USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=5 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= 0.67 USER MOD Single : A 162 SER OG : rot -112:sc= -1.12! USER MOD Single : A 164 ASN : amide:sc= 0.0299 K(o=0.03,f=-1.6!) USER MOD Single : A 169 LYS NZ :NH3+ 158:sc= -0.137 (180deg=-0.624) USER MOD Single : A 173 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.2) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 162:sc= -0.0425 (180deg=-0.323) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -21.596 -2.213 17.364 1.00 0.00 N ATOM 2 CA GLY A 149 -20.603 -2.968 18.116 1.00 0.00 C ATOM 3 C GLY A 149 -20.358 -4.305 17.463 1.00 0.00 C ATOM 4 O GLY A 149 -21.262 -4.831 16.794 1.00 0.00 O ATOM 0 HA2 GLY A 149 -19.671 -2.405 18.168 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -20.946 -3.113 19.140 1.00 0.00 H new ATOM 10 N PRO A 150 -19.133 -4.861 17.572 1.00 0.00 N ATOM 11 CA PRO A 150 -18.813 -6.180 17.027 1.00 0.00 C ATOM 12 C PRO A 150 -19.679 -7.279 17.662 1.00 0.00 C ATOM 13 O PRO A 150 -19.571 -7.582 18.866 1.00 0.00 O ATOM 14 CB PRO A 150 -17.330 -6.383 17.365 1.00 0.00 C ATOM 15 CG PRO A 150 -17.028 -5.377 18.422 1.00 0.00 C ATOM 16 CD PRO A 150 -17.958 -4.228 18.195 1.00 0.00 C ATOM 0 HA PRO A 150 -19.009 -6.238 15.956 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -17.142 -7.396 17.721 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -16.702 -6.232 16.487 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -17.173 -5.803 19.415 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -15.989 -5.052 18.363 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -18.217 -3.730 19.129 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -17.515 -3.474 17.544 1.00 0.00 H new ATOM 24 N GLY A 151 -20.522 -7.850 16.852 1.00 0.00 N ATOM 25 CA GLY A 151 -21.474 -8.840 17.288 1.00 0.00 C ATOM 26 C GLY A 151 -22.576 -8.914 16.274 1.00 0.00 C ATOM 27 O GLY A 151 -23.160 -9.967 16.027 1.00 0.00 O ATOM 0 H GLY A 151 -20.571 -7.641 15.855 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -20.990 -9.811 17.394 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -21.876 -8.575 18.266 1.00 0.00 H new ATOM 31 N SER A 152 -22.862 -7.780 15.693 1.00 0.00 N ATOM 32 CA SER A 152 -23.790 -7.687 14.616 1.00 0.00 C ATOM 33 C SER A 152 -23.008 -7.481 13.334 1.00 0.00 C ATOM 34 O SER A 152 -22.027 -6.729 13.311 1.00 0.00 O ATOM 35 CB SER A 152 -24.764 -6.521 14.841 1.00 0.00 C ATOM 36 OG SER A 152 -25.663 -6.380 13.745 1.00 0.00 O ATOM 0 H SER A 152 -22.448 -6.888 15.963 1.00 0.00 H new ATOM 0 HA SER A 152 -24.378 -8.603 14.553 1.00 0.00 H new ATOM 0 HB2 SER A 152 -25.329 -6.688 15.758 1.00 0.00 H new ATOM 0 HB3 SER A 152 -24.203 -5.596 14.975 1.00 0.00 H new ATOM 0 HG SER A 152 -26.272 -5.632 13.916 1.00 0.00 H new ATOM 42 N GLU A 153 -23.364 -8.207 12.315 1.00 0.00 N ATOM 43 CA GLU A 153 -22.781 -8.040 10.999 1.00 0.00 C ATOM 44 C GLU A 153 -23.621 -7.027 10.274 1.00 0.00 C ATOM 45 O GLU A 153 -23.118 -6.194 9.532 1.00 0.00 O ATOM 46 CB GLU A 153 -22.789 -9.355 10.181 1.00 0.00 C ATOM 47 CG GLU A 153 -21.962 -10.514 10.739 1.00 0.00 C ATOM 48 CD GLU A 153 -22.439 -10.996 12.074 1.00 0.00 C ATOM 49 OE1 GLU A 153 -23.598 -11.452 12.179 1.00 0.00 O ATOM 50 OE2 GLU A 153 -21.668 -10.931 13.054 1.00 0.00 O ATOM 0 H GLU A 153 -24.072 -8.940 12.365 1.00 0.00 H new ATOM 0 HA GLU A 153 -21.742 -7.728 11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -23.822 -9.689 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -22.430 -9.133 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -21.988 -11.343 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -20.922 -10.200 10.825 1.00 0.00 H new ATOM 57 N ASP A 154 -24.905 -7.083 10.573 1.00 0.00 N ATOM 58 CA ASP A 154 -25.919 -6.235 9.963 1.00 0.00 C ATOM 59 C ASP A 154 -25.670 -4.770 10.272 1.00 0.00 C ATOM 60 O ASP A 154 -25.661 -3.930 9.381 1.00 0.00 O ATOM 61 CB ASP A 154 -27.295 -6.641 10.478 1.00 0.00 C ATOM 62 CG ASP A 154 -28.418 -5.872 9.833 1.00 0.00 C ATOM 63 OD1 ASP A 154 -28.878 -6.277 8.760 1.00 0.00 O ATOM 64 OD2 ASP A 154 -28.885 -4.857 10.393 1.00 0.00 O ATOM 0 H ASP A 154 -25.283 -7.733 11.262 1.00 0.00 H new ATOM 0 HA ASP A 154 -25.872 -6.366 8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -27.443 -7.706 10.300 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -27.332 -6.490 11.557 1.00 0.00 H new ATOM 69 N ASP A 155 -25.427 -4.473 11.533 1.00 0.00 N ATOM 70 CA ASP A 155 -25.176 -3.093 11.957 1.00 0.00 C ATOM 71 C ASP A 155 -23.721 -2.696 11.799 1.00 0.00 C ATOM 72 O ASP A 155 -23.332 -1.585 12.165 1.00 0.00 O ATOM 73 CB ASP A 155 -25.640 -2.824 13.402 1.00 0.00 C ATOM 74 CG ASP A 155 -27.139 -2.721 13.540 1.00 0.00 C ATOM 75 OD1 ASP A 155 -27.722 -1.706 13.098 1.00 0.00 O ATOM 76 OD2 ASP A 155 -27.778 -3.638 14.088 1.00 0.00 O ATOM 0 H ASP A 155 -25.396 -5.160 12.286 1.00 0.00 H new ATOM 0 HA ASP A 155 -25.774 -2.473 11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -25.277 -3.624 14.047 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -25.185 -1.899 13.755 1.00 0.00 H new ATOM 81 N ASP A 156 -22.914 -3.579 11.264 1.00 0.00 N ATOM 82 CA ASP A 156 -21.501 -3.269 11.062 1.00 0.00 C ATOM 83 C ASP A 156 -21.232 -3.039 9.597 1.00 0.00 C ATOM 84 O ASP A 156 -20.640 -2.025 9.201 1.00 0.00 O ATOM 85 CB ASP A 156 -20.585 -4.372 11.607 1.00 0.00 C ATOM 86 CG ASP A 156 -19.113 -4.020 11.483 1.00 0.00 C ATOM 87 OD1 ASP A 156 -18.623 -3.167 12.251 1.00 0.00 O ATOM 88 OD2 ASP A 156 -18.415 -4.585 10.621 1.00 0.00 O ATOM 0 H ASP A 156 -23.197 -4.511 10.960 1.00 0.00 H new ATOM 0 HA ASP A 156 -21.277 -2.360 11.620 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -20.825 -4.554 12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -20.780 -5.300 11.070 1.00 0.00 H new ATOM 93 N ILE A 157 -21.691 -3.959 8.787 1.00 0.00 N ATOM 94 CA ILE A 157 -21.558 -3.858 7.366 1.00 0.00 C ATOM 95 C ILE A 157 -22.720 -3.057 6.827 1.00 0.00 C ATOM 96 O ILE A 157 -23.846 -3.541 6.776 1.00 0.00 O ATOM 97 CB ILE A 157 -21.547 -5.261 6.694 1.00 0.00 C ATOM 98 CG1 ILE A 157 -20.388 -6.117 7.231 1.00 0.00 C ATOM 99 CG2 ILE A 157 -21.470 -5.149 5.163 1.00 0.00 C ATOM 100 CD1 ILE A 157 -19.006 -5.602 6.879 1.00 0.00 C ATOM 0 H ILE A 157 -22.170 -4.803 9.103 1.00 0.00 H new ATOM 0 HA ILE A 157 -20.611 -3.368 7.140 1.00 0.00 H new ATOM 0 HB ILE A 157 -22.486 -5.754 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -20.472 -6.180 8.316 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -20.493 -7.131 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -21.464 -6.147 4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -22.334 -4.596 4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -20.557 -4.624 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -18.252 -6.268 7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -18.896 -5.567 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -18.875 -4.601 7.290 1.00 0.00 H new ATOM 112 N ASP A 158 -22.462 -1.825 6.501 1.00 0.00 N ATOM 113 CA ASP A 158 -23.467 -0.990 5.881 1.00 0.00 C ATOM 114 C ASP A 158 -23.659 -1.470 4.455 1.00 0.00 C ATOM 115 O ASP A 158 -22.695 -1.957 3.831 1.00 0.00 O ATOM 116 CB ASP A 158 -23.040 0.490 5.895 1.00 0.00 C ATOM 117 CG ASP A 158 -24.031 1.393 5.186 1.00 0.00 C ATOM 118 OD1 ASP A 158 -25.004 1.840 5.810 1.00 0.00 O ATOM 119 OD2 ASP A 158 -23.860 1.653 3.990 1.00 0.00 O ATOM 0 H ASP A 158 -21.563 -1.368 6.652 1.00 0.00 H new ATOM 0 HA ASP A 158 -24.402 -1.064 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -22.927 0.821 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -22.063 0.586 5.421 1.00 0.00 H new ATOM 124 N LEU A 159 -24.871 -1.354 3.938 1.00 0.00 N ATOM 125 CA LEU A 159 -25.203 -1.811 2.591 1.00 0.00 C ATOM 126 C LEU A 159 -24.294 -1.159 1.537 1.00 0.00 C ATOM 127 O LEU A 159 -23.890 -1.803 0.575 1.00 0.00 O ATOM 128 CB LEU A 159 -26.684 -1.528 2.275 1.00 0.00 C ATOM 129 CG LEU A 159 -27.204 -2.032 0.920 1.00 0.00 C ATOM 130 CD1 LEU A 159 -27.091 -3.547 0.818 1.00 0.00 C ATOM 131 CD2 LEU A 159 -28.641 -1.594 0.713 1.00 0.00 C ATOM 0 H LEU A 159 -25.657 -0.940 4.439 1.00 0.00 H new ATOM 0 HA LEU A 159 -25.036 -2.888 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -27.292 -1.975 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -26.843 -0.451 2.322 1.00 0.00 H new ATOM 0 HG LEU A 159 -26.586 -1.595 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -27.466 -3.875 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -26.047 -3.842 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -27.679 -4.010 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -28.997 -1.958 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -29.264 -2.003 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -28.696 -0.506 0.733 1.00 0.00 H new ATOM 143 N PHE A 160 -23.920 0.083 1.765 1.00 0.00 N ATOM 144 CA PHE A 160 -23.075 0.819 0.843 1.00 0.00 C ATOM 145 C PHE A 160 -21.706 1.041 1.478 1.00 0.00 C ATOM 146 O PHE A 160 -20.937 1.913 1.050 1.00 0.00 O ATOM 147 CB PHE A 160 -23.704 2.177 0.520 1.00 0.00 C ATOM 148 CG PHE A 160 -25.062 2.105 -0.107 1.00 0.00 C ATOM 149 CD1 PHE A 160 -25.196 1.924 -1.465 1.00 0.00 C ATOM 150 CD2 PHE A 160 -26.204 2.228 0.667 1.00 0.00 C ATOM 151 CE1 PHE A 160 -26.439 1.870 -2.048 1.00 0.00 C ATOM 152 CE2 PHE A 160 -27.453 2.172 0.089 1.00 0.00 C ATOM 153 CZ PHE A 160 -27.569 1.992 -1.272 1.00 0.00 C ATOM 0 H PHE A 160 -24.192 0.612 2.594 1.00 0.00 H new ATOM 0 HA PHE A 160 -22.970 0.244 -0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -23.774 2.758 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -23.038 2.720 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -24.314 1.823 -2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -26.114 2.369 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -26.529 1.732 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -28.338 2.269 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 160 -28.546 1.947 -1.730 1.00 0.00 H new ATOM 163 N GLY A 161 -21.391 0.217 2.468 1.00 0.00 N ATOM 164 CA GLY A 161 -20.158 0.348 3.233 1.00 0.00 C ATOM 165 C GLY A 161 -18.926 -0.180 2.515 1.00 0.00 C ATOM 166 O GLY A 161 -18.153 -0.954 3.076 1.00 0.00 O ATOM 0 H GLY A 161 -21.982 -0.560 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -20.002 1.399 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -20.271 -0.183 4.178 1.00 0.00 H new ATOM 170 N SER A 162 -18.753 0.232 1.301 1.00 0.00 N ATOM 171 CA SER A 162 -17.617 -0.111 0.523 1.00 0.00 C ATOM 172 C SER A 162 -17.205 1.136 -0.232 1.00 0.00 C ATOM 173 O SER A 162 -17.805 1.499 -1.238 1.00 0.00 O ATOM 174 CB SER A 162 -17.926 -1.284 -0.432 1.00 0.00 C ATOM 175 OG SER A 162 -16.778 -1.661 -1.192 1.00 0.00 O ATOM 0 H SER A 162 -19.418 0.832 0.814 1.00 0.00 H new ATOM 0 HA SER A 162 -16.801 -0.453 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 162 -18.278 -2.140 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 162 -18.733 -1.001 -1.108 1.00 0.00 H new ATOM 0 HG SER A 162 -16.920 -1.433 -2.134 1.00 0.00 H new ATOM 181 N ASP A 163 -16.233 1.834 0.296 1.00 0.00 N ATOM 182 CA ASP A 163 -15.799 3.085 -0.307 1.00 0.00 C ATOM 183 C ASP A 163 -14.732 2.846 -1.351 1.00 0.00 C ATOM 184 O ASP A 163 -14.921 3.126 -2.526 1.00 0.00 O ATOM 185 CB ASP A 163 -15.299 4.042 0.771 1.00 0.00 C ATOM 186 CG ASP A 163 -14.703 5.319 0.215 1.00 0.00 C ATOM 187 OD1 ASP A 163 -15.423 6.104 -0.429 1.00 0.00 O ATOM 188 OD2 ASP A 163 -13.494 5.556 0.408 1.00 0.00 O ATOM 0 H ASP A 163 -15.724 1.566 1.138 1.00 0.00 H new ATOM 0 HA ASP A 163 -16.654 3.539 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -16.127 4.295 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.549 3.534 1.377 1.00 0.00 H new ATOM 193 N ASN A 164 -13.653 2.246 -0.926 1.00 0.00 N ATOM 194 CA ASN A 164 -12.491 1.975 -1.791 1.00 0.00 C ATOM 195 C ASN A 164 -12.669 0.580 -2.435 1.00 0.00 C ATOM 196 O ASN A 164 -11.730 -0.005 -2.967 1.00 0.00 O ATOM 197 CB ASN A 164 -11.216 1.996 -0.909 1.00 0.00 C ATOM 198 CG ASN A 164 -9.874 2.116 -1.661 1.00 0.00 C ATOM 199 OD1 ASN A 164 -9.727 1.736 -2.819 1.00 0.00 O ATOM 200 ND2 ASN A 164 -8.881 2.615 -0.980 1.00 0.00 N ATOM 0 H ASN A 164 -13.535 1.921 0.034 1.00 0.00 H new ATOM 0 HA ASN A 164 -12.405 2.724 -2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -11.295 2.830 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -11.195 1.083 -0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -7.959 2.696 -1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -9.026 2.924 -0.019 1.00 0.00 H new ATOM 207 N GLU A 165 -13.905 0.054 -2.378 1.00 0.00 N ATOM 208 CA GLU A 165 -14.193 -1.327 -2.782 1.00 0.00 C ATOM 209 C GLU A 165 -13.383 -2.262 -1.936 1.00 0.00 C ATOM 210 O GLU A 165 -12.843 -3.270 -2.377 1.00 0.00 O ATOM 211 CB GLU A 165 -14.032 -1.555 -4.288 1.00 0.00 C ATOM 212 CG GLU A 165 -15.165 -0.940 -5.081 1.00 0.00 C ATOM 213 CD GLU A 165 -16.503 -1.491 -4.640 1.00 0.00 C ATOM 214 OE1 GLU A 165 -16.918 -2.546 -5.148 1.00 0.00 O ATOM 215 OE2 GLU A 165 -17.150 -0.896 -3.755 1.00 0.00 O ATOM 0 H GLU A 165 -14.723 0.571 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 165 -15.247 -1.538 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -13.085 -1.129 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -13.988 -2.625 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -15.155 0.143 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -15.019 -1.138 -6.143 1.00 0.00 H new ATOM 222 N GLU A 166 -13.385 -1.900 -0.678 1.00 0.00 N ATOM 223 CA GLU A 166 -12.668 -2.539 0.397 1.00 0.00 C ATOM 224 C GLU A 166 -13.230 -3.913 0.709 1.00 0.00 C ATOM 225 O GLU A 166 -12.582 -4.709 1.399 1.00 0.00 O ATOM 226 CB GLU A 166 -12.760 -1.623 1.602 1.00 0.00 C ATOM 227 CG GLU A 166 -14.197 -1.277 1.966 1.00 0.00 C ATOM 228 CD GLU A 166 -14.286 -0.117 2.881 1.00 0.00 C ATOM 229 OE1 GLU A 166 -14.339 1.035 2.381 1.00 0.00 O ATOM 230 OE2 GLU A 166 -14.283 -0.311 4.104 1.00 0.00 O ATOM 0 H GLU A 166 -13.924 -1.096 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 166 -11.628 -2.698 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -12.278 -2.101 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -12.209 -0.705 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.757 -1.062 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -14.668 -2.142 2.434 1.00 0.00 H new ATOM 237 N GLU A 167 -14.445 -4.179 0.206 1.00 0.00 N ATOM 238 CA GLU A 167 -15.063 -5.472 0.353 1.00 0.00 C ATOM 239 C GLU A 167 -14.223 -6.477 -0.427 1.00 0.00 C ATOM 240 O GLU A 167 -14.111 -7.647 -0.056 1.00 0.00 O ATOM 241 CB GLU A 167 -16.489 -5.455 -0.183 1.00 0.00 C ATOM 242 CG GLU A 167 -17.268 -6.722 0.140 1.00 0.00 C ATOM 243 CD GLU A 167 -18.577 -6.820 -0.589 1.00 0.00 C ATOM 244 OE1 GLU A 167 -19.033 -5.827 -1.152 1.00 0.00 O ATOM 245 OE2 GLU A 167 -19.163 -7.932 -0.639 1.00 0.00 O ATOM 0 H GLU A 167 -15.008 -3.500 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 167 -15.111 -5.744 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -17.016 -4.597 0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -16.462 -5.319 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -16.656 -7.589 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -17.455 -6.761 1.213 1.00 0.00 H new ATOM 252 N ASP A 168 -13.621 -6.008 -1.509 1.00 0.00 N ATOM 253 CA ASP A 168 -12.692 -6.816 -2.250 1.00 0.00 C ATOM 254 C ASP A 168 -11.368 -6.628 -1.575 1.00 0.00 C ATOM 255 O ASP A 168 -10.630 -5.666 -1.842 1.00 0.00 O ATOM 256 CB ASP A 168 -12.598 -6.401 -3.718 1.00 0.00 C ATOM 257 CG ASP A 168 -11.826 -7.402 -4.562 1.00 0.00 C ATOM 258 OD1 ASP A 168 -10.653 -7.693 -4.266 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.389 -7.884 -5.577 1.00 0.00 O ATOM 0 H ASP A 168 -13.765 -5.071 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 168 -13.016 -7.857 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -13.603 -6.288 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -12.115 -5.426 -3.786 1.00 0.00 H new ATOM 264 N LYS A 169 -11.106 -7.485 -0.639 1.00 0.00 N ATOM 265 CA LYS A 169 -9.945 -7.374 0.184 1.00 0.00 C ATOM 266 C LYS A 169 -8.734 -7.912 -0.547 1.00 0.00 C ATOM 267 O LYS A 169 -7.595 -7.619 -0.188 1.00 0.00 O ATOM 268 CB LYS A 169 -10.189 -8.089 1.509 1.00 0.00 C ATOM 269 CG LYS A 169 -9.181 -7.767 2.588 1.00 0.00 C ATOM 270 CD LYS A 169 -9.600 -8.360 3.915 1.00 0.00 C ATOM 271 CE LYS A 169 -8.680 -7.908 5.031 1.00 0.00 C ATOM 272 NZ LYS A 169 -8.662 -6.435 5.154 1.00 0.00 N ATOM 0 H LYS A 169 -11.697 -8.288 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.744 -6.326 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.184 -7.830 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -10.184 -9.165 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.203 -8.156 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.079 -6.686 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -10.624 -8.064 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.590 -9.448 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.005 -8.349 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.670 -8.271 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.349 -6.170 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.007 -6.036 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.618 -6.061 4.987 1.00 0.00 H new ATOM 286 N GLU A 170 -8.989 -8.653 -1.612 1.00 0.00 N ATOM 287 CA GLU A 170 -7.928 -9.189 -2.428 1.00 0.00 C ATOM 288 C GLU A 170 -7.260 -8.042 -3.177 1.00 0.00 C ATOM 289 O GLU A 170 -6.036 -7.992 -3.290 1.00 0.00 O ATOM 290 CB GLU A 170 -8.470 -10.250 -3.397 1.00 0.00 C ATOM 291 CG GLU A 170 -7.409 -10.917 -4.274 1.00 0.00 C ATOM 292 CD GLU A 170 -6.342 -11.683 -3.494 1.00 0.00 C ATOM 293 OE1 GLU A 170 -6.427 -11.780 -2.255 1.00 0.00 O ATOM 294 OE2 GLU A 170 -5.410 -12.232 -4.135 1.00 0.00 O ATOM 0 H GLU A 170 -9.928 -8.895 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.189 -9.681 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.982 -11.021 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.216 -9.786 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -7.902 -11.603 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -6.922 -10.153 -4.880 1.00 0.00 H new ATOM 301 N ALA A 171 -8.081 -7.102 -3.648 1.00 0.00 N ATOM 302 CA ALA A 171 -7.604 -5.905 -4.321 1.00 0.00 C ATOM 303 C ALA A 171 -6.735 -5.096 -3.385 1.00 0.00 C ATOM 304 O ALA A 171 -5.650 -4.640 -3.759 1.00 0.00 O ATOM 305 CB ALA A 171 -8.775 -5.062 -4.786 1.00 0.00 C ATOM 0 H ALA A 171 -9.097 -7.155 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 171 -7.016 -6.205 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -8.404 -4.169 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -9.387 -5.640 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.378 -4.770 -3.926 1.00 0.00 H new ATOM 311 N ALA A 172 -7.211 -4.939 -2.159 1.00 0.00 N ATOM 312 CA ALA A 172 -6.483 -4.224 -1.125 1.00 0.00 C ATOM 313 C ALA A 172 -5.148 -4.918 -0.847 1.00 0.00 C ATOM 314 O ALA A 172 -4.095 -4.276 -0.842 1.00 0.00 O ATOM 315 CB ALA A 172 -7.322 -4.140 0.139 1.00 0.00 C ATOM 0 H ALA A 172 -8.113 -5.304 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.277 -3.210 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.768 -3.602 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.251 -3.612 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.550 -5.146 0.492 1.00 0.00 H new ATOM 321 N GLN A 173 -5.212 -6.234 -0.677 1.00 0.00 N ATOM 322 CA GLN A 173 -4.051 -7.075 -0.428 1.00 0.00 C ATOM 323 C GLN A 173 -3.018 -6.891 -1.528 1.00 0.00 C ATOM 324 O GLN A 173 -1.901 -6.459 -1.253 1.00 0.00 O ATOM 325 CB GLN A 173 -4.514 -8.559 -0.298 1.00 0.00 C ATOM 326 CG GLN A 173 -3.451 -9.652 0.003 1.00 0.00 C ATOM 327 CD GLN A 173 -2.572 -10.052 -1.190 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.471 -9.525 -1.400 1.00 0.00 O ATOM 329 NE2 GLN A 173 -3.061 -10.962 -1.984 1.00 0.00 N ATOM 0 H GLN A 173 -6.089 -6.754 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.572 -6.784 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.264 -8.602 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.013 -8.831 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -2.806 -9.298 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.962 -10.541 0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.971 -11.378 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.534 -11.259 -2.805 1.00 0.00 H new ATOM 338 N LEU A 174 -3.414 -7.143 -2.776 1.00 0.00 N ATOM 339 CA LEU A 174 -2.487 -7.100 -3.886 1.00 0.00 C ATOM 340 C LEU A 174 -1.818 -5.742 -4.044 1.00 0.00 C ATOM 341 O LEU A 174 -0.615 -5.680 -4.211 1.00 0.00 O ATOM 342 CB LEU A 174 -3.133 -7.627 -5.202 1.00 0.00 C ATOM 343 CG LEU A 174 -4.345 -6.866 -5.781 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.933 -5.694 -6.660 1.00 0.00 C ATOM 345 CD2 LEU A 174 -5.267 -7.803 -6.527 1.00 0.00 C ATOM 0 H LEU A 174 -4.372 -7.378 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.677 -7.789 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.357 -7.648 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.440 -8.659 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.888 -6.449 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.824 -5.194 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.344 -4.989 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.336 -6.058 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -6.112 -7.241 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.724 -8.271 -7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.631 -8.573 -5.847 1.00 0.00 H new ATOM 357 N ARG A 175 -2.578 -4.661 -3.917 1.00 0.00 N ATOM 358 CA ARG A 175 -2.016 -3.335 -4.115 1.00 0.00 C ATOM 359 C ARG A 175 -1.064 -2.929 -2.980 1.00 0.00 C ATOM 360 O ARG A 175 0.047 -2.460 -3.229 1.00 0.00 O ATOM 361 CB ARG A 175 -3.102 -2.271 -4.341 1.00 0.00 C ATOM 362 CG ARG A 175 -4.016 -2.052 -3.166 1.00 0.00 C ATOM 363 CD ARG A 175 -5.090 -1.034 -3.461 1.00 0.00 C ATOM 364 NE ARG A 175 -6.014 -1.470 -4.515 1.00 0.00 N ATOM 365 CZ ARG A 175 -7.257 -0.991 -4.675 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.741 -0.087 -3.830 1.00 0.00 N ATOM 367 NH2 ARG A 175 -8.009 -1.418 -5.670 1.00 0.00 N ATOM 0 H ARG A 175 -3.570 -4.677 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.423 -3.391 -5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.620 -1.326 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.703 -2.561 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.481 -2.998 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -3.430 -1.721 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -5.654 -0.833 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -4.622 -0.096 -3.760 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.690 -2.183 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -7.167 0.246 -3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.687 0.274 -3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.646 -2.115 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -8.954 -1.052 -5.789 1.00 0.00 H new ATOM 381 N GLU A 176 -1.465 -3.169 -1.747 1.00 0.00 N ATOM 382 CA GLU A 176 -0.671 -2.752 -0.618 1.00 0.00 C ATOM 383 C GLU A 176 0.558 -3.627 -0.456 1.00 0.00 C ATOM 384 O GLU A 176 1.663 -3.131 -0.175 1.00 0.00 O ATOM 385 CB GLU A 176 -1.509 -2.737 0.651 1.00 0.00 C ATOM 386 CG GLU A 176 -2.669 -1.754 0.593 1.00 0.00 C ATOM 387 CD GLU A 176 -3.491 -1.749 1.847 1.00 0.00 C ATOM 388 OE1 GLU A 176 -3.140 -1.017 2.798 1.00 0.00 O ATOM 389 OE2 GLU A 176 -4.510 -2.461 1.907 1.00 0.00 O ATOM 0 H GLU A 176 -2.332 -3.649 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.325 -1.736 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.899 -3.739 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.870 -2.485 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -2.281 -0.751 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -3.308 -2.003 -0.254 1.00 0.00 H new ATOM 396 N GLU A 177 0.392 -4.910 -0.680 1.00 0.00 N ATOM 397 CA GLU A 177 1.481 -5.835 -0.524 1.00 0.00 C ATOM 398 C GLU A 177 2.484 -5.759 -1.664 1.00 0.00 C ATOM 399 O GLU A 177 3.677 -6.002 -1.449 1.00 0.00 O ATOM 400 CB GLU A 177 0.990 -7.250 -0.293 1.00 0.00 C ATOM 401 CG GLU A 177 0.241 -7.418 1.021 1.00 0.00 C ATOM 402 CD GLU A 177 1.095 -7.056 2.209 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.118 -7.745 2.449 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.751 -6.116 2.947 1.00 0.00 O ATOM 0 H GLU A 177 -0.489 -5.333 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 177 2.018 -5.529 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.336 -7.540 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.842 -7.930 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.651 -6.792 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.095 -8.451 1.117 1.00 0.00 H new ATOM 411 N ARG A 178 2.035 -5.383 -2.872 1.00 0.00 N ATOM 412 CA ARG A 178 2.975 -5.227 -3.983 1.00 0.00 C ATOM 413 C ARG A 178 3.894 -4.033 -3.735 1.00 0.00 C ATOM 414 O ARG A 178 5.040 -4.021 -4.182 1.00 0.00 O ATOM 415 CB ARG A 178 2.287 -5.164 -5.370 1.00 0.00 C ATOM 416 CG ARG A 178 1.416 -3.945 -5.623 1.00 0.00 C ATOM 417 CD ARG A 178 0.622 -4.097 -6.914 1.00 0.00 C ATOM 418 NE ARG A 178 -0.297 -2.972 -7.133 1.00 0.00 N ATOM 419 CZ ARG A 178 -1.292 -2.943 -8.035 1.00 0.00 C ATOM 420 NH1 ARG A 178 -1.562 -4.012 -8.778 1.00 0.00 N ATOM 421 NH2 ARG A 178 -2.036 -1.858 -8.156 1.00 0.00 N ATOM 0 H ARG A 178 1.059 -5.188 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 178 3.585 -6.129 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.059 -5.201 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.673 -6.057 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.732 -3.803 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.040 -3.053 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.310 -4.171 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.055 -5.027 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 178 -0.169 -2.144 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -1.012 -4.863 -8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -2.319 -3.981 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -1.854 -1.046 -7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -2.792 -1.832 -8.840 1.00 0.00 H new ATOM 435 N LEU A 179 3.400 -3.035 -3.006 1.00 0.00 N ATOM 436 CA LEU A 179 4.250 -1.921 -2.593 1.00 0.00 C ATOM 437 C LEU A 179 5.150 -2.332 -1.440 1.00 0.00 C ATOM 438 O LEU A 179 6.298 -1.895 -1.360 1.00 0.00 O ATOM 439 CB LEU A 179 3.455 -0.647 -2.241 1.00 0.00 C ATOM 440 CG LEU A 179 3.072 0.300 -3.405 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.314 0.859 -4.088 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.184 -0.381 -4.416 1.00 0.00 C ATOM 0 H LEU A 179 2.431 -2.974 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 179 4.868 -1.668 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.537 -0.951 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 179 4.038 -0.075 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 179 2.510 1.126 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.015 1.521 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 179 4.907 1.418 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 179 4.910 0.038 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 179 1.939 0.319 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 179 2.704 -1.243 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 179 1.266 -0.712 -3.930 1.00 0.00 H new ATOM 454 N ARG A 180 4.633 -3.189 -0.561 1.00 0.00 N ATOM 455 CA ARG A 180 5.416 -3.694 0.562 1.00 0.00 C ATOM 456 C ARG A 180 6.648 -4.428 0.103 1.00 0.00 C ATOM 457 O ARG A 180 7.749 -4.056 0.476 1.00 0.00 O ATOM 458 CB ARG A 180 4.606 -4.586 1.502 1.00 0.00 C ATOM 459 CG ARG A 180 3.662 -3.846 2.429 1.00 0.00 C ATOM 460 CD ARG A 180 4.417 -2.859 3.326 1.00 0.00 C ATOM 461 NE ARG A 180 5.590 -3.474 3.999 1.00 0.00 N ATOM 462 CZ ARG A 180 5.623 -3.879 5.282 1.00 0.00 C ATOM 463 NH1 ARG A 180 4.535 -3.790 6.044 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.759 -4.372 5.800 1.00 0.00 N ATOM 0 H ARG A 180 3.679 -3.546 -0.606 1.00 0.00 H new ATOM 0 HA ARG A 180 5.719 -2.810 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.027 -5.289 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.297 -5.175 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 180 2.918 -3.309 1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.122 -4.562 3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 180 4.751 -2.012 2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 180 3.735 -2.466 4.081 1.00 0.00 H new ATOM 0 HE ARG A 180 6.437 -3.599 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.670 -3.413 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 180 4.566 -4.099 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 180 7.596 -4.439 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 180 6.785 -4.679 6.772 1.00 0.00 H new ATOM 478 N GLN A 181 6.465 -5.449 -0.727 1.00 0.00 N ATOM 479 CA GLN A 181 7.582 -6.244 -1.232 1.00 0.00 C ATOM 480 C GLN A 181 8.564 -5.377 -2.013 1.00 0.00 C ATOM 481 O GLN A 181 9.779 -5.530 -1.888 1.00 0.00 O ATOM 482 CB GLN A 181 7.064 -7.404 -2.077 1.00 0.00 C ATOM 483 CG GLN A 181 6.185 -6.988 -3.235 1.00 0.00 C ATOM 484 CD GLN A 181 5.658 -8.157 -4.014 1.00 0.00 C ATOM 485 OE1 GLN A 181 4.594 -8.695 -3.702 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.378 -8.563 -5.020 1.00 0.00 N ATOM 0 H GLN A 181 5.551 -5.748 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 181 8.125 -6.659 -0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.915 -7.964 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.502 -8.083 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.347 -6.402 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.753 -6.339 -3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 181 7.253 -8.090 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.067 -9.354 -5.583 1.00 0.00 H new ATOM 495 N TYR A 182 8.015 -4.442 -2.767 1.00 0.00 N ATOM 496 CA TYR A 182 8.783 -3.491 -3.538 1.00 0.00 C ATOM 497 C TYR A 182 9.727 -2.688 -2.644 1.00 0.00 C ATOM 498 O TYR A 182 10.944 -2.751 -2.815 1.00 0.00 O ATOM 499 CB TYR A 182 7.826 -2.568 -4.315 1.00 0.00 C ATOM 500 CG TYR A 182 8.461 -1.331 -4.906 1.00 0.00 C ATOM 501 CD1 TYR A 182 9.359 -1.410 -5.958 1.00 0.00 C ATOM 502 CD2 TYR A 182 8.151 -0.077 -4.398 1.00 0.00 C ATOM 503 CE1 TYR A 182 9.933 -0.275 -6.479 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.718 1.061 -4.916 1.00 0.00 C ATOM 505 CZ TYR A 182 9.604 0.961 -5.952 1.00 0.00 C ATOM 506 OH TYR A 182 10.180 2.107 -6.464 1.00 0.00 O ATOM 0 H TYR A 182 7.006 -4.323 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 182 9.404 -4.033 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.368 -3.142 -5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.022 -2.260 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 182 9.611 -2.375 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.451 0.005 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 182 10.637 -0.348 -7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 182 8.466 2.029 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 182 9.839 2.888 -5.981 1.00 0.00 H new ATOM 516 N ALA A 183 9.164 -1.995 -1.668 1.00 0.00 N ATOM 517 CA ALA A 183 9.933 -1.129 -0.790 1.00 0.00 C ATOM 518 C ALA A 183 10.848 -1.921 0.138 1.00 0.00 C ATOM 519 O ALA A 183 12.023 -1.573 0.304 1.00 0.00 O ATOM 520 CB ALA A 183 9.002 -0.230 0.010 1.00 0.00 C ATOM 0 H ALA A 183 8.165 -2.017 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 183 10.573 -0.509 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.591 0.414 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.415 0.385 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.332 -0.844 0.612 1.00 0.00 H new ATOM 526 N GLU A 184 10.327 -2.999 0.701 1.00 0.00 N ATOM 527 CA GLU A 184 11.063 -3.814 1.659 1.00 0.00 C ATOM 528 C GLU A 184 12.315 -4.389 1.010 1.00 0.00 C ATOM 529 O GLU A 184 13.425 -4.271 1.542 1.00 0.00 O ATOM 530 CB GLU A 184 10.182 -4.965 2.155 1.00 0.00 C ATOM 531 CG GLU A 184 10.740 -5.706 3.353 1.00 0.00 C ATOM 532 CD GLU A 184 10.821 -4.823 4.570 1.00 0.00 C ATOM 533 OE1 GLU A 184 9.771 -4.616 5.234 1.00 0.00 O ATOM 534 OE2 GLU A 184 11.923 -4.326 4.899 1.00 0.00 O ATOM 0 H GLU A 184 9.383 -3.335 0.508 1.00 0.00 H new ATOM 0 HA GLU A 184 11.349 -3.183 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.199 -4.570 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.037 -5.674 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.111 -6.569 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.733 -6.087 3.114 1.00 0.00 H new ATOM 541 N LYS A 185 12.146 -4.956 -0.163 1.00 0.00 N ATOM 542 CA LYS A 185 13.234 -5.619 -0.834 1.00 0.00 C ATOM 543 C LYS A 185 13.966 -4.667 -1.770 1.00 0.00 C ATOM 544 O LYS A 185 14.737 -5.085 -2.623 1.00 0.00 O ATOM 545 CB LYS A 185 12.735 -6.861 -1.572 1.00 0.00 C ATOM 546 CG LYS A 185 11.908 -7.790 -0.684 1.00 0.00 C ATOM 547 CD LYS A 185 11.558 -9.097 -1.371 1.00 0.00 C ATOM 548 CE LYS A 185 12.775 -10.003 -1.528 1.00 0.00 C ATOM 549 NZ LYS A 185 13.309 -10.440 -0.222 1.00 0.00 N ATOM 0 H LYS A 185 11.262 -4.970 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 185 13.951 -5.945 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.132 -6.552 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.590 -7.410 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 185 12.463 -8.002 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 185 10.990 -7.282 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 185 10.792 -9.616 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 185 11.132 -8.888 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 185 12.503 -10.877 -2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 185 13.552 -9.474 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 13.919 -11.271 -0.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 13.863 -9.669 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.521 -10.688 0.410 1.00 0.00 H new ATOM 563 N LYS A 186 13.693 -3.386 -1.631 1.00 0.00 N ATOM 564 CA LYS A 186 14.443 -2.381 -2.348 1.00 0.00 C ATOM 565 C LYS A 186 15.694 -2.135 -1.525 1.00 0.00 C ATOM 566 O LYS A 186 16.791 -1.934 -2.051 1.00 0.00 O ATOM 567 CB LYS A 186 13.612 -1.094 -2.487 1.00 0.00 C ATOM 568 CG LYS A 186 14.092 -0.042 -3.527 1.00 0.00 C ATOM 569 CD LYS A 186 15.445 0.616 -3.203 1.00 0.00 C ATOM 570 CE LYS A 186 15.410 1.411 -1.901 1.00 0.00 C ATOM 571 NZ LYS A 186 16.720 2.006 -1.579 1.00 0.00 N ATOM 0 H LYS A 186 12.957 -3.018 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 186 14.693 -2.704 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.591 -1.378 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 186 13.574 -0.610 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 186 14.162 -0.523 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 186 13.335 0.738 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 186 16.213 -0.154 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.729 1.277 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.663 2.201 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.099 0.757 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 16.650 2.537 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 17.429 1.252 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 17.006 2.650 -2.344 1.00 0.00 H new ATOM 585 N ALA A 187 15.524 -2.201 -0.215 1.00 0.00 N ATOM 586 CA ALA A 187 16.613 -2.004 0.695 1.00 0.00 C ATOM 587 C ALA A 187 17.382 -3.291 0.867 1.00 0.00 C ATOM 588 O ALA A 187 17.154 -4.060 1.806 1.00 0.00 O ATOM 589 CB ALA A 187 16.138 -1.466 2.035 1.00 0.00 C ATOM 0 H ALA A 187 14.628 -2.392 0.234 1.00 0.00 H new ATOM 0 HA ALA A 187 17.278 -1.252 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 187 16.994 -1.330 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 187 15.639 -0.508 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 187 15.440 -2.173 2.484 1.00 0.00 H new ATOM 595 N LYS A 188 18.222 -3.571 -0.084 1.00 0.00 N ATOM 596 CA LYS A 188 19.041 -4.738 -0.027 1.00 0.00 C ATOM 597 C LYS A 188 20.297 -4.466 0.785 1.00 0.00 C ATOM 598 O LYS A 188 21.273 -3.903 0.291 1.00 0.00 O ATOM 599 CB LYS A 188 19.369 -5.276 -1.436 1.00 0.00 C ATOM 600 CG LYS A 188 19.991 -4.266 -2.397 1.00 0.00 C ATOM 601 CD LYS A 188 20.404 -4.940 -3.687 1.00 0.00 C ATOM 602 CE LYS A 188 21.074 -3.969 -4.644 1.00 0.00 C ATOM 603 NZ LYS A 188 21.562 -4.659 -5.854 1.00 0.00 N ATOM 0 H LYS A 188 18.357 -2.998 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 188 18.479 -5.522 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.050 -6.121 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 188 18.451 -5.659 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 188 19.277 -3.470 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 188 20.859 -3.799 -1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.086 -5.761 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 188 19.527 -5.375 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 188 20.368 -3.189 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 188 21.907 -3.477 -4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 22.014 -3.970 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 22.254 -5.387 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 20.762 -5.107 -6.344 1.00 0.00 H new ATOM 617 N LYS A 189 20.237 -4.756 2.042 1.00 0.00 N ATOM 618 CA LYS A 189 21.382 -4.590 2.885 1.00 0.00 C ATOM 619 C LYS A 189 21.807 -5.948 3.384 1.00 0.00 C ATOM 620 O LYS A 189 21.171 -6.503 4.291 1.00 0.00 O ATOM 621 CB LYS A 189 21.090 -3.631 4.051 1.00 0.00 C ATOM 622 CG LYS A 189 22.302 -3.352 4.930 1.00 0.00 C ATOM 623 CD LYS A 189 21.984 -2.356 6.030 1.00 0.00 C ATOM 624 CE LYS A 189 23.208 -2.087 6.891 1.00 0.00 C ATOM 625 NZ LYS A 189 22.949 -1.063 7.924 1.00 0.00 N ATOM 0 H LYS A 189 19.405 -5.111 2.513 1.00 0.00 H new ATOM 0 HA LYS A 189 22.193 -4.140 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 189 20.718 -2.688 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 189 20.295 -4.052 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 189 22.651 -4.284 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 189 23.116 -2.967 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 189 21.632 -1.423 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 189 21.175 -2.741 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 189 23.523 -3.013 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 189 24.032 -1.760 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 23.810 -0.912 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 22.673 -0.171 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 22.181 -1.385 8.547 1.00 0.00 H new ATOM 639 N PRO A 190 22.817 -6.549 2.741 1.00 0.00 N ATOM 640 CA PRO A 190 23.322 -7.860 3.114 1.00 0.00 C ATOM 641 C PRO A 190 23.873 -7.872 4.529 1.00 0.00 C ATOM 642 O PRO A 190 24.879 -7.223 4.829 1.00 0.00 O ATOM 643 CB PRO A 190 24.450 -8.124 2.110 1.00 0.00 C ATOM 644 CG PRO A 190 24.170 -7.214 0.978 1.00 0.00 C ATOM 645 CD PRO A 190 23.548 -6.001 1.581 1.00 0.00 C ATOM 0 HA PRO A 190 22.536 -8.615 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 190 25.426 -7.920 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 190 24.457 -9.165 1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 190 25.086 -6.960 0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 190 23.499 -7.681 0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 190 24.298 -5.270 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 190 22.879 -5.500 0.882 1.00 0.00 H new ATOM 653 N ALA A 191 23.187 -8.557 5.402 1.00 0.00 N ATOM 654 CA ALA A 191 23.640 -8.704 6.767 1.00 0.00 C ATOM 655 C ALA A 191 24.459 -9.974 6.876 1.00 0.00 C ATOM 656 O ALA A 191 25.072 -10.269 7.903 1.00 0.00 O ATOM 657 CB ALA A 191 22.458 -8.732 7.721 1.00 0.00 C ATOM 0 H ALA A 191 22.306 -9.027 5.195 1.00 0.00 H new ATOM 0 HA ALA A 191 24.262 -7.852 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 191 22.818 -8.843 8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 191 21.897 -7.801 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 191 21.809 -9.572 7.472 1.00 0.00 H new ATOM 663 N LEU A 192 24.440 -10.731 5.814 1.00 0.00 N ATOM 664 CA LEU A 192 25.179 -11.945 5.699 1.00 0.00 C ATOM 665 C LEU A 192 25.566 -12.139 4.246 1.00 0.00 C ATOM 666 O LEU A 192 24.866 -12.841 3.500 1.00 0.00 O ATOM 667 CB LEU A 192 24.432 -13.190 6.309 1.00 0.00 C ATOM 668 CG LEU A 192 22.998 -13.538 5.822 1.00 0.00 C ATOM 669 CD1 LEU A 192 22.608 -14.919 6.320 1.00 0.00 C ATOM 670 CD2 LEU A 192 21.968 -12.532 6.327 1.00 0.00 C ATOM 671 OXT LEU A 192 26.553 -11.512 3.818 1.00 0.00 O ATOM 0 H LEU A 192 23.892 -10.508 4.983 1.00 0.00 H new ATOM 0 HA LEU A 192 26.084 -11.863 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 192 25.058 -14.065 6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 192 24.384 -13.045 7.388 1.00 0.00 H new ATOM 0 HG LEU A 192 23.008 -13.509 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 192 21.602 -15.159 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 192 23.310 -15.657 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 192 22.632 -14.933 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 192 20.979 -12.811 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 192 21.967 -12.528 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 192 22.221 -11.537 5.961 1.00 0.00 H new TER 683 LEU A 192