USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=7 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 -78:sc= 0.958 USER MOD Single : A 162 SER OG : rot 180:sc= 0.134 USER MOD Single : A 164 ASN : amide:sc= -0.129 K(o=-0.13,f=-6.2!) USER MOD Single : A 169 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.971) USER MOD Single : A 173 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 181 GLN : amide:sc= -0.461 K(o=-0.46,f=-1.3) 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+ -168:sc= -0.0184 (180deg=-0.214) USER MOD Single : A 188 LYS NZ :NH3+ 170:sc= -0.0164 (180deg=-0.192) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 5.927 6.874 23.518 1.00 0.00 N ATOM 2 CA GLY A 149 6.045 7.846 22.441 1.00 0.00 C ATOM 3 C GLY A 149 4.919 7.692 21.458 1.00 0.00 C ATOM 4 O GLY A 149 3.881 7.106 21.800 1.00 0.00 O ATOM 0 HA2 GLY A 149 6.038 8.855 22.853 1.00 0.00 H new ATOM 0 HA3 GLY A 149 6.999 7.716 21.931 1.00 0.00 H new ATOM 10 N PRO A 150 5.078 8.192 20.224 1.00 0.00 N ATOM 11 CA PRO A 150 4.076 8.060 19.195 1.00 0.00 C ATOM 12 C PRO A 150 4.131 6.677 18.540 1.00 0.00 C ATOM 13 O PRO A 150 4.893 6.450 17.595 1.00 0.00 O ATOM 14 CB PRO A 150 4.432 9.154 18.169 1.00 0.00 C ATOM 15 CG PRO A 150 5.655 9.841 18.706 1.00 0.00 C ATOM 16 CD PRO A 150 6.245 8.927 19.737 1.00 0.00 C ATOM 0 HA PRO A 150 3.067 8.167 19.594 1.00 0.00 H new ATOM 0 HB2 PRO A 150 4.627 8.721 17.188 1.00 0.00 H new ATOM 0 HB3 PRO A 150 3.609 9.859 18.049 1.00 0.00 H new ATOM 0 HG2 PRO A 150 6.371 10.037 17.908 1.00 0.00 H new ATOM 0 HG3 PRO A 150 5.396 10.804 19.146 1.00 0.00 H new ATOM 0 HD2 PRO A 150 6.992 8.260 19.306 1.00 0.00 H new ATOM 0 HD3 PRO A 150 6.736 9.482 20.536 1.00 0.00 H new ATOM 24 N GLY A 151 3.388 5.754 19.090 1.00 0.00 N ATOM 25 CA GLY A 151 3.335 4.422 18.540 1.00 0.00 C ATOM 26 C GLY A 151 2.353 4.379 17.420 1.00 0.00 C ATOM 27 O GLY A 151 2.576 3.729 16.398 1.00 0.00 O ATOM 0 H GLY A 151 2.810 5.898 19.918 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.321 4.126 18.183 1.00 0.00 H new ATOM 0 HA3 GLY A 151 3.050 3.710 19.314 1.00 0.00 H new ATOM 31 N SER A 152 1.291 5.098 17.609 1.00 0.00 N ATOM 32 CA SER A 152 0.276 5.254 16.635 1.00 0.00 C ATOM 33 C SER A 152 0.044 6.725 16.413 1.00 0.00 C ATOM 34 O SER A 152 -0.818 7.329 17.027 1.00 0.00 O ATOM 35 CB SER A 152 -1.006 4.544 17.063 1.00 0.00 C ATOM 36 OG SER A 152 -0.788 3.148 17.130 1.00 0.00 O ATOM 0 H SER A 152 1.108 5.605 18.475 1.00 0.00 H new ATOM 0 HA SER A 152 0.592 4.796 15.698 1.00 0.00 H new ATOM 0 HB2 SER A 152 -1.330 4.917 18.035 1.00 0.00 H new ATOM 0 HB3 SER A 152 -1.806 4.762 16.355 1.00 0.00 H new ATOM 0 HG SER A 152 -0.802 2.771 16.226 1.00 0.00 H new ATOM 42 N GLU A 153 0.877 7.319 15.604 1.00 0.00 N ATOM 43 CA GLU A 153 0.770 8.724 15.348 1.00 0.00 C ATOM 44 C GLU A 153 -0.141 8.946 14.158 1.00 0.00 C ATOM 45 O GLU A 153 -1.209 9.543 14.270 1.00 0.00 O ATOM 46 CB GLU A 153 2.152 9.318 15.082 1.00 0.00 C ATOM 47 CG GLU A 153 2.163 10.831 14.959 1.00 0.00 C ATOM 48 CD GLU A 153 1.749 11.512 16.240 1.00 0.00 C ATOM 49 OE1 GLU A 153 2.603 11.690 17.128 1.00 0.00 O ATOM 50 OE2 GLU A 153 0.561 11.874 16.385 1.00 0.00 O ATOM 0 H GLU A 153 1.637 6.850 15.112 1.00 0.00 H new ATOM 0 HA GLU A 153 0.347 9.222 16.221 1.00 0.00 H new ATOM 0 HB2 GLU A 153 2.823 9.025 15.889 1.00 0.00 H new ATOM 0 HB3 GLU A 153 2.550 8.887 14.164 1.00 0.00 H new ATOM 0 HG2 GLU A 153 3.163 11.163 14.680 1.00 0.00 H new ATOM 0 HG3 GLU A 153 1.491 11.133 14.156 1.00 0.00 H new ATOM 57 N ASP A 154 0.263 8.430 13.031 1.00 0.00 N ATOM 58 CA ASP A 154 -0.495 8.606 11.821 1.00 0.00 C ATOM 59 C ASP A 154 -1.475 7.470 11.636 1.00 0.00 C ATOM 60 O ASP A 154 -2.588 7.669 11.161 1.00 0.00 O ATOM 61 CB ASP A 154 0.425 8.720 10.620 1.00 0.00 C ATOM 62 CG ASP A 154 -0.339 8.965 9.355 1.00 0.00 C ATOM 63 OD1 ASP A 154 -0.840 10.086 9.170 1.00 0.00 O ATOM 64 OD2 ASP A 154 -0.457 8.037 8.526 1.00 0.00 O ATOM 0 H ASP A 154 1.116 7.882 12.924 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.059 9.535 11.906 1.00 0.00 H new ATOM 0 HB2 ASP A 154 1.133 9.533 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 154 1.008 7.805 10.521 1.00 0.00 H new ATOM 69 N ASP A 155 -1.086 6.286 12.082 1.00 0.00 N ATOM 70 CA ASP A 155 -1.943 5.088 11.982 1.00 0.00 C ATOM 71 C ASP A 155 -3.088 5.142 12.980 1.00 0.00 C ATOM 72 O ASP A 155 -3.955 4.273 12.994 1.00 0.00 O ATOM 73 CB ASP A 155 -1.145 3.783 12.151 1.00 0.00 C ATOM 74 CG ASP A 155 -0.489 3.644 13.504 1.00 0.00 C ATOM 75 OD1 ASP A 155 0.578 4.258 13.711 1.00 0.00 O ATOM 76 OD2 ASP A 155 -1.014 2.913 14.384 1.00 0.00 O ATOM 0 H ASP A 155 -0.181 6.116 12.520 1.00 0.00 H new ATOM 0 HA ASP A 155 -2.360 5.089 10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -1.812 2.936 11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -0.378 3.734 11.378 1.00 0.00 H new ATOM 81 N ASP A 156 -3.075 6.165 13.821 1.00 0.00 N ATOM 82 CA ASP A 156 -4.178 6.431 14.736 1.00 0.00 C ATOM 83 C ASP A 156 -5.360 6.947 13.936 1.00 0.00 C ATOM 84 O ASP A 156 -6.519 6.684 14.255 1.00 0.00 O ATOM 85 CB ASP A 156 -3.778 7.470 15.782 1.00 0.00 C ATOM 86 CG ASP A 156 -4.923 7.851 16.700 1.00 0.00 C ATOM 87 OD1 ASP A 156 -5.217 7.099 17.659 1.00 0.00 O ATOM 88 OD2 ASP A 156 -5.544 8.917 16.489 1.00 0.00 O ATOM 0 H ASP A 156 -2.306 6.831 13.890 1.00 0.00 H new ATOM 0 HA ASP A 156 -4.442 5.509 15.254 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -2.954 7.079 16.379 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -3.410 8.363 15.278 1.00 0.00 H new ATOM 93 N ILE A 157 -5.051 7.658 12.873 1.00 0.00 N ATOM 94 CA ILE A 157 -6.049 8.189 11.998 1.00 0.00 C ATOM 95 C ILE A 157 -6.465 7.073 11.058 1.00 0.00 C ATOM 96 O ILE A 157 -5.651 6.584 10.265 1.00 0.00 O ATOM 97 CB ILE A 157 -5.513 9.404 11.194 1.00 0.00 C ATOM 98 CG1 ILE A 157 -4.919 10.471 12.144 1.00 0.00 C ATOM 99 CG2 ILE A 157 -6.618 10.013 10.328 1.00 0.00 C ATOM 100 CD1 ILE A 157 -5.899 11.039 13.164 1.00 0.00 C ATOM 0 H ILE A 157 -4.094 7.879 12.599 1.00 0.00 H new ATOM 0 HA ILE A 157 -6.899 8.547 12.579 1.00 0.00 H new ATOM 0 HB ILE A 157 -4.719 9.050 10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.076 10.032 12.677 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -4.525 11.292 11.544 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -6.219 10.863 9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.986 9.263 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.437 10.347 10.965 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -5.391 11.778 13.784 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -6.732 11.512 12.644 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -6.275 10.234 13.795 1.00 0.00 H new ATOM 112 N ASP A 158 -7.714 6.671 11.195 1.00 0.00 N ATOM 113 CA ASP A 158 -8.319 5.538 10.486 1.00 0.00 C ATOM 114 C ASP A 158 -8.079 5.580 8.997 1.00 0.00 C ATOM 115 O ASP A 158 -8.210 6.627 8.359 1.00 0.00 O ATOM 116 CB ASP A 158 -9.833 5.500 10.726 1.00 0.00 C ATOM 117 CG ASP A 158 -10.208 5.425 12.177 1.00 0.00 C ATOM 118 OD1 ASP A 158 -10.343 6.489 12.826 1.00 0.00 O ATOM 119 OD2 ASP A 158 -10.373 4.323 12.707 1.00 0.00 O ATOM 0 H ASP A 158 -8.368 7.136 11.825 1.00 0.00 H new ATOM 0 HA ASP A 158 -7.840 4.644 10.886 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -10.285 6.390 10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -10.254 4.640 10.205 1.00 0.00 H new ATOM 124 N LEU A 159 -7.716 4.457 8.454 1.00 0.00 N ATOM 125 CA LEU A 159 -7.537 4.322 7.038 1.00 0.00 C ATOM 126 C LEU A 159 -8.822 3.770 6.467 1.00 0.00 C ATOM 127 O LEU A 159 -9.113 2.569 6.584 1.00 0.00 O ATOM 128 CB LEU A 159 -6.340 3.411 6.662 1.00 0.00 C ATOM 129 CG LEU A 159 -4.916 3.906 7.012 1.00 0.00 C ATOM 130 CD1 LEU A 159 -4.634 3.868 8.512 1.00 0.00 C ATOM 131 CD2 LEU A 159 -3.877 3.102 6.250 1.00 0.00 C ATOM 0 H LEU A 159 -7.535 3.604 8.983 1.00 0.00 H new ATOM 0 HA LEU A 159 -7.305 5.301 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -6.488 2.447 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -6.378 3.235 5.587 1.00 0.00 H new ATOM 0 HG LEU A 159 -4.855 4.951 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -3.622 4.225 8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.348 4.507 9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -4.731 2.845 8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.880 3.461 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -3.963 2.049 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.041 3.218 5.179 1.00 0.00 H new ATOM 143 N PHE A 160 -9.621 4.642 5.930 1.00 0.00 N ATOM 144 CA PHE A 160 -10.905 4.266 5.398 1.00 0.00 C ATOM 145 C PHE A 160 -10.743 3.592 4.043 1.00 0.00 C ATOM 146 O PHE A 160 -9.898 3.999 3.228 1.00 0.00 O ATOM 147 CB PHE A 160 -11.837 5.489 5.317 1.00 0.00 C ATOM 148 CG PHE A 160 -12.068 6.148 6.660 1.00 0.00 C ATOM 149 CD1 PHE A 160 -13.002 5.646 7.538 1.00 0.00 C ATOM 150 CD2 PHE A 160 -11.326 7.250 7.049 1.00 0.00 C ATOM 151 CE1 PHE A 160 -13.198 6.233 8.776 1.00 0.00 C ATOM 152 CE2 PHE A 160 -11.517 7.834 8.284 1.00 0.00 C ATOM 153 CZ PHE A 160 -12.453 7.325 9.146 1.00 0.00 C ATOM 0 H PHE A 160 -9.405 5.635 5.846 1.00 0.00 H new ATOM 0 HA PHE A 160 -11.367 3.545 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -11.410 6.219 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -12.796 5.181 4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -13.589 4.784 7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -10.587 7.658 6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -13.938 5.831 9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -10.929 8.693 8.572 1.00 0.00 H new ATOM 0 HZ PHE A 160 -12.604 7.781 10.113 1.00 0.00 H new ATOM 163 N GLY A 161 -11.493 2.540 3.838 1.00 0.00 N ATOM 164 CA GLY A 161 -11.464 1.820 2.583 1.00 0.00 C ATOM 165 C GLY A 161 -11.295 0.346 2.813 1.00 0.00 C ATOM 166 O GLY A 161 -12.053 -0.479 2.288 1.00 0.00 O ATOM 0 H GLY A 161 -12.138 2.157 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -12.387 2.003 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.646 2.192 1.965 1.00 0.00 H new ATOM 170 N SER A 162 -10.365 0.017 3.678 1.00 0.00 N ATOM 171 CA SER A 162 -10.034 -1.351 4.030 1.00 0.00 C ATOM 172 C SER A 162 -10.994 -1.897 5.101 1.00 0.00 C ATOM 173 O SER A 162 -10.696 -2.865 5.824 1.00 0.00 O ATOM 174 CB SER A 162 -8.596 -1.350 4.501 1.00 0.00 C ATOM 175 OG SER A 162 -8.328 -0.151 5.228 1.00 0.00 O ATOM 0 H SER A 162 -9.801 0.709 4.171 1.00 0.00 H new ATOM 0 HA SER A 162 -10.144 -2.012 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 162 -8.410 -2.219 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 162 -7.923 -1.427 3.647 1.00 0.00 H new ATOM 0 HG SER A 162 -7.397 -0.155 5.533 1.00 0.00 H new ATOM 181 N ASP A 163 -12.146 -1.275 5.166 1.00 0.00 N ATOM 182 CA ASP A 163 -13.213 -1.647 6.057 1.00 0.00 C ATOM 183 C ASP A 163 -14.091 -2.649 5.353 1.00 0.00 C ATOM 184 O ASP A 163 -14.611 -3.599 5.962 1.00 0.00 O ATOM 185 CB ASP A 163 -14.099 -0.438 6.351 1.00 0.00 C ATOM 186 CG ASP A 163 -13.363 0.786 6.812 1.00 0.00 C ATOM 187 OD1 ASP A 163 -12.882 1.548 5.948 1.00 0.00 O ATOM 188 OD2 ASP A 163 -13.296 1.037 8.039 1.00 0.00 O ATOM 0 H ASP A 163 -12.372 -0.471 4.581 1.00 0.00 H new ATOM 0 HA ASP A 163 -12.780 -2.043 6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -14.660 -0.189 5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.827 -0.716 7.114 1.00 0.00 H new ATOM 193 N ASN A 164 -14.270 -2.427 4.064 1.00 0.00 N ATOM 194 CA ASN A 164 -15.177 -3.230 3.265 1.00 0.00 C ATOM 195 C ASN A 164 -14.542 -3.716 1.962 1.00 0.00 C ATOM 196 O ASN A 164 -14.962 -4.738 1.416 1.00 0.00 O ATOM 197 CB ASN A 164 -16.511 -2.465 3.006 1.00 0.00 C ATOM 198 CG ASN A 164 -16.369 -1.137 2.236 1.00 0.00 C ATOM 199 OD1 ASN A 164 -15.535 -0.982 1.348 1.00 0.00 O ATOM 200 ND2 ASN A 164 -17.153 -0.161 2.612 1.00 0.00 N ATOM 0 H ASN A 164 -13.794 -1.690 3.544 1.00 0.00 H new ATOM 0 HA ASN A 164 -15.405 -4.126 3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -17.183 -3.118 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -16.986 -2.261 3.966 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -17.079 0.753 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -17.838 -0.314 3.352 1.00 0.00 H new ATOM 207 N GLU A 165 -13.521 -2.982 1.488 1.00 0.00 N ATOM 208 CA GLU A 165 -12.813 -3.264 0.239 1.00 0.00 C ATOM 209 C GLU A 165 -13.778 -3.510 -0.923 1.00 0.00 C ATOM 210 O GLU A 165 -13.698 -4.533 -1.615 1.00 0.00 O ATOM 211 CB GLU A 165 -11.800 -4.414 0.351 1.00 0.00 C ATOM 212 CG GLU A 165 -10.701 -4.228 1.388 1.00 0.00 C ATOM 213 CD GLU A 165 -11.009 -4.853 2.724 1.00 0.00 C ATOM 214 OE1 GLU A 165 -11.851 -4.356 3.448 1.00 0.00 O ATOM 215 OE2 GLU A 165 -10.387 -5.889 3.066 1.00 0.00 O ATOM 0 H GLU A 165 -13.162 -2.161 1.976 1.00 0.00 H new ATOM 0 HA GLU A 165 -12.239 -2.361 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -12.343 -5.330 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -11.334 -4.559 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -9.775 -4.656 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -10.525 -3.162 1.529 1.00 0.00 H new ATOM 222 N GLU A 166 -14.682 -2.566 -1.122 1.00 0.00 N ATOM 223 CA GLU A 166 -15.699 -2.629 -2.175 1.00 0.00 C ATOM 224 C GLU A 166 -15.111 -2.779 -3.598 1.00 0.00 C ATOM 225 O GLU A 166 -15.788 -3.272 -4.497 1.00 0.00 O ATOM 226 CB GLU A 166 -16.619 -1.415 -2.102 1.00 0.00 C ATOM 227 CG GLU A 166 -15.887 -0.089 -2.103 1.00 0.00 C ATOM 228 CD GLU A 166 -16.818 1.070 -2.247 1.00 0.00 C ATOM 229 OE1 GLU A 166 -17.360 1.556 -1.226 1.00 0.00 O ATOM 230 OE2 GLU A 166 -17.020 1.528 -3.392 1.00 0.00 O ATOM 0 H GLU A 166 -14.737 -1.721 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 166 -16.274 -3.536 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -17.306 -1.440 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -17.224 -1.484 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -15.323 0.013 -1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -15.164 -0.076 -2.919 1.00 0.00 H new ATOM 237 N GLU A 167 -13.869 -2.344 -3.791 1.00 0.00 N ATOM 238 CA GLU A 167 -13.192 -2.494 -5.080 1.00 0.00 C ATOM 239 C GLU A 167 -12.982 -3.992 -5.361 1.00 0.00 C ATOM 240 O GLU A 167 -13.487 -4.539 -6.353 1.00 0.00 O ATOM 241 CB GLU A 167 -11.837 -1.777 -5.020 1.00 0.00 C ATOM 242 CG GLU A 167 -11.026 -1.840 -6.303 1.00 0.00 C ATOM 243 CD GLU A 167 -9.672 -1.209 -6.152 1.00 0.00 C ATOM 244 OE1 GLU A 167 -9.571 0.031 -6.205 1.00 0.00 O ATOM 245 OE2 GLU A 167 -8.678 -1.931 -5.940 1.00 0.00 O ATOM 0 H GLU A 167 -13.309 -1.885 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 167 -13.794 -2.057 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -12.006 -0.731 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -11.248 -2.211 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -10.908 -2.881 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -11.572 -1.337 -7.101 1.00 0.00 H new ATOM 252 N ASP A 168 -12.282 -4.620 -4.440 1.00 0.00 N ATOM 253 CA ASP A 168 -11.967 -6.041 -4.409 1.00 0.00 C ATOM 254 C ASP A 168 -11.081 -6.241 -3.216 1.00 0.00 C ATOM 255 O ASP A 168 -10.097 -5.515 -3.049 1.00 0.00 O ATOM 256 CB ASP A 168 -11.280 -6.539 -5.692 1.00 0.00 C ATOM 257 CG ASP A 168 -10.984 -8.023 -5.644 1.00 0.00 C ATOM 258 OD1 ASP A 168 -11.865 -8.841 -5.971 1.00 0.00 O ATOM 259 OD2 ASP A 168 -9.886 -8.398 -5.254 1.00 0.00 O ATOM 0 H ASP A 168 -11.891 -4.123 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.887 -6.622 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -11.918 -6.325 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -10.350 -5.990 -5.841 1.00 0.00 H new ATOM 264 N LYS A 169 -11.449 -7.159 -2.366 1.00 0.00 N ATOM 265 CA LYS A 169 -10.761 -7.361 -1.102 1.00 0.00 C ATOM 266 C LYS A 169 -9.353 -7.889 -1.311 1.00 0.00 C ATOM 267 O LYS A 169 -8.409 -7.478 -0.615 1.00 0.00 O ATOM 268 CB LYS A 169 -11.570 -8.287 -0.206 1.00 0.00 C ATOM 269 CG LYS A 169 -11.070 -8.348 1.217 1.00 0.00 C ATOM 270 CD LYS A 169 -11.921 -9.262 2.060 1.00 0.00 C ATOM 271 CE LYS A 169 -11.480 -9.237 3.509 1.00 0.00 C ATOM 272 NZ LYS A 169 -11.724 -7.924 4.150 1.00 0.00 N ATOM 0 H LYS A 169 -12.233 -7.793 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 169 -10.669 -6.394 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.609 -7.957 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.556 -9.291 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -10.038 -8.698 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -11.071 -7.347 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -12.966 -8.959 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.858 -10.280 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -12.011 -10.012 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -10.418 -9.475 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -11.750 -8.042 5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.960 -7.266 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -12.634 -7.541 3.822 1.00 0.00 H new ATOM 286 N GLU A 170 -9.207 -8.740 -2.297 1.00 0.00 N ATOM 287 CA GLU A 170 -7.935 -9.319 -2.623 1.00 0.00 C ATOM 288 C GLU A 170 -7.068 -8.248 -3.290 1.00 0.00 C ATOM 289 O GLU A 170 -5.867 -8.162 -3.034 1.00 0.00 O ATOM 290 CB GLU A 170 -8.150 -10.526 -3.543 1.00 0.00 C ATOM 291 CG GLU A 170 -6.902 -11.313 -3.899 1.00 0.00 C ATOM 292 CD GLU A 170 -6.237 -11.926 -2.698 1.00 0.00 C ATOM 293 OE1 GLU A 170 -6.803 -12.850 -2.102 1.00 0.00 O ATOM 294 OE2 GLU A 170 -5.123 -11.497 -2.335 1.00 0.00 O ATOM 0 H GLU A 170 -9.973 -9.049 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.424 -9.669 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.859 -11.202 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -8.613 -10.178 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -7.164 -12.101 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -6.195 -10.655 -4.404 1.00 0.00 H new ATOM 301 N ALA A 171 -7.708 -7.395 -4.101 1.00 0.00 N ATOM 302 CA ALA A 171 -7.018 -6.302 -4.766 1.00 0.00 C ATOM 303 C ALA A 171 -6.450 -5.339 -3.758 1.00 0.00 C ATOM 304 O ALA A 171 -5.294 -4.965 -3.846 1.00 0.00 O ATOM 305 CB ALA A 171 -7.926 -5.566 -5.733 1.00 0.00 C ATOM 0 H ALA A 171 -8.705 -7.448 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.202 -6.740 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.372 -4.757 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.283 -6.258 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.777 -5.153 -5.191 1.00 0.00 H new ATOM 311 N ALA A 172 -7.258 -4.965 -2.782 1.00 0.00 N ATOM 312 CA ALA A 172 -6.819 -4.051 -1.742 1.00 0.00 C ATOM 313 C ALA A 172 -5.663 -4.658 -0.954 1.00 0.00 C ATOM 314 O ALA A 172 -4.662 -3.985 -0.681 1.00 0.00 O ATOM 315 CB ALA A 172 -7.966 -3.706 -0.823 1.00 0.00 C ATOM 0 H ALA A 172 -8.223 -5.281 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.469 -3.132 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.619 -3.020 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.762 -3.233 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.346 -4.616 -0.358 1.00 0.00 H new ATOM 321 N GLN A 173 -5.782 -5.945 -0.666 1.00 0.00 N ATOM 322 CA GLN A 173 -4.780 -6.676 0.086 1.00 0.00 C ATOM 323 C GLN A 173 -3.448 -6.685 -0.665 1.00 0.00 C ATOM 324 O GLN A 173 -2.383 -6.437 -0.074 1.00 0.00 O ATOM 325 CB GLN A 173 -5.261 -8.106 0.341 1.00 0.00 C ATOM 326 CG GLN A 173 -4.360 -8.929 1.250 1.00 0.00 C ATOM 327 CD GLN A 173 -4.875 -10.339 1.476 1.00 0.00 C ATOM 328 OE1 GLN A 173 -5.504 -10.917 0.488 1.00 0.00 O flip ATOM 329 NE2 GLN A 173 -4.663 -10.927 2.538 1.00 0.00 N flip ATOM 0 H GLN A 173 -6.581 -6.512 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.628 -6.180 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -6.258 -8.066 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.354 -8.619 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.362 -8.978 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -4.265 -8.424 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -4.169 -10.452 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -4.981 -11.888 2.661 1.00 0.00 H new ATOM 338 N LEU A 174 -3.509 -6.925 -1.976 1.00 0.00 N ATOM 339 CA LEU A 174 -2.309 -6.970 -2.779 1.00 0.00 C ATOM 340 C LEU A 174 -1.692 -5.595 -2.979 1.00 0.00 C ATOM 341 O LEU A 174 -0.513 -5.508 -3.267 1.00 0.00 O ATOM 342 CB LEU A 174 -2.541 -7.705 -4.122 1.00 0.00 C ATOM 343 CG LEU A 174 -3.542 -7.098 -5.113 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.938 -5.981 -5.963 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.166 -8.170 -5.964 1.00 0.00 C ATOM 0 H LEU A 174 -4.374 -7.089 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.580 -7.554 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.579 -7.787 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -2.870 -8.719 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.329 -6.629 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.695 -5.592 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.587 -5.179 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.100 -6.374 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -4.873 -7.717 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.388 -8.689 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.690 -8.882 -5.326 1.00 0.00 H new ATOM 357 N ARG A 175 -2.494 -4.517 -2.833 1.00 0.00 N ATOM 358 CA ARG A 175 -1.959 -3.148 -2.970 1.00 0.00 C ATOM 359 C ARG A 175 -0.870 -2.970 -1.938 1.00 0.00 C ATOM 360 O ARG A 175 0.259 -2.604 -2.268 1.00 0.00 O ATOM 361 CB ARG A 175 -3.023 -2.054 -2.738 1.00 0.00 C ATOM 362 CG ARG A 175 -4.284 -2.143 -3.580 1.00 0.00 C ATOM 363 CD ARG A 175 -4.042 -2.053 -5.084 1.00 0.00 C ATOM 364 NE ARG A 175 -5.321 -2.156 -5.818 1.00 0.00 N ATOM 365 CZ ARG A 175 -5.476 -2.390 -7.135 1.00 0.00 C ATOM 366 NH1 ARG A 175 -4.420 -2.478 -7.942 1.00 0.00 N ATOM 367 NH2 ARG A 175 -6.698 -2.493 -7.637 1.00 0.00 N ATOM 0 H ARG A 175 -3.491 -4.567 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.594 -3.037 -3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.312 -2.077 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.560 -1.084 -2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.788 -3.084 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.962 -1.342 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -3.552 -1.109 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -3.369 -2.851 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 175 -6.174 -2.038 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -3.479 -2.368 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -4.552 -2.656 -8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.510 -2.395 -7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -6.827 -2.670 -8.633 1.00 0.00 H new ATOM 381 N GLU A 176 -1.220 -3.293 -0.695 1.00 0.00 N ATOM 382 CA GLU A 176 -0.286 -3.243 0.423 1.00 0.00 C ATOM 383 C GLU A 176 0.935 -4.110 0.154 1.00 0.00 C ATOM 384 O GLU A 176 2.065 -3.625 0.141 1.00 0.00 O ATOM 385 CB GLU A 176 -0.954 -3.707 1.734 1.00 0.00 C ATOM 386 CG GLU A 176 -1.766 -2.652 2.484 1.00 0.00 C ATOM 387 CD GLU A 176 -2.868 -2.014 1.683 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.621 -0.972 1.036 1.00 0.00 O ATOM 389 OE2 GLU A 176 -4.017 -2.488 1.743 1.00 0.00 O ATOM 0 H GLU A 176 -2.159 -3.596 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 176 0.025 -2.204 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.610 -4.547 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.177 -4.081 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -2.201 -3.112 3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -1.089 -1.871 2.830 1.00 0.00 H new ATOM 396 N GLU A 177 0.694 -5.368 -0.125 1.00 0.00 N ATOM 397 CA GLU A 177 1.760 -6.336 -0.285 1.00 0.00 C ATOM 398 C GLU A 177 2.705 -6.040 -1.462 1.00 0.00 C ATOM 399 O GLU A 177 3.923 -6.207 -1.327 1.00 0.00 O ATOM 400 CB GLU A 177 1.204 -7.749 -0.354 1.00 0.00 C ATOM 401 CG GLU A 177 0.439 -8.163 0.899 1.00 0.00 C ATOM 402 CD GLU A 177 1.271 -8.057 2.161 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.086 -8.975 2.445 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.111 -7.083 2.909 1.00 0.00 O ATOM 0 H GLU A 177 -0.243 -5.752 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 177 2.381 -6.248 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.543 -7.829 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 177 2.026 -8.447 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.447 -7.537 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.092 -9.190 0.784 1.00 0.00 H new ATOM 411 N ARG A 178 2.180 -5.572 -2.599 1.00 0.00 N ATOM 412 CA ARG A 178 3.051 -5.295 -3.736 1.00 0.00 C ATOM 413 C ARG A 178 3.853 -4.026 -3.507 1.00 0.00 C ATOM 414 O ARG A 178 4.971 -3.893 -4.008 1.00 0.00 O ATOM 415 CB ARG A 178 2.281 -5.228 -5.058 1.00 0.00 C ATOM 416 CG ARG A 178 1.314 -4.073 -5.179 1.00 0.00 C ATOM 417 CD ARG A 178 0.518 -4.162 -6.455 1.00 0.00 C ATOM 418 NE ARG A 178 1.349 -4.001 -7.663 1.00 0.00 N ATOM 419 CZ ARG A 178 1.261 -4.776 -8.766 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.477 -5.846 -8.774 1.00 0.00 N ATOM 421 NH2 ARG A 178 1.981 -4.497 -9.845 1.00 0.00 N ATOM 0 H ARG A 178 1.189 -5.383 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 178 3.745 -6.132 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 178 2.999 -5.168 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.729 -6.159 -5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.637 -4.070 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.863 -3.131 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.011 -5.126 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -0.257 -3.395 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 178 2.040 -3.251 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -0.064 -6.088 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.415 -6.427 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 178 2.607 -3.692 -9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 178 1.908 -5.088 -10.673 1.00 0.00 H new ATOM 435 N LEU A 179 3.284 -3.112 -2.734 1.00 0.00 N ATOM 436 CA LEU A 179 3.944 -1.876 -2.391 1.00 0.00 C ATOM 437 C LEU A 179 5.104 -2.232 -1.467 1.00 0.00 C ATOM 438 O LEU A 179 6.250 -1.921 -1.753 1.00 0.00 O ATOM 439 CB LEU A 179 2.920 -0.926 -1.693 1.00 0.00 C ATOM 440 CG LEU A 179 3.281 0.576 -1.485 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.452 0.786 -0.534 1.00 0.00 C ATOM 442 CD2 LEU A 179 3.535 1.263 -2.822 1.00 0.00 C ATOM 0 H LEU A 179 2.352 -3.213 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 179 4.325 -1.356 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 179 1.996 -0.962 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.700 -1.347 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 179 2.415 1.037 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.652 1.853 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 179 4.207 0.369 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 179 5.336 0.287 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 179 3.785 2.310 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 179 4.363 0.771 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 179 2.639 1.200 -3.439 1.00 0.00 H new ATOM 454 N ARG A 180 4.779 -2.965 -0.413 1.00 0.00 N ATOM 455 CA ARG A 180 5.741 -3.387 0.607 1.00 0.00 C ATOM 456 C ARG A 180 6.906 -4.184 0.019 1.00 0.00 C ATOM 457 O ARG A 180 8.065 -3.858 0.264 1.00 0.00 O ATOM 458 CB ARG A 180 5.029 -4.199 1.706 1.00 0.00 C ATOM 459 CG ARG A 180 4.006 -3.401 2.526 1.00 0.00 C ATOM 460 CD ARG A 180 4.632 -2.539 3.630 1.00 0.00 C ATOM 461 NE ARG A 180 5.730 -1.679 3.173 1.00 0.00 N ATOM 462 CZ ARG A 180 5.706 -0.350 3.086 1.00 0.00 C ATOM 463 NH1 ARG A 180 4.556 0.324 3.203 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.834 0.291 2.828 1.00 0.00 N ATOM 0 H ARG A 180 3.829 -3.290 -0.235 1.00 0.00 H new ATOM 0 HA ARG A 180 6.166 -2.483 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.523 -5.047 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.780 -4.606 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.438 -2.757 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.297 -4.094 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 180 3.856 -1.914 4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 180 5.002 -3.193 4.420 1.00 0.00 H new ATOM 0 HE ARG A 180 6.595 -2.144 2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.683 -0.180 3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 180 4.552 1.342 3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 180 7.700 -0.232 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 180 6.838 1.309 2.757 1.00 0.00 H new ATOM 478 N GLN A 181 6.609 -5.191 -0.798 1.00 0.00 N ATOM 479 CA GLN A 181 7.669 -6.036 -1.348 1.00 0.00 C ATOM 480 C GLN A 181 8.594 -5.255 -2.273 1.00 0.00 C ATOM 481 O GLN A 181 9.809 -5.421 -2.240 1.00 0.00 O ATOM 482 CB GLN A 181 7.096 -7.322 -2.008 1.00 0.00 C ATOM 483 CG GLN A 181 6.297 -7.169 -3.321 1.00 0.00 C ATOM 484 CD GLN A 181 7.162 -6.995 -4.569 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.286 -7.483 -4.641 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.647 -6.308 -5.547 1.00 0.00 N ATOM 0 H GLN A 181 5.664 -5.440 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 181 8.287 -6.371 -0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.929 -7.998 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.450 -7.812 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.664 -8.047 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.634 -6.309 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.710 -5.915 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.180 -6.162 -6.404 1.00 0.00 H new ATOM 495 N TYR A 182 8.024 -4.362 -3.047 1.00 0.00 N ATOM 496 CA TYR A 182 8.810 -3.581 -3.987 1.00 0.00 C ATOM 497 C TYR A 182 9.619 -2.528 -3.241 1.00 0.00 C ATOM 498 O TYR A 182 10.698 -2.144 -3.670 1.00 0.00 O ATOM 499 CB TYR A 182 7.909 -2.924 -5.044 1.00 0.00 C ATOM 500 CG TYR A 182 8.664 -2.243 -6.172 1.00 0.00 C ATOM 501 CD1 TYR A 182 9.028 -2.952 -7.308 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.015 -0.899 -6.101 1.00 0.00 C ATOM 503 CE1 TYR A 182 9.713 -2.341 -8.340 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.701 -0.286 -7.126 1.00 0.00 C ATOM 505 CZ TYR A 182 10.048 -1.009 -8.241 1.00 0.00 C ATOM 506 OH TYR A 182 10.721 -0.392 -9.279 1.00 0.00 O ATOM 0 H TYR A 182 7.025 -4.155 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 182 9.497 -4.251 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.253 -3.684 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.270 -2.189 -4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.772 -3.998 -7.386 1.00 0.00 H new ATOM 0 HD2 TYR A 182 8.745 -0.326 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.985 -2.905 -9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 182 9.965 0.759 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 182 10.881 0.548 -9.052 1.00 0.00 H new ATOM 516 N ALA A 183 9.101 -2.105 -2.120 1.00 0.00 N ATOM 517 CA ALA A 183 9.723 -1.093 -1.308 1.00 0.00 C ATOM 518 C ALA A 183 10.873 -1.660 -0.476 1.00 0.00 C ATOM 519 O ALA A 183 12.014 -1.174 -0.563 1.00 0.00 O ATOM 520 CB ALA A 183 8.682 -0.467 -0.407 1.00 0.00 C ATOM 0 H ALA A 183 8.223 -2.458 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 183 10.145 -0.336 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.149 0.300 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.898 -0.016 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.248 -1.234 0.235 1.00 0.00 H new ATOM 526 N GLU A 184 10.586 -2.690 0.308 1.00 0.00 N ATOM 527 CA GLU A 184 11.568 -3.275 1.206 1.00 0.00 C ATOM 528 C GLU A 184 12.578 -4.175 0.499 1.00 0.00 C ATOM 529 O GLU A 184 13.788 -3.968 0.638 1.00 0.00 O ATOM 530 CB GLU A 184 10.924 -4.011 2.385 1.00 0.00 C ATOM 531 CG GLU A 184 10.341 -3.114 3.487 1.00 0.00 C ATOM 532 CD GLU A 184 9.116 -2.335 3.082 1.00 0.00 C ATOM 533 OE1 GLU A 184 8.030 -2.927 3.057 1.00 0.00 O ATOM 534 OE2 GLU A 184 9.208 -1.093 2.841 1.00 0.00 O ATOM 0 H GLU A 184 9.671 -3.140 0.339 1.00 0.00 H new ATOM 0 HA GLU A 184 12.122 -2.424 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.128 -4.649 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 184 11.671 -4.667 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.092 -3.734 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.110 -2.413 3.811 1.00 0.00 H new ATOM 541 N LYS A 185 12.100 -5.180 -0.230 1.00 0.00 N ATOM 542 CA LYS A 185 12.996 -6.084 -0.981 1.00 0.00 C ATOM 543 C LYS A 185 13.682 -5.311 -2.089 1.00 0.00 C ATOM 544 O LYS A 185 14.895 -5.461 -2.327 1.00 0.00 O ATOM 545 CB LYS A 185 12.204 -7.220 -1.638 1.00 0.00 C ATOM 546 CG LYS A 185 11.418 -8.109 -0.700 1.00 0.00 C ATOM 547 CD LYS A 185 12.318 -8.976 0.153 1.00 0.00 C ATOM 548 CE LYS A 185 11.507 -9.971 0.956 1.00 0.00 C ATOM 549 NZ LYS A 185 12.363 -10.826 1.802 1.00 0.00 N ATOM 0 H LYS A 185 11.107 -5.396 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 185 13.720 -6.495 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 185 11.512 -6.784 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 185 12.899 -7.843 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 185 10.793 -7.491 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 185 10.748 -8.744 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 185 13.027 -9.507 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 185 12.902 -8.349 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 185 10.795 -9.436 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 185 10.926 -10.597 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 11.769 -11.493 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 13.026 -11.357 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.898 -10.232 2.467 1.00 0.00 H new ATOM 563 N LYS A 186 12.896 -4.430 -2.696 1.00 0.00 N ATOM 564 CA LYS A 186 13.250 -3.666 -3.844 1.00 0.00 C ATOM 565 C LYS A 186 13.501 -4.576 -5.042 1.00 0.00 C ATOM 566 O LYS A 186 14.615 -5.054 -5.265 1.00 0.00 O ATOM 567 CB LYS A 186 14.394 -2.749 -3.543 1.00 0.00 C ATOM 568 CG LYS A 186 14.666 -1.704 -4.605 1.00 0.00 C ATOM 569 CD LYS A 186 13.551 -0.667 -4.666 1.00 0.00 C ATOM 570 CE LYS A 186 13.731 0.265 -5.844 1.00 0.00 C ATOM 571 NZ LYS A 186 15.062 0.886 -5.866 1.00 0.00 N ATOM 0 H LYS A 186 11.950 -4.233 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 186 12.412 -3.025 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 186 14.197 -2.243 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 186 15.294 -3.348 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 186 15.614 -1.209 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 186 14.767 -2.188 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 186 12.587 -1.170 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 186 13.537 -0.090 -3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 186 13.576 -0.289 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 186 12.970 1.044 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 15.073 1.660 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 15.284 1.264 -4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 15.773 0.174 -6.130 1.00 0.00 H new ATOM 585 N ALA A 187 12.434 -4.865 -5.760 1.00 0.00 N ATOM 586 CA ALA A 187 12.482 -5.754 -6.903 1.00 0.00 C ATOM 587 C ALA A 187 13.261 -5.130 -8.045 1.00 0.00 C ATOM 588 O ALA A 187 12.904 -4.053 -8.560 1.00 0.00 O ATOM 589 CB ALA A 187 11.076 -6.131 -7.349 1.00 0.00 C ATOM 0 H ALA A 187 11.506 -4.488 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 187 13.001 -6.664 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 187 11.134 -6.799 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 187 10.558 -6.634 -6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 187 10.528 -5.230 -7.626 1.00 0.00 H new ATOM 595 N LYS A 188 14.314 -5.785 -8.433 1.00 0.00 N ATOM 596 CA LYS A 188 15.161 -5.305 -9.488 1.00 0.00 C ATOM 597 C LYS A 188 14.854 -6.072 -10.763 1.00 0.00 C ATOM 598 O LYS A 188 15.395 -7.162 -11.004 1.00 0.00 O ATOM 599 CB LYS A 188 16.634 -5.472 -9.096 1.00 0.00 C ATOM 600 CG LYS A 188 17.643 -4.879 -10.085 1.00 0.00 C ATOM 601 CD LYS A 188 17.582 -3.356 -10.155 1.00 0.00 C ATOM 602 CE LYS A 188 17.924 -2.706 -8.812 1.00 0.00 C ATOM 603 NZ LYS A 188 19.247 -3.121 -8.305 1.00 0.00 N ATOM 0 H LYS A 188 14.613 -6.671 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 188 14.973 -4.245 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 188 16.789 -5.009 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 188 16.844 -6.535 -8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 188 18.649 -5.184 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 188 17.457 -5.291 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 188 18.275 -3.000 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 188 16.583 -3.047 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 188 17.904 -1.622 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 188 17.160 -2.967 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 19.506 -2.532 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 19.210 -4.119 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 19.958 -3.005 -9.055 1.00 0.00 H new ATOM 617 N LYS A 189 13.949 -5.548 -11.544 1.00 0.00 N ATOM 618 CA LYS A 189 13.559 -6.184 -12.773 1.00 0.00 C ATOM 619 C LYS A 189 13.553 -5.164 -13.893 1.00 0.00 C ATOM 620 O LYS A 189 12.560 -4.462 -14.083 1.00 0.00 O ATOM 621 CB LYS A 189 12.160 -6.830 -12.673 1.00 0.00 C ATOM 622 CG LYS A 189 11.985 -7.848 -11.554 1.00 0.00 C ATOM 623 CD LYS A 189 10.591 -8.459 -11.592 1.00 0.00 C ATOM 624 CE LYS A 189 10.348 -9.380 -10.406 1.00 0.00 C ATOM 625 NZ LYS A 189 9.015 -10.022 -10.465 1.00 0.00 N ATOM 0 H LYS A 189 13.463 -4.673 -11.348 1.00 0.00 H new ATOM 0 HA LYS A 189 14.282 -6.974 -12.977 1.00 0.00 H new ATOM 0 HB2 LYS A 189 11.423 -6.039 -12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 189 11.936 -7.317 -13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 189 12.734 -8.634 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 189 12.150 -7.367 -10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 189 9.845 -7.664 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 189 10.464 -9.018 -12.519 1.00 0.00 H new ATOM 0 HE2 LYS A 189 11.120 -10.149 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 189 10.435 -8.810 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 8.891 -10.641 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 8.277 -9.290 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 8.940 -10.587 -11.335 1.00 0.00 H new ATOM 639 N PRO A 190 14.689 -4.985 -14.590 1.00 0.00 N ATOM 640 CA PRO A 190 14.751 -4.109 -15.762 1.00 0.00 C ATOM 641 C PRO A 190 13.929 -4.722 -16.890 1.00 0.00 C ATOM 642 O PRO A 190 13.220 -4.030 -17.625 1.00 0.00 O ATOM 643 CB PRO A 190 16.244 -4.098 -16.124 1.00 0.00 C ATOM 644 CG PRO A 190 16.930 -4.567 -14.891 1.00 0.00 C ATOM 645 CD PRO A 190 16.003 -5.564 -14.278 1.00 0.00 C ATOM 0 HA PRO A 190 14.358 -3.108 -15.585 1.00 0.00 H new ATOM 0 HB2 PRO A 190 16.452 -4.755 -16.968 1.00 0.00 H new ATOM 0 HB3 PRO A 190 16.576 -3.099 -16.408 1.00 0.00 H new ATOM 0 HG2 PRO A 190 17.894 -5.019 -15.125 1.00 0.00 H new ATOM 0 HG3 PRO A 190 17.123 -3.739 -14.209 1.00 0.00 H new ATOM 0 HD2 PRO A 190 16.126 -6.557 -14.711 1.00 0.00 H new ATOM 0 HD3 PRO A 190 16.161 -5.663 -13.204 1.00 0.00 H new ATOM 653 N ALA A 191 14.042 -6.024 -17.007 1.00 0.00 N ATOM 654 CA ALA A 191 13.259 -6.794 -17.919 1.00 0.00 C ATOM 655 C ALA A 191 12.315 -7.629 -17.080 1.00 0.00 C ATOM 656 O ALA A 191 12.739 -8.575 -16.408 1.00 0.00 O ATOM 657 CB ALA A 191 14.151 -7.680 -18.783 1.00 0.00 C ATOM 0 H ALA A 191 14.696 -6.580 -16.456 1.00 0.00 H new ATOM 0 HA ALA A 191 12.705 -6.149 -18.601 1.00 0.00 H new ATOM 0 HB1 ALA A 191 13.533 -8.258 -19.471 1.00 0.00 H new ATOM 0 HB2 ALA A 191 14.841 -7.057 -19.352 1.00 0.00 H new ATOM 0 HB3 ALA A 191 14.717 -8.359 -18.145 1.00 0.00 H new ATOM 663 N LEU A 192 11.080 -7.243 -17.044 1.00 0.00 N ATOM 664 CA LEU A 192 10.114 -7.915 -16.227 1.00 0.00 C ATOM 665 C LEU A 192 9.228 -8.801 -17.066 1.00 0.00 C ATOM 666 O LEU A 192 9.447 -10.040 -17.067 1.00 0.00 O ATOM 667 CB LEU A 192 9.299 -6.954 -15.299 1.00 0.00 C ATOM 668 CG LEU A 192 8.518 -5.769 -15.928 1.00 0.00 C ATOM 669 CD1 LEU A 192 7.555 -5.198 -14.900 1.00 0.00 C ATOM 670 CD2 LEU A 192 9.454 -4.652 -16.386 1.00 0.00 C ATOM 671 OXT LEU A 192 8.357 -8.288 -17.774 1.00 0.00 O ATOM 0 H LEU A 192 10.711 -6.456 -17.577 1.00 0.00 H new ATOM 0 HA LEU A 192 10.672 -8.552 -15.541 1.00 0.00 H new ATOM 0 HB2 LEU A 192 8.582 -7.562 -14.747 1.00 0.00 H new ATOM 0 HB3 LEU A 192 9.993 -6.538 -14.569 1.00 0.00 H new ATOM 0 HG LEU A 192 7.982 -6.151 -16.797 1.00 0.00 H new ATOM 0 HD11 LEU A 192 7.005 -4.366 -15.339 1.00 0.00 H new ATOM 0 HD12 LEU A 192 6.854 -5.972 -14.589 1.00 0.00 H new ATOM 0 HD13 LEU A 192 8.115 -4.846 -14.033 1.00 0.00 H new ATOM 0 HD21 LEU A 192 8.868 -3.842 -16.820 1.00 0.00 H new ATOM 0 HD22 LEU A 192 10.017 -4.276 -15.532 1.00 0.00 H new ATOM 0 HD23 LEU A 192 10.146 -5.041 -17.133 1.00 0.00 H new TER 683 LEU A 192