1.100 1.00 0.00 C ATOM 452 OD1 ASN A 32 -16.456 -0.254 0.369 1.00 0.00 O ATOM 453 ND2 ASN A 32 -17.715 1.250 1.476 1.00 0.00 N ATOM 0 H ASN A 32 -13.957 1.210 4.392 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.104 2.719 3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.135 2.341 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.451 0.798 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.592 0.844 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.727 2.064 2.090 1.00 0.00 H new ATOM 460 N THR A 33 -15.650 -0.530 3.779 1.00 0.00 N ATOM 461 CA THR A 33 -16.242 -1.716 4.375 1.00 0.00 C ATOM 462 C THR A 33 -15.512 -2.084 5.668 1.00 0.00 C ATOM 463 O THR A 33 -16.015 -2.873 6.466 1.00 0.00 O ATOM 464 CB THR A 33 -16.221 -2.831 3.327 1.00 0.00 C ATOM 465 OG1 THR A 33 -14.844 -3.177 3.215 1.00 0.00 O ATOM 466 CG2 THR A 33 -16.593 -2.328 1.930 1.00 0.00 C ATOM 0 H THR A 33 -14.735 -0.678 3.353 1.00 0.00 H new ATOM 0 HA THR A 33 -17.278 -1.539 4.663 1.00 0.00 H new ATOM 0 HB THR A 33 -16.910 -3.621 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.740 -3.895 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.563 -3.158 1.224 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.598 -1.906 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.884 -1.561 1.619 1.00 0.00 H new ATOM 474 N GLY A 34 -14.336 -1.496 5.834 1.00 0.00 N ATOM 475 CA GLY A 34 -13.532 -1.752 7.017 1.00 0.00 C ATOM 476 C GLY A 34 -12.436 -2.778 6.722 1.00 0.00 C ATOM 477 O GLY A 34 -12.386 -3.836 7.349 1.00 0.00 O ATOM 0 H GLY A 34 -13.921 -0.843 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.081 -0.822 7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.169 -2.116 7.823 1.00 0.00 H new ATOM 481 N ARG A 35 -11.585 -2.430 5.769 1.00 0.00 N ATOM 482 CA ARG A 35 -10.493 -3.308 5.383 1.00 0.00 C ATOM 483 C ARG A 35 -9.148 -2.668 5.734 1.00 0.00 C ATOM 484 O ARG A 35 -9.067 -1.458 5.937 1.00 0.00 O ATOM 485 CB ARG A 35 -10.531 -3.609 3.883 1.00 0.00 C ATOM 486 CG ARG A 35 -10.435 -5.113 3.623 1.00 0.00 C ATOM 487 CD ARG A 35 -11.826 -5.738 3.495 1.00 0.00 C ATOM 488 NE ARG A 35 -12.115 -6.577 4.679 1.00 0.00 N ATOM 489 CZ ARG A 35 -13.220 -7.341 4.814 1.00 0.00 C ATOM 490 NH1 ARG A 35 -14.151 -7.377 3.837 1.00 0.00 N ATOM 491 NH2 ARG A 35 -13.376 -8.051 5.916 1.00 0.00 N ATOM 0 H ARG A 35 -11.629 -1.552 5.252 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.609 -4.242 5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.455 -3.220 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.708 -3.097 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.867 -5.292 2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.891 -5.592 4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.578 -4.955 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.880 -6.342 2.589 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.437 -6.578 5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.022 -6.825 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.983 -7.957 3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.668 -8.017 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.205 -8.634 6.034 1.00 0.00 H new ATOM 504 N GLN A 36 -8.126 -3.509 5.794 1.00 0.00 N ATOM 505 CA GLN A 36 -6.789 -3.041 6.117 1.00 0.00 C ATOM 506 C GLN A 36 -5.753 -4.111 5.767 1.00 0.00 C ATOM 507 O GLN A 36 -5.989 -5.300 5.977 1.00 0.00 O ATOM 508 CB GLN A 36 -6.689 -2.641 7.590 1.00 0.00 C ATOM 509 CG GLN A 36 -6.208 -3.815 8.445 1.00 0.00 C ATOM 510 CD GLN A 36 -4.690 -3.980 8.346 1.00 0.00 C ATOM 511 OE1 GLN A 36 -4.001 -3.228 7.676 1.00 0.00 O ATOM 512 NE2 GLN A 36 -4.210 -5.003 9.047 1.00 0.00 N ATOM 0 H GLN A 36 -8.197 -4.512 5.624 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.581 -2.153 5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.001 -1.802 7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.662 -2.302 7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.493 -3.653 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.699 -4.732 8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.843 -5.593 9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.209 -5.197 9.045 1.00 0.00 H new ATOM 521 N GLY A 37 -4.628 -3.650 5.241 1.00 0.00 N ATOM 522 CA GLY A 37 -3.555 -4.553 4.860 1.00 0.00 C ATOM 523 C GLY A 37 -2.188 -3.899 5.069 1.00 0.00 C ATOM 524 O GLY A 37 -2.105 -2.716 5.396 1.00 0.00 O ATOM 0 H GLY A 37 -4.436 -2.663 5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.618 -5.468 5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.669 -4.839 3.814 1.00 0.00 H new ATOM 528 N LYS A 38 -1.149 -4.697 4.871 1.00 0.00 N ATOM 529 CA LYS A 38 0.210 -4.211 5.033 1.00 0.00 C ATOM 530 C LYS A 38 1.193 -5.315 4.639 1.00 0.00 C ATOM 531 O LYS A 38 0.963 -6.488 4.929 1.00 0.00 O ATOM 532 CB LYS A 38 0.422 -3.677 6.451 1.00 0.00 C ATOM 533 CG LYS A 38 0.641 -4.822 7.442 1.00 0.00 C ATOM 534 CD LYS A 38 1.187 -4.300 8.772 1.00 0.00 C ATOM 535 CE LYS A 38 1.540 -5.455 9.711 1.00 0.00 C ATOM 536 NZ LYS A 38 1.322 -5.061 11.121 1.00 0.00 N ATOM 0 H LYS A 38 -1.222 -5.678 4.600 1.00 0.00 H new ATOM 0 HA LYS A 38 0.394 -3.367 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.283 -3.008 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.444 -3.089 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.300 -5.346 7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.337 -5.546 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.072 -3.690 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.446 -3.655 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.929 -6.326 9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.580 -5.745 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.566 -5.856 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.923 -4.244 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.323 -4.806 11.260 1.00 0.00 H new ATOM 549 N ASP A 39 2.268 -4.901 3.984 1.00 0.00 N ATOM 550 CA ASP A 39 3.286 -5.840 3.547 1.00 0.00 C ATOM 551 C ASP A 39 4.664 -5.323 3.966 1.00 0.00 C ATOM 552 O ASP A 39 5.371 -4.713 3.166 1.00 0.00 O ATOM 553 CB ASP A 39 3.280 -5.990 2.024 1.00 0.00 C ATOM 554 CG ASP A 39 2.114 -6.803 1.459 1.00 0.00 C ATOM 555 OD1 ASP A 39 2.314 -7.776 0.717 1.00 0.00 O ATOM 556 OD2 ASP A 39 0.943 -6.395 1.814 1.00 0.00 O ATOM 0 H ASP A 39 2.456 -3.927 3.746 1.00 0.00 H new ATOM 0 HA ASP A 39 3.073 -6.806 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.261 -4.996 1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.214 -6.460 1.717 1.00 0.00 H new ATOM 562 N THR A 40 5.004 -5.588 5.219 1.00 0.00 N ATOM 563 CA THR A 40 6.284 -5.157 5.754 1.00 0.00 C ATOM 564 C THR A 40 7.402 -6.087 5.277 1.00 0.00 C ATOM 565 O THR A 40 7.251 -7.307 5.301 1.00 0.00 O ATOM 566 CB THR A 40 6.161 -5.086 7.277 1.00 0.00 C ATOM 567 OG1 THR A 40 5.104 -4.156 7.497 1.00 0.00 O ATOM 568 CG2 THR A 40 7.377 -4.430 7.933 1.00 0.00 C ATOM 0 H THR A 40 4.415 -6.096 5.879 1.00 0.00 H new ATOM 0 HA THR A 40 6.551 -4.165 5.389 1.00 0.00 H new ATOM 0 HB THR A 40 6.031 -6.091 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.956 -4.051 8.460 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.238 -4.405 9.014 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.273 -5.004 7.695 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.488 -3.413 7.558 1.00 0.00 H new ATOM 576 N GLN A 41 8.498 -5.474 4.854 1.00 0.00 N ATOM 577 CA GLN A 41 9.640 -6.232 4.372 1.00 0.00 C ATOM 578 C GLN A 41 10.941 -5.494 4.695 1.00 0.00 C ATOM 579 O GLN A 41 10.914 -4.356 5.162 1.00 0.00 O ATOM 580 CB GLN A 41 9.523 -6.505 2.871 1.00 0.00 C ATOM 581 CG GLN A 41 8.166 -7.123 2.530 1.00 0.00 C ATOM 582 CD GLN A 41 8.028 -8.517 3.144 1.00 0.00 C ATOM 583 OE1 GLN A 41 8.850 -8.962 3.928 1.00 0.00 O ATOM 584 NE2 GLN A 41 6.946 -9.180 2.746 1.00 0.00 N ATOM 0 H GLN A 41 8.619 -4.461 4.835 1.00 0.00 H new ATOM 0 HA GLN A 41 9.654 -7.195 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.652 -5.575 2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.322 -7.177 2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.367 -6.479 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.053 -7.186 1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.298 -8.749 2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.765 -10.119 3.100 1.00 0.00 H new ATOM 593 N ARG A 42 12.049 -6.173 4.435 1.00 0.00 N ATOM 594 CA ARG A 42 13.358 -5.596 4.693 1.00 0.00 C ATOM 595 C ARG A 42 13.870 -4.866 3.450 1.00 0.00 C ATOM 596 O ARG A 42 13.126 -4.669 2.490 1.00 0.00 O ATOM 597 CB ARG A 42 14.365 -6.675 5.094 1.00 0.00 C ATOM 598 CG ARG A 42 14.778 -7.517 3.885 1.00 0.00 C ATOM 599 CD ARG A 42 14.527 -9.005 4.141 1.00 0.00 C ATOM 600 NE ARG A 42 15.737 -9.630 4.720 1.00 0.00 N ATOM 601 CZ ARG A 42 15.792 -10.902 5.168 1.00 0.00 C ATOM 602 NH1 ARG A 42 14.703 -11.697 5.106 1.00 0.00 N ATOM 603 NH2 ARG A 42 16.926 -11.357 5.666 1.00 0.00 N ATOM 0 H ARG A 42 12.067 -7.117 4.049 1.00 0.00 H new ATOM 0 HA ARG A 42 13.253 -4.889 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.246 -6.209 5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.929 -7.319 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.219 -7.196 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.834 -7.355 3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.683 -9.128 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.261 -9.503 3.209 1.00 0.00 H new ATOM 0 HE ARG A 42 16.583 -9.064 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.831 -11.338 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.752 -12.657 5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.744 -10.750 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 42 16.984 -12.316 6.009 1.00 0.00 H new ATOM 616 N ALA A 43 15.138 -4.485 3.507 1.00 0.00 N ATOM 617 CA ALA A 43 15.759 -3.781 2.398 1.00 0.00 C ATOM 618 C ALA A 43 15.920 -4.740 1.217 1.00 0.00 C ATOM 619 O ALA A 43 16.417 -5.853 1.380 1.00 0.00 O ATOM 620 CB ALA A 43 17.094 -3.187 2.853 1.00 0.00 C ATOM 0 H ALA A 43 15.752 -4.651 4.304 1.00 0.00 H new ATOM 0 HA ALA A 43 15.130 -2.954 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.560 -2.659 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.922 -2.491 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.753 -3.988 3.189 1.00 0.00 H new ATOM 626 N GLY A 44 15.490 -4.273 0.054 1.00 0.00 N ATOM 627 CA GLY A 44 15.580 -5.075 -1.154 1.00 0.00 C ATOM 628 C GLY A 44 14.385 -6.023 -1.273 1.00 0.00 C ATOM 629 O GLY A 44 14.513 -7.222 -1.031 1.00 0.00 O ATOM 0 H GLY A 44 15.078 -3.349 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.619 -4.422 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.506 -5.650 -1.145 1.00 0.00 H new ATOM 633 N VAL A 45 13.250 -5.450 -1.646 1.00 0.00 N ATOM 634 CA VAL A 45 12.033 -6.229 -1.799 1.00 0.00 C ATOM 635 C VAL A 45 10.903 -5.313 -2.275 1.00 0.00 C ATOM 636 O VAL A 45 11.007 -4.091 -2.177 1.00 0.00 O ATOM 637 CB VAL A 45 11.706 -6.952 -0.491 1.00 0.00 C ATOM 638 CG1 VAL A 45 10.889 -6.055 0.441 1.00 0.00 C ATOM 639 CG2 VAL A 45 10.978 -8.270 -0.760 1.00 0.00 C ATOM 0 H VAL A 45 13.148 -4.455 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 45 12.167 -7.001 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 45 12.647 -7.185 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.670 -6.593 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.459 -5.155 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.955 -5.777 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.757 -8.764 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.047 -8.070 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.610 -8.917 -1.368 1.00 0.00 H new ATOM 649 N TRP A 46 9.850 -5.939 -2.780 1.00 0.00 N ATOM 650 CA TRP A 46 8.703 -5.196 -3.272 1.00 0.00 C ATOM 651 C TRP A 46 7.550 -5.401 -2.287 1.00 0.00 C ATOM 652 O TRP A 46 7.053 -6.515 -2.130 1.00 0.00 O ATOM 653 CB TRP A 46 8.350 -5.614 -4.700 1.00 0.00 C ATOM 654 CG TRP A 46 9.013 -4.758 -5.781 1.00 0.00 C ATOM 655 CD1 TRP A 46 10.134 -5.018 -6.468 1.00 0.00 C ATOM 656 CD2 TRP A 46 8.547 -3.485 -6.275 1.00 0.00 C ATOM 657 NE1 TRP A 46 10.424 -4.010 -7.364 1.00 0.00 N ATOM 658 CE2 TRP A 46 9.428 -3.048 -7.243 1.00 0.00 C ATOM 659 CE3 TRP A 46 7.419 -2.727 -5.916 1.00 0.00 C ATOM 660 CZ2 TRP A 46 9.273 -1.839 -7.932 1.00 0.00 C ATOM 661 CZ3 TRP A 46 7.277 -1.521 -6.613 1.00 0.00 C ATOM 662 CH2 TRP A 46 8.155 -1.067 -7.590 1.00 0.00 C ATOM 0 H TRP A 46 9.767 -6.953 -2.859 1.00 0.00 H new ATOM 0 HA TRP A 46 8.929 -4.131 -3.328 1.00 0.00 H new ATOM 0 HB2 TRP A 46 8.641 -6.654 -4.846 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.268 -5.565 -4.825 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.735 -5.906 -6.337 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.222 -3.977 -7.998 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.717 -3.050 -5.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.977 -1.519 -8.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.426 -0.900 -6.375 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.976 -0.123 -8.083 1.00 0.00 H new ATOM 673 N ALA A 47 7.158 -4.308 -1.649 1.00 0.00 N ATOM 674 CA ALA A 47 6.073 -4.353 -0.683 1.00 0.00 C ATOM 675 C ALA A 47 4.764 -3.966 -1.375 1.00 0.00 C ATOM 676 O ALA A 47 4.510 -2.787 -1.614 1.00 0.00 O ATOM 677 CB ALA A 47 6.402 -3.438 0.498 1.00 0.00 C ATOM 0 H ALA A 47 7.572 -3.386 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 47 5.951 -5.362 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.588 -3.472 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.324 -3.774 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.528 -2.416 0.142 1.00 0.00 H new ATOM 683 N LYS A 48 3.969 -4.982 -1.676 1.00 0.00 N ATOM 684 CA LYS A 48 2.692 -4.763 -2.335 1.00 0.00 C ATOM 685 C LYS A 48 1.558 -5.130 -1.376 1.00 0.00 C ATOM 686 O LYS A 48 1.437 -6.283 -0.965 1.00 0.00 O ATOM 687 CB LYS A 48 2.641 -5.516 -3.666 1.00 0.00 C ATOM 688 CG LYS A 48 4.030 -5.601 -4.302 1.00 0.00 C ATOM 689 CD LYS A 48 3.955 -5.377 -5.814 1.00 0.00 C ATOM 690 CE LYS A 48 4.326 -6.651 -6.576 1.00 0.00 C ATOM 691 NZ LYS A 48 3.107 -7.343 -7.053 1.00 0.00 N ATOM 0 H LYS A 48 4.184 -5.959 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 48 2.568 -3.710 -2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.249 -6.520 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.956 -5.012 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.686 -4.856 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.469 -6.577 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.948 -5.065 -6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.629 -4.569 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.965 -6.402 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.899 -7.315 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.376 -8.205 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.511 -7.597 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.576 -6.713 -7.687 1.00 0.00 H new ATOM 704 N ALA A 49 0.755 -4.128 -1.049 1.00 0.00 N ATOM 705 CA ALA A 49 -0.365 -4.331 -0.146 1.00 0.00 C ATOM 706 C ALA A 49 -1.674 -4.202 -0.927 1.00 0.00 C ATOM 707 O ALA A 49 -1.724 -3.525 -1.953 1.00 0.00 O ATOM 708 CB ALA A 49 -0.275 -3.335 1.011 1.00 0.00 C ATOM 0 H ALA A 49 0.858 -3.173 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.335 -5.332 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.115 -3.487 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.659 -3.488 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.305 -2.318 0.619 1.00 0.00 H new ATOM 714 N THR A 50 -2.701 -4.861 -0.412 1.00 0.00 N ATOM 715 CA THR A 50 -4.007 -4.829 -1.049 1.00 0.00 C ATOM 716 C THR A 50 -5.114 -4.970 -0.002 1.00 0.00 C ATOM 717 O THR A 50 -4.932 -5.641 1.012 1.00 0.00 O ATOM 718 CB THR A 50 -4.038 -5.922 -2.119 1.00 0.00 C ATOM 719 OG1 THR A 50 -3.897 -5.211 -3.346 1.00 0.00 O ATOM 720 CG2 THR A 50 -5.410 -6.591 -2.231 1.00 0.00 C ATOM 0 H THR A 50 -2.656 -5.421 0.440 1.00 0.00 H new ATOM 0 HA THR A 50 -4.186 -3.871 -1.538 1.00 0.00 H new ATOM 0 HB THR A 50 -3.284 -6.675 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.166 -4.563 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.378 -7.359 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.671 -7.048 -1.276 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.159 -5.844 -2.492 1.00 0.00 H new ATOM 728 N VAL A 51 -6.237 -4.327 -0.285 1.00 0.00 N ATOM 729 CA VAL A 51 -7.374 -4.373 0.619 1.00 0.00 C ATOM 730 C VAL A 51 -8.591 -3.750 -0.068 1.00 0.00 C ATOM 731 O VAL A 51 -8.459 -2.781 -0.813 1.00 0.00 O ATOM 732 CB VAL A 51 -7.018 -3.690 1.941 1.00 0.00 C ATOM 733 CG1 VAL A 51 -6.553 -4.713 2.979 1.00 0.00 C ATOM 734 CG2 VAL A 51 -5.962 -2.603 1.730 1.00 0.00 C ATOM 0 H VAL A 51 -6.384 -3.771 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.630 -5.405 0.860 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.919 -3.211 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.306 -4.201 3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.350 -5.434 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.671 -5.234 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.727 -2.134 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.059 -3.049 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.347 -1.851 1.041 1.00 0.00 H new ATOM 744 N GLY A 52 -9.749 -4.332 0.209 1.00 0.00 N ATOM 745 CA GLY A 52 -10.988 -3.847 -0.373 1.00 0.00 C ATOM 746 C GLY A 52 -11.248 -4.498 -1.733 1.00 0.00 C ATOM 747 O GLY A 52 -10.493 -5.369 -2.162 1.00 0.00 O ATOM 0 H GLY A 52 -9.855 -5.135 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.818 -4.060 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.940 -2.764 -0.488 1.00 0.00 H new ATOM 751 N ARG A 53 -12.318 -4.050 -2.373 1.00 0.00 N ATOM 752 CA ARG A 53 -12.687 -4.578 -3.675 1.00 0.00 C ATOM 753 C ARG A 53 -14.209 -4.668 -3.800 1.00 0.00 C ATOM 754 O ARG A 53 -14.825 -5.594 -3.274 1.00 0.00 O ATOM 755 CB ARG A 53 -12.081 -5.966 -3.898 1.00 0.00 C ATOM 756 CG ARG A 53 -12.800 -6.702 -5.031 1.00 0.00 C ATOM 757 CD ARG A 53 -12.543 -6.022 -6.377 1.00 0.00 C ATOM 758 NE ARG A 53 -12.165 -7.031 -7.390 1.00 0.00 N ATOM 759 CZ ARG A 53 -13.048 -7.818 -8.041 1.00 0.00 C ATOM 760 NH1 ARG A 53 -14.370 -7.718 -7.788 1.00 0.00 N ATOM 761 NH2 ARG A 53 -12.599 -8.687 -8.927 1.00 0.00 N ATOM 0 H ARG A 53 -12.941 -3.327 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.297 -3.897 -4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.022 -5.870 -4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.150 -6.549 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.459 -7.737 -5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.871 -6.727 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.436 -5.487 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.749 -5.283 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.175 -7.139 -7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.708 -7.044 -7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.031 -8.316 -8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.598 -8.757 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.253 -9.289 -9.428 1.00 0.00 H new ATOM 774 N ASN A 54 -14.772 -3.693 -4.498 1.00 0.00 N ATOM 775 CA ASN A 54 -16.211 -3.650 -4.698 1.00 0.00 C ATOM 776 C ASN A 54 -16.540 -2.629 -5.789 1.00 0.00 C ATOM 777 O ASN A 54 -16.877 -3.000 -6.911 1.00 0.00 O ATOM 778 CB ASN A 54 -16.932 -3.225 -3.418 1.00 0.00 C ATOM 779 CG ASN A 54 -17.509 -4.437 -2.684 1.00 0.00 C ATOM 780 OD1 ASN A 54 -18.174 -5.279 -3.470 1.00 0.00 O flip ATOM 781 ND2 ASN A 54 -17.359 -4.598 -1.484 1.00 0.00 N flip ATOM 0 H ASN A 54 -14.258 -2.926 -4.932 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.542 -4.649 -4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.238 -2.696 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.734 -2.528 -3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.837 -3.912 -0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.756 -5.418 -1.026 1.00 0.00 H new ATOM 788 N LEU A 55 -16.429 -1.361 -5.419 1.00 0.00 N ATOM 789 CA LEU A 55 -16.711 -0.283 -6.352 1.00 0.00 C ATOM 790 C LEU A 55 -16.965 1.008 -5.571 1.00 0.00 C ATOM 791 O LEU A 55 -17.643 0.993 -4.545 1.00 0.00 O ATOM 792 CB LEU A 55 -17.856 -0.670 -7.289 1.00 0.00 C ATOM 793 CG LEU A 55 -18.621 0.490 -7.929 1.00 0.00 C ATOM 794 CD1 LEU A 55 -18.094 0.786 -9.334 1.00 0.00 C ATOM 795 CD2 LEU A 55 -20.128 0.221 -7.927 1.00 0.00 C ATOM 0 H LEU A 55 -16.148 -1.056 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.851 -0.103 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.452 -1.296 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.564 -1.282 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.452 1.383 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -18.655 1.615 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.039 1.053 -9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.212 -0.098 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.648 1.061 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.336 -0.688 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.474 0.098 -6.901 1.00 0.00 H new ATOM 807 N THR A 56 -16.408 2.094 -6.087 1.00 0.00 N ATOM 808 CA THR A 56 -16.565 3.390 -5.450 1.00 0.00 C ATOM 809 C THR A 56 -16.272 3.288 -3.952 1.00 0.00 C ATOM 810 O THR A 56 -17.105 2.810 -3.184 1.00 0.00 O ATOM 811 CB THR A 56 -17.974 3.901 -5.760 1.00 0.00 C ATOM 812 OG1 THR A 56 -18.833 2.920 -5.185 1.00 0.00 O ATOM 813 CG2 THR A 56 -18.299 3.852 -7.254 1.00 0.00 C ATOM 0 H THR A 56 -15.847 2.103 -6.939 1.00 0.00 H new ATOM 0 HA THR A 56 -15.848 4.112 -5.841 1.00 0.00 H new ATOM 0 HB THR A 56 -18.076 4.925 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.363 2.459 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.310 4.225 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 56 -17.589 4.472 -7.801 1.00 0.00 H new ATOM 0 HG23 THR A 56 -18.230 2.823 -7.608 1.00 0.00 H new ATOM 821 N GLU A 57 -15.085 3.745 -3.581 1.00 0.00 N ATOM 822 CA GLU A 57 -14.671 3.711 -2.189 1.00 0.00 C ATOM 823 C GLU A 57 -13.329 4.426 -2.016 1.00 0.00 C ATOM 824 O GLU A 57 -12.574 4.577 -2.976 1.00 0.00 O ATOM 825 CB GLU A 57 -14.595 2.272 -1.675 1.00 0.00 C ATOM 826 CG GLU A 57 -13.703 1.414 -2.575 1.00 0.00 C ATOM 827 CD GLU A 57 -14.300 0.019 -2.769 1.00 0.00 C ATOM 828 OE1 GLU A 57 -15.147 -0.175 -3.653 1.00 0.00 O ATOM 829 OE2 GLU A 57 -13.854 -0.882 -1.961 1.00 0.00 O ATOM 0 H GLU A 57 -14.396 4.141 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.419 4.236 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.204 2.266 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.596 1.843 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.583 1.900 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.709 1.330 -2.135 1.00 0.00 H new ATOM 837 N LYS A 58 -13.074 4.848 -0.786 1.00 0.00 N ATOM 838 CA LYS A 58 -11.837 5.544 -0.476 1.00 0.00 C ATOM 839 C LYS A 58 -10.835 4.553 0.121 1.00 0.00 C ATOM 840 O LYS A 58 -11.172 3.396 0.366 1.00 0.00 O ATOM 841 CB LYS A 58 -12.113 6.754 0.419 1.00 0.00 C ATOM 842 CG LYS A 58 -12.724 7.903 -0.385 1.00 0.00 C ATOM 843 CD LYS A 58 -11.694 8.512 -1.339 1.00 0.00 C ATOM 844 CE LYS A 58 -12.099 9.929 -1.750 1.00 0.00 C ATOM 845 NZ LYS A 58 -11.344 10.357 -2.948 1.00 0.00 N ATOM 0 H LYS A 58 -13.703 4.721 0.007 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.387 5.945 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.790 6.468 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.185 7.085 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.581 7.539 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.094 8.671 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.716 8.534 -0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.599 7.885 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.169 9.962 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.911 10.620 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.631 11.321 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.325 10.344 -2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.544 9.707 -3.735 1.00 0.00 H new ATOM 858 N ALA A 59 -9.624 5.044 0.338 1.00 0.00 N ATOM 859 CA ALA A 59 -8.571 4.216 0.901 1.00 0.00 C ATOM 860 C ALA A 59 -7.448 5.113 1.426 1.00 0.00 C ATOM 861 O ALA A 59 -7.235 6.211 0.914 1.00 0.00 O ATOM 862 CB ALA A 59 -8.078 3.226 -0.157 1.00 0.00 C ATOM 0 H ALA A 59 -9.348 6.005 0.134 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.950 3.634 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.288 2.605 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.906 2.593 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.689 3.774 -1.015 1.00 0.00 H new ATOM 868 N SER A 60 -6.760 4.613 2.442 1.00 0.00 N ATOM 869 CA SER A 60 -5.665 5.355 3.043 1.00 0.00 C ATOM 870 C SER A 60 -4.341 4.635 2.785 1.00 0.00 C ATOM 871 O SER A 60 -4.142 3.511 3.243 1.00 0.00 O ATOM 872 CB SER A 60 -5.885 5.541 4.545 1.00 0.00 C ATOM 873 OG SER A 60 -7.003 4.794 5.018 1.00 0.00 O ATOM 0 H SER A 60 -6.940 3.702 2.864 1.00 0.00 H new ATOM 0 HA SER A 60 -5.629 6.343 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.989 5.232 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.038 6.598 4.761 1.00 0.00 H new ATOM 0 HG SER A 60 -7.109 4.938 5.982 1.00 0.00 H new ATOM 879 N PHE A 61 -3.468 5.312 2.052 1.00 0.00 N ATOM 880 CA PHE A 61 -2.168 4.750 1.727 1.00 0.00 C ATOM 881 C PHE A 61 -1.072 5.366 2.599 1.00 0.00 C ATOM 882 O PHE A 61 -0.930 6.581 2.709 1.00 0.00 O ATOM 883 CB PHE A 61 -1.888 5.088 0.262 1.00 0.00 C ATOM 884 CG PHE A 61 -3.039 4.747 -0.686 1.00 0.00 C ATOM 885 CD1 PHE A 61 -3.173 3.482 -1.167 1.00 0.00 C ATOM 886 CD2 PHE A 61 -3.929 5.709 -1.049 1.00 0.00 C ATOM 887 CE1 PHE A 61 -4.241 3.165 -2.047 1.00 0.00 C ATOM 888 CE2 PHE A 61 -4.998 5.393 -1.930 1.00 0.00 C ATOM 889 CZ PHE A 61 -5.131 4.128 -2.410 1.00 0.00 C ATOM 0 H PHE A 61 -3.636 6.244 1.674 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.173 3.674 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.667 6.152 0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.995 4.552 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.466 2.718 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.823 6.714 -0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.347 2.160 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.705 6.157 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.943 3.887 -3.080 1.00 0.00 H new ATOM 899 N TYR A 62 -0.288 4.485 3.226 1.00 0.00 N ATOM 900 CA TYR A 62 0.795 4.908 4.090 1.00 0.00 C ATOM 901 C TYR A 62 2.073 4.173 3.712 1.00 0.00 C ATOM 902 O TYR A 62 2.025 3.134 3.058 1.00 0.00 O ATOM 903 CB TYR A 62 0.422 4.632 5.544 1.00 0.00 C ATOM 904 CG TYR A 62 -0.934 5.172 5.931 1.00 0.00 C ATOM 905 CD1 TYR A 62 -1.209 6.537 5.792 1.00 0.00 C ATOM 906 CD2 TYR A 62 -1.917 4.307 6.427 1.00 0.00 C ATOM 907 CE1 TYR A 62 -2.467 7.038 6.152 1.00 0.00 C ATOM 908 CE2 TYR A 62 -3.173 4.807 6.787 1.00 0.00 C ATOM 909 CZ TYR A 62 -3.449 6.173 6.649 1.00 0.00 C ATOM 910 OH TYR A 62 -4.673 6.661 6.999 1.00 0.00 O ATOM 0 H TYR A 62 -0.391 3.473 3.145 1.00 0.00 H new ATOM 0 HA TYR A 62 0.966 5.978 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.439 3.556 5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.178 5.071 6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.452 7.204 5.407 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.705 3.253 6.532 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.679 8.092 6.046 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.930 4.139 7.171 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.237 5.928 7.324 1.00 0.00 H new ATOM 920 N TYR A 63 3.220 4.715 4.128 1.00 0.00 N ATOM 921 CA TYR A 63 4.503 4.110 3.831 1.00 0.00 C ATOM 922 C TYR A 63 5.556 4.632 4.797 1.00 0.00 C ATOM 923 O TYR A 63 5.253 5.532 5.579 1.00 0.00 O ATOM 924 CB TYR A 63 4.889 4.424 2.388 1.00 0.00 C ATOM 925 CG TYR A 63 4.465 5.801 1.937 1.00 0.00 C ATOM 926 CD1 TYR A 63 4.363 6.842 2.867 1.00 0.00 C ATOM 927 CD2 TYR A 63 4.174 6.036 0.588 1.00 0.00 C ATOM 928 CE1 TYR A 63 3.970 8.119 2.448 1.00 0.00 C ATOM 929 CE2 TYR A 63 3.780 7.313 0.169 1.00 0.00 C ATOM 930 CZ TYR A 63 3.678 8.354 1.099 1.00 0.00 C ATOM 931 OH TYR A 63 3.294 9.598 0.691 1.00 0.00 O ATOM 0 H TYR A 63 3.277 5.575 4.673 1.00 0.00 H new ATOM 0 HA TYR A 63 4.436 3.028 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.970 4.332 2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.439 3.680 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.587 6.660 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.253 5.233 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.892 8.923 3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.555 7.494 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 63 3.131 9.589 -0.275 1.00 0.00 H new ATOM 941 N ASN A 64 6.754 4.069 4.730 1.00 0.00 N ATOM 942 CA ASN A 64 7.831 4.494 5.608 1.00 0.00 C ATOM 943 C ASN A 64 9.089 3.680 5.295 1.00 0.00 C ATOM 944 O ASN A 64 9.081 2.840 4.398 1.00 0.00 O ATOM 945 CB ASN A 64 7.469 4.260 7.076 1.00 0.00 C ATOM 946 CG ASN A 64 6.830 5.507 7.689 1.00 0.00 C ATOM 947 OD1 ASN A 64 5.755 5.467 8.264 1.00 0.00 O ATOM 948 ND2 ASN A 64 7.549 6.615 7.534 1.00 0.00 N ATOM 0 H ASN A 64 7.002 3.322 4.081 1.00 0.00 H new ATOM 0 HA ASN A 64 8.001 5.558 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.781 3.418 7.155 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.365 3.993 7.637 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.208 7.501 7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.442 6.579 7.042 1.00 0.00 H new ATOM 955 N PHE A 65 10.139 3.960 6.054 1.00 0.00 N ATOM 956 CA PHE A 65 11.401 3.265 5.868 1.00 0.00 C ATOM 957 C PHE A 65 12.280 3.384 7.115 1.00 0.00 C ATOM 958 O PHE A 65 12.252 4.402 7.804 1.00 0.00 O ATOM 959 CB PHE A 65 12.112 3.935 4.691 1.00 0.00 C ATOM 960 CG PHE A 65 11.190 4.768 3.799 1.00 0.00 C ATOM 961 CD1 PHE A 65 10.531 4.179 2.765 1.00 0.00 C ATOM 962 CD2 PHE A 65 11.028 6.096 4.040 1.00 0.00 C ATOM 963 CE1 PHE A 65 9.675 4.952 1.937 1.00 0.00 C ATOM 964 CE2 PHE A 65 10.172 6.869 3.213 1.00 0.00 C ATOM 965 CZ PHE A 65 9.513 6.281 2.178 1.00 0.00 C ATOM 0 H PHE A 65 10.141 4.658 6.798 1.00 0.00 H new ATOM 0 HA PHE A 65 11.219 2.206 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.905 4.577 5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.591 3.167 4.084 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.659 3.124 2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 65 11.551 6.563 4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.152 4.485 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.044 7.924 3.405 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.862 6.869 1.548 1.00 0.00 H new ATOM 975 N TRP A 66 13.041 2.328 7.366 1.00 0.00 N ATOM 976 CA TRP A 66 13.927 2.302 8.518 1.00 0.00 C ATOM 977 C TRP A 66 14.935 1.169 8.313 1.00 0.00 C ATOM 978 O TRP A 66 16.109 1.310 8.652 1.00 0.00 O ATOM 979 CB TRP A 66 13.132 2.166 9.818 1.00 0.00 C ATOM 980 CG TRP A 66 12.463 0.802 9.999 1.00 0.00 C ATOM 981 CD1 TRP A 66 13.004 -0.325 10.482 1.00 0.00 C ATOM 982 CD2 TRP A 66 11.097 0.465 9.677 1.00 0.00 C ATOM 983 NE1 TRP A 66 12.091 -1.359 10.495 1.00 0.00 N ATOM 984 CE2 TRP A 66 10.894 -0.864 9.990 1.00 0.00 C ATOM 985 CE3 TRP A 66 10.067 1.256 9.139 1.00 0.00 C ATOM 986 CZ2 TRP A 66 9.671 -1.518 9.801 1.00 0.00 C ATOM 987 CZ3 TRP A 66 8.850 0.588 8.957 1.00 0.00 C ATOM 988 CH2 TRP A 66 8.630 -0.749 9.267 1.00 0.00 C ATOM 0 H TRP A 66 13.062 1.485 6.792 1.00 0.00 H new ATOM 0 HA TRP A 66 14.472 3.242 8.607 1.00 0.00 H new ATOM 0 HB2 TRP A 66 13.800 2.346 10.661 1.00 0.00 H new ATOM 0 HB3 TRP A 66 12.366 2.941 9.846 1.00 0.00 H new ATOM 0 HD1 TRP A 66 14.026 -0.413 10.819 1.00 0.00 H new ATOM 0 HE1 TRP A 66 12.263 -2.312 10.816 1.00 0.00 H new ATOM 0 HE3 TRP A 66 10.204 2.297 8.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.538 -2.560 10.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 8.024 1.151 8.547 1.00 0.00 H new ATOM 0 HH2 TRP A 66 7.660 -1.193 9.097 1.00 0.00 H new TER 999 TRP A 66