USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 331 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 Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -164:sc= 1.32 (180deg=0.995) USER MOD Single : A 173 GLN : amide:sc= -0.0967 X(o=-0.097,f=-0.031) USER MOD Single : A 181 GLN : amide:sc= -0.684 K(o=-0.68,f=-0.12) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0.828) USER MOD Single : A 189 LYS NZ :NH3+ 165:sc= -0.0604 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -2.230 -26.901 -0.692 1.00 0.00 N ATOM 2 CA GLY A 149 -1.442 -27.009 0.532 1.00 0.00 C ATOM 3 C GLY A 149 -0.977 -25.656 1.007 1.00 0.00 C ATOM 4 O GLY A 149 -1.796 -24.735 1.120 1.00 0.00 O ATOM 0 HA2 GLY A 149 -2.039 -27.484 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -0.579 -27.651 0.356 1.00 0.00 H new ATOM 10 N PRO A 150 0.348 -25.479 1.259 1.00 0.00 N ATOM 11 CA PRO A 150 0.924 -24.203 1.747 1.00 0.00 C ATOM 12 C PRO A 150 0.646 -23.006 0.816 1.00 0.00 C ATOM 13 O PRO A 150 0.732 -21.836 1.237 1.00 0.00 O ATOM 14 CB PRO A 150 2.428 -24.485 1.809 1.00 0.00 C ATOM 15 CG PRO A 150 2.530 -25.965 1.932 1.00 0.00 C ATOM 16 CD PRO A 150 1.393 -26.521 1.127 1.00 0.00 C ATOM 0 HA PRO A 150 0.482 -23.916 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 150 2.935 -24.126 0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 150 2.890 -23.984 2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 150 3.488 -26.324 1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 150 2.460 -26.277 2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 150 1.675 -26.679 0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 150 1.056 -27.482 1.516 1.00 0.00 H new ATOM 24 N GLY A 151 0.331 -23.298 -0.435 1.00 0.00 N ATOM 25 CA GLY A 151 -0.009 -22.267 -1.379 1.00 0.00 C ATOM 26 C GLY A 151 -1.354 -21.657 -1.061 1.00 0.00 C ATOM 27 O GLY A 151 -2.392 -22.315 -1.179 1.00 0.00 O ATOM 0 H GLY A 151 0.306 -24.245 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 151 0.757 -21.492 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -0.025 -22.683 -2.386 1.00 0.00 H new ATOM 31 N SER A 152 -1.334 -20.427 -0.646 1.00 0.00 N ATOM 32 CA SER A 152 -2.524 -19.722 -0.263 1.00 0.00 C ATOM 33 C SER A 152 -2.794 -18.559 -1.222 1.00 0.00 C ATOM 34 O SER A 152 -3.599 -17.694 -0.946 1.00 0.00 O ATOM 35 CB SER A 152 -2.351 -19.220 1.182 1.00 0.00 C ATOM 36 OG SER A 152 -1.143 -18.447 1.326 1.00 0.00 O ATOM 0 H SER A 152 -0.480 -19.875 -0.562 1.00 0.00 H new ATOM 0 HA SER A 152 -3.384 -20.390 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 152 -3.210 -18.612 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 152 -2.325 -20.070 1.864 1.00 0.00 H new ATOM 0 HG SER A 152 -1.060 -18.140 2.253 1.00 0.00 H new ATOM 42 N GLU A 153 -2.150 -18.567 -2.361 1.00 0.00 N ATOM 43 CA GLU A 153 -2.296 -17.473 -3.292 1.00 0.00 C ATOM 44 C GLU A 153 -3.485 -17.760 -4.203 1.00 0.00 C ATOM 45 O GLU A 153 -4.570 -17.225 -4.014 1.00 0.00 O ATOM 46 CB GLU A 153 -0.970 -17.295 -4.092 1.00 0.00 C ATOM 47 CG GLU A 153 -0.792 -15.985 -4.891 1.00 0.00 C ATOM 48 CD GLU A 153 -1.724 -15.807 -6.074 1.00 0.00 C ATOM 49 OE1 GLU A 153 -1.701 -16.641 -7.002 1.00 0.00 O ATOM 50 OE2 GLU A 153 -2.467 -14.808 -6.115 1.00 0.00 O ATOM 0 H GLU A 153 -1.524 -19.312 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 153 -2.490 -16.537 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -0.140 -17.377 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -0.882 -18.129 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -0.932 -15.144 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 153 0.236 -15.937 -5.251 1.00 0.00 H new ATOM 57 N ASP A 154 -3.303 -18.700 -5.090 1.00 0.00 N ATOM 58 CA ASP A 154 -4.282 -19.003 -6.128 1.00 0.00 C ATOM 59 C ASP A 154 -5.480 -19.750 -5.577 1.00 0.00 C ATOM 60 O ASP A 154 -6.629 -19.474 -5.929 1.00 0.00 O ATOM 61 CB ASP A 154 -3.620 -19.844 -7.217 1.00 0.00 C ATOM 62 CG ASP A 154 -4.514 -20.064 -8.403 1.00 0.00 C ATOM 63 OD1 ASP A 154 -4.500 -19.221 -9.314 1.00 0.00 O ATOM 64 OD2 ASP A 154 -5.224 -21.091 -8.470 1.00 0.00 O ATOM 0 H ASP A 154 -2.470 -19.288 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 154 -4.637 -18.057 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -2.704 -19.352 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -3.332 -20.809 -6.800 1.00 0.00 H new ATOM 69 N ASP A 155 -5.204 -20.669 -4.692 1.00 0.00 N ATOM 70 CA ASP A 155 -6.224 -21.553 -4.144 1.00 0.00 C ATOM 71 C ASP A 155 -7.134 -20.859 -3.135 1.00 0.00 C ATOM 72 O ASP A 155 -8.322 -21.182 -3.025 1.00 0.00 O ATOM 73 CB ASP A 155 -5.568 -22.779 -3.520 1.00 0.00 C ATOM 74 CG ASP A 155 -6.559 -23.724 -2.879 1.00 0.00 C ATOM 75 OD1 ASP A 155 -7.229 -24.490 -3.601 1.00 0.00 O ATOM 76 OD2 ASP A 155 -6.664 -23.733 -1.634 1.00 0.00 O ATOM 0 H ASP A 155 -4.268 -20.835 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 155 -6.862 -21.860 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -5.010 -23.315 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -4.847 -22.455 -2.769 1.00 0.00 H new ATOM 81 N ASP A 156 -6.604 -19.889 -2.425 1.00 0.00 N ATOM 82 CA ASP A 156 -7.386 -19.205 -1.391 1.00 0.00 C ATOM 83 C ASP A 156 -8.335 -18.213 -2.026 1.00 0.00 C ATOM 84 O ASP A 156 -9.524 -18.195 -1.709 1.00 0.00 O ATOM 85 CB ASP A 156 -6.476 -18.476 -0.405 1.00 0.00 C ATOM 86 CG ASP A 156 -7.202 -17.944 0.822 1.00 0.00 C ATOM 87 OD1 ASP A 156 -8.010 -16.984 0.716 1.00 0.00 O ATOM 88 OD2 ASP A 156 -6.953 -18.468 1.934 1.00 0.00 O ATOM 0 H ASP A 156 -5.648 -19.551 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 156 -7.955 -19.960 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -5.687 -19.155 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -5.992 -17.645 -0.918 1.00 0.00 H new ATOM 93 N ILE A 157 -7.801 -17.410 -2.950 1.00 0.00 N ATOM 94 CA ILE A 157 -8.560 -16.353 -3.625 1.00 0.00 C ATOM 95 C ILE A 157 -9.811 -16.900 -4.318 1.00 0.00 C ATOM 96 O ILE A 157 -9.749 -17.861 -5.108 1.00 0.00 O ATOM 97 CB ILE A 157 -7.668 -15.558 -4.632 1.00 0.00 C ATOM 98 CG1 ILE A 157 -6.560 -14.808 -3.870 1.00 0.00 C ATOM 99 CG2 ILE A 157 -8.504 -14.585 -5.475 1.00 0.00 C ATOM 100 CD1 ILE A 157 -5.603 -14.030 -4.750 1.00 0.00 C ATOM 0 H ILE A 157 -6.829 -17.474 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 157 -8.890 -15.660 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 157 -7.208 -16.269 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -7.025 -14.119 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.989 -15.528 -3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -7.852 -14.048 -6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -9.251 -15.143 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -9.004 -13.872 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.858 -13.535 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -5.105 -14.713 -5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -6.157 -13.282 -5.318 1.00 0.00 H new ATOM 112 N ASP A 158 -10.930 -16.316 -3.987 1.00 0.00 N ATOM 113 CA ASP A 158 -12.202 -16.695 -4.546 1.00 0.00 C ATOM 114 C ASP A 158 -12.660 -15.557 -5.408 1.00 0.00 C ATOM 115 O ASP A 158 -12.618 -14.407 -4.974 1.00 0.00 O ATOM 116 CB ASP A 158 -13.224 -16.942 -3.438 1.00 0.00 C ATOM 117 CG ASP A 158 -14.510 -17.541 -3.960 1.00 0.00 C ATOM 118 OD1 ASP A 158 -14.582 -18.785 -4.079 1.00 0.00 O ATOM 119 OD2 ASP A 158 -15.468 -16.801 -4.237 1.00 0.00 O ATOM 0 H ASP A 158 -10.986 -15.553 -3.312 1.00 0.00 H new ATOM 0 HA ASP A 158 -12.104 -17.615 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -12.792 -17.610 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -13.444 -16.001 -2.934 1.00 0.00 H new ATOM 124 N LEU A 159 -13.066 -15.844 -6.612 1.00 0.00 N ATOM 125 CA LEU A 159 -13.463 -14.802 -7.537 1.00 0.00 C ATOM 126 C LEU A 159 -14.798 -14.179 -7.180 1.00 0.00 C ATOM 127 O LEU A 159 -15.047 -13.021 -7.518 1.00 0.00 O ATOM 128 CB LEU A 159 -13.444 -15.262 -9.009 1.00 0.00 C ATOM 129 CG LEU A 159 -12.062 -15.464 -9.670 1.00 0.00 C ATOM 130 CD1 LEU A 159 -11.299 -16.638 -9.074 1.00 0.00 C ATOM 131 CD2 LEU A 159 -12.209 -15.625 -11.170 1.00 0.00 C ATOM 0 H LEU A 159 -13.134 -16.791 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 159 -12.703 -14.027 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -13.991 -16.203 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -13.996 -14.530 -9.598 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.475 -14.569 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -10.335 -16.737 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.140 -16.466 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -11.874 -17.553 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.226 -15.766 -11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -12.833 -16.493 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -12.674 -14.732 -11.588 1.00 0.00 H new ATOM 143 N PHE A 160 -15.641 -14.906 -6.479 1.00 0.00 N ATOM 144 CA PHE A 160 -16.927 -14.370 -6.107 1.00 0.00 C ATOM 145 C PHE A 160 -16.767 -13.591 -4.814 1.00 0.00 C ATOM 146 O PHE A 160 -16.745 -12.357 -4.827 1.00 0.00 O ATOM 147 CB PHE A 160 -17.976 -15.495 -5.972 1.00 0.00 C ATOM 148 CG PHE A 160 -19.384 -15.033 -5.673 1.00 0.00 C ATOM 149 CD1 PHE A 160 -20.215 -14.614 -6.695 1.00 0.00 C ATOM 150 CD2 PHE A 160 -19.873 -15.024 -4.373 1.00 0.00 C ATOM 151 CE1 PHE A 160 -21.507 -14.198 -6.435 1.00 0.00 C ATOM 152 CE2 PHE A 160 -21.166 -14.610 -4.106 1.00 0.00 C ATOM 153 CZ PHE A 160 -21.983 -14.194 -5.138 1.00 0.00 C ATOM 0 H PHE A 160 -15.460 -15.858 -6.160 1.00 0.00 H new ATOM 0 HA PHE A 160 -17.290 -13.699 -6.885 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -17.989 -16.070 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -17.658 -16.173 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -19.849 -14.612 -7.711 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -19.237 -15.344 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -22.144 -13.876 -7.245 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -21.536 -14.612 -3.091 1.00 0.00 H new ATOM 0 HZ PHE A 160 -22.991 -13.866 -4.932 1.00 0.00 H new ATOM 163 N GLY A 161 -16.554 -14.313 -3.719 1.00 0.00 N ATOM 164 CA GLY A 161 -16.401 -13.716 -2.395 1.00 0.00 C ATOM 165 C GLY A 161 -17.678 -13.056 -1.855 1.00 0.00 C ATOM 166 O GLY A 161 -18.232 -13.474 -0.826 1.00 0.00 O ATOM 0 H GLY A 161 -16.482 -15.330 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -16.079 -14.487 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -15.607 -12.970 -2.434 1.00 0.00 H new ATOM 170 N SER A 162 -18.124 -12.049 -2.541 1.00 0.00 N ATOM 171 CA SER A 162 -19.283 -11.287 -2.196 1.00 0.00 C ATOM 172 C SER A 162 -20.031 -10.987 -3.496 1.00 0.00 C ATOM 173 O SER A 162 -19.778 -11.659 -4.499 1.00 0.00 O ATOM 174 CB SER A 162 -18.838 -9.984 -1.521 1.00 0.00 C ATOM 175 OG SER A 162 -18.027 -10.235 -0.374 1.00 0.00 O ATOM 0 H SER A 162 -17.670 -11.722 -3.394 1.00 0.00 H new ATOM 0 HA SER A 162 -19.931 -11.829 -1.507 1.00 0.00 H new ATOM 0 HB2 SER A 162 -18.282 -9.376 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 162 -19.716 -9.408 -1.227 1.00 0.00 H new ATOM 0 HG SER A 162 -17.760 -9.383 0.030 1.00 0.00 H new ATOM 181 N ASP A 163 -20.948 -10.009 -3.479 1.00 0.00 N ATOM 182 CA ASP A 163 -21.650 -9.570 -4.705 1.00 0.00 C ATOM 183 C ASP A 163 -20.598 -9.230 -5.757 1.00 0.00 C ATOM 184 O ASP A 163 -20.608 -9.744 -6.876 1.00 0.00 O ATOM 185 CB ASP A 163 -22.509 -8.350 -4.382 1.00 0.00 C ATOM 186 CG ASP A 163 -23.284 -7.828 -5.558 1.00 0.00 C ATOM 187 OD1 ASP A 163 -24.221 -8.491 -6.008 1.00 0.00 O ATOM 188 OD2 ASP A 163 -23.020 -6.705 -5.999 1.00 0.00 O ATOM 0 H ASP A 163 -21.224 -9.505 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 163 -22.302 -10.356 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -23.206 -8.608 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -21.867 -7.556 -4.000 1.00 0.00 H new ATOM 193 N ASN A 164 -19.715 -8.349 -5.378 1.00 0.00 N ATOM 194 CA ASN A 164 -18.471 -8.129 -6.079 1.00 0.00 C ATOM 195 C ASN A 164 -17.411 -8.078 -5.025 1.00 0.00 C ATOM 196 O ASN A 164 -16.638 -9.016 -4.853 1.00 0.00 O ATOM 197 CB ASN A 164 -18.447 -6.844 -6.943 1.00 0.00 C ATOM 198 CG ASN A 164 -19.339 -6.914 -8.166 1.00 0.00 C ATOM 199 OD1 ASN A 164 -20.488 -6.490 -8.142 1.00 0.00 O ATOM 200 ND2 ASN A 164 -18.827 -7.456 -9.234 1.00 0.00 N ATOM 0 H ASN A 164 -19.837 -7.751 -4.560 1.00 0.00 H new ATOM 0 HA ASN A 164 -18.316 -8.936 -6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -18.754 -5.998 -6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -17.423 -6.651 -7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -19.386 -7.537 -10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -17.867 -7.799 -9.221 1.00 0.00 H new ATOM 207 N GLU A 165 -17.458 -6.990 -4.276 1.00 0.00 N ATOM 208 CA GLU A 165 -16.652 -6.700 -3.110 1.00 0.00 C ATOM 209 C GLU A 165 -16.843 -5.208 -2.890 1.00 0.00 C ATOM 210 O GLU A 165 -16.965 -4.463 -3.867 1.00 0.00 O ATOM 211 CB GLU A 165 -15.154 -7.009 -3.312 1.00 0.00 C ATOM 212 CG GLU A 165 -14.466 -7.570 -2.057 1.00 0.00 C ATOM 213 CD GLU A 165 -14.646 -6.693 -0.841 1.00 0.00 C ATOM 214 OE1 GLU A 165 -15.657 -6.841 -0.134 1.00 0.00 O ATOM 215 OE2 GLU A 165 -13.823 -5.814 -0.615 1.00 0.00 O ATOM 0 H GLU A 165 -18.109 -6.233 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 165 -16.959 -7.318 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -15.046 -7.726 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -14.642 -6.097 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -14.864 -8.562 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -13.401 -7.690 -2.257 1.00 0.00 H new ATOM 222 N GLU A 166 -16.886 -4.789 -1.662 1.00 0.00 N ATOM 223 CA GLU A 166 -17.161 -3.404 -1.320 1.00 0.00 C ATOM 224 C GLU A 166 -15.934 -2.506 -1.569 1.00 0.00 C ATOM 225 O GLU A 166 -16.003 -1.521 -2.309 1.00 0.00 O ATOM 226 CB GLU A 166 -17.630 -3.347 0.154 1.00 0.00 C ATOM 227 CG GLU A 166 -16.635 -3.961 1.144 1.00 0.00 C ATOM 228 CD GLU A 166 -17.198 -4.216 2.496 1.00 0.00 C ATOM 229 OE1 GLU A 166 -17.145 -3.324 3.362 1.00 0.00 O ATOM 230 OE2 GLU A 166 -17.665 -5.340 2.732 1.00 0.00 O ATOM 0 H GLU A 166 -16.732 -5.393 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 166 -17.952 -3.018 -1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -17.807 -2.307 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -18.584 -3.867 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -16.265 -4.901 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -15.777 -3.295 1.240 1.00 0.00 H new ATOM 237 N GLU A 167 -14.842 -2.863 -0.955 1.00 0.00 N ATOM 238 CA GLU A 167 -13.594 -2.156 -1.044 1.00 0.00 C ATOM 239 C GLU A 167 -12.776 -2.709 -2.183 1.00 0.00 C ATOM 240 O GLU A 167 -11.996 -1.999 -2.827 1.00 0.00 O ATOM 241 CB GLU A 167 -12.855 -2.355 0.280 1.00 0.00 C ATOM 242 CG GLU A 167 -11.476 -1.737 0.365 1.00 0.00 C ATOM 243 CD GLU A 167 -10.868 -1.945 1.718 1.00 0.00 C ATOM 244 OE1 GLU A 167 -10.234 -2.998 1.955 1.00 0.00 O ATOM 245 OE2 GLU A 167 -11.019 -1.060 2.590 1.00 0.00 O ATOM 0 H GLU A 167 -14.794 -3.687 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 167 -13.763 -1.095 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -13.467 -1.942 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -12.765 -3.425 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -10.831 -2.175 -0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -11.540 -0.670 0.153 1.00 0.00 H new ATOM 252 N ASP A 168 -13.002 -3.981 -2.414 1.00 0.00 N ATOM 253 CA ASP A 168 -12.211 -4.847 -3.260 1.00 0.00 C ATOM 254 C ASP A 168 -10.967 -5.114 -2.483 1.00 0.00 C ATOM 255 O ASP A 168 -9.861 -4.657 -2.804 1.00 0.00 O ATOM 256 CB ASP A 168 -11.918 -4.326 -4.683 1.00 0.00 C ATOM 257 CG ASP A 168 -11.288 -5.389 -5.586 1.00 0.00 C ATOM 258 OD1 ASP A 168 -10.725 -6.397 -5.080 1.00 0.00 O ATOM 259 OD2 ASP A 168 -11.351 -5.231 -6.827 1.00 0.00 O ATOM 0 H ASP A 168 -13.791 -4.470 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.780 -5.750 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -12.846 -3.976 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.250 -3.467 -4.620 1.00 0.00 H new ATOM 264 N LYS A 169 -11.189 -5.755 -1.357 1.00 0.00 N ATOM 265 CA LYS A 169 -10.160 -6.067 -0.414 1.00 0.00 C ATOM 266 C LYS A 169 -9.179 -7.085 -0.986 1.00 0.00 C ATOM 267 O LYS A 169 -8.062 -7.232 -0.485 1.00 0.00 O ATOM 268 CB LYS A 169 -10.783 -6.534 0.909 1.00 0.00 C ATOM 269 CG LYS A 169 -9.786 -6.703 2.046 1.00 0.00 C ATOM 270 CD LYS A 169 -10.460 -7.054 3.366 1.00 0.00 C ATOM 271 CE LYS A 169 -11.396 -5.946 3.866 1.00 0.00 C ATOM 272 NZ LYS A 169 -10.698 -4.643 4.056 1.00 0.00 N ATOM 0 H LYS A 169 -12.114 -6.077 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.583 -5.165 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.544 -5.815 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.291 -7.484 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.073 -7.486 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.217 -5.781 2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.028 -7.977 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.696 -7.246 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -12.211 -5.816 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -11.844 -6.254 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -11.288 -4.015 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -9.788 -4.803 4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -10.531 -4.200 3.130 1.00 0.00 H new ATOM 286 N GLU A 170 -9.573 -7.736 -2.064 1.00 0.00 N ATOM 287 CA GLU A 170 -8.714 -8.676 -2.722 1.00 0.00 C ATOM 288 C GLU A 170 -7.637 -7.898 -3.478 1.00 0.00 C ATOM 289 O GLU A 170 -6.431 -8.196 -3.368 1.00 0.00 O ATOM 290 CB GLU A 170 -9.513 -9.590 -3.653 1.00 0.00 C ATOM 291 CG GLU A 170 -8.728 -10.796 -4.131 1.00 0.00 C ATOM 292 CD GLU A 170 -8.254 -11.644 -2.975 1.00 0.00 C ATOM 293 OE1 GLU A 170 -7.237 -11.301 -2.356 1.00 0.00 O ATOM 294 OE2 GLU A 170 -8.903 -12.637 -2.635 1.00 0.00 O ATOM 0 H GLU A 170 -10.490 -7.624 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 170 -8.238 -9.324 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -10.409 -9.931 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.845 -9.015 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -9.351 -11.398 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -7.870 -10.464 -4.715 1.00 0.00 H new ATOM 301 N ALA A 171 -8.062 -6.865 -4.209 1.00 0.00 N ATOM 302 CA ALA A 171 -7.125 -5.986 -4.878 1.00 0.00 C ATOM 303 C ALA A 171 -6.334 -5.208 -3.838 1.00 0.00 C ATOM 304 O ALA A 171 -5.143 -4.947 -4.010 1.00 0.00 O ATOM 305 CB ALA A 171 -7.835 -5.034 -5.828 1.00 0.00 C ATOM 0 H ALA A 171 -9.044 -6.625 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.445 -6.594 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.102 -4.389 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.370 -5.607 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.542 -4.422 -5.268 1.00 0.00 H new ATOM 311 N ALA A 172 -7.002 -4.873 -2.739 1.00 0.00 N ATOM 312 CA ALA A 172 -6.372 -4.174 -1.633 1.00 0.00 C ATOM 313 C ALA A 172 -5.243 -5.010 -1.037 1.00 0.00 C ATOM 314 O ALA A 172 -4.185 -4.489 -0.701 1.00 0.00 O ATOM 315 CB ALA A 172 -7.387 -3.811 -0.563 1.00 0.00 C ATOM 0 H ALA A 172 -7.990 -5.079 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.948 -3.249 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.886 -3.289 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.152 -3.164 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.852 -4.719 -0.180 1.00 0.00 H new ATOM 321 N GLN A 173 -5.464 -6.317 -0.951 1.00 0.00 N ATOM 322 CA GLN A 173 -4.460 -7.226 -0.433 1.00 0.00 C ATOM 323 C GLN A 173 -3.229 -7.215 -1.324 1.00 0.00 C ATOM 324 O GLN A 173 -2.119 -6.935 -0.850 1.00 0.00 O ATOM 325 CB GLN A 173 -5.006 -8.660 -0.288 1.00 0.00 C ATOM 326 CG GLN A 173 -3.984 -9.644 0.280 1.00 0.00 C ATOM 327 CD GLN A 173 -4.513 -11.056 0.508 1.00 0.00 C ATOM 328 OE1 GLN A 173 -4.049 -11.757 1.407 1.00 0.00 O ATOM 329 NE2 GLN A 173 -5.448 -11.497 -0.283 1.00 0.00 N ATOM 0 H GLN A 173 -6.334 -6.767 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.183 -6.879 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.882 -8.643 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.338 -9.015 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.133 -9.695 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.612 -9.253 1.227 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -5.817 -10.897 -1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.812 -12.442 -0.165 1.00 0.00 H new ATOM 338 N LEU A 174 -3.436 -7.442 -2.624 1.00 0.00 N ATOM 339 CA LEU A 174 -2.334 -7.513 -3.568 1.00 0.00 C ATOM 340 C LEU A 174 -1.584 -6.183 -3.701 1.00 0.00 C ATOM 341 O LEU A 174 -0.362 -6.171 -3.813 1.00 0.00 O ATOM 342 CB LEU A 174 -2.784 -8.100 -4.933 1.00 0.00 C ATOM 343 CG LEU A 174 -3.871 -7.354 -5.723 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.299 -6.225 -6.581 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.691 -8.322 -6.553 1.00 0.00 C ATOM 0 H LEU A 174 -4.357 -7.579 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.607 -8.213 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.902 -8.175 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.138 -9.116 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.532 -6.882 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.108 -5.730 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.793 -5.502 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.587 -6.637 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.454 -7.773 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.039 -8.841 -7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.170 -9.049 -5.897 1.00 0.00 H new ATOM 357 N ARG A 175 -2.306 -5.063 -3.636 1.00 0.00 N ATOM 358 CA ARG A 175 -1.670 -3.764 -3.754 1.00 0.00 C ATOM 359 C ARG A 175 -0.804 -3.470 -2.518 1.00 0.00 C ATOM 360 O ARG A 175 0.290 -2.914 -2.636 1.00 0.00 O ATOM 361 CB ARG A 175 -2.692 -2.637 -3.980 1.00 0.00 C ATOM 362 CG ARG A 175 -3.504 -2.320 -2.776 1.00 0.00 C ATOM 363 CD ARG A 175 -4.523 -1.265 -3.023 1.00 0.00 C ATOM 364 NE ARG A 175 -5.221 -0.936 -1.779 1.00 0.00 N ATOM 365 CZ ARG A 175 -6.374 -0.278 -1.677 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.056 0.058 -2.765 1.00 0.00 N ATOM 367 NH2 ARG A 175 -6.856 0.030 -0.478 1.00 0.00 N ATOM 0 H ARG A 175 -3.317 -5.035 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.027 -3.798 -4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.164 -1.738 -4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.359 -2.921 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.003 -3.226 -2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -2.842 -1.997 -1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.043 -0.373 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -5.238 -1.608 -3.770 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.783 -1.239 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.698 -0.188 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -7.939 0.562 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -6.343 -0.238 0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -7.739 0.534 -0.397 1.00 0.00 H new ATOM 381 N GLU A 176 -1.289 -3.867 -1.345 1.00 0.00 N ATOM 382 CA GLU A 176 -0.578 -3.642 -0.103 1.00 0.00 C ATOM 383 C GLU A 176 0.628 -4.534 0.020 1.00 0.00 C ATOM 384 O GLU A 176 1.706 -4.062 0.386 1.00 0.00 O ATOM 385 CB GLU A 176 -1.499 -3.775 1.116 1.00 0.00 C ATOM 386 CG GLU A 176 -2.046 -2.446 1.642 1.00 0.00 C ATOM 387 CD GLU A 176 -2.754 -1.607 0.602 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.081 -0.876 -0.145 1.00 0.00 O ATOM 389 OE2 GLU A 176 -4.007 -1.618 0.552 1.00 0.00 O ATOM 0 H GLU A 176 -2.181 -4.350 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.220 -2.613 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.337 -4.421 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.952 -4.272 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -2.738 -2.650 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -1.222 -1.867 2.059 1.00 0.00 H new ATOM 396 N GLU A 177 0.475 -5.805 -0.331 1.00 0.00 N ATOM 397 CA GLU A 177 1.589 -6.732 -0.235 1.00 0.00 C ATOM 398 C GLU A 177 2.683 -6.366 -1.219 1.00 0.00 C ATOM 399 O GLU A 177 3.860 -6.373 -0.862 1.00 0.00 O ATOM 400 CB GLU A 177 1.158 -8.199 -0.390 1.00 0.00 C ATOM 401 CG GLU A 177 0.439 -8.503 -1.673 1.00 0.00 C ATOM 402 CD GLU A 177 0.014 -9.935 -1.784 1.00 0.00 C ATOM 403 OE1 GLU A 177 -1.077 -10.292 -1.308 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.753 -10.737 -2.373 1.00 0.00 O ATOM 0 H GLU A 177 -0.394 -6.210 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 177 1.992 -6.639 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 177 2.042 -8.833 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 177 0.512 -8.465 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.440 -7.863 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 177 1.088 -8.257 -2.513 1.00 0.00 H new ATOM 411 N ARG A 178 2.305 -5.974 -2.448 1.00 0.00 N ATOM 412 CA ARG A 178 3.312 -5.611 -3.415 1.00 0.00 C ATOM 413 C ARG A 178 3.973 -4.290 -3.054 1.00 0.00 C ATOM 414 O ARG A 178 5.099 -4.061 -3.406 1.00 0.00 O ATOM 415 CB ARG A 178 2.819 -5.615 -4.871 1.00 0.00 C ATOM 416 CG ARG A 178 1.885 -4.492 -5.278 1.00 0.00 C ATOM 417 CD ARG A 178 1.591 -4.601 -6.756 1.00 0.00 C ATOM 418 NE ARG A 178 0.797 -3.493 -7.282 1.00 0.00 N ATOM 419 CZ ARG A 178 0.668 -3.226 -8.587 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.337 -3.948 -9.486 1.00 0.00 N ATOM 421 NH2 ARG A 178 -0.117 -2.228 -8.985 1.00 0.00 N ATOM 0 H ARG A 178 1.340 -5.907 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 178 4.062 -6.400 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.690 -5.586 -5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.313 -6.562 -5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.959 -4.548 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.339 -3.526 -5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.533 -4.652 -7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 178 1.063 -5.536 -6.944 1.00 0.00 H new ATOM 0 HE ARG A 178 0.314 -2.889 -6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.948 -4.705 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 178 1.238 -3.743 -10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -0.619 -1.668 -8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.217 -2.023 -9.979 1.00 0.00 H new ATOM 435 N LEU A 179 3.270 -3.427 -2.337 1.00 0.00 N ATOM 436 CA LEU A 179 3.864 -2.173 -1.882 1.00 0.00 C ATOM 437 C LEU A 179 4.892 -2.505 -0.807 1.00 0.00 C ATOM 438 O LEU A 179 6.053 -2.105 -0.898 1.00 0.00 O ATOM 439 CB LEU A 179 2.757 -1.220 -1.341 1.00 0.00 C ATOM 440 CG LEU A 179 3.137 0.254 -1.010 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.877 1.065 -0.809 1.00 0.00 C ATOM 442 CD2 LEU A 179 3.993 0.370 0.251 1.00 0.00 C ATOM 0 H LEU A 179 2.299 -3.566 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 179 4.356 -1.656 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 179 1.952 -1.197 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.349 -1.668 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 179 3.720 0.630 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 179 2.141 2.097 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 179 1.279 1.040 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.301 0.644 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 179 4.229 1.418 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.444 -0.033 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 179 4.917 -0.192 0.116 1.00 0.00 H new ATOM 454 N ARG A 180 4.441 -3.288 0.168 1.00 0.00 N ATOM 455 CA ARG A 180 5.218 -3.736 1.325 1.00 0.00 C ATOM 456 C ARG A 180 6.552 -4.338 0.860 1.00 0.00 C ATOM 457 O ARG A 180 7.641 -3.810 1.172 1.00 0.00 O ATOM 458 CB ARG A 180 4.342 -4.794 2.062 1.00 0.00 C ATOM 459 CG ARG A 180 4.714 -5.249 3.494 1.00 0.00 C ATOM 460 CD ARG A 180 6.004 -6.057 3.605 1.00 0.00 C ATOM 461 NE ARG A 180 7.172 -5.217 3.885 1.00 0.00 N ATOM 462 CZ ARG A 180 8.439 -5.643 3.928 1.00 0.00 C ATOM 463 NH1 ARG A 180 8.752 -6.886 3.567 1.00 0.00 N ATOM 464 NH2 ARG A 180 9.394 -4.812 4.310 1.00 0.00 N ATOM 0 H ARG A 180 3.485 -3.644 0.176 1.00 0.00 H new ATOM 0 HA ARG A 180 5.460 -2.911 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 180 3.326 -4.402 2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 180 4.316 -5.686 1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 180 4.802 -4.366 4.127 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.894 -5.847 3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 180 5.897 -6.799 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 180 6.168 -6.603 2.676 1.00 0.00 H new ATOM 0 HE ARG A 180 7.005 -4.226 4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 180 8.022 -7.525 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 180 9.722 -7.199 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 180 9.162 -3.853 4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 180 10.363 -5.130 4.345 1.00 0.00 H new ATOM 478 N GLN A 181 6.457 -5.387 0.061 1.00 0.00 N ATOM 479 CA GLN A 181 7.619 -6.127 -0.386 1.00 0.00 C ATOM 480 C GLN A 181 8.523 -5.300 -1.301 1.00 0.00 C ATOM 481 O GLN A 181 9.739 -5.317 -1.139 1.00 0.00 O ATOM 482 CB GLN A 181 7.190 -7.411 -1.107 1.00 0.00 C ATOM 483 CG GLN A 181 6.368 -7.152 -2.357 1.00 0.00 C ATOM 484 CD GLN A 181 5.954 -8.385 -3.113 1.00 0.00 C ATOM 485 OE1 GLN A 181 5.814 -8.345 -4.334 1.00 0.00 O ATOM 486 NE2 GLN A 181 5.714 -9.464 -2.418 1.00 0.00 N ATOM 0 H GLN A 181 5.572 -5.748 -0.295 1.00 0.00 H new ATOM 0 HA GLN A 181 8.194 -6.379 0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.078 -7.982 -1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.610 -8.028 -0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.472 -6.598 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.943 -6.510 -3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.842 -9.458 -1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 181 5.399 -10.313 -2.887 1.00 0.00 H new ATOM 495 N TYR A 182 7.922 -4.545 -2.217 1.00 0.00 N ATOM 496 CA TYR A 182 8.672 -3.835 -3.251 1.00 0.00 C ATOM 497 C TYR A 182 9.411 -2.647 -2.683 1.00 0.00 C ATOM 498 O TYR A 182 10.455 -2.255 -3.200 1.00 0.00 O ATOM 499 CB TYR A 182 7.754 -3.422 -4.392 1.00 0.00 C ATOM 500 CG TYR A 182 8.449 -3.052 -5.672 1.00 0.00 C ATOM 501 CD1 TYR A 182 9.097 -4.018 -6.414 1.00 0.00 C ATOM 502 CD2 TYR A 182 8.431 -1.759 -6.156 1.00 0.00 C ATOM 503 CE1 TYR A 182 9.714 -3.713 -7.602 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.049 -1.444 -7.345 1.00 0.00 C ATOM 505 CZ TYR A 182 9.689 -2.428 -8.064 1.00 0.00 C ATOM 506 OH TYR A 182 10.318 -2.117 -9.254 1.00 0.00 O ATOM 0 H TYR A 182 6.912 -4.408 -2.265 1.00 0.00 H new ATOM 0 HA TYR A 182 9.421 -4.519 -3.650 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.064 -4.241 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.154 -2.573 -4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 182 9.119 -5.036 -6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.926 -0.986 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 182 10.216 -4.484 -8.167 1.00 0.00 H new ATOM 0 HE2 TYR A 182 9.032 -0.429 -7.712 1.00 0.00 H new ATOM 0 HH TYR A 182 10.207 -1.162 -9.443 1.00 0.00 H new ATOM 516 N ALA A 183 8.888 -2.089 -1.613 1.00 0.00 N ATOM 517 CA ALA A 183 9.562 -1.010 -0.928 1.00 0.00 C ATOM 518 C ALA A 183 10.862 -1.535 -0.342 1.00 0.00 C ATOM 519 O ALA A 183 11.913 -0.897 -0.445 1.00 0.00 O ATOM 520 CB ALA A 183 8.671 -0.441 0.158 1.00 0.00 C ATOM 0 H ALA A 183 7.998 -2.365 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 183 9.785 -0.207 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.191 0.371 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.752 -0.061 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.429 -1.223 0.877 1.00 0.00 H new ATOM 526 N GLU A 184 10.787 -2.740 0.205 1.00 0.00 N ATOM 527 CA GLU A 184 11.934 -3.414 0.782 1.00 0.00 C ATOM 528 C GLU A 184 12.883 -3.903 -0.327 1.00 0.00 C ATOM 529 O GLU A 184 14.088 -4.032 -0.122 1.00 0.00 O ATOM 530 CB GLU A 184 11.450 -4.562 1.662 1.00 0.00 C ATOM 531 CG GLU A 184 12.534 -5.342 2.376 1.00 0.00 C ATOM 532 CD GLU A 184 11.963 -6.381 3.289 1.00 0.00 C ATOM 533 OE1 GLU A 184 11.476 -7.432 2.800 1.00 0.00 O ATOM 534 OE2 GLU A 184 11.946 -6.158 4.516 1.00 0.00 O ATOM 0 H GLU A 184 9.922 -3.278 0.260 1.00 0.00 H new ATOM 0 HA GLU A 184 12.499 -2.719 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.765 -4.160 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.877 -5.253 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 184 13.181 -5.820 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 184 13.157 -4.656 2.951 1.00 0.00 H new ATOM 541 N LYS A 185 12.326 -4.177 -1.503 1.00 0.00 N ATOM 542 CA LYS A 185 13.120 -4.540 -2.670 1.00 0.00 C ATOM 543 C LYS A 185 14.008 -3.362 -3.068 1.00 0.00 C ATOM 544 O LYS A 185 15.141 -3.545 -3.535 1.00 0.00 O ATOM 545 CB LYS A 185 12.209 -4.903 -3.844 1.00 0.00 C ATOM 546 CG LYS A 185 11.330 -6.129 -3.636 1.00 0.00 C ATOM 547 CD LYS A 185 12.126 -7.417 -3.581 1.00 0.00 C ATOM 548 CE LYS A 185 11.205 -8.623 -3.472 1.00 0.00 C ATOM 549 NZ LYS A 185 11.955 -9.893 -3.394 1.00 0.00 N ATOM 0 H LYS A 185 11.320 -4.154 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 185 13.737 -5.403 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 185 11.567 -4.049 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 185 12.829 -5.067 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 185 10.767 -6.015 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 185 10.602 -6.191 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 185 12.743 -7.506 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 185 12.803 -7.394 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 185 10.577 -8.519 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 185 10.539 -8.649 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 11.287 -10.687 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 12.535 -10.007 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.572 -9.881 -2.557 1.00 0.00 H new ATOM 563 N LYS A 186 13.490 -2.159 -2.875 1.00 0.00 N ATOM 564 CA LYS A 186 14.225 -0.949 -3.175 1.00 0.00 C ATOM 565 C LYS A 186 15.206 -0.621 -2.065 1.00 0.00 C ATOM 566 O LYS A 186 16.413 -0.562 -2.295 1.00 0.00 O ATOM 567 CB LYS A 186 13.287 0.239 -3.399 1.00 0.00 C ATOM 568 CG LYS A 186 12.413 0.121 -4.627 1.00 0.00 C ATOM 569 CD LYS A 186 11.531 1.343 -4.790 1.00 0.00 C ATOM 570 CE LYS A 186 10.701 1.253 -6.052 1.00 0.00 C ATOM 571 NZ LYS A 186 9.829 2.427 -6.231 1.00 0.00 N ATOM 0 H LYS A 186 12.552 -1.998 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 186 14.777 -1.131 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.648 0.353 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 186 13.884 1.148 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 186 13.038 -0.000 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 186 11.792 -0.772 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 186 10.874 1.439 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 186 12.150 2.240 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 186 11.362 1.159 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 186 10.090 0.351 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 9.280 2.321 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 9.179 2.503 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 10.412 3.287 -6.289 1.00 0.00 H new ATOM 585 N ALA A 187 14.703 -0.437 -0.867 1.00 0.00 N ATOM 586 CA ALA A 187 15.539 -0.055 0.245 1.00 0.00 C ATOM 587 C ALA A 187 15.185 -0.848 1.474 1.00 0.00 C ATOM 588 O ALA A 187 14.008 -1.100 1.741 1.00 0.00 O ATOM 589 CB ALA A 187 15.404 1.437 0.521 1.00 0.00 C ATOM 0 H ALA A 187 13.715 -0.546 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 187 16.575 -0.270 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 187 16.040 1.710 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 187 15.708 1.999 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 187 14.366 1.670 0.760 1.00 0.00 H new ATOM 595 N LYS A 188 16.189 -1.230 2.213 1.00 0.00 N ATOM 596 CA LYS A 188 16.006 -1.988 3.423 1.00 0.00 C ATOM 597 C LYS A 188 16.613 -1.243 4.565 1.00 0.00 C ATOM 598 O LYS A 188 17.628 -0.571 4.400 1.00 0.00 O ATOM 599 CB LYS A 188 16.693 -3.347 3.321 1.00 0.00 C ATOM 600 CG LYS A 188 16.123 -4.260 2.272 1.00 0.00 C ATOM 601 CD LYS A 188 16.914 -5.542 2.180 1.00 0.00 C ATOM 602 CE LYS A 188 16.319 -6.483 1.158 1.00 0.00 C ATOM 603 NZ LYS A 188 16.197 -5.860 -0.176 1.00 0.00 N ATOM 0 H LYS A 188 17.163 -1.024 1.993 1.00 0.00 H new ATOM 0 HA LYS A 188 14.937 -2.135 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 188 17.751 -3.190 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 188 16.631 -3.844 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 188 15.083 -4.487 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 188 16.127 -3.756 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 188 17.946 -5.316 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 188 16.937 -6.028 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 188 16.941 -7.375 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 188 15.335 -6.807 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 15.930 -6.583 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 15.467 -5.119 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 17.108 -5.438 -0.447 1.00 0.00 H new ATOM 617 N LYS A 189 15.996 -1.325 5.697 1.00 0.00 N ATOM 618 CA LYS A 189 16.538 -0.754 6.885 1.00 0.00 C ATOM 619 C LYS A 189 16.997 -1.904 7.763 1.00 0.00 C ATOM 620 O LYS A 189 16.176 -2.577 8.374 1.00 0.00 O ATOM 621 CB LYS A 189 15.491 0.101 7.617 1.00 0.00 C ATOM 622 CG LYS A 189 14.849 1.175 6.739 1.00 0.00 C ATOM 623 CD LYS A 189 13.907 2.079 7.524 1.00 0.00 C ATOM 624 CE LYS A 189 14.654 2.946 8.532 1.00 0.00 C ATOM 625 NZ LYS A 189 15.638 3.841 7.883 1.00 0.00 N ATOM 0 H LYS A 189 15.098 -1.792 5.825 1.00 0.00 H new ATOM 0 HA LYS A 189 17.371 -0.094 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 189 14.710 -0.552 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 189 15.962 0.580 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 189 15.631 1.780 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 189 14.299 0.697 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 189 13.358 2.718 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 189 13.171 1.469 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 189 13.937 3.545 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 189 15.167 2.305 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 15.934 4.577 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 16.468 3.288 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 15.205 4.287 7.050 1.00 0.00 H new ATOM 639 N PRO A 190 18.305 -2.205 7.776 1.00 0.00 N ATOM 640 CA PRO A 190 18.848 -3.339 8.535 1.00 0.00 C ATOM 641 C PRO A 190 18.729 -3.167 10.053 1.00 0.00 C ATOM 642 O PRO A 190 18.795 -4.148 10.808 1.00 0.00 O ATOM 643 CB PRO A 190 20.316 -3.398 8.109 1.00 0.00 C ATOM 644 CG PRO A 190 20.629 -2.037 7.599 1.00 0.00 C ATOM 645 CD PRO A 190 19.360 -1.496 7.023 1.00 0.00 C ATOM 0 HA PRO A 190 18.294 -4.254 8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 190 20.959 -3.661 8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 190 20.472 -4.153 7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 190 20.994 -1.397 8.402 1.00 0.00 H new ATOM 0 HG3 PRO A 190 21.412 -2.077 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 190 19.289 -0.416 7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 190 19.290 -1.693 5.953 1.00 0.00 H new ATOM 653 N ALA A 191 18.565 -1.941 10.487 1.00 0.00 N ATOM 654 CA ALA A 191 18.411 -1.635 11.888 1.00 0.00 C ATOM 655 C ALA A 191 17.322 -0.599 12.061 1.00 0.00 C ATOM 656 O ALA A 191 17.525 0.585 11.770 1.00 0.00 O ATOM 657 CB ALA A 191 19.721 -1.132 12.478 1.00 0.00 C ATOM 0 H ALA A 191 18.535 -1.125 9.876 1.00 0.00 H new ATOM 0 HA ALA A 191 18.131 -2.544 12.420 1.00 0.00 H new ATOM 0 HB1 ALA A 191 19.581 -0.907 13.535 1.00 0.00 H new ATOM 0 HB2 ALA A 191 20.488 -1.899 12.368 1.00 0.00 H new ATOM 0 HB3 ALA A 191 20.033 -0.229 11.953 1.00 0.00 H new ATOM 663 N LEU A 192 16.176 -1.040 12.470 1.00 0.00 N ATOM 664 CA LEU A 192 15.056 -0.163 12.690 1.00 0.00 C ATOM 665 C LEU A 192 14.459 -0.446 14.045 1.00 0.00 C ATOM 666 O LEU A 192 14.192 0.504 14.800 1.00 0.00 O ATOM 667 CB LEU A 192 13.996 -0.159 11.509 1.00 0.00 C ATOM 668 CG LEU A 192 13.181 -1.447 11.133 1.00 0.00 C ATOM 669 CD1 LEU A 192 14.055 -2.643 10.829 1.00 0.00 C ATOM 670 CD2 LEU A 192 12.099 -1.787 12.151 1.00 0.00 C ATOM 671 OXT LEU A 192 14.385 -1.642 14.421 1.00 0.00 O ATOM 0 H LEU A 192 15.983 -2.023 12.664 1.00 0.00 H new ATOM 0 HA LEU A 192 15.425 0.863 12.688 1.00 0.00 H new ATOM 0 HB2 LEU A 192 13.269 0.620 11.739 1.00 0.00 H new ATOM 0 HB3 LEU A 192 14.525 0.155 10.609 1.00 0.00 H new ATOM 0 HG LEU A 192 12.672 -1.192 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 192 13.427 -3.498 10.577 1.00 0.00 H new ATOM 0 HD12 LEU A 192 14.708 -2.412 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 192 14.661 -2.883 11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 192 11.571 -2.687 11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 192 12.557 -1.959 13.125 1.00 0.00 H new ATOM 0 HD23 LEU A 192 11.394 -0.959 12.223 1.00 0.00 H new TER 683 LEU A 192