USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 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 101:sc= 1.21 USER MOD Single : A 164 ASN :FLIP amide:sc=-0.00323 F(o=-0.87,f=-0.0032) USER MOD Single : A 169 LYS NZ :NH3+ 134:sc= 1.31 (180deg=0.716) USER MOD Single : A 173 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 181 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.4) USER MOD Single : A 182 TYR OH : rot 30:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ -166:sc= -0.0808 (180deg=-0.318) USER MOD Single : A 186 LYS NZ :NH3+ -177:sc= 0.978 (180deg=0.924) USER MOD Single : A 188 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.038) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -18.551 -0.717 -4.888 1.00 0.00 N ATOM 2 CA GLY A 149 -18.457 -1.787 -5.859 1.00 0.00 C ATOM 3 C GLY A 149 -19.381 -1.544 -7.022 1.00 0.00 C ATOM 4 O GLY A 149 -20.052 -0.502 -7.066 1.00 0.00 O ATOM 0 HA2 GLY A 149 -17.431 -1.869 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -18.706 -2.736 -5.384 1.00 0.00 H new ATOM 10 N PRO A 150 -19.449 -2.474 -7.978 1.00 0.00 N ATOM 11 CA PRO A 150 -20.290 -2.329 -9.167 1.00 0.00 C ATOM 12 C PRO A 150 -21.778 -2.411 -8.850 1.00 0.00 C ATOM 13 O PRO A 150 -22.199 -3.167 -7.967 1.00 0.00 O ATOM 14 CB PRO A 150 -19.890 -3.525 -10.036 1.00 0.00 C ATOM 15 CG PRO A 150 -19.374 -4.537 -9.072 1.00 0.00 C ATOM 16 CD PRO A 150 -18.709 -3.757 -7.981 1.00 0.00 C ATOM 0 HA PRO A 150 -20.143 -1.357 -9.638 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -20.742 -3.910 -10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -19.128 -3.248 -10.765 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -20.184 -5.150 -8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -18.669 -5.214 -9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -18.783 -4.266 -7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -17.648 -3.609 -8.182 1.00 0.00 H new ATOM 24 N GLY A 151 -22.559 -1.619 -9.545 1.00 0.00 N ATOM 25 CA GLY A 151 -23.995 -1.705 -9.408 1.00 0.00 C ATOM 26 C GLY A 151 -24.558 -2.591 -10.500 1.00 0.00 C ATOM 27 O GLY A 151 -24.494 -3.814 -10.417 1.00 0.00 O ATOM 0 H GLY A 151 -22.230 -0.914 -10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -24.253 -2.109 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -24.436 -0.710 -9.469 1.00 0.00 H new ATOM 31 N SER A 152 -25.041 -1.975 -11.556 1.00 0.00 N ATOM 32 CA SER A 152 -25.533 -2.693 -12.725 1.00 0.00 C ATOM 33 C SER A 152 -24.363 -2.923 -13.689 1.00 0.00 C ATOM 34 O SER A 152 -24.518 -3.427 -14.798 1.00 0.00 O ATOM 35 CB SER A 152 -26.632 -1.871 -13.400 1.00 0.00 C ATOM 36 OG SER A 152 -27.670 -1.549 -12.477 1.00 0.00 O ATOM 0 H SER A 152 -25.107 -0.960 -11.635 1.00 0.00 H new ATOM 0 HA SER A 152 -25.951 -3.656 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 152 -26.206 -0.954 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 152 -27.047 -2.431 -14.238 1.00 0.00 H new ATOM 0 HG SER A 152 -28.360 -1.022 -12.931 1.00 0.00 H new ATOM 42 N GLU A 153 -23.200 -2.524 -13.226 1.00 0.00 N ATOM 43 CA GLU A 153 -21.943 -2.654 -13.938 1.00 0.00 C ATOM 44 C GLU A 153 -21.472 -4.099 -13.865 1.00 0.00 C ATOM 45 O GLU A 153 -20.797 -4.582 -14.746 1.00 0.00 O ATOM 46 CB GLU A 153 -20.942 -1.733 -13.268 1.00 0.00 C ATOM 47 CG GLU A 153 -21.452 -0.309 -13.179 1.00 0.00 C ATOM 48 CD GLU A 153 -20.684 0.534 -12.213 1.00 0.00 C ATOM 49 OE1 GLU A 153 -20.769 0.263 -10.991 1.00 0.00 O ATOM 50 OE2 GLU A 153 -20.043 1.523 -12.631 1.00 0.00 O ATOM 0 H GLU A 153 -23.097 -2.084 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 153 -22.053 -2.383 -14.988 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -20.723 -2.103 -12.266 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -20.005 -1.749 -13.825 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -21.405 0.149 -14.167 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -22.501 -0.324 -12.884 1.00 0.00 H new ATOM 57 N ASP A 154 -21.842 -4.740 -12.766 1.00 0.00 N ATOM 58 CA ASP A 154 -21.608 -6.166 -12.462 1.00 0.00 C ATOM 59 C ASP A 154 -20.180 -6.634 -12.635 1.00 0.00 C ATOM 60 O ASP A 154 -19.370 -6.527 -11.726 1.00 0.00 O ATOM 61 CB ASP A 154 -22.589 -7.102 -13.199 1.00 0.00 C ATOM 62 CG ASP A 154 -23.979 -7.085 -12.617 1.00 0.00 C ATOM 63 OD1 ASP A 154 -24.780 -6.203 -12.966 1.00 0.00 O ATOM 64 OD2 ASP A 154 -24.306 -7.979 -11.804 1.00 0.00 O ATOM 0 H ASP A 154 -22.341 -4.264 -12.015 1.00 0.00 H new ATOM 0 HA ASP A 154 -21.809 -6.233 -11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -22.638 -6.812 -14.249 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -22.202 -8.120 -13.168 1.00 0.00 H new ATOM 69 N ASP A 155 -19.867 -7.093 -13.810 1.00 0.00 N ATOM 70 CA ASP A 155 -18.569 -7.672 -14.090 1.00 0.00 C ATOM 71 C ASP A 155 -17.636 -6.622 -14.660 1.00 0.00 C ATOM 72 O ASP A 155 -16.420 -6.814 -14.702 1.00 0.00 O ATOM 73 CB ASP A 155 -18.740 -8.836 -15.099 1.00 0.00 C ATOM 74 CG ASP A 155 -17.447 -9.546 -15.474 1.00 0.00 C ATOM 75 OD1 ASP A 155 -17.051 -10.509 -14.779 1.00 0.00 O ATOM 76 OD2 ASP A 155 -16.813 -9.181 -16.485 1.00 0.00 O ATOM 0 H ASP A 155 -20.500 -7.081 -14.610 1.00 0.00 H new ATOM 0 HA ASP A 155 -18.135 -8.051 -13.165 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -19.431 -9.566 -14.677 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -19.202 -8.447 -16.007 1.00 0.00 H new ATOM 81 N ASP A 156 -18.190 -5.477 -15.011 1.00 0.00 N ATOM 82 CA ASP A 156 -17.433 -4.502 -15.775 1.00 0.00 C ATOM 83 C ASP A 156 -16.579 -3.595 -14.912 1.00 0.00 C ATOM 84 O ASP A 156 -15.460 -3.223 -15.301 1.00 0.00 O ATOM 85 CB ASP A 156 -18.372 -3.696 -16.694 1.00 0.00 C ATOM 86 CG ASP A 156 -17.661 -2.711 -17.600 1.00 0.00 C ATOM 87 OD1 ASP A 156 -16.837 -3.136 -18.435 1.00 0.00 O ATOM 88 OD2 ASP A 156 -17.961 -1.510 -17.545 1.00 0.00 O ATOM 0 H ASP A 156 -19.145 -5.201 -14.784 1.00 0.00 H new ATOM 0 HA ASP A 156 -16.730 -5.059 -16.394 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -18.944 -4.391 -17.309 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -19.088 -3.153 -16.077 1.00 0.00 H new ATOM 93 N ILE A 157 -17.051 -3.285 -13.726 1.00 0.00 N ATOM 94 CA ILE A 157 -16.364 -2.294 -12.894 1.00 0.00 C ATOM 95 C ILE A 157 -16.107 -2.766 -11.476 1.00 0.00 C ATOM 96 O ILE A 157 -16.981 -2.693 -10.630 1.00 0.00 O ATOM 97 CB ILE A 157 -17.158 -0.952 -12.801 1.00 0.00 C ATOM 98 CG1 ILE A 157 -17.546 -0.442 -14.188 1.00 0.00 C ATOM 99 CG2 ILE A 157 -16.344 0.117 -12.043 1.00 0.00 C ATOM 100 CD1 ILE A 157 -16.370 -0.042 -15.045 1.00 0.00 C ATOM 0 H ILE A 157 -17.891 -3.690 -13.312 1.00 0.00 H new ATOM 0 HA ILE A 157 -15.410 -2.142 -13.398 1.00 0.00 H new ATOM 0 HB ILE A 157 -18.074 -1.148 -12.244 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -18.112 -1.218 -14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -18.210 0.415 -14.076 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -16.918 1.042 -11.991 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -16.132 -0.235 -11.034 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -15.406 0.300 -12.568 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -16.728 0.309 -16.013 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -15.815 0.757 -14.552 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -15.716 -0.902 -15.190 1.00 0.00 H new ATOM 112 N ASP A 158 -14.956 -3.299 -11.244 1.00 0.00 N ATOM 113 CA ASP A 158 -14.483 -3.511 -9.892 1.00 0.00 C ATOM 114 C ASP A 158 -13.004 -3.282 -9.949 1.00 0.00 C ATOM 115 O ASP A 158 -12.291 -3.968 -10.690 1.00 0.00 O ATOM 116 CB ASP A 158 -14.810 -4.904 -9.299 1.00 0.00 C ATOM 117 CG ASP A 158 -14.572 -4.950 -7.770 1.00 0.00 C ATOM 118 OD1 ASP A 158 -13.626 -4.287 -7.266 1.00 0.00 O ATOM 119 OD2 ASP A 158 -15.353 -5.599 -7.036 1.00 0.00 O ATOM 0 H ASP A 158 -14.309 -3.603 -11.972 1.00 0.00 H new ATOM 0 HA ASP A 158 -14.997 -2.825 -9.219 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -15.849 -5.155 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -14.193 -5.660 -9.785 1.00 0.00 H new ATOM 124 N LEU A 159 -12.552 -2.279 -9.255 1.00 0.00 N ATOM 125 CA LEU A 159 -11.152 -1.894 -9.318 1.00 0.00 C ATOM 126 C LEU A 159 -10.423 -2.177 -8.004 1.00 0.00 C ATOM 127 O LEU A 159 -9.227 -1.888 -7.876 1.00 0.00 O ATOM 128 CB LEU A 159 -11.047 -0.394 -9.642 1.00 0.00 C ATOM 129 CG LEU A 159 -11.756 0.088 -10.920 1.00 0.00 C ATOM 130 CD1 LEU A 159 -11.646 1.593 -11.051 1.00 0.00 C ATOM 131 CD2 LEU A 159 -11.181 -0.584 -12.157 1.00 0.00 C ATOM 0 H LEU A 159 -13.124 -1.706 -8.635 1.00 0.00 H new ATOM 0 HA LEU A 159 -10.679 -2.488 -10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -11.450 0.166 -8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.991 -0.136 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.808 -0.187 -10.840 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -12.153 1.917 -11.960 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -12.111 2.068 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.595 1.878 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.703 -0.223 -13.043 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.120 -0.348 -12.239 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.308 -1.664 -12.077 1.00 0.00 H new ATOM 143 N PHE A 160 -11.117 -2.725 -7.039 1.00 0.00 N ATOM 144 CA PHE A 160 -10.517 -2.917 -5.722 1.00 0.00 C ATOM 145 C PHE A 160 -10.676 -4.335 -5.202 1.00 0.00 C ATOM 146 O PHE A 160 -9.753 -4.896 -4.598 1.00 0.00 O ATOM 147 CB PHE A 160 -11.125 -1.914 -4.721 1.00 0.00 C ATOM 148 CG PHE A 160 -10.588 -2.014 -3.314 1.00 0.00 C ATOM 149 CD1 PHE A 160 -9.361 -1.464 -2.987 1.00 0.00 C ATOM 150 CD2 PHE A 160 -11.313 -2.662 -2.324 1.00 0.00 C ATOM 151 CE1 PHE A 160 -8.864 -1.559 -1.701 1.00 0.00 C ATOM 152 CE2 PHE A 160 -10.822 -2.763 -1.038 1.00 0.00 C ATOM 153 CZ PHE A 160 -9.596 -2.210 -0.726 1.00 0.00 C ATOM 0 H PHE A 160 -12.082 -3.045 -7.126 1.00 0.00 H new ATOM 0 HA PHE A 160 -9.447 -2.739 -5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -10.950 -0.903 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -12.205 -2.060 -4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -8.785 -0.955 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -12.274 -3.093 -2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -7.905 -1.125 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -11.395 -3.273 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 160 -9.209 -2.286 0.279 1.00 0.00 H new ATOM 163 N GLY A 161 -11.824 -4.897 -5.443 1.00 0.00 N ATOM 164 CA GLY A 161 -12.180 -6.145 -4.850 1.00 0.00 C ATOM 165 C GLY A 161 -13.173 -5.855 -3.765 1.00 0.00 C ATOM 166 O GLY A 161 -12.822 -5.812 -2.590 1.00 0.00 O ATOM 0 H GLY A 161 -12.537 -4.501 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -12.609 -6.816 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -11.300 -6.642 -4.443 1.00 0.00 H new ATOM 170 N SER A 162 -14.403 -5.593 -4.177 1.00 0.00 N ATOM 171 CA SER A 162 -15.481 -5.168 -3.283 1.00 0.00 C ATOM 172 C SER A 162 -15.736 -6.150 -2.140 1.00 0.00 C ATOM 173 O SER A 162 -15.882 -5.744 -0.985 1.00 0.00 O ATOM 174 CB SER A 162 -16.754 -4.949 -4.094 1.00 0.00 C ATOM 175 OG SER A 162 -16.492 -4.077 -5.191 1.00 0.00 O ATOM 0 H SER A 162 -14.690 -5.669 -5.153 1.00 0.00 H new ATOM 0 HA SER A 162 -15.168 -4.234 -2.816 1.00 0.00 H new ATOM 0 HB2 SER A 162 -17.130 -5.904 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 162 -17.531 -4.523 -3.459 1.00 0.00 H new ATOM 0 HG SER A 162 -16.387 -4.604 -6.010 1.00 0.00 H new ATOM 181 N ASP A 163 -15.769 -7.434 -2.453 1.00 0.00 N ATOM 182 CA ASP A 163 -16.008 -8.460 -1.430 1.00 0.00 C ATOM 183 C ASP A 163 -14.757 -8.581 -0.579 1.00 0.00 C ATOM 184 O ASP A 163 -14.811 -8.940 0.590 1.00 0.00 O ATOM 185 CB ASP A 163 -16.254 -9.787 -2.080 1.00 0.00 C ATOM 186 CG ASP A 163 -16.874 -10.819 -1.186 1.00 0.00 C ATOM 187 OD1 ASP A 163 -17.960 -10.565 -0.622 1.00 0.00 O ATOM 188 OD2 ASP A 163 -16.326 -11.930 -1.104 1.00 0.00 O ATOM 0 H ASP A 163 -15.636 -7.798 -3.397 1.00 0.00 H new ATOM 0 HA ASP A 163 -16.874 -8.179 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -16.902 -9.638 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -15.306 -10.173 -2.455 1.00 0.00 H new ATOM 193 N ASN A 164 -13.618 -8.352 -1.241 1.00 0.00 N ATOM 194 CA ASN A 164 -12.254 -8.278 -0.665 1.00 0.00 C ATOM 195 C ASN A 164 -11.642 -9.658 -0.493 1.00 0.00 C ATOM 196 O ASN A 164 -10.416 -9.827 -0.556 1.00 0.00 O ATOM 197 CB ASN A 164 -12.203 -7.472 0.654 1.00 0.00 C ATOM 198 CG ASN A 164 -10.793 -7.113 1.105 1.00 0.00 C ATOM 199 OD1 ASN A 164 -9.951 -6.725 0.176 1.00 0.00 O flip ATOM 200 ND2 ASN A 164 -10.490 -7.112 2.302 1.00 0.00 N flip ATOM 0 H ASN A 164 -13.613 -8.204 -2.250 1.00 0.00 H new ATOM 0 HA ASN A 164 -11.648 -7.731 -1.388 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -12.779 -6.555 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -12.689 -8.050 1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -11.167 -7.420 3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -9.562 -6.804 2.593 1.00 0.00 H new ATOM 207 N GLU A 165 -12.494 -10.648 -0.330 1.00 0.00 N ATOM 208 CA GLU A 165 -12.057 -12.000 -0.135 1.00 0.00 C ATOM 209 C GLU A 165 -11.771 -12.638 -1.474 1.00 0.00 C ATOM 210 O GLU A 165 -10.976 -13.577 -1.579 1.00 0.00 O ATOM 211 CB GLU A 165 -13.102 -12.799 0.625 1.00 0.00 C ATOM 212 CG GLU A 165 -13.386 -12.284 2.013 1.00 0.00 C ATOM 213 CD GLU A 165 -14.366 -13.150 2.752 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.939 -14.133 3.379 1.00 0.00 O ATOM 215 OE2 GLU A 165 -15.579 -12.868 2.714 1.00 0.00 O ATOM 0 H GLU A 165 -13.507 -10.531 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 165 -11.143 -11.994 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -14.030 -12.799 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -12.771 -13.835 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -12.454 -12.231 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -13.778 -11.269 1.949 1.00 0.00 H new ATOM 222 N GLU A 166 -12.402 -12.109 -2.493 1.00 0.00 N ATOM 223 CA GLU A 166 -12.236 -12.586 -3.824 1.00 0.00 C ATOM 224 C GLU A 166 -10.947 -12.099 -4.457 1.00 0.00 C ATOM 225 O GLU A 166 -10.202 -12.882 -5.022 1.00 0.00 O ATOM 226 CB GLU A 166 -13.495 -12.331 -4.669 1.00 0.00 C ATOM 227 CG GLU A 166 -14.210 -11.011 -4.466 1.00 0.00 C ATOM 228 CD GLU A 166 -13.438 -9.758 -4.682 1.00 0.00 C ATOM 229 OE1 GLU A 166 -12.778 -9.311 -3.730 1.00 0.00 O ATOM 230 OE2 GLU A 166 -13.539 -9.166 -5.770 1.00 0.00 O ATOM 0 H GLU A 166 -13.051 -11.326 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.123 -13.669 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.217 -12.406 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.205 -13.134 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -15.071 -10.992 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -14.596 -10.994 -3.447 1.00 0.00 H new ATOM 237 N GLU A 167 -10.647 -10.830 -4.280 1.00 0.00 N ATOM 238 CA GLU A 167 -9.430 -10.237 -4.829 1.00 0.00 C ATOM 239 C GLU A 167 -8.200 -10.588 -3.964 1.00 0.00 C ATOM 240 O GLU A 167 -7.063 -10.159 -4.244 1.00 0.00 O ATOM 241 CB GLU A 167 -9.559 -8.738 -4.947 1.00 0.00 C ATOM 242 CG GLU A 167 -8.577 -8.159 -5.936 1.00 0.00 C ATOM 243 CD GLU A 167 -8.979 -8.396 -7.359 1.00 0.00 C ATOM 244 OE1 GLU A 167 -9.974 -7.822 -7.796 1.00 0.00 O ATOM 245 OE2 GLU A 167 -8.276 -9.124 -8.088 1.00 0.00 O ATOM 0 H GLU A 167 -11.231 -10.178 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.288 -10.655 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.574 -8.485 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.399 -8.283 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.484 -7.087 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.594 -8.596 -5.763 1.00 0.00 H new ATOM 252 N ASP A 168 -8.418 -11.425 -2.949 1.00 0.00 N ATOM 253 CA ASP A 168 -7.334 -11.916 -2.073 1.00 0.00 C ATOM 254 C ASP A 168 -6.280 -12.645 -2.913 1.00 0.00 C ATOM 255 O ASP A 168 -5.108 -12.748 -2.527 1.00 0.00 O ATOM 256 CB ASP A 168 -7.877 -12.830 -0.972 1.00 0.00 C ATOM 257 CG ASP A 168 -6.803 -13.304 -0.010 1.00 0.00 C ATOM 258 OD1 ASP A 168 -6.431 -12.545 0.908 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.338 -14.461 -0.128 1.00 0.00 O ATOM 0 H ASP A 168 -9.341 -11.784 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.870 -11.059 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.648 -12.299 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.355 -13.696 -1.430 1.00 0.00 H new ATOM 264 N LYS A 169 -6.726 -13.122 -4.087 1.00 0.00 N ATOM 265 CA LYS A 169 -5.862 -13.682 -5.125 1.00 0.00 C ATOM 266 C LYS A 169 -4.624 -12.791 -5.340 1.00 0.00 C ATOM 267 O LYS A 169 -3.506 -13.243 -5.184 1.00 0.00 O ATOM 268 CB LYS A 169 -6.642 -13.803 -6.456 1.00 0.00 C ATOM 269 CG LYS A 169 -7.617 -12.645 -6.668 1.00 0.00 C ATOM 270 CD LYS A 169 -7.859 -12.253 -8.102 1.00 0.00 C ATOM 271 CE LYS A 169 -6.597 -11.754 -8.767 1.00 0.00 C ATOM 272 NZ LYS A 169 -6.870 -11.095 -10.057 1.00 0.00 N ATOM 0 H LYS A 169 -7.714 -13.127 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.536 -14.670 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.936 -13.836 -7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.192 -14.744 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.573 -12.911 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.242 -11.774 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.246 -13.110 -8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.623 -11.477 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -6.091 -11.053 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.917 -12.591 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -6.339 -10.202 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.576 -11.720 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.888 -10.897 -10.137 1.00 0.00 H new ATOM 286 N GLU A 170 -4.835 -11.507 -5.622 1.00 0.00 N ATOM 287 CA GLU A 170 -3.739 -10.618 -5.865 1.00 0.00 C ATOM 288 C GLU A 170 -3.218 -9.981 -4.654 1.00 0.00 C ATOM 289 O GLU A 170 -2.088 -9.542 -4.653 1.00 0.00 O ATOM 290 CB GLU A 170 -3.933 -9.654 -7.013 1.00 0.00 C ATOM 291 CG GLU A 170 -3.406 -10.237 -8.303 1.00 0.00 C ATOM 292 CD GLU A 170 -3.659 -9.389 -9.516 1.00 0.00 C ATOM 293 OE1 GLU A 170 -4.809 -9.380 -10.022 1.00 0.00 O ATOM 294 OE2 GLU A 170 -2.721 -8.750 -10.000 1.00 0.00 O ATOM 0 H GLU A 170 -5.757 -11.076 -5.684 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.948 -11.282 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -4.992 -9.420 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.420 -8.717 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.332 -10.396 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.860 -11.216 -8.458 1.00 0.00 H new ATOM 301 N ALA A 171 -4.015 -9.939 -3.604 1.00 0.00 N ATOM 302 CA ALA A 171 -3.510 -9.470 -2.335 1.00 0.00 C ATOM 303 C ALA A 171 -2.287 -10.312 -1.972 1.00 0.00 C ATOM 304 O ALA A 171 -1.251 -9.782 -1.608 1.00 0.00 O ATOM 305 CB ALA A 171 -4.571 -9.568 -1.261 1.00 0.00 C ATOM 0 H ALA A 171 -4.996 -10.219 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.230 -8.419 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.166 -9.209 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.430 -8.959 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.883 -10.607 -1.151 1.00 0.00 H new ATOM 311 N ALA A 172 -2.415 -11.625 -2.200 1.00 0.00 N ATOM 312 CA ALA A 172 -1.349 -12.585 -1.988 1.00 0.00 C ATOM 313 C ALA A 172 -0.356 -12.609 -3.157 1.00 0.00 C ATOM 314 O ALA A 172 0.834 -12.503 -2.936 1.00 0.00 O ATOM 315 CB ALA A 172 -1.925 -13.971 -1.749 1.00 0.00 C ATOM 0 H ALA A 172 -3.279 -12.046 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.798 -12.271 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -1.113 -14.680 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.566 -13.952 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.510 -14.276 -2.616 1.00 0.00 H new ATOM 321 N GLN A 173 -0.846 -12.730 -4.398 1.00 0.00 N ATOM 322 CA GLN A 173 0.027 -12.795 -5.577 1.00 0.00 C ATOM 323 C GLN A 173 0.942 -11.609 -5.741 1.00 0.00 C ATOM 324 O GLN A 173 2.141 -11.774 -5.948 1.00 0.00 O ATOM 325 CB GLN A 173 -0.750 -13.038 -6.818 1.00 0.00 C ATOM 326 CG GLN A 173 -1.170 -14.468 -6.911 1.00 0.00 C ATOM 327 CD GLN A 173 -2.010 -14.759 -8.088 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.884 -14.138 -9.144 1.00 0.00 O ATOM 329 NE2 GLN A 173 -2.887 -15.680 -7.922 1.00 0.00 N ATOM 0 H GLN A 173 -1.842 -12.785 -4.611 1.00 0.00 H new ATOM 0 HA GLN A 173 0.680 -13.649 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.630 -12.395 -6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -0.147 -12.774 -7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.281 -15.098 -6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.718 -14.737 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -2.953 -16.166 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -3.519 -15.926 -8.684 1.00 0.00 H new ATOM 338 N LEU A 174 0.393 -10.414 -5.658 1.00 0.00 N ATOM 339 CA LEU A 174 1.205 -9.203 -5.721 1.00 0.00 C ATOM 340 C LEU A 174 2.179 -9.210 -4.569 1.00 0.00 C ATOM 341 O LEU A 174 3.371 -9.063 -4.763 1.00 0.00 O ATOM 342 CB LEU A 174 0.324 -7.964 -5.651 1.00 0.00 C ATOM 343 CG LEU A 174 -0.702 -7.827 -6.771 1.00 0.00 C ATOM 344 CD1 LEU A 174 -1.670 -6.691 -6.461 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.021 -7.557 -8.098 1.00 0.00 C ATOM 0 H LEU A 174 -0.608 -10.250 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 174 1.748 -9.180 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.203 -7.967 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.965 -7.082 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.251 -8.766 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.398 -6.603 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.189 -6.900 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.117 -5.757 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.774 -7.463 -8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.551 -6.631 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.650 -8.382 -8.337 1.00 0.00 H new ATOM 357 N ARG A 175 1.648 -9.451 -3.382 1.00 0.00 N ATOM 358 CA ARG A 175 2.429 -9.536 -2.133 1.00 0.00 C ATOM 359 C ARG A 175 3.653 -10.446 -2.274 1.00 0.00 C ATOM 360 O ARG A 175 4.795 -10.018 -2.023 1.00 0.00 O ATOM 361 CB ARG A 175 1.531 -10.099 -1.055 1.00 0.00 C ATOM 362 CG ARG A 175 2.153 -10.357 0.282 1.00 0.00 C ATOM 363 CD ARG A 175 1.144 -11.044 1.157 1.00 0.00 C ATOM 364 NE ARG A 175 1.655 -11.313 2.492 1.00 0.00 N ATOM 365 CZ ARG A 175 1.020 -12.019 3.427 1.00 0.00 C ATOM 366 NH1 ARG A 175 -0.104 -12.656 3.139 1.00 0.00 N ATOM 367 NH2 ARG A 175 1.541 -12.113 4.642 1.00 0.00 N ATOM 0 H ARG A 175 0.648 -9.597 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 175 2.786 -8.536 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.698 -9.410 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.111 -11.036 -1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.042 -10.977 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.473 -9.420 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.251 -10.424 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.843 -11.982 0.691 1.00 0.00 H new ATOM 0 HE ARG A 175 2.570 -10.932 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.490 -12.609 2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -0.584 -13.194 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 175 2.422 -11.647 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 175 1.061 -12.652 5.363 1.00 0.00 H new ATOM 381 N GLU A 176 3.410 -11.678 -2.690 1.00 0.00 N ATOM 382 CA GLU A 176 4.447 -12.661 -2.779 1.00 0.00 C ATOM 383 C GLU A 176 5.410 -12.378 -3.914 1.00 0.00 C ATOM 384 O GLU A 176 6.609 -12.528 -3.749 1.00 0.00 O ATOM 385 CB GLU A 176 3.897 -14.081 -2.864 1.00 0.00 C ATOM 386 CG GLU A 176 3.087 -14.394 -4.108 1.00 0.00 C ATOM 387 CD GLU A 176 2.901 -15.869 -4.297 1.00 0.00 C ATOM 388 OE1 GLU A 176 3.908 -16.570 -4.552 1.00 0.00 O ATOM 389 OE2 GLU A 176 1.761 -16.362 -4.225 1.00 0.00 O ATOM 0 H GLU A 176 2.488 -12.012 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 176 5.010 -12.589 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 176 4.732 -14.779 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.272 -14.263 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.112 -13.911 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.587 -13.976 -4.982 1.00 0.00 H new ATOM 396 N GLU A 177 4.904 -11.949 -5.054 1.00 0.00 N ATOM 397 CA GLU A 177 5.789 -11.650 -6.162 1.00 0.00 C ATOM 398 C GLU A 177 6.677 -10.460 -5.859 1.00 0.00 C ATOM 399 O GLU A 177 7.855 -10.467 -6.196 1.00 0.00 O ATOM 400 CB GLU A 177 5.073 -11.522 -7.512 1.00 0.00 C ATOM 401 CG GLU A 177 4.421 -12.822 -7.961 1.00 0.00 C ATOM 402 CD GLU A 177 4.047 -12.836 -9.422 1.00 0.00 C ATOM 403 OE1 GLU A 177 4.911 -13.177 -10.256 1.00 0.00 O ATOM 404 OE2 GLU A 177 2.889 -12.541 -9.772 1.00 0.00 O ATOM 0 H GLU A 177 3.911 -11.803 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 177 6.435 -12.521 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.312 -10.745 -7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.789 -11.200 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.103 -13.649 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.526 -12.995 -7.364 1.00 0.00 H new ATOM 411 N ARG A 178 6.136 -9.478 -5.148 1.00 0.00 N ATOM 412 CA ARG A 178 6.917 -8.310 -4.759 1.00 0.00 C ATOM 413 C ARG A 178 8.072 -8.693 -3.847 1.00 0.00 C ATOM 414 O ARG A 178 9.183 -8.235 -4.048 1.00 0.00 O ATOM 415 CB ARG A 178 6.068 -7.232 -4.091 1.00 0.00 C ATOM 416 CG ARG A 178 5.026 -6.592 -4.995 1.00 0.00 C ATOM 417 CD ARG A 178 4.276 -5.501 -4.263 1.00 0.00 C ATOM 418 NE ARG A 178 5.177 -4.413 -3.869 1.00 0.00 N ATOM 419 CZ ARG A 178 5.018 -3.607 -2.816 1.00 0.00 C ATOM 420 NH1 ARG A 178 4.013 -3.790 -1.962 1.00 0.00 N ATOM 421 NH2 ARG A 178 5.886 -2.632 -2.616 1.00 0.00 N ATOM 0 H ARG A 178 5.167 -9.466 -4.831 1.00 0.00 H new ATOM 0 HA ARG A 178 7.316 -7.894 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.563 -7.669 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.728 -6.452 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.511 -6.176 -5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.325 -7.351 -5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.484 -5.108 -4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.795 -5.917 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 178 6.000 -4.258 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 178 3.352 -4.553 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 178 3.904 -3.167 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 178 6.665 -2.502 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 178 5.777 -2.009 -1.816 1.00 0.00 H new ATOM 435 N LEU A 179 7.825 -9.576 -2.874 1.00 0.00 N ATOM 436 CA LEU A 179 8.887 -9.979 -1.946 1.00 0.00 C ATOM 437 C LEU A 179 9.998 -10.771 -2.647 1.00 0.00 C ATOM 438 O LEU A 179 11.160 -10.739 -2.223 1.00 0.00 O ATOM 439 CB LEU A 179 8.332 -10.678 -0.664 1.00 0.00 C ATOM 440 CG LEU A 179 7.480 -11.954 -0.818 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.321 -13.181 -1.155 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.649 -12.197 0.429 1.00 0.00 C ATOM 0 H LEU A 179 6.920 -10.017 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 179 9.359 -9.064 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.183 -10.925 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.733 -9.946 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 179 6.810 -11.789 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.672 -14.051 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.848 -13.014 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.045 -13.356 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 179 6.055 -13.102 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.309 -12.315 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.986 -11.348 0.595 1.00 0.00 H new ATOM 454 N ARG A 180 9.641 -11.440 -3.755 1.00 0.00 N ATOM 455 CA ARG A 180 10.619 -12.169 -4.574 1.00 0.00 C ATOM 456 C ARG A 180 11.563 -11.144 -5.192 1.00 0.00 C ATOM 457 O ARG A 180 12.791 -11.286 -5.155 1.00 0.00 O ATOM 458 CB ARG A 180 9.936 -12.922 -5.731 1.00 0.00 C ATOM 459 CG ARG A 180 8.828 -13.888 -5.353 1.00 0.00 C ATOM 460 CD ARG A 180 8.173 -14.454 -6.610 1.00 0.00 C ATOM 461 NE ARG A 180 6.949 -15.230 -6.334 1.00 0.00 N ATOM 462 CZ ARG A 180 6.139 -15.744 -7.283 1.00 0.00 C ATOM 463 NH1 ARG A 180 6.443 -15.601 -8.577 1.00 0.00 N ATOM 464 NH2 ARG A 180 5.021 -16.374 -6.940 1.00 0.00 N ATOM 0 H ARG A 180 8.683 -11.490 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 180 11.137 -12.888 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.525 -12.185 -6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.701 -13.477 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 180 9.233 -14.699 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.082 -13.378 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 180 7.930 -13.633 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 180 8.889 -15.091 -7.128 1.00 0.00 H new ATOM 0 HE ARG A 180 6.698 -15.389 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 180 7.290 -15.102 -8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 180 5.828 -15.991 -9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 180 4.772 -16.471 -5.956 1.00 0.00 H new ATOM 0 HH22 ARG A 180 4.412 -16.761 -7.661 1.00 0.00 H new ATOM 478 N GLN A 181 10.952 -10.087 -5.718 1.00 0.00 N ATOM 479 CA GLN A 181 11.649 -8.997 -6.383 1.00 0.00 C ATOM 480 C GLN A 181 12.469 -8.212 -5.384 1.00 0.00 C ATOM 481 O GLN A 181 13.568 -7.789 -5.671 1.00 0.00 O ATOM 482 CB GLN A 181 10.644 -8.068 -7.048 1.00 0.00 C ATOM 483 CG GLN A 181 9.706 -8.763 -8.013 1.00 0.00 C ATOM 484 CD GLN A 181 8.619 -7.849 -8.516 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.207 -6.904 -7.823 1.00 0.00 O ATOM 486 NE2 GLN A 181 8.130 -8.119 -9.684 1.00 0.00 N ATOM 0 H GLN A 181 9.940 -9.964 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 181 12.312 -9.419 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 181 10.054 -7.575 -6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.185 -7.287 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 181 10.277 -9.144 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.254 -9.624 -7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 181 8.497 -8.905 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.378 -7.546 -10.067 1.00 0.00 H new ATOM 495 N TYR A 182 11.918 -8.037 -4.207 1.00 0.00 N ATOM 496 CA TYR A 182 12.550 -7.346 -3.134 1.00 0.00 C ATOM 497 C TYR A 182 13.840 -8.034 -2.704 1.00 0.00 C ATOM 498 O TYR A 182 14.797 -7.371 -2.292 1.00 0.00 O ATOM 499 CB TYR A 182 11.576 -7.215 -1.981 1.00 0.00 C ATOM 500 CG TYR A 182 10.805 -5.910 -1.936 1.00 0.00 C ATOM 501 CD1 TYR A 182 11.472 -4.702 -1.807 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.419 -5.881 -2.020 1.00 0.00 C ATOM 503 CE1 TYR A 182 10.788 -3.505 -1.767 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.725 -4.686 -1.979 1.00 0.00 C ATOM 505 CZ TYR A 182 9.420 -3.500 -1.849 1.00 0.00 C ATOM 506 OH TYR A 182 8.740 -2.300 -1.804 1.00 0.00 O ATOM 0 H TYR A 182 10.989 -8.386 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 182 12.832 -6.349 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.864 -8.038 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 182 12.126 -7.327 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 182 12.550 -4.698 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 182 8.874 -6.808 -2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 182 11.329 -2.575 -1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 182 7.647 -4.680 -2.048 1.00 0.00 H new ATOM 0 HH TYR A 182 9.301 -1.591 -2.182 1.00 0.00 H new ATOM 516 N ALA A 183 13.876 -9.348 -2.812 1.00 0.00 N ATOM 517 CA ALA A 183 15.085 -10.089 -2.524 1.00 0.00 C ATOM 518 C ALA A 183 16.134 -9.740 -3.566 1.00 0.00 C ATOM 519 O ALA A 183 17.239 -9.300 -3.233 1.00 0.00 O ATOM 520 CB ALA A 183 14.816 -11.590 -2.527 1.00 0.00 C ATOM 0 H ALA A 183 13.082 -9.922 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 183 15.445 -9.818 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.740 -12.126 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 183 14.070 -11.828 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 183 14.445 -11.891 -3.507 1.00 0.00 H new ATOM 526 N GLU A 184 15.732 -9.854 -4.823 1.00 0.00 N ATOM 527 CA GLU A 184 16.592 -9.595 -5.969 1.00 0.00 C ATOM 528 C GLU A 184 17.105 -8.169 -5.986 1.00 0.00 C ATOM 529 O GLU A 184 18.296 -7.919 -6.171 1.00 0.00 O ATOM 530 CB GLU A 184 15.829 -9.838 -7.252 1.00 0.00 C ATOM 531 CG GLU A 184 15.360 -11.249 -7.442 1.00 0.00 C ATOM 532 CD GLU A 184 14.497 -11.372 -8.655 1.00 0.00 C ATOM 533 OE1 GLU A 184 15.033 -11.381 -9.776 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.261 -11.413 -8.516 1.00 0.00 O ATOM 0 H GLU A 184 14.785 -10.133 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 184 17.442 -10.272 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.964 -9.175 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 184 16.464 -9.564 -8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 184 16.220 -11.912 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 184 14.803 -11.572 -6.562 1.00 0.00 H new ATOM 541 N LYS A 185 16.211 -7.240 -5.772 1.00 0.00 N ATOM 542 CA LYS A 185 16.534 -5.847 -5.847 1.00 0.00 C ATOM 543 C LYS A 185 17.401 -5.354 -4.712 1.00 0.00 C ATOM 544 O LYS A 185 17.958 -4.281 -4.806 1.00 0.00 O ATOM 545 CB LYS A 185 15.316 -4.972 -6.137 1.00 0.00 C ATOM 546 CG LYS A 185 14.660 -5.380 -7.444 1.00 0.00 C ATOM 547 CD LYS A 185 13.574 -4.441 -7.902 1.00 0.00 C ATOM 548 CE LYS A 185 12.873 -5.011 -9.133 1.00 0.00 C ATOM 549 NZ LYS A 185 13.825 -5.394 -10.216 1.00 0.00 N ATOM 0 H LYS A 185 15.237 -7.433 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 185 17.175 -5.742 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.598 -5.058 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 185 15.617 -3.926 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.424 -5.441 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.239 -6.379 -7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 185 12.852 -4.289 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.000 -3.465 -8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 185 12.291 -5.885 -8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 185 12.169 -4.273 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 13.301 -5.547 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.520 -4.632 -10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 14.319 -6.270 -9.950 1.00 0.00 H new ATOM 563 N LYS A 186 17.447 -6.059 -3.606 1.00 0.00 N ATOM 564 CA LYS A 186 18.480 -5.749 -2.629 1.00 0.00 C ATOM 565 C LYS A 186 19.769 -6.514 -2.908 1.00 0.00 C ATOM 566 O LYS A 186 20.857 -5.961 -2.773 1.00 0.00 O ATOM 567 CB LYS A 186 18.056 -5.833 -1.150 1.00 0.00 C ATOM 568 CG LYS A 186 17.308 -4.591 -0.635 1.00 0.00 C ATOM 569 CD LYS A 186 15.843 -4.541 -1.052 1.00 0.00 C ATOM 570 CE LYS A 186 14.923 -5.153 0.013 1.00 0.00 C ATOM 571 NZ LYS A 186 15.228 -6.565 0.319 1.00 0.00 N ATOM 0 H LYS A 186 16.814 -6.820 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 186 18.673 -4.686 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.420 -6.708 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 186 18.944 -5.988 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 186 17.368 -4.567 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 186 17.812 -3.697 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 186 15.552 -3.506 -1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.715 -5.076 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 186 15.001 -4.567 0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 186 13.890 -5.079 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 14.538 -6.928 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 15.176 -7.128 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 16.185 -6.634 0.720 1.00 0.00 H new ATOM 585 N ALA A 187 19.637 -7.774 -3.323 1.00 0.00 N ATOM 586 CA ALA A 187 20.790 -8.634 -3.606 1.00 0.00 C ATOM 587 C ALA A 187 21.630 -8.107 -4.775 1.00 0.00 C ATOM 588 O ALA A 187 22.863 -8.032 -4.685 1.00 0.00 O ATOM 589 CB ALA A 187 20.342 -10.065 -3.875 1.00 0.00 C ATOM 0 H ALA A 187 18.735 -8.226 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 187 21.423 -8.623 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 187 21.213 -10.686 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.820 -10.453 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.672 -10.081 -4.735 1.00 0.00 H new ATOM 595 N LYS A 188 20.988 -7.773 -5.871 1.00 0.00 N ATOM 596 CA LYS A 188 21.697 -7.227 -7.018 1.00 0.00 C ATOM 597 C LYS A 188 21.638 -5.723 -6.970 1.00 0.00 C ATOM 598 O LYS A 188 22.652 -5.038 -7.171 1.00 0.00 O ATOM 599 CB LYS A 188 21.082 -7.674 -8.356 1.00 0.00 C ATOM 600 CG LYS A 188 21.018 -9.164 -8.596 1.00 0.00 C ATOM 601 CD LYS A 188 20.574 -9.450 -10.027 1.00 0.00 C ATOM 602 CE LYS A 188 20.414 -10.938 -10.298 1.00 0.00 C ATOM 603 NZ LYS A 188 19.266 -11.511 -9.579 1.00 0.00 N ATOM 0 H LYS A 188 19.980 -7.867 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 188 22.721 -7.595 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.070 -7.273 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 188 21.655 -7.221 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 188 21.996 -9.611 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 188 20.323 -9.623 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 188 19.627 -8.945 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 188 21.304 -9.033 -10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 188 20.288 -11.100 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 188 21.324 -11.460 -10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 19.112 -12.490 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 19.458 -11.503 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 18.416 -10.946 -9.776 1.00 0.00 H new ATOM 617 N LYS A 189 20.434 -5.230 -6.686 1.00 0.00 N ATOM 618 CA LYS A 189 20.081 -3.809 -6.703 1.00 0.00 C ATOM 619 C LYS A 189 19.906 -3.298 -8.126 1.00 0.00 C ATOM 620 O LYS A 189 20.507 -3.839 -9.060 1.00 0.00 O ATOM 621 CB LYS A 189 21.019 -2.915 -5.864 1.00 0.00 C ATOM 622 CG LYS A 189 20.853 -3.085 -4.373 1.00 0.00 C ATOM 623 CD LYS A 189 21.731 -2.131 -3.607 1.00 0.00 C ATOM 624 CE LYS A 189 21.489 -2.257 -2.116 1.00 0.00 C ATOM 625 NZ LYS A 189 22.319 -1.320 -1.352 1.00 0.00 N ATOM 0 H LYS A 189 19.649 -5.828 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 189 19.115 -3.736 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 189 22.052 -3.136 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 189 20.839 -1.872 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 189 19.811 -2.920 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 189 21.097 -4.110 -4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 189 22.778 -2.336 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 189 21.531 -1.108 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 189 20.437 -2.070 -1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 189 21.704 -3.277 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 22.127 -1.435 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 23.324 -1.515 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 22.096 -0.345 -1.639 1.00 0.00 H new ATOM 639 N PRO A 190 19.052 -2.276 -8.345 1.00 0.00 N ATOM 640 CA PRO A 190 18.801 -1.718 -9.682 1.00 0.00 C ATOM 641 C PRO A 190 19.930 -0.779 -10.122 1.00 0.00 C ATOM 642 O PRO A 190 19.689 0.281 -10.711 1.00 0.00 O ATOM 643 CB PRO A 190 17.482 -0.927 -9.498 1.00 0.00 C ATOM 644 CG PRO A 190 17.021 -1.223 -8.109 1.00 0.00 C ATOM 645 CD PRO A 190 18.245 -1.578 -7.335 1.00 0.00 C ATOM 0 HA PRO A 190 18.743 -2.489 -10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 190 17.644 0.142 -9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 190 16.736 -1.234 -10.231 1.00 0.00 H new ATOM 0 HG2 PRO A 190 16.520 -0.359 -7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 190 16.304 -2.044 -8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 190 18.752 -0.695 -6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 190 18.017 -2.217 -6.482 1.00 0.00 H new ATOM 653 N ALA A 191 21.151 -1.185 -9.860 1.00 0.00 N ATOM 654 CA ALA A 191 22.312 -0.424 -10.231 1.00 0.00 C ATOM 655 C ALA A 191 22.692 -0.771 -11.654 1.00 0.00 C ATOM 656 O ALA A 191 23.502 -1.671 -11.904 1.00 0.00 O ATOM 657 CB ALA A 191 23.471 -0.676 -9.270 1.00 0.00 C ATOM 0 H ALA A 191 21.363 -2.059 -9.380 1.00 0.00 H new ATOM 0 HA ALA A 191 22.079 0.639 -10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 191 24.334 -0.086 -9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 191 23.176 -0.388 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 191 23.732 -1.734 -9.284 1.00 0.00 H new ATOM 663 N LEU A 192 22.008 -0.137 -12.568 1.00 0.00 N ATOM 664 CA LEU A 192 22.214 -0.316 -13.980 1.00 0.00 C ATOM 665 C LEU A 192 22.250 1.037 -14.633 1.00 0.00 C ATOM 666 O LEU A 192 21.186 1.548 -15.046 1.00 0.00 O ATOM 667 CB LEU A 192 21.096 -1.180 -14.594 1.00 0.00 C ATOM 668 CG LEU A 192 21.041 -2.645 -14.145 1.00 0.00 C ATOM 669 CD1 LEU A 192 19.822 -3.337 -14.725 1.00 0.00 C ATOM 670 CD2 LEU A 192 22.303 -3.374 -14.569 1.00 0.00 C ATOM 671 OXT LEU A 192 23.328 1.639 -14.690 1.00 0.00 O ATOM 0 H LEU A 192 21.274 0.535 -12.346 1.00 0.00 H new ATOM 0 HA LEU A 192 23.158 -0.834 -14.146 1.00 0.00 H new ATOM 0 HB2 LEU A 192 20.138 -0.715 -14.361 1.00 0.00 H new ATOM 0 HB3 LEU A 192 21.205 -1.159 -15.678 1.00 0.00 H new ATOM 0 HG LEU A 192 20.968 -2.667 -13.058 1.00 0.00 H new ATOM 0 HD11 LEU A 192 19.801 -4.375 -14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 192 18.919 -2.830 -14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 192 19.868 -3.304 -15.814 1.00 0.00 H new ATOM 0 HD21 LEU A 192 22.250 -4.413 -14.243 1.00 0.00 H new ATOM 0 HD22 LEU A 192 22.397 -3.338 -15.654 1.00 0.00 H new ATOM 0 HD23 LEU A 192 23.170 -2.895 -14.114 1.00 0.00 H new TER 683 LEU A 192