USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=7 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 67:sc= 0.536 USER MOD Set 1.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.596 K(o=2.6,f=1.1) USER MOD Set 2.2: A 44 GLN : amide:sc= 1.33 K(o=2.6,f=0.35) USER MOD Set 2.3: A 47 GLN : amide:sc= 0.649 K(o=2.6,f=-0.19) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.17) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.406 K(o=-0.41,f=-2.3) USER MOD Single : A 13 SER OG : rot 78:sc= 1.23 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 15 THR OG1 : rot -79:sc= 0.821 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.058) USER MOD Single : A 34 GLN : amide:sc= 0.639 K(o=0.64,f=-0.98) USER MOD Single : A 35 GLN : amide:sc= -0.0305 X(o=-0.03,f=-0.03) USER MOD Single : A 42 GLN : amide:sc= -1.01 K(o=-1,f=-0.18) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) 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 5.000 -0.782 -5.500 1.00 25.00 N ATOM 54 CA LYS A 4 4.984 0.551 -6.134 1.00 25.00 C ATOM 55 C LYS A 4 4.428 0.547 -7.560 1.00 25.00 C ATOM 56 O LYS A 4 3.954 1.574 -8.046 1.00 25.00 O ATOM 57 CB LYS A 4 6.419 1.056 -6.148 1.00 25.00 C ATOM 58 CG LYS A 4 7.509 0.007 -6.508 1.00 25.00 C ATOM 59 CD LYS A 4 8.871 0.626 -6.311 1.00 25.00 C ATOM 60 CE LYS A 4 10.060 -0.263 -6.763 1.00 25.00 C ATOM 61 NZ LYS A 4 10.298 -1.478 -5.907 1.00 25.00 N ATOM 0 HA LYS A 4 4.320 1.196 -5.559 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.486 1.879 -6.860 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.648 1.466 -5.164 1.00 25.00 H new ATOM 0 HG2 LYS A 4 7.403 -0.877 -5.879 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.390 -0.320 -7.541 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.910 1.567 -6.860 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.996 0.867 -5.255 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.884 -0.587 -7.789 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.966 0.342 -6.771 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 11.108 -2.012 -6.280 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.499 -1.181 -4.931 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.451 -2.081 -5.918 1.00 25.00 H new ATOM 75 N GLN A 5 4.552 -0.602 -8.250 1.00 25.00 N ATOM 76 CA GLN A 5 4.093 -0.729 -9.597 1.00 25.00 C ATOM 77 C GLN A 5 2.552 -0.716 -9.679 1.00 25.00 C ATOM 78 O GLN A 5 2.024 -0.192 -10.641 1.00 25.00 O ATOM 79 CB GLN A 5 4.660 -2.012 -10.177 1.00 25.00 C ATOM 80 CG GLN A 5 4.666 -2.098 -11.685 1.00 25.00 C ATOM 81 CD GLN A 5 3.367 -2.517 -12.321 1.00 25.00 C ATOM 82 OE1 GLN A 5 2.797 -3.507 -11.965 1.00 25.00 O ATOM 83 NE2 GLN A 5 2.851 -1.684 -13.235 1.00 25.00 N ATOM 0 H GLN A 5 4.974 -1.449 -7.870 1.00 25.00 H new ATOM 0 HA GLN A 5 4.440 0.126 -10.177 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.683 -2.130 -9.820 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.086 -2.852 -9.785 1.00 25.00 H new ATOM 0 HG2 GLN A 5 4.947 -1.124 -12.085 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.441 -2.802 -11.987 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.367 -0.849 -13.513 1.00 25.00 H new ATOM 0 HE22 GLN A 5 1.942 -1.885 -13.652 1.00 25.00 H new ATOM 92 N GLN A 6 1.882 -1.200 -8.644 1.00 25.00 N ATOM 93 CA GLN A 6 0.404 -1.166 -8.559 1.00 25.00 C ATOM 94 C GLN A 6 -0.142 0.227 -8.626 1.00 25.00 C ATOM 95 O GLN A 6 -1.159 0.495 -9.265 1.00 25.00 O ATOM 96 CB GLN A 6 -0.094 -1.817 -7.258 1.00 25.00 C ATOM 97 CG GLN A 6 0.230 -3.322 -7.173 1.00 25.00 C ATOM 98 CD GLN A 6 -0.506 -4.041 -6.103 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.170 -3.962 -4.938 1.00 25.00 O ATOM 100 NE2 GLN A 6 -1.553 -4.763 -6.468 1.00 25.00 N ATOM 0 H GLN A 6 2.332 -1.629 -7.835 1.00 25.00 H new ATOM 0 HA GLN A 6 0.045 -1.727 -9.422 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.356 -1.306 -6.407 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.172 -1.678 -7.179 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.001 -3.787 -8.132 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.300 -3.443 -7.008 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -1.818 -4.816 -7.452 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -2.095 -5.267 -5.766 1.00 25.00 H new ATOM 109 N ILE A 7 0.543 1.147 -7.956 1.00 25.00 N ATOM 110 CA ILE A 7 0.138 2.528 -7.991 1.00 25.00 C ATOM 111 C ILE A 7 0.337 3.081 -9.431 1.00 25.00 C ATOM 112 O ILE A 7 -0.482 3.867 -9.918 1.00 25.00 O ATOM 113 CB ILE A 7 0.978 3.371 -6.976 1.00 25.00 C ATOM 114 CG1 ILE A 7 0.948 2.722 -5.557 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.508 4.819 -6.875 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.167 3.106 -4.725 1.00 25.00 C ATOM 0 H ILE A 7 1.370 0.955 -7.391 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.913 2.600 -7.710 1.00 25.00 H new ATOM 0 HB ILE A 7 1.998 3.378 -7.361 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.042 3.032 -5.036 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.904 1.637 -5.656 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.129 5.354 -6.156 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.590 5.297 -7.851 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.531 4.842 -6.546 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.103 2.632 -3.746 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.073 2.773 -5.231 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.197 4.189 -4.602 1.00 25.00 H new ATOM 128 N MET A 8 1.408 2.692 -10.118 1.00 25.00 N ATOM 129 CA MET A 8 1.680 3.191 -11.469 1.00 25.00 C ATOM 130 C MET A 8 0.616 2.713 -12.476 1.00 25.00 C ATOM 131 O MET A 8 0.245 3.412 -13.394 1.00 25.00 O ATOM 132 CB MET A 8 3.052 2.713 -11.997 1.00 25.00 C ATOM 133 CG MET A 8 4.233 3.205 -11.174 1.00 25.00 C ATOM 134 SD MET A 8 5.838 2.910 -11.934 1.00 25.00 S ATOM 135 CE MET A 8 5.894 4.377 -13.160 1.00 25.00 C ATOM 0 H MET A 8 2.103 2.034 -9.765 1.00 25.00 H new ATOM 0 HA MET A 8 1.667 4.278 -11.386 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.064 1.623 -12.016 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.172 3.051 -13.026 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.118 4.275 -10.998 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.210 2.717 -10.199 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.829 4.348 -13.719 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.055 4.305 -13.852 1.00 25.00 H new ATOM 0 HE3 MET A 8 5.830 5.315 -12.608 1.00 25.00 H new ATOM 145 N ALA A 9 0.167 1.482 -12.302 1.00 25.00 N ATOM 146 CA ALA A 9 -0.856 0.933 -13.154 1.00 25.00 C ATOM 147 C ALA A 9 -2.164 1.777 -13.011 1.00 25.00 C ATOM 148 O ALA A 9 -2.763 2.152 -14.017 1.00 25.00 O ATOM 149 CB ALA A 9 -1.064 -0.589 -12.807 1.00 25.00 C ATOM 0 H ALA A 9 0.500 0.848 -11.575 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.557 0.985 -14.201 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.838 -1.006 -13.451 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.130 -1.129 -12.965 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.368 -0.686 -11.765 1.00 25.00 H new ATOM 155 N ALA A 10 -2.533 2.162 -11.779 1.00 25.00 N ATOM 156 CA ALA A 10 -3.696 3.012 -11.584 1.00 25.00 C ATOM 157 C ALA A 10 -3.550 4.400 -12.245 1.00 25.00 C ATOM 158 O ALA A 10 -4.448 4.874 -12.982 1.00 25.00 O ATOM 159 CB ALA A 10 -3.996 3.182 -10.045 1.00 25.00 C ATOM 0 H ALA A 10 -2.046 1.899 -10.922 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.531 2.512 -12.074 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.869 3.821 -9.913 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.191 2.205 -9.602 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.136 3.638 -9.555 1.00 25.00 H new ATOM 165 N LEU A 11 -2.405 5.073 -11.998 1.00 25.00 N ATOM 166 CA LEU A 11 -2.159 6.389 -12.577 1.00 25.00 C ATOM 167 C LEU A 11 -2.128 6.274 -14.107 1.00 25.00 C ATOM 168 O LEU A 11 -2.569 7.210 -14.789 1.00 25.00 O ATOM 169 CB LEU A 11 -0.832 6.943 -12.075 1.00 25.00 C ATOM 170 CG LEU A 11 -0.703 7.263 -10.587 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.734 7.557 -10.220 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.615 8.363 -10.149 1.00 25.00 C ATOM 0 H LEU A 11 -1.651 4.722 -11.407 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.958 7.067 -12.278 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.053 6.225 -12.330 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.619 7.856 -12.632 1.00 25.00 H new ATOM 0 HG LEU A 11 -1.019 6.372 -10.045 1.00 25.00 H new ATOM 0 HD11 LEU A 11 0.799 7.782 -9.155 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.352 6.688 -10.446 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.088 8.413 -10.794 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.479 8.546 -9.083 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.383 9.271 -10.705 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.649 8.075 -10.339 1.00 25.00 H new ATOM 184 N ASN A 12 -1.596 5.180 -14.640 1.00 25.00 N ATOM 185 CA ASN A 12 -1.437 5.078 -16.072 1.00 25.00 C ATOM 186 C ASN A 12 -2.812 4.930 -16.720 1.00 25.00 C ATOM 187 O ASN A 12 -3.060 5.361 -17.815 1.00 25.00 O ATOM 188 CB ASN A 12 -0.535 3.865 -16.461 1.00 25.00 C ATOM 189 CG ASN A 12 0.958 4.083 -16.135 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.351 5.129 -15.709 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.767 3.125 -16.365 1.00 25.00 N ATOM 0 H ASN A 12 -1.276 4.370 -14.109 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.949 5.984 -16.431 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.888 2.976 -15.937 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.642 3.670 -17.528 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.764 3.245 -16.186 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.417 2.238 -16.728 1.00 25.00 H new ATOM 198 N SER A 13 -3.722 4.291 -15.980 1.00 25.00 N ATOM 199 CA SER A 13 -5.065 4.011 -16.524 1.00 25.00 C ATOM 200 C SER A 13 -5.854 5.338 -16.699 1.00 25.00 C ATOM 201 O SER A 13 -6.498 5.556 -17.727 1.00 25.00 O ATOM 202 CB SER A 13 -5.793 3.050 -15.617 1.00 25.00 C ATOM 203 OG SER A 13 -5.071 1.848 -15.482 1.00 25.00 O ATOM 0 H SER A 13 -3.566 3.963 -15.027 1.00 25.00 H new ATOM 0 HA SER A 13 -4.973 3.545 -17.505 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.937 3.505 -14.637 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.784 2.841 -16.020 1.00 25.00 H new ATOM 0 HG SER A 13 -4.331 1.980 -14.853 1.00 25.00 H new ATOM 209 N GLN A 14 -5.815 6.198 -15.684 1.00 25.00 N ATOM 210 CA GLN A 14 -6.572 7.449 -15.675 1.00 25.00 C ATOM 211 C GLN A 14 -5.994 8.582 -16.536 1.00 25.00 C ATOM 212 O GLN A 14 -6.624 9.597 -16.769 1.00 25.00 O ATOM 213 CB GLN A 14 -6.723 7.931 -14.209 1.00 25.00 C ATOM 214 CG GLN A 14 -5.463 8.620 -13.635 1.00 25.00 C ATOM 215 CD GLN A 14 -5.642 9.080 -12.191 1.00 25.00 C ATOM 216 OE1 GLN A 14 -6.644 8.844 -11.537 1.00 25.00 O ATOM 217 NE2 GLN A 14 -4.622 9.714 -11.686 1.00 25.00 N ATOM 0 H GLN A 14 -5.257 6.048 -14.843 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.534 7.216 -16.132 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -7.561 8.625 -14.151 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.974 7.076 -13.581 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -4.621 7.930 -13.689 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.211 9.480 -14.256 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -3.799 9.895 -12.260 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -4.647 10.029 -10.716 1.00 25.00 H new ATOM 226 N THR A 15 -4.785 8.367 -17.030 1.00 25.00 N ATOM 227 CA THR A 15 -4.140 9.327 -17.923 1.00 25.00 C ATOM 228 C THR A 15 -3.798 8.743 -19.307 1.00 25.00 C ATOM 229 O THR A 15 -3.157 9.408 -20.122 1.00 25.00 O ATOM 230 CB THR A 15 -2.853 9.864 -17.315 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.948 8.765 -17.127 1.00 25.00 O ATOM 232 CG2 THR A 15 -3.100 10.539 -15.961 1.00 25.00 C ATOM 0 H THR A 15 -4.227 7.537 -16.830 1.00 25.00 H new ATOM 0 HA THR A 15 -4.871 10.124 -18.054 1.00 25.00 H new ATOM 0 HB THR A 15 -2.438 10.611 -17.992 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.199 8.269 -16.320 1.00 25.00 H new ATOM 0 HG21 THR A 15 -2.156 10.909 -15.561 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.790 11.373 -16.091 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.530 9.816 -15.267 1.00 25.00 H new ATOM 240 N ALA A 16 -4.274 7.552 -19.600 1.00 25.00 N ATOM 241 CA ALA A 16 -3.945 6.880 -20.863 1.00 25.00 C ATOM 242 C ALA A 16 -4.338 7.710 -22.070 1.00 25.00 C ATOM 243 O ALA A 16 -3.482 8.134 -22.865 1.00 25.00 O ATOM 244 CB ALA A 16 -4.637 5.473 -20.875 1.00 25.00 C ATOM 0 H ALA A 16 -4.892 7.019 -18.988 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.864 6.754 -20.929 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.402 4.960 -21.808 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.274 4.882 -20.034 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.717 5.598 -20.791 1.00 25.00 H new ATOM 250 N VAL A 17 -5.636 7.965 -22.207 1.00 25.00 N ATOM 251 CA VAL A 17 -6.170 8.765 -23.321 1.00 25.00 C ATOM 252 C VAL A 17 -5.746 10.253 -23.189 1.00 25.00 C ATOM 253 O VAL A 17 -5.414 10.898 -24.189 1.00 25.00 O ATOM 254 CB VAL A 17 -7.737 8.525 -23.387 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.531 9.304 -22.261 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.233 8.952 -24.775 1.00 25.00 C ATOM 0 H VAL A 17 -6.348 7.629 -21.558 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.750 8.451 -24.276 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.924 7.465 -23.213 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.597 9.099 -22.360 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.187 8.976 -21.280 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.356 10.375 -22.367 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.310 8.795 -24.841 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -8.010 10.007 -24.932 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.732 8.358 -25.539 1.00 25.00 H new ATOM 266 N GLN A 18 -5.689 10.767 -21.961 1.00 25.00 N ATOM 267 CA GLN A 18 -5.374 12.173 -21.710 1.00 25.00 C ATOM 268 C GLN A 18 -3.974 12.467 -22.211 1.00 25.00 C ATOM 269 O GLN A 18 -3.754 13.452 -22.906 1.00 25.00 O ATOM 270 CB GLN A 18 -5.475 12.391 -20.198 1.00 25.00 C ATOM 271 CG GLN A 18 -5.202 13.879 -19.728 1.00 25.00 C ATOM 272 CD GLN A 18 -5.446 14.062 -18.270 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.828 13.427 -17.427 1.00 25.00 O ATOM 274 NE2 GLN A 18 -6.358 14.984 -17.945 1.00 25.00 N ATOM 0 H GLN A 18 -5.859 10.223 -21.115 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.061 12.841 -22.229 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.471 12.096 -19.867 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.765 11.730 -19.700 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.171 14.148 -19.959 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.842 14.559 -20.290 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.853 15.493 -18.678 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -6.559 15.179 -16.964 1.00 25.00 H new ATOM 283 N PHE A 19 -3.036 11.600 -21.916 1.00 25.00 N ATOM 284 CA PHE A 19 -1.667 11.835 -22.340 1.00 25.00 C ATOM 285 C PHE A 19 -1.545 11.513 -23.815 1.00 25.00 C ATOM 286 O PHE A 19 -0.750 12.090 -24.495 1.00 25.00 O ATOM 287 CB PHE A 19 -0.646 10.970 -21.572 1.00 25.00 C ATOM 288 CG PHE A 19 -0.369 11.423 -20.115 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.724 12.741 -19.632 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.263 10.503 -19.243 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.425 13.120 -18.296 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.524 10.861 -17.903 1.00 25.00 C ATOM 293 CZ PHE A 19 0.210 12.195 -17.422 1.00 25.00 C ATOM 0 H PHE A 19 -3.186 10.737 -21.393 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.443 12.882 -22.134 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.004 9.941 -21.555 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.295 10.971 -22.122 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.219 13.439 -20.291 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.546 9.525 -19.604 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.679 14.109 -17.945 1.00 25.00 H new ATOM 0 HE2 PHE A 19 0.960 10.138 -17.230 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.456 12.482 -16.410 1.00 25.00 H new ATOM 303 N GLN A 20 -2.367 10.616 -24.335 1.00 25.00 N ATOM 304 CA GLN A 20 -2.364 10.302 -25.774 1.00 25.00 C ATOM 305 C GLN A 20 -2.701 11.566 -26.559 1.00 25.00 C ATOM 306 O GLN A 20 -2.059 11.847 -27.588 1.00 25.00 O ATOM 307 CB GLN A 20 -3.341 9.180 -26.070 1.00 25.00 C ATOM 308 CG GLN A 20 -3.195 8.503 -27.379 1.00 25.00 C ATOM 309 CD GLN A 20 -4.237 7.420 -27.541 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.417 7.657 -27.302 1.00 25.00 O ATOM 311 NE2 GLN A 20 -3.834 6.239 -27.898 1.00 25.00 N ATOM 0 H GLN A 20 -3.049 10.087 -23.791 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.376 9.958 -26.079 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.246 8.429 -25.285 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.352 9.582 -26.005 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.293 9.232 -28.184 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.198 8.070 -27.461 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -2.846 6.074 -28.090 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -4.505 5.476 -27.987 1.00 25.00 H new ATOM 320 N GLN A 21 -3.674 12.337 -26.093 1.00 25.00 N ATOM 321 CA GLN A 21 -4.076 13.572 -26.779 1.00 25.00 C ATOM 322 C GLN A 21 -2.905 14.558 -26.840 1.00 25.00 C ATOM 323 O GLN A 21 -2.637 15.134 -27.893 1.00 25.00 O ATOM 324 CB GLN A 21 -5.284 14.174 -26.103 1.00 25.00 C ATOM 325 CG GLN A 21 -6.575 13.317 -26.247 1.00 25.00 C ATOM 326 CD GLN A 21 -7.355 13.583 -27.524 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.989 14.619 -27.672 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.311 12.687 -28.444 1.00 25.00 N ATOM 0 H GLN A 21 -4.203 12.135 -25.245 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.355 13.335 -27.806 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -5.066 14.311 -25.044 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.467 15.164 -26.521 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.304 12.262 -26.212 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.223 13.508 -25.391 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -6.776 11.831 -28.297 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -7.811 12.831 -29.321 1.00 25.00 H new ATOM 337 N TYR A 22 -2.151 14.697 -25.738 1.00 25.00 N ATOM 338 CA TYR A 22 -0.919 15.518 -25.764 1.00 25.00 C ATOM 339 C TYR A 22 0.241 14.924 -26.580 1.00 25.00 C ATOM 340 O TYR A 22 1.017 15.608 -27.243 1.00 25.00 O ATOM 341 CB TYR A 22 -0.430 15.657 -24.338 1.00 25.00 C ATOM 342 CG TYR A 22 0.935 16.316 -24.261 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.054 17.717 -24.383 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.095 15.551 -24.110 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.302 18.346 -24.306 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.325 16.175 -24.028 1.00 25.00 C ATOM 347 CZ TYR A 22 3.442 17.560 -24.119 1.00 25.00 C ATOM 348 OH TYR A 22 4.718 18.117 -24.002 1.00 25.00 O ATOM 0 H TYR A 22 -2.360 14.266 -24.838 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.191 16.460 -26.240 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.148 16.244 -23.765 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.382 14.672 -23.874 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.167 18.314 -24.538 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.030 14.474 -24.058 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.382 19.420 -24.390 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.214 15.577 -23.891 1.00 25.00 H new ATOM 0 HH TYR A 22 5.377 17.402 -23.876 1.00 25.00 H new ATOM 358 N ALA A 23 0.326 13.592 -26.605 1.00 25.00 N ATOM 359 CA ALA A 23 1.448 12.964 -27.294 1.00 25.00 C ATOM 360 C ALA A 23 1.252 13.137 -28.819 1.00 25.00 C ATOM 361 O ALA A 23 2.211 13.298 -29.554 1.00 25.00 O ATOM 362 CB ALA A 23 1.549 11.515 -26.946 1.00 25.00 C ATOM 0 H ALA A 23 -0.341 12.952 -26.174 1.00 25.00 H new ATOM 0 HA ALA A 23 2.375 13.443 -26.980 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.394 11.072 -27.474 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.696 11.408 -25.871 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.631 11.006 -27.239 1.00 25.00 H new ATOM 368 N ALA A 24 -0.003 13.182 -29.284 1.00 25.00 N ATOM 369 CA ALA A 24 -0.333 13.418 -30.679 1.00 25.00 C ATOM 370 C ALA A 24 -0.016 14.865 -31.069 1.00 25.00 C ATOM 371 O ALA A 24 0.056 15.157 -32.248 1.00 25.00 O ATOM 372 CB ALA A 24 -1.798 13.177 -30.893 1.00 25.00 C ATOM 0 H ALA A 24 -0.821 13.053 -28.688 1.00 25.00 H new ATOM 0 HA ALA A 24 0.259 12.740 -31.293 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.047 13.354 -31.939 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.039 12.147 -30.632 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.374 13.855 -30.264 1.00 25.00 H new ATOM 378 N GLN A 25 0.065 15.755 -30.107 1.00 25.00 N ATOM 379 CA GLN A 25 0.298 17.173 -30.348 1.00 25.00 C ATOM 380 C GLN A 25 1.804 17.418 -30.462 1.00 25.00 C ATOM 381 O GLN A 25 2.254 18.475 -30.864 1.00 25.00 O ATOM 382 CB GLN A 25 -0.328 17.963 -29.190 1.00 25.00 C ATOM 383 CG GLN A 25 -0.547 19.450 -29.474 1.00 25.00 C ATOM 384 CD GLN A 25 -1.167 20.119 -28.280 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.609 20.119 -27.208 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.287 20.777 -28.496 1.00 25.00 N ATOM 0 H GLN A 25 -0.029 15.518 -29.119 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.161 17.502 -31.280 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.287 17.511 -28.936 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.313 17.865 -28.314 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.404 19.926 -29.714 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.193 19.571 -30.344 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -2.725 20.750 -29.417 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -2.717 21.314 -27.742 1.00 25.00 H new ATOM 395 N GLN A 26 2.579 16.381 -30.114 1.00 25.00 N ATOM 396 CA GLN A 26 4.034 16.447 -30.220 1.00 25.00 C ATOM 397 C GLN A 26 4.515 15.608 -31.397 1.00 25.00 C ATOM 398 O GLN A 26 5.315 16.074 -32.220 1.00 25.00 O ATOM 399 CB GLN A 26 4.648 15.885 -28.937 1.00 25.00 C ATOM 400 CG GLN A 26 4.465 16.741 -27.739 1.00 25.00 C ATOM 401 CD GLN A 26 5.593 17.769 -27.585 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.753 17.408 -27.389 1.00 25.00 O ATOM 403 NE2 GLN A 26 5.247 19.035 -27.697 1.00 25.00 N ATOM 0 H GLN A 26 2.221 15.494 -29.760 1.00 25.00 H new ATOM 0 HA GLN A 26 4.334 17.484 -30.369 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.211 14.907 -28.739 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.715 15.731 -29.098 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.509 17.260 -27.808 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.423 16.113 -26.849 1.00 25.00 H new ATOM 0 HE21 GLN A 26 4.271 19.285 -27.859 1.00 25.00 H new ATOM 0 HE22 GLN A 26 5.955 19.766 -27.621 1.00 25.00 H new ATOM 412 N TYR A 27 4.009 14.386 -31.502 1.00 25.00 N ATOM 413 CA TYR A 27 4.393 13.510 -32.577 1.00 25.00 C ATOM 414 C TYR A 27 3.149 13.106 -33.422 1.00 25.00 C ATOM 415 O TYR A 27 2.663 11.990 -33.323 1.00 25.00 O ATOM 416 CB TYR A 27 5.073 12.249 -31.976 1.00 25.00 C ATOM 417 CG TYR A 27 6.360 12.476 -31.248 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.401 13.187 -31.868 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.559 12.010 -29.924 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.656 13.414 -31.214 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.847 12.233 -29.263 1.00 25.00 C ATOM 422 CZ TYR A 27 8.848 12.948 -29.902 1.00 25.00 C ATOM 423 OH TYR A 27 10.036 13.175 -29.303 1.00 25.00 O ATOM 0 H TYR A 27 3.332 13.988 -30.851 1.00 25.00 H new ATOM 0 HA TYR A 27 5.093 14.025 -33.236 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.371 11.775 -31.290 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.257 11.541 -32.784 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.251 13.573 -32.865 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.765 11.493 -29.405 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.449 13.939 -31.726 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.018 11.838 -28.272 1.00 25.00 H new ATOM 0 HH TYR A 27 10.024 12.797 -28.399 1.00 25.00 H new ATOM 433 N PRO A 28 2.590 14.042 -34.248 1.00 25.00 N ATOM 434 CA PRO A 28 1.426 13.605 -34.980 1.00 25.00 C ATOM 435 C PRO A 28 1.775 12.514 -35.986 1.00 25.00 C ATOM 436 O PRO A 28 2.799 12.542 -36.626 1.00 25.00 O ATOM 437 CB PRO A 28 0.919 14.892 -35.657 1.00 25.00 C ATOM 438 CG PRO A 28 2.122 15.700 -35.874 1.00 25.00 C ATOM 439 CD PRO A 28 2.936 15.445 -34.627 1.00 25.00 C ATOM 0 HA PRO A 28 0.667 13.150 -34.344 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.415 14.672 -36.598 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.200 15.414 -35.026 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.656 15.394 -36.774 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.882 16.757 -35.990 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.003 15.555 -34.818 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.680 16.147 -33.833 1.00 25.00 H new ATOM 447 N GLY A 29 0.849 11.582 -36.210 1.00 25.00 N ATOM 448 CA GLY A 29 1.010 10.564 -37.237 1.00 25.00 C ATOM 449 C GLY A 29 2.000 9.447 -36.934 1.00 25.00 C ATOM 450 O GLY A 29 2.286 8.578 -37.767 1.00 25.00 O ATOM 0 H GLY A 29 -0.025 11.515 -35.688 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.036 10.114 -37.428 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.321 11.055 -38.159 1.00 25.00 H new ATOM 454 N ASN A 30 2.498 9.456 -35.700 1.00 25.00 N ATOM 455 CA ASN A 30 3.487 8.509 -35.243 1.00 25.00 C ATOM 456 C ASN A 30 3.052 7.927 -33.914 1.00 25.00 C ATOM 457 O ASN A 30 3.537 8.349 -32.865 1.00 25.00 O ATOM 458 CB ASN A 30 4.841 9.205 -35.123 1.00 25.00 C ATOM 459 CG ASN A 30 5.527 9.392 -36.487 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.818 10.522 -36.918 1.00 25.00 O ATOM 461 ND2 ASN A 30 5.789 8.301 -37.153 1.00 25.00 N ATOM 0 H ASN A 30 2.217 10.132 -34.989 1.00 25.00 H new ATOM 0 HA ASN A 30 3.583 7.693 -35.960 1.00 25.00 H new ATOM 0 HB2 ASN A 30 4.706 10.178 -34.651 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.490 8.621 -34.470 1.00 25.00 H new ATOM 0 HD21 ASN A 30 6.249 8.356 -38.062 1.00 25.00 H new ATOM 0 HD22 ASN A 30 5.534 7.393 -36.765 1.00 25.00 H new ATOM 468 N TYR A 31 2.115 6.997 -33.968 1.00 25.00 N ATOM 469 CA TYR A 31 1.637 6.331 -32.751 1.00 25.00 C ATOM 470 C TYR A 31 2.862 5.738 -31.995 1.00 25.00 C ATOM 471 O TYR A 31 2.944 5.818 -30.787 1.00 25.00 O ATOM 472 CB TYR A 31 0.590 5.260 -33.147 1.00 25.00 C ATOM 473 CG TYR A 31 0.395 4.107 -32.177 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.455 4.210 -31.056 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.041 2.871 -32.427 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.644 3.091 -30.163 1.00 25.00 C ATOM 477 CE2 TYR A 31 0.855 1.724 -31.538 1.00 25.00 C ATOM 478 CZ TYR A 31 0.013 1.848 -30.423 1.00 25.00 C ATOM 479 OH TYR A 31 -0.186 0.799 -29.582 1.00 25.00 O ATOM 0 H TYR A 31 1.668 6.682 -34.829 1.00 25.00 H new ATOM 0 HA TYR A 31 1.144 7.029 -32.074 1.00 25.00 H new ATOM 0 HB2 TYR A 31 -0.371 5.757 -33.283 1.00 25.00 H new ATOM 0 HB3 TYR A 31 0.875 4.847 -34.115 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.972 5.139 -30.863 1.00 25.00 H new ATOM 0 HD2 TYR A 31 1.683 2.774 -33.290 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.282 3.193 -29.298 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.361 0.791 -31.738 1.00 25.00 H new ATOM 0 HH TYR A 31 0.329 0.026 -29.895 1.00 25.00 H new ATOM 489 N GLU A 32 3.794 5.122 -32.702 1.00 25.00 N ATOM 490 CA GLU A 32 4.988 4.521 -32.051 1.00 25.00 C ATOM 491 C GLU A 32 5.757 5.545 -31.224 1.00 25.00 C ATOM 492 O GLU A 32 5.995 5.302 -30.052 1.00 25.00 O ATOM 493 CB GLU A 32 5.918 3.793 -33.031 1.00 25.00 C ATOM 494 CG GLU A 32 6.481 4.657 -34.116 1.00 25.00 C ATOM 495 CD GLU A 32 7.192 3.876 -35.252 1.00 25.00 C ATOM 496 OE1 GLU A 32 6.482 3.570 -36.244 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.444 3.774 -35.222 1.00 25.00 O ATOM 0 H GLU A 32 3.766 5.016 -33.716 1.00 25.00 H new ATOM 0 HA GLU A 32 4.599 3.759 -31.375 1.00 25.00 H new ATOM 0 HB2 GLU A 32 6.743 3.354 -32.470 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.369 2.970 -33.488 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.674 5.249 -34.548 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.189 5.358 -33.675 1.00 25.00 H new ATOM 504 N GLN A 33 6.028 6.733 -31.778 1.00 25.00 N ATOM 505 CA GLN A 33 6.718 7.741 -31.017 1.00 25.00 C ATOM 506 C GLN A 33 5.874 8.347 -29.899 1.00 25.00 C ATOM 507 O GLN A 33 6.387 8.631 -28.819 1.00 25.00 O ATOM 508 CB GLN A 33 7.164 8.852 -31.913 1.00 25.00 C ATOM 509 CG GLN A 33 8.086 8.387 -32.972 1.00 25.00 C ATOM 510 CD GLN A 33 9.433 7.969 -32.427 1.00 25.00 C ATOM 511 OE1 GLN A 33 9.921 6.909 -32.662 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.048 8.843 -31.695 1.00 25.00 N ATOM 0 H GLN A 33 5.780 7.001 -32.730 1.00 25.00 H new ATOM 0 HA GLN A 33 7.567 7.233 -30.560 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.292 9.317 -32.373 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.657 9.620 -31.317 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.634 7.546 -33.499 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.225 9.183 -33.703 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.613 9.746 -31.505 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.967 8.628 -31.309 1.00 25.00 H new ATOM 521 N GLN A 34 4.587 8.456 -30.125 1.00 25.00 N ATOM 522 CA GLN A 34 3.707 8.895 -29.080 1.00 25.00 C ATOM 523 C GLN A 34 3.810 7.961 -27.854 1.00 25.00 C ATOM 524 O GLN A 34 3.741 8.414 -26.681 1.00 25.00 O ATOM 525 CB GLN A 34 2.259 8.921 -29.592 1.00 25.00 C ATOM 526 CG GLN A 34 1.947 9.944 -30.612 1.00 25.00 C ATOM 527 CD GLN A 34 0.634 9.702 -31.318 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.175 8.944 -30.846 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.387 10.344 -32.429 1.00 25.00 N ATOM 0 H GLN A 34 4.133 8.248 -31.015 1.00 25.00 H new ATOM 0 HA GLN A 34 4.002 9.900 -28.779 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.024 7.941 -30.007 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.597 9.073 -28.740 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.921 10.925 -30.137 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.749 9.968 -31.350 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.083 10.982 -32.815 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.502 10.207 -32.910 1.00 25.00 H new ATOM 538 N GLN A 35 3.956 6.668 -28.099 1.00 25.00 N ATOM 539 CA GLN A 35 3.903 5.695 -26.978 1.00 25.00 C ATOM 540 C GLN A 35 5.141 5.814 -26.083 1.00 25.00 C ATOM 541 O GLN A 35 5.127 5.629 -24.867 1.00 25.00 O ATOM 542 CB GLN A 35 3.781 4.282 -27.529 1.00 25.00 C ATOM 543 CG GLN A 35 2.385 3.961 -28.045 1.00 25.00 C ATOM 544 CD GLN A 35 1.397 3.710 -26.887 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.528 2.752 -26.134 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.431 4.575 -26.733 1.00 25.00 N ATOM 0 H GLN A 35 4.107 6.262 -29.022 1.00 25.00 H new ATOM 0 HA GLN A 35 3.028 5.919 -26.368 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.500 4.150 -28.338 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.046 3.570 -26.748 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.025 4.786 -28.659 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.427 3.081 -28.686 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.345 5.363 -27.374 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.238 4.462 -25.971 1.00 25.00 H new ATOM 555 N ILE A 36 6.230 6.175 -26.722 1.00 25.00 N ATOM 556 CA ILE A 36 7.493 6.323 -26.039 1.00 25.00 C ATOM 557 C ILE A 36 7.410 7.548 -25.101 1.00 25.00 C ATOM 558 O ILE A 36 7.853 7.510 -23.958 1.00 25.00 O ATOM 559 CB ILE A 36 8.601 6.501 -27.115 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.644 5.247 -27.976 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.976 6.810 -26.432 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.458 5.388 -29.302 1.00 25.00 C ATOM 0 H ILE A 36 6.265 6.373 -27.722 1.00 25.00 H new ATOM 0 HA ILE A 36 7.728 5.448 -25.432 1.00 25.00 H new ATOM 0 HB ILE A 36 8.379 7.351 -27.760 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.072 4.435 -27.388 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.622 4.958 -28.223 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.743 6.932 -27.197 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.895 7.728 -25.850 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.249 5.985 -25.774 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.431 4.445 -29.847 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.020 6.175 -29.916 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.492 5.643 -29.069 1.00 25.00 H new ATOM 574 N LEU A 37 6.809 8.589 -25.617 1.00 25.00 N ATOM 575 CA LEU A 37 6.666 9.862 -24.911 1.00 25.00 C ATOM 576 C LEU A 37 5.781 9.752 -23.653 1.00 25.00 C ATOM 577 O LEU A 37 6.171 10.148 -22.549 1.00 25.00 O ATOM 578 CB LEU A 37 6.106 10.956 -25.813 1.00 25.00 C ATOM 579 CG LEU A 37 5.934 12.311 -25.113 1.00 25.00 C ATOM 580 CD1 LEU A 37 7.137 12.822 -24.437 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.406 13.329 -26.161 1.00 25.00 C ATOM 0 H LEU A 37 6.396 8.589 -26.550 1.00 25.00 H new ATOM 0 HA LEU A 37 7.676 10.130 -24.601 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.769 11.082 -26.669 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.140 10.634 -26.202 1.00 25.00 H new ATOM 0 HG LEU A 37 5.221 12.166 -24.301 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.913 13.783 -23.974 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.452 12.114 -23.670 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.938 12.948 -25.166 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.275 14.302 -25.689 1.00 25.00 H new ATOM 0 HD22 LEU A 37 6.123 13.416 -26.977 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.449 12.984 -26.553 1.00 25.00 H new ATOM 593 N ILE A 38 4.644 9.091 -23.806 1.00 25.00 N ATOM 594 CA ILE A 38 3.741 8.776 -22.680 1.00 25.00 C ATOM 595 C ILE A 38 4.467 7.964 -21.634 1.00 25.00 C ATOM 596 O ILE A 38 4.251 8.198 -20.451 1.00 25.00 O ATOM 597 CB ILE A 38 2.479 8.000 -23.142 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.695 8.826 -24.157 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.548 7.630 -21.956 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.670 8.077 -24.972 1.00 25.00 C ATOM 0 H ILE A 38 4.310 8.753 -24.708 1.00 25.00 H new ATOM 0 HA ILE A 38 3.419 9.727 -22.256 1.00 25.00 H new ATOM 0 HB ILE A 38 2.826 7.073 -23.599 1.00 25.00 H new ATOM 0 HG12 ILE A 38 1.189 9.632 -23.626 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.404 9.292 -24.842 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.679 7.088 -22.331 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.091 7.002 -21.250 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.219 8.540 -21.454 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.177 8.766 -25.658 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.163 7.289 -25.541 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.071 7.635 -24.307 1.00 25.00 H new ATOM 612 N ARG A 39 5.420 7.152 -22.039 1.00 25.00 N ATOM 613 CA ARG A 39 6.115 6.370 -21.058 1.00 25.00 C ATOM 614 C ARG A 39 6.793 7.259 -20.056 1.00 25.00 C ATOM 615 O ARG A 39 6.817 6.958 -18.871 1.00 25.00 O ATOM 616 CB ARG A 39 7.114 5.448 -21.723 1.00 25.00 C ATOM 617 CG ARG A 39 7.197 4.070 -21.079 1.00 25.00 C ATOM 618 CD ARG A 39 7.770 3.050 -21.977 1.00 25.00 C ATOM 619 NE ARG A 39 9.203 3.321 -22.313 1.00 25.00 N ATOM 620 CZ ARG A 39 10.270 2.915 -21.620 1.00 25.00 C ATOM 621 NH1 ARG A 39 10.135 2.293 -20.472 1.00 25.00 N ATOM 622 NH2 ARG A 39 11.471 3.149 -22.107 1.00 25.00 N ATOM 0 H ARG A 39 5.719 7.023 -23.006 1.00 25.00 H new ATOM 0 HA ARG A 39 5.386 5.756 -20.528 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.846 5.333 -22.773 1.00 25.00 H new ATOM 0 HB3 ARG A 39 8.099 5.913 -21.694 1.00 25.00 H new ATOM 0 HG2 ARG A 39 7.803 4.133 -20.175 1.00 25.00 H new ATOM 0 HG3 ARG A 39 6.199 3.757 -20.772 1.00 25.00 H new ATOM 0 HD2 ARG A 39 7.690 2.070 -21.506 1.00 25.00 H new ATOM 0 HD3 ARG A 39 7.186 3.011 -22.896 1.00 25.00 H new ATOM 0 HE ARG A 39 9.382 3.870 -23.154 1.00 25.00 H new ATOM 0 HH11 ARG A 39 9.204 2.113 -20.096 1.00 25.00 H new ATOM 0 HH12 ARG A 39 10.961 1.990 -19.956 1.00 25.00 H new ATOM 0 HH21 ARG A 39 11.574 3.633 -22.999 1.00 25.00 H new ATOM 0 HH22 ARG A 39 12.298 2.846 -21.592 1.00 25.00 H new ATOM 636 N GLN A 40 7.417 8.336 -20.557 1.00 25.00 N ATOM 637 CA GLN A 40 8.184 9.252 -19.726 1.00 25.00 C ATOM 638 C GLN A 40 7.262 10.174 -18.947 1.00 25.00 C ATOM 639 O GLN A 40 7.487 10.462 -17.760 1.00 25.00 O ATOM 640 CB GLN A 40 9.096 10.059 -20.622 1.00 25.00 C ATOM 641 CG GLN A 40 10.231 10.793 -19.879 1.00 25.00 C ATOM 642 CD GLN A 40 11.145 9.807 -19.159 1.00 25.00 C ATOM 643 OE1 GLN A 40 11.627 8.854 -19.760 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.403 10.039 -17.940 1.00 25.00 N ATOM 0 H GLN A 40 7.399 8.588 -21.545 1.00 25.00 H new ATOM 0 HA GLN A 40 8.772 8.685 -19.005 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.535 9.395 -21.366 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.498 10.793 -21.163 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.813 11.381 -20.588 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.806 11.492 -19.159 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.982 10.843 -17.474 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.031 9.422 -17.425 1.00 25.00 H new ATOM 653 N LEU A 41 6.191 10.588 -19.626 1.00 25.00 N ATOM 654 CA LEU A 41 5.197 11.446 -18.978 1.00 25.00 C ATOM 655 C LEU A 41 4.708 10.800 -17.684 1.00 25.00 C ATOM 656 O LEU A 41 4.578 11.425 -16.629 1.00 25.00 O ATOM 657 CB LEU A 41 4.023 11.765 -19.916 1.00 25.00 C ATOM 658 CG LEU A 41 4.320 12.764 -21.051 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.082 12.797 -21.953 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.656 14.178 -20.598 1.00 25.00 C ATOM 0 H LEU A 41 5.992 10.352 -20.598 1.00 25.00 H new ATOM 0 HA LEU A 41 5.677 12.394 -18.735 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.675 10.833 -20.361 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.202 12.159 -19.317 1.00 25.00 H new ATOM 0 HG LEU A 41 5.217 12.417 -21.563 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.248 13.495 -22.774 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.898 11.801 -22.355 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.217 13.119 -21.373 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.849 14.803 -21.470 1.00 25.00 H new ATOM 0 HD22 LEU A 41 3.818 14.589 -20.035 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.543 14.156 -19.964 1.00 25.00 H new ATOM 672 N GLN A 42 4.451 9.497 -17.754 1.00 25.00 N ATOM 673 CA GLN A 42 3.942 8.759 -16.622 1.00 25.00 C ATOM 674 C GLN A 42 5.012 8.643 -15.495 1.00 25.00 C ATOM 675 O GLN A 42 4.662 8.754 -14.274 1.00 25.00 O ATOM 676 CB GLN A 42 3.523 7.332 -17.090 1.00 25.00 C ATOM 677 CG GLN A 42 2.291 7.406 -18.020 1.00 25.00 C ATOM 678 CD GLN A 42 1.922 6.069 -18.679 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.768 5.795 -18.928 1.00 25.00 O ATOM 680 NE2 GLN A 42 2.867 5.261 -18.950 1.00 25.00 N ATOM 0 H GLN A 42 4.591 8.935 -18.593 1.00 25.00 H new ATOM 0 HA GLN A 42 3.082 9.293 -16.219 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.353 6.857 -17.613 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.295 6.711 -16.224 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.437 7.764 -17.446 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.482 8.143 -18.800 1.00 25.00 H new ATOM 0 HE21 GLN A 42 3.831 5.512 -18.732 1.00 25.00 H new ATOM 0 HE22 GLN A 42 2.660 4.362 -19.386 1.00 25.00 H new ATOM 689 N GLU A 43 6.256 8.425 -15.869 1.00 25.00 N ATOM 690 CA GLU A 43 7.362 8.375 -14.874 1.00 25.00 C ATOM 691 C GLU A 43 7.487 9.707 -14.094 1.00 25.00 C ATOM 692 O GLU A 43 7.643 9.727 -12.857 1.00 25.00 O ATOM 693 CB GLU A 43 8.689 8.085 -15.603 1.00 25.00 C ATOM 694 CG GLU A 43 9.891 7.784 -14.692 1.00 25.00 C ATOM 695 CD GLU A 43 11.168 7.522 -15.507 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.251 6.483 -16.182 1.00 25.00 O ATOM 697 OE2 GLU A 43 12.098 8.354 -15.418 1.00 25.00 O ATOM 0 H GLU A 43 6.547 8.279 -16.836 1.00 25.00 H new ATOM 0 HA GLU A 43 7.139 7.583 -14.159 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.539 7.236 -16.270 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.935 8.943 -16.229 1.00 25.00 H new ATOM 0 HG2 GLU A 43 10.056 8.624 -14.017 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.670 6.915 -14.072 1.00 25.00 H new ATOM 704 N GLN A 44 7.407 10.819 -14.792 1.00 25.00 N ATOM 705 CA GLN A 44 7.465 12.137 -14.159 1.00 25.00 C ATOM 706 C GLN A 44 6.222 12.390 -13.309 1.00 25.00 C ATOM 707 O GLN A 44 6.328 12.932 -12.187 1.00 25.00 O ATOM 708 CB GLN A 44 7.629 13.205 -15.239 1.00 25.00 C ATOM 709 CG GLN A 44 9.053 13.853 -15.181 1.00 25.00 C ATOM 710 CD GLN A 44 10.130 12.853 -15.441 1.00 25.00 C ATOM 711 OE1 GLN A 44 10.294 12.412 -16.568 1.00 25.00 O ATOM 712 NE2 GLN A 44 10.866 12.477 -14.404 1.00 25.00 N ATOM 0 H GLN A 44 7.301 10.846 -15.806 1.00 25.00 H new ATOM 0 HA GLN A 44 8.323 12.178 -13.489 1.00 25.00 H new ATOM 0 HB2 GLN A 44 7.468 12.761 -16.221 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.870 13.976 -15.110 1.00 25.00 H new ATOM 0 HG2 GLN A 44 9.117 14.655 -15.916 1.00 25.00 H new ATOM 0 HG3 GLN A 44 9.206 14.306 -14.201 1.00 25.00 H new ATOM 0 HE21 GLN A 44 10.689 12.875 -13.482 1.00 25.00 H new ATOM 0 HE22 GLN A 44 11.609 11.789 -14.529 1.00 25.00 H new ATOM 721 N HIS A 45 5.067 11.940 -13.796 1.00 25.00 N ATOM 722 CA HIS A 45 3.868 12.048 -13.005 1.00 25.00 C ATOM 723 C HIS A 45 3.969 11.215 -11.713 1.00 25.00 C ATOM 724 O HIS A 45 3.455 11.600 -10.676 1.00 25.00 O ATOM 725 CB HIS A 45 2.633 11.637 -13.811 1.00 25.00 C ATOM 726 CG HIS A 45 1.342 12.092 -13.207 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.665 13.205 -13.614 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.584 11.567 -12.216 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.441 13.321 -12.897 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.532 12.343 -12.021 1.00 25.00 N ATOM 0 H HIS A 45 4.948 11.509 -14.713 1.00 25.00 H new ATOM 0 HA HIS A 45 3.760 13.096 -12.724 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.716 12.044 -14.819 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.617 10.551 -13.906 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.822 10.671 -11.661 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.169 14.110 -13.014 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.276 12.193 -11.340 1.00 25.00 H new ATOM 738 N TYR A 46 4.643 10.073 -11.756 1.00 25.00 N ATOM 739 CA TYR A 46 4.844 9.256 -10.569 1.00 25.00 C ATOM 740 C TYR A 46 5.582 9.998 -9.456 1.00 25.00 C ATOM 741 O TYR A 46 5.258 9.850 -8.291 1.00 25.00 O ATOM 742 CB TYR A 46 5.597 7.999 -10.941 1.00 25.00 C ATOM 743 CG TYR A 46 5.486 6.914 -9.888 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.215 6.482 -9.434 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.657 6.301 -9.298 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.102 5.461 -8.412 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.542 5.314 -8.274 1.00 25.00 C ATOM 748 CZ TYR A 46 5.257 4.911 -7.843 1.00 25.00 C ATOM 749 OH TYR A 46 5.155 4.004 -6.854 1.00 25.00 O ATOM 0 H TYR A 46 5.061 9.691 -12.605 1.00 25.00 H new ATOM 0 HA TYR A 46 3.858 9.004 -10.179 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.215 7.619 -11.889 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.648 8.243 -11.095 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.321 6.918 -9.854 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.638 6.597 -9.640 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.128 5.125 -8.089 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.427 4.879 -7.833 1.00 25.00 H new ATOM 0 HH TYR A 46 4.759 3.179 -7.206 1.00 25.00 H new ATOM 759 N GLN A 47 6.555 10.832 -9.818 1.00 25.00 N ATOM 760 CA GLN A 47 7.340 11.619 -8.861 1.00 25.00 C ATOM 761 C GLN A 47 6.418 12.669 -8.213 1.00 25.00 C ATOM 762 O GLN A 47 6.478 12.914 -6.985 1.00 25.00 O ATOM 763 CB GLN A 47 8.502 12.334 -9.598 1.00 25.00 C ATOM 764 CG GLN A 47 9.529 11.395 -10.303 1.00 25.00 C ATOM 765 CD GLN A 47 10.606 12.181 -11.050 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.348 13.210 -11.628 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.815 11.671 -11.079 1.00 25.00 N ATOM 0 H GLN A 47 6.825 10.984 -10.790 1.00 25.00 H new ATOM 0 HA GLN A 47 7.756 10.963 -8.096 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.077 13.005 -10.345 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.037 12.955 -8.880 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.000 10.751 -9.561 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.004 10.744 -11.003 1.00 25.00 H new ATOM 0 HE21 GLN A 47 12.014 10.801 -10.585 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.556 12.145 -11.596 1.00 25.00 H new ATOM 776 N GLN A 48 5.554 13.259 -9.031 1.00 25.00 N ATOM 777 CA GLN A 48 4.614 14.298 -8.551 1.00 25.00 C ATOM 778 C GLN A 48 3.619 13.657 -7.562 1.00 25.00 C ATOM 779 O GLN A 48 3.259 14.221 -6.544 1.00 25.00 O ATOM 780 CB GLN A 48 3.854 14.870 -9.748 1.00 25.00 C ATOM 781 CG GLN A 48 3.067 16.120 -9.424 1.00 25.00 C ATOM 782 CD GLN A 48 2.369 16.668 -10.641 1.00 25.00 C ATOM 783 OE1 GLN A 48 1.273 16.294 -10.978 1.00 25.00 O ATOM 784 NE2 GLN A 48 2.984 17.617 -11.294 1.00 25.00 N ATOM 0 H GLN A 48 5.475 13.046 -10.025 1.00 25.00 H new ATOM 0 HA GLN A 48 5.160 15.097 -8.050 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.563 15.094 -10.545 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.172 14.111 -10.132 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.331 15.897 -8.652 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.737 16.877 -9.017 1.00 25.00 H new ATOM 0 HE21 GLN A 48 3.911 17.923 -10.997 1.00 25.00 H new ATOM 0 HE22 GLN A 48 2.538 18.053 -12.101 1.00 25.00 H new ATOM 793 N TYR A 49 3.172 12.478 -7.879 1.00 25.00 N ATOM 794 CA TYR A 49 2.187 11.808 -7.013 1.00 25.00 C ATOM 795 C TYR A 49 2.871 11.466 -5.708 1.00 25.00 C ATOM 796 O TYR A 49 2.358 11.732 -4.602 1.00 25.00 O ATOM 797 CB TYR A 49 1.731 10.542 -7.711 1.00 25.00 C ATOM 798 CG TYR A 49 0.493 10.002 -7.089 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.747 10.652 -7.268 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.544 8.831 -6.339 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.931 10.115 -6.681 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.633 8.288 -5.753 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.841 8.912 -5.931 1.00 25.00 C ATOM 804 OH TYR A 49 -2.941 8.329 -5.380 1.00 25.00 O ATOM 0 H TYR A 49 3.452 11.952 -8.707 1.00 25.00 H new ATOM 0 HA TYR A 49 1.325 12.445 -6.818 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.551 10.750 -8.766 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.521 9.793 -7.664 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.800 11.559 -7.852 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.489 8.328 -6.200 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.880 10.615 -6.805 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.575 7.383 -5.167 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.676 7.513 -4.906 1.00 25.00 H new ATOM 814 N MET A 50 4.096 10.967 -5.824 1.00 25.00 N ATOM 815 CA MET A 50 4.931 10.657 -4.642 1.00 25.00 C ATOM 816 C MET A 50 5.196 11.837 -3.776 1.00 25.00 C ATOM 817 O MET A 50 5.123 11.738 -2.561 1.00 25.00 O ATOM 818 CB MET A 50 6.247 10.056 -5.062 1.00 25.00 C ATOM 819 CG MET A 50 6.642 8.868 -4.240 1.00 25.00 C ATOM 820 SD MET A 50 6.336 7.364 -5.167 1.00 25.00 S ATOM 821 CE MET A 50 4.556 7.029 -4.829 1.00 25.00 C ATOM 0 H MET A 50 4.544 10.764 -6.718 1.00 25.00 H new ATOM 0 HA MET A 50 4.354 9.942 -4.056 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.187 9.761 -6.110 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.026 10.815 -4.989 1.00 25.00 H new ATOM 0 HG2 MET A 50 7.697 8.933 -3.972 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.077 8.854 -3.308 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.251 6.121 -5.350 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.407 6.899 -3.757 1.00 25.00 H new ATOM 0 HE3 MET A 50 3.955 7.868 -5.180 1.00 25.00 H new