USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 345 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 251 HIS : no HD1:sc= -2.83! K(o=-3.8!,f=-0.89) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -0.968 USER MOD Set 2.1: A 238 GLN : amide:sc= -1.33! C(o=-1.1!,f=-1.6!) USER MOD Set 2.2: A 248 TYR OH : rot -77:sc= 0.214 USER MOD Single : A 240 MET CE :methyl 157:sc= -0.163 (180deg=-0.894) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0.555 K(o=0.55,f=-0.013) USER MOD Single : A 247 TYR OH : rot 110:sc= -2.48! USER MOD Single : A 250 ASN : amide:sc= -1.57 K(o=-1.6,f=-16!) USER MOD Single : A 252 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.14) USER MOD Single : A 253 ASN : amide:sc= -0.175 K(o=-0.17,f=-2) USER MOD Single : A 254 LYS NZ :NH3+ -166:sc= -0.0016 (180deg=-0.105) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 256 THR OG1 : rot 90:sc= -0.372 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -20:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 7.088 5.513 7.060 1.00 15.00 N ATOM 9 CA PRO A 231 7.151 6.883 6.598 1.00 15.00 C ATOM 10 C PRO A 231 7.071 6.918 5.081 1.00 15.00 C ATOM 11 O PRO A 231 8.037 6.578 4.396 1.00 15.00 O ATOM 12 CB PRO A 231 8.543 7.314 7.082 1.00 15.00 C ATOM 13 CG PRO A 231 9.305 6.029 7.324 1.00 15.00 C ATOM 14 CD PRO A 231 8.399 4.901 6.886 1.00 15.00 C ATOM 0 HA PRO A 231 6.345 7.522 6.960 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.043 7.932 6.336 1.00 15.00 H new ATOM 0 HB3 PRO A 231 8.475 7.907 7.994 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.237 6.019 6.759 1.00 15.00 H new ATOM 0 HG3 PRO A 231 9.569 5.927 8.377 1.00 15.00 H new ATOM 0 HD2 PRO A 231 8.581 4.603 5.853 1.00 15.00 H new ATOM 0 HD3 PRO A 231 8.523 4.010 7.501 1.00 15.00 H new ATOM 22 N LEU A 232 5.915 7.262 4.541 1.00 15.00 N ATOM 23 CA LEU A 232 5.702 6.996 3.134 1.00 15.00 C ATOM 24 C LEU A 232 6.213 8.133 2.278 1.00 15.00 C ATOM 25 O LEU A 232 6.360 9.259 2.750 1.00 15.00 O ATOM 26 CB LEU A 232 4.243 6.693 2.768 1.00 15.00 C ATOM 27 CG LEU A 232 3.536 5.581 3.565 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.468 4.792 4.470 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.389 6.139 4.372 1.00 15.00 C ATOM 0 H LEU A 232 5.140 7.708 5.032 1.00 15.00 H new ATOM 0 HA LEU A 232 6.273 6.091 2.929 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.667 7.611 2.885 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.208 6.427 1.712 1.00 15.00 H new ATOM 0 HG LEU A 232 3.156 4.883 2.819 1.00 15.00 H new ATOM 0 HD11 LEU A 232 3.900 4.027 4.999 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.243 4.317 3.869 1.00 15.00 H new ATOM 0 HD13 LEU A 232 4.930 5.465 5.192 1.00 15.00 H new ATOM 0 HD21 LEU A 232 1.907 5.333 4.925 1.00 15.00 H new ATOM 0 HD22 LEU A 232 2.766 6.885 5.072 1.00 15.00 H new ATOM 0 HD23 LEU A 232 1.665 6.603 3.702 1.00 15.00 H new ATOM 41 N PRO A 233 6.455 7.856 0.988 1.00 15.00 N ATOM 42 CA PRO A 233 7.059 8.829 0.076 1.00 15.00 C ATOM 43 C PRO A 233 6.182 10.063 -0.101 1.00 15.00 C ATOM 44 O PRO A 233 6.634 11.199 0.052 1.00 15.00 O ATOM 45 CB PRO A 233 7.145 8.054 -1.238 1.00 15.00 C ATOM 46 CG PRO A 233 7.092 6.608 -0.846 1.00 15.00 C ATOM 47 CD PRO A 233 6.125 6.592 0.288 1.00 15.00 C ATOM 0 HA PRO A 233 8.017 9.201 0.439 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.320 8.312 -1.902 1.00 15.00 H new ATOM 0 HB3 PRO A 233 8.068 8.284 -1.771 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.754 5.980 -1.671 1.00 15.00 H new ATOM 0 HG3 PRO A 233 8.072 6.238 -0.544 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.091 6.574 -0.057 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.262 5.722 0.930 1.00 15.00 H new ATOM 55 N ASP A 234 4.922 9.814 -0.421 1.00 15.00 N ATOM 56 CA ASP A 234 3.941 10.870 -0.635 1.00 15.00 C ATOM 57 C ASP A 234 3.008 10.967 0.560 1.00 15.00 C ATOM 58 O ASP A 234 2.207 11.892 0.663 1.00 15.00 O ATOM 59 CB ASP A 234 3.121 10.602 -1.901 1.00 15.00 C ATOM 60 CG ASP A 234 3.980 10.474 -3.139 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.505 9.371 -3.390 1.00 15.00 O1- ATOM 62 OD2 ASP A 234 4.132 11.479 -3.865 1.00 15.00 O ATOM 0 H ASP A 234 4.548 8.872 -0.540 1.00 15.00 H new ATOM 0 HA ASP A 234 4.477 11.811 -0.756 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.545 9.687 -1.768 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.405 11.412 -2.043 1.00 15.00 H new ATOM 67 N GLY A 235 3.108 9.990 1.452 1.00 15.00 N ATOM 68 CA GLY A 235 2.141 9.859 2.524 1.00 15.00 C ATOM 69 C GLY A 235 0.984 8.977 2.110 1.00 15.00 C ATOM 70 O GLY A 235 -0.181 9.334 2.271 1.00 15.00 O ATOM 0 H GLY A 235 3.844 9.284 1.452 1.00 15.00 H new ATOM 0 HA2 GLY A 235 2.625 9.439 3.405 1.00 15.00 H new ATOM 0 HA3 GLY A 235 1.769 10.844 2.804 1.00 15.00 H new ATOM 74 N TRP A 236 1.321 7.816 1.568 1.00 15.00 N ATOM 75 CA TRP A 236 0.330 6.877 1.078 1.00 15.00 C ATOM 76 C TRP A 236 0.489 5.535 1.757 1.00 15.00 C ATOM 77 O TRP A 236 1.590 5.019 1.833 1.00 15.00 O ATOM 78 CB TRP A 236 0.433 6.747 -0.422 1.00 15.00 C ATOM 79 CG TRP A 236 1.789 6.443 -1.006 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.914 7.242 -1.069 1.00 15.00 C ATOM 81 CD2 TRP A 236 2.143 5.241 -1.696 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.841 6.645 -1.853 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.419 5.413 -2.210 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.503 4.044 -1.953 1.00 15.00 C ATOM 85 CZ2 TRP A 236 4.057 4.441 -2.965 1.00 15.00 C ATOM 86 CZ3 TRP A 236 2.171 3.094 -2.706 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.416 3.290 -3.192 1.00 15.00 C ATOM 0 H TRP A 236 2.285 7.502 1.457 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.664 7.255 1.318 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.253 5.961 -0.739 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.078 7.678 -0.865 1.00 15.00 H new ATOM 0 HD1 TRP A 236 3.035 8.193 -0.571 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.728 7.064 -2.133 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.509 3.855 -1.577 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 5.048 4.610 -3.360 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.676 2.157 -2.914 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.896 2.512 -3.767 1.00 15.00 H new ATOM 98 N GLU A 237 -0.612 4.878 2.069 1.00 15.00 N ATOM 99 CA GLU A 237 -0.669 4.091 3.287 1.00 15.00 C ATOM 100 C GLU A 237 -0.202 2.672 3.108 1.00 15.00 C ATOM 101 O GLU A 237 -0.446 2.006 2.099 1.00 15.00 O ATOM 102 CB GLU A 237 -2.098 4.087 3.825 1.00 15.00 C ATOM 103 CG GLU A 237 -2.304 3.304 5.119 1.00 15.00 C ATOM 104 CD GLU A 237 -1.511 3.890 6.274 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.312 3.570 6.409 1.00 15.00 O1- ATOM 106 OE2 GLU A 237 -2.080 4.701 7.037 1.00 15.00 O ATOM 0 H GLU A 237 -1.464 4.872 1.509 1.00 15.00 H new ATOM 0 HA GLU A 237 0.015 4.562 3.994 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.410 5.118 3.990 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.756 3.673 3.060 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.364 3.298 5.374 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.007 2.266 4.966 1.00 15.00 H new ATOM 113 N GLN A 238 0.440 2.248 4.172 1.00 15.00 N ATOM 114 CA GLN A 238 1.108 0.974 4.270 1.00 15.00 C ATOM 115 C GLN A 238 0.399 0.113 5.302 1.00 15.00 C ATOM 116 O GLN A 238 0.428 0.401 6.502 1.00 15.00 O ATOM 117 CB GLN A 238 2.579 1.191 4.644 1.00 15.00 C ATOM 118 CG GLN A 238 3.246 -0.001 5.298 1.00 15.00 C ATOM 119 CD GLN A 238 3.829 0.337 6.658 1.00 15.00 C ATOM 120 OE1 GLN A 238 4.991 0.726 6.774 1.00 15.00 O ATOM 121 NE2 GLN A 238 3.020 0.206 7.698 1.00 15.00 N ATOM 0 H GLN A 238 0.513 2.803 5.024 1.00 15.00 H new ATOM 0 HA GLN A 238 1.075 0.459 3.310 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.134 1.453 3.743 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.647 2.044 5.319 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.519 -0.806 5.407 1.00 15.00 H new ATOM 0 HG3 GLN A 238 4.038 -0.373 4.648 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.063 -0.119 7.562 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.354 0.431 8.635 1.00 15.00 H new ATOM 130 N ALA A 239 -0.249 -0.930 4.831 1.00 15.00 N ATOM 131 CA ALA A 239 -1.073 -1.755 5.686 1.00 15.00 C ATOM 132 C ALA A 239 -0.972 -3.216 5.287 1.00 15.00 C ATOM 133 O ALA A 239 -0.739 -3.534 4.124 1.00 15.00 O ATOM 134 CB ALA A 239 -2.508 -1.279 5.630 1.00 15.00 C ATOM 0 H ALA A 239 -0.221 -1.228 3.856 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.714 -1.666 6.711 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.124 -1.904 6.276 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.562 -0.244 5.968 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.874 -1.345 4.605 1.00 15.00 H new ATOM 140 N MET A 240 -1.130 -4.100 6.252 1.00 15.00 N ATOM 141 CA MET A 240 -0.964 -5.518 6.003 1.00 15.00 C ATOM 142 C MET A 240 -2.271 -6.175 5.584 1.00 15.00 C ATOM 143 O MET A 240 -3.293 -6.067 6.260 1.00 15.00 O ATOM 144 CB MET A 240 -0.397 -6.220 7.238 1.00 15.00 C ATOM 145 CG MET A 240 0.984 -5.721 7.636 1.00 15.00 C ATOM 146 SD MET A 240 1.758 -6.738 8.908 1.00 15.00 S ATOM 147 CE MET A 240 1.937 -8.289 8.028 1.00 15.00 C ATOM 0 H MET A 240 -1.373 -3.862 7.214 1.00 15.00 H new ATOM 0 HA MET A 240 -0.258 -5.621 5.179 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.082 -6.077 8.074 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.347 -7.292 7.046 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.625 -5.700 6.755 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.904 -4.695 7.997 1.00 15.00 H new ATOM 0 HE1 MET A 240 2.731 -8.878 8.487 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.000 -8.844 8.075 1.00 15.00 H new ATOM 0 HE3 MET A 240 2.189 -8.089 6.986 1.00 15.00 H new ATOM 157 N THR A 241 -2.196 -6.893 4.479 1.00 15.00 N ATOM 158 CA THR A 241 -3.298 -7.702 3.996 1.00 15.00 C ATOM 159 C THR A 241 -3.160 -9.085 4.616 1.00 15.00 C ATOM 160 O THR A 241 -2.043 -9.510 4.910 1.00 15.00 O ATOM 161 CB THR A 241 -3.307 -7.790 2.449 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.387 -8.610 1.994 1.00 15.00 O ATOM 163 CG2 THR A 241 -1.995 -8.348 1.919 1.00 15.00 C ATOM 0 H THR A 241 -1.365 -6.931 3.889 1.00 15.00 H new ATOM 0 HA THR A 241 -4.245 -7.245 4.285 1.00 15.00 H new ATOM 0 HB THR A 241 -3.437 -6.777 2.068 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.376 -8.651 1.015 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.034 -8.397 0.831 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.174 -7.699 2.224 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.836 -9.348 2.322 1.00 15.00 H new ATOM 171 N GLN A 242 -4.285 -9.769 4.824 1.00 15.00 N ATOM 172 CA GLN A 242 -4.346 -10.931 5.719 1.00 15.00 C ATOM 173 C GLN A 242 -3.401 -12.053 5.292 1.00 15.00 C ATOM 174 O GLN A 242 -2.936 -12.832 6.124 1.00 15.00 O ATOM 175 CB GLN A 242 -5.764 -11.490 5.764 1.00 15.00 C ATOM 176 CG GLN A 242 -6.853 -10.463 6.053 1.00 15.00 C ATOM 177 CD GLN A 242 -6.596 -9.643 7.303 1.00 15.00 C ATOM 178 OE1 GLN A 242 -6.941 -10.056 8.408 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.036 -8.456 7.133 1.00 15.00 N ATOM 0 H GLN A 242 -5.175 -9.538 4.382 1.00 15.00 H new ATOM 0 HA GLN A 242 -4.037 -10.577 6.703 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.981 -11.968 4.808 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.808 -12.268 6.526 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.943 -9.791 5.200 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -7.808 -10.978 6.156 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -5.764 -8.150 6.199 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -5.877 -7.848 7.936 1.00 15.00 H new ATOM 188 N ASP A 243 -3.144 -12.145 3.996 1.00 15.00 N ATOM 189 CA ASP A 243 -2.192 -13.127 3.454 1.00 15.00 C ATOM 190 C ASP A 243 -0.776 -12.834 3.945 1.00 15.00 C ATOM 191 O ASP A 243 0.138 -13.642 3.816 1.00 15.00 O ATOM 192 CB ASP A 243 -2.201 -13.071 1.945 1.00 15.00 C ATOM 193 CG ASP A 243 -1.621 -14.324 1.308 1.00 15.00 C ATOM 194 OD1 ASP A 243 -2.364 -15.314 1.160 1.00 15.00 O1- ATOM 195 OD2 ASP A 243 -0.429 -14.335 0.951 1.00 15.00 O ATOM 0 H ASP A 243 -3.580 -11.552 3.290 1.00 15.00 H new ATOM 0 HA ASP A 243 -2.495 -14.117 3.796 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -3.224 -12.932 1.597 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.631 -12.203 1.614 1.00 15.00 H new ATOM 200 N GLY A 244 -0.636 -11.659 4.510 1.00 15.00 N ATOM 201 CA GLY A 244 0.595 -11.234 5.145 1.00 15.00 C ATOM 202 C GLY A 244 1.549 -10.509 4.218 1.00 15.00 C ATOM 203 O GLY A 244 2.734 -10.827 4.157 1.00 15.00 O ATOM 0 H GLY A 244 -1.379 -10.961 4.544 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.353 -10.581 5.983 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.099 -12.108 5.557 1.00 15.00 H new ATOM 207 N GLU A 245 1.025 -9.504 3.523 1.00 15.00 N ATOM 208 CA GLU A 245 1.858 -8.553 2.785 1.00 15.00 C ATOM 209 C GLU A 245 1.574 -7.145 3.273 1.00 15.00 C ATOM 210 O GLU A 245 0.418 -6.775 3.486 1.00 15.00 O ATOM 211 CB GLU A 245 1.622 -8.606 1.272 1.00 15.00 C ATOM 212 CG GLU A 245 2.438 -9.662 0.542 1.00 15.00 C ATOM 213 CD GLU A 245 2.043 -11.077 0.895 1.00 15.00 C ATOM 214 OE1 GLU A 245 0.893 -11.460 0.604 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 2.887 -11.814 1.451 1.00 15.00 O ATOM 0 H GLU A 245 0.023 -9.325 3.454 1.00 15.00 H new ATOM 0 HA GLU A 245 2.896 -8.831 2.969 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.564 -8.792 1.089 1.00 15.00 H new ATOM 0 HB3 GLU A 245 1.852 -7.629 0.847 1.00 15.00 H new ATOM 0 HG2 GLU A 245 2.325 -9.519 -0.533 1.00 15.00 H new ATOM 0 HG3 GLU A 245 3.493 -9.519 0.774 1.00 15.00 H new ATOM 222 N ILE A 246 2.620 -6.357 3.427 1.00 15.00 N ATOM 223 CA ILE A 246 2.479 -4.992 3.896 1.00 15.00 C ATOM 224 C ILE A 246 2.509 -4.019 2.705 1.00 15.00 C ATOM 225 O ILE A 246 3.564 -3.613 2.227 1.00 15.00 O ATOM 226 CB ILE A 246 3.556 -4.684 4.969 1.00 15.00 C ATOM 227 CG1 ILE A 246 3.396 -3.277 5.530 1.00 15.00 C ATOM 228 CG2 ILE A 246 4.965 -4.900 4.430 1.00 15.00 C ATOM 229 CD1 ILE A 246 4.269 -3.019 6.741 1.00 15.00 C ATOM 0 H ILE A 246 3.581 -6.640 3.233 1.00 15.00 H new ATOM 0 HA ILE A 246 1.511 -4.861 4.380 1.00 15.00 H new ATOM 0 HB ILE A 246 3.405 -5.389 5.787 1.00 15.00 H new ATOM 0 HG12 ILE A 246 3.639 -2.552 4.753 1.00 15.00 H new ATOM 0 HG13 ILE A 246 2.352 -3.116 5.801 1.00 15.00 H new ATOM 0 HG21 ILE A 246 5.692 -4.674 5.210 1.00 15.00 H new ATOM 0 HG22 ILE A 246 5.080 -5.938 4.117 1.00 15.00 H new ATOM 0 HG23 ILE A 246 5.133 -4.243 3.577 1.00 15.00 H new ATOM 0 HD11 ILE A 246 4.110 -2.000 7.094 1.00 15.00 H new ATOM 0 HD12 ILE A 246 4.010 -3.722 7.533 1.00 15.00 H new ATOM 0 HD13 ILE A 246 5.316 -3.149 6.469 1.00 15.00 H new ATOM 241 N TYR A 247 1.311 -3.672 2.233 1.00 15.00 N ATOM 242 CA TYR A 247 1.118 -3.004 0.943 1.00 15.00 C ATOM 243 C TYR A 247 1.158 -1.476 1.062 1.00 15.00 C ATOM 244 O TYR A 247 0.809 -0.913 2.099 1.00 15.00 O ATOM 245 CB TYR A 247 -0.214 -3.459 0.293 1.00 15.00 C ATOM 246 CG TYR A 247 -1.460 -2.783 0.852 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.661 -1.418 0.691 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.428 -3.507 1.538 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.762 -0.788 1.194 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.556 -2.876 2.056 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.709 -1.510 1.880 1.00 15.00 C ATOM 252 OH TYR A 247 -4.830 -0.875 2.366 1.00 15.00 O ATOM 0 H TYR A 247 0.442 -3.847 2.737 1.00 15.00 H new ATOM 0 HA TYR A 247 1.951 -3.298 0.304 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.163 -3.267 -0.779 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.314 -4.537 0.420 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -0.925 -0.839 0.153 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.304 -4.572 1.671 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -2.889 0.275 1.053 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.303 -3.445 2.589 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.615 -1.160 1.854 1.00 15.00 H new ATOM 262 N TYR A 248 1.596 -0.833 -0.012 1.00 15.00 N ATOM 263 CA TYR A 248 1.517 0.621 -0.182 1.00 15.00 C ATOM 264 C TYR A 248 0.491 0.990 -1.257 1.00 15.00 C ATOM 265 O TYR A 248 0.652 0.632 -2.418 1.00 15.00 O ATOM 266 CB TYR A 248 2.893 1.150 -0.515 1.00 15.00 C ATOM 267 CG TYR A 248 3.754 1.263 0.710 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.342 0.134 1.262 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.992 2.496 1.315 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.137 0.225 2.381 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.795 2.586 2.423 1.00 15.00 C ATOM 272 CZ TYR A 248 5.365 1.455 2.955 1.00 15.00 C ATOM 273 OH TYR A 248 6.166 1.552 4.066 1.00 15.00 O ATOM 0 H TYR A 248 2.024 -1.310 -0.805 1.00 15.00 H new ATOM 0 HA TYR A 248 1.178 1.082 0.746 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.372 0.489 -1.237 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.803 2.128 -0.988 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.173 -0.831 0.806 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.540 3.388 0.908 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.580 -0.663 2.807 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.980 3.548 2.878 1.00 15.00 H new ATOM 0 HH TYR A 248 5.666 1.259 4.856 1.00 15.00 H new ATOM 283 N ILE A 249 -0.588 1.678 -0.869 1.00 15.00 N ATOM 284 CA ILE A 249 -1.545 2.203 -1.850 1.00 15.00 C ATOM 285 C ILE A 249 -1.592 3.715 -1.799 1.00 15.00 C ATOM 286 O ILE A 249 -1.589 4.320 -0.724 1.00 15.00 O ATOM 287 CB ILE A 249 -2.985 1.674 -1.685 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.547 1.988 -0.298 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.052 0.191 -1.980 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.899 1.358 -0.056 1.00 15.00 C ATOM 0 H ILE A 249 -0.819 1.883 0.103 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.174 1.848 -2.812 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.611 2.192 -2.411 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.847 1.637 0.460 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.629 3.069 -0.181 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.077 -0.159 -1.857 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.727 0.009 -3.004 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.400 -0.347 -1.291 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.247 1.616 0.944 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.610 1.728 -0.794 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.816 0.275 -0.143 1.00 15.00 H new ATOM 302 N ASN A 250 -1.641 4.323 -2.967 1.00 15.00 N ATOM 303 CA ASN A 250 -1.586 5.767 -3.069 1.00 15.00 C ATOM 304 C ASN A 250 -2.812 6.298 -3.790 1.00 15.00 C ATOM 305 O ASN A 250 -3.169 5.802 -4.860 1.00 15.00 O ATOM 306 CB ASN A 250 -0.327 6.179 -3.823 1.00 15.00 C ATOM 307 CG ASN A 250 0.010 7.642 -3.635 1.00 15.00 C ATOM 308 OD1 ASN A 250 -0.863 8.455 -3.356 1.00 15.00 O ATOM 309 ND2 ASN A 250 1.278 7.987 -3.794 1.00 15.00 N ATOM 0 H ASN A 250 -1.719 3.838 -3.861 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.564 6.188 -2.064 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.511 5.570 -3.484 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.460 5.974 -4.885 1.00 15.00 H new ATOM 0 HD21 ASN A 250 1.559 8.961 -3.684 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.974 7.278 -4.026 1.00 15.00 H new ATOM 316 N HIS A 251 -3.428 7.326 -3.217 1.00 15.00 N ATOM 317 CA HIS A 251 -4.614 7.944 -3.801 1.00 15.00 C ATOM 318 C HIS A 251 -4.248 8.964 -4.877 1.00 15.00 C ATOM 319 O HIS A 251 -5.078 9.305 -5.719 1.00 15.00 O ATOM 320 CB HIS A 251 -5.476 8.605 -2.723 1.00 15.00 C ATOM 321 CG HIS A 251 -6.428 7.666 -2.040 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.040 6.731 -1.103 1.00 15.00 N ATOM 323 CD2 HIS A 251 -7.767 7.527 -2.172 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.101 6.062 -0.690 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.161 6.525 -1.320 1.00 15.00 N ATOM 0 H HIS A 251 -3.123 7.752 -2.342 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.190 7.147 -4.272 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -4.823 9.052 -1.974 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.045 9.417 -3.175 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.408 8.099 -2.827 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -7.100 5.268 0.042 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -9.118 6.194 -1.195 1.00 15.00 H new ATOM 334 N LYS A 252 -3.017 9.474 -4.843 1.00 15.00 N ATOM 335 CA LYS A 252 -2.547 10.367 -5.902 1.00 15.00 C ATOM 336 C LYS A 252 -1.823 9.568 -6.978 1.00 15.00 C ATOM 337 O LYS A 252 -1.522 10.085 -8.054 1.00 15.00 O ATOM 338 CB LYS A 252 -1.628 11.480 -5.364 1.00 15.00 C ATOM 339 CG LYS A 252 -0.431 10.969 -4.583 1.00 15.00 C ATOM 340 CD LYS A 252 0.655 12.019 -4.418 1.00 15.00 C ATOM 341 CE LYS A 252 1.420 12.236 -5.713 1.00 15.00 C ATOM 342 NZ LYS A 252 2.685 12.985 -5.494 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.337 9.288 -4.106 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.425 10.850 -6.331 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -1.273 12.080 -6.202 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -2.212 12.141 -4.723 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.760 10.635 -3.599 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -0.015 10.099 -5.092 1.00 15.00 H new ATOM 0 HD2 LYS A 252 0.208 12.959 -4.096 1.00 15.00 H new ATOM 0 HD3 LYS A 252 1.346 11.710 -3.633 1.00 15.00 H new ATOM 0 HE2 LYS A 252 1.644 11.271 -6.168 1.00 15.00 H new ATOM 0 HE3 LYS A 252 0.793 12.782 -6.417 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 3.320 12.839 -6.305 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 2.476 13.999 -5.397 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 3.146 12.642 -4.627 1.00 15.00 H new ATOM 356 N ASN A 253 -1.534 8.308 -6.670 1.00 15.00 N ATOM 357 CA ASN A 253 -0.909 7.408 -7.634 1.00 15.00 C ATOM 358 C ASN A 253 -1.941 6.455 -8.218 1.00 15.00 C ATOM 359 O ASN A 253 -1.719 5.859 -9.273 1.00 15.00 O ATOM 360 CB ASN A 253 0.256 6.623 -7.005 1.00 15.00 C ATOM 361 CG ASN A 253 1.513 7.466 -6.872 1.00 15.00 C ATOM 362 OD1 ASN A 253 1.446 8.692 -6.785 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.667 6.818 -6.833 1.00 15.00 N ATOM 0 H ASN A 253 -1.722 7.886 -5.761 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.498 8.018 -8.438 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.042 6.261 -6.021 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.472 5.746 -7.615 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.539 7.336 -6.728 1.00 15.00 H new ATOM 0 HD22 ASN A 253 2.684 5.801 -6.908 1.00 15.00 H new ATOM 370 N LYS A 254 -3.063 6.309 -7.511 1.00 15.00 N ATOM 371 CA LYS A 254 -4.180 5.481 -7.963 1.00 15.00 C ATOM 372 C LYS A 254 -3.730 4.025 -8.160 1.00 15.00 C ATOM 373 O LYS A 254 -4.259 3.295 -8.998 1.00 15.00 O ATOM 374 CB LYS A 254 -4.765 6.074 -9.258 1.00 15.00 C ATOM 375 CG LYS A 254 -6.011 5.367 -9.767 1.00 15.00 C ATOM 376 CD LYS A 254 -6.621 6.089 -10.954 1.00 15.00 C ATOM 377 CE LYS A 254 -7.561 5.184 -11.733 1.00 15.00 C ATOM 378 NZ LYS A 254 -6.816 4.171 -12.532 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.222 6.761 -6.611 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.960 5.476 -7.202 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -5.002 7.124 -9.087 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -4.001 6.042 -10.035 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.759 4.346 -10.053 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.746 5.301 -8.964 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -7.165 6.968 -10.607 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.828 6.444 -11.612 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -8.235 4.678 -11.042 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -8.180 5.788 -12.397 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.458 3.733 -13.223 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.031 4.633 -13.033 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.438 3.438 -11.898 1.00 15.00 H new ATOM 392 N THR A 255 -2.787 3.579 -7.344 1.00 15.00 N ATOM 393 CA THR A 255 -2.253 2.235 -7.508 1.00 15.00 C ATOM 394 C THR A 255 -1.849 1.580 -6.227 1.00 15.00 C ATOM 395 O THR A 255 -1.490 2.216 -5.230 1.00 15.00 O ATOM 396 CB THR A 255 -1.084 2.100 -8.500 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.488 0.798 -8.419 1.00 15.00 O ATOM 398 CG2 THR A 255 -0.014 3.159 -8.277 1.00 15.00 C ATOM 0 H THR A 255 -2.382 4.115 -6.576 1.00 15.00 H new ATOM 0 HA THR A 255 -3.115 1.718 -7.931 1.00 15.00 H new ATOM 0 HB THR A 255 -1.505 2.246 -9.495 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.251 0.736 -9.060 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.790 3.022 -9.001 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.451 4.150 -8.403 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.387 3.064 -7.268 1.00 15.00 H new ATOM 406 N THR A 256 -1.961 0.288 -6.302 1.00 15.00 N ATOM 407 CA THR A 256 -1.613 -0.597 -5.217 1.00 15.00 C ATOM 408 C THR A 256 -0.278 -1.269 -5.514 1.00 15.00 C ATOM 409 O THR A 256 -0.148 -2.027 -6.478 1.00 15.00 O ATOM 410 CB THR A 256 -2.688 -1.668 -4.998 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.950 -1.042 -4.745 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.308 -2.572 -3.833 1.00 15.00 C ATOM 0 H THR A 256 -2.303 -0.196 -7.132 1.00 15.00 H new ATOM 0 HA THR A 256 -1.538 -0.002 -4.307 1.00 15.00 H new ATOM 0 HB THR A 256 -2.766 -2.279 -5.898 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.420 -0.899 -5.593 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.081 -3.327 -3.691 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.358 -3.062 -4.047 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.212 -1.975 -2.926 1.00 15.00 H new ATOM 420 N SER A 257 0.710 -0.972 -4.695 1.00 15.00 N ATOM 421 CA SER A 257 2.048 -1.491 -4.871 1.00 15.00 C ATOM 422 C SER A 257 2.419 -2.329 -3.645 1.00 15.00 C ATOM 423 O SER A 257 2.077 -1.967 -2.523 1.00 15.00 O ATOM 424 CB SER A 257 3.007 -0.311 -5.066 1.00 15.00 C ATOM 425 OG SER A 257 4.269 -0.733 -5.556 1.00 15.00 O ATOM 0 H SER A 257 0.605 -0.361 -3.885 1.00 15.00 H new ATOM 0 HA SER A 257 2.111 -2.133 -5.750 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.567 0.403 -5.762 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.141 0.209 -4.117 1.00 15.00 H new ATOM 0 HG SER A 257 4.853 0.046 -5.669 1.00 15.00 H new ATOM 431 N TRP A 258 3.116 -3.442 -3.861 1.00 15.00 N ATOM 432 CA TRP A 258 3.376 -4.414 -2.795 1.00 15.00 C ATOM 433 C TRP A 258 4.160 -3.833 -1.620 1.00 15.00 C ATOM 434 O TRP A 258 3.621 -3.648 -0.538 1.00 15.00 O ATOM 435 CB TRP A 258 4.158 -5.616 -3.330 1.00 15.00 C ATOM 436 CG TRP A 258 3.322 -6.670 -3.985 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.480 -7.169 -5.242 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.200 -7.358 -3.421 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.545 -8.139 -5.489 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.744 -8.267 -4.391 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.538 -7.297 -2.193 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.662 -9.107 -4.173 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.451 -8.125 -1.985 1.00 15.00 C ATOM 444 CH2 TRP A 258 0.029 -9.022 -2.973 1.00 15.00 C ATOM 0 H TRP A 258 3.513 -3.696 -4.766 1.00 15.00 H new ATOM 0 HA TRP A 258 2.391 -4.714 -2.437 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.897 -5.260 -4.048 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.708 -6.069 -2.505 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.235 -6.846 -5.944 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.461 -8.677 -6.351 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.868 -6.617 -1.422 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.334 -9.804 -4.930 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.081 -8.079 -1.046 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -0.819 -9.661 -2.778 1.00 15.00 H new ATOM 455 N LEU A 259 5.424 -3.541 -1.857 1.00 15.00 N ATOM 456 CA LEU A 259 6.390 -3.343 -0.786 1.00 15.00 C ATOM 457 C LEU A 259 6.940 -1.924 -0.712 1.00 15.00 C ATOM 458 O LEU A 259 6.847 -1.159 -1.674 1.00 15.00 O ATOM 459 CB LEU A 259 7.513 -4.360 -0.829 1.00 15.00 C ATOM 460 CG LEU A 259 7.355 -5.497 0.180 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.672 -6.230 0.327 1.00 15.00 C ATOM 462 CD2 LEU A 259 6.890 -4.956 1.533 1.00 15.00 C ATOM 0 H LEU A 259 5.813 -3.434 -2.794 1.00 15.00 H new ATOM 0 HA LEU A 259 5.827 -3.503 0.133 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.570 -4.782 -1.832 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.459 -3.851 -0.643 1.00 15.00 H new ATOM 0 HG LEU A 259 6.598 -6.192 -0.184 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.559 -7.041 1.047 1.00 15.00 H new ATOM 0 HD12 LEU A 259 8.970 -6.640 -0.638 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.437 -5.537 0.678 1.00 15.00 H new ATOM 0 HD21 LEU A 259 6.783 -5.781 2.238 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.625 -4.247 1.913 1.00 15.00 H new ATOM 0 HD23 LEU A 259 5.930 -4.454 1.414 1.00 15.00 H new ATOM 474 N ASP A 260 7.518 -1.588 0.451 1.00 15.00 N ATOM 475 CA ASP A 260 7.758 -0.218 0.860 1.00 15.00 C ATOM 476 C ASP A 260 8.635 0.537 -0.118 1.00 15.00 C ATOM 477 O ASP A 260 9.756 0.147 -0.438 1.00 15.00 O ATOM 478 CB ASP A 260 8.415 -0.199 2.247 1.00 15.00 C ATOM 479 CG ASP A 260 9.572 -1.165 2.367 1.00 15.00 C ATOM 480 OD1 ASP A 260 10.704 -0.773 2.058 1.00 15.00 O ATOM 481 OD2 ASP A 260 9.344 -2.314 2.789 1.00 15.00 O1- ATOM 0 H ASP A 260 7.832 -2.277 1.134 1.00 15.00 H new ATOM 0 HA ASP A 260 6.790 0.282 0.888 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.768 0.810 2.462 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.666 -0.442 3.001 1.00 15.00 H new ATOM 486 N PRO A 261 8.096 1.666 -0.583 1.00 15.00 N ATOM 487 CA PRO A 261 8.689 2.513 -1.592 1.00 15.00 C ATOM 488 C PRO A 261 9.660 3.470 -1.041 1.00 15.00 C ATOM 489 O PRO A 261 10.381 4.230 -1.683 1.00 15.00 O ATOM 490 CB PRO A 261 7.481 3.121 -2.289 1.00 15.00 C ATOM 491 CG PRO A 261 6.512 3.318 -1.154 1.00 15.00 C ATOM 492 CD PRO A 261 6.792 2.204 -0.171 1.00 15.00 C ATOM 0 HA PRO A 261 9.318 1.977 -2.303 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.727 4.063 -2.780 1.00 15.00 H new ATOM 0 HB3 PRO A 261 7.079 2.458 -3.055 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.650 4.294 -0.688 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.482 3.276 -1.508 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.822 2.577 0.853 1.00 15.00 H new ATOM 0 HD3 PRO A 261 6.017 1.438 -0.208 1.00 15.00 H new ATOM 500 N ARG A 262 9.556 3.363 0.161 1.00 15.00 N ATOM 501 CA ARG A 262 10.164 4.249 1.146 1.00 15.00 C ATOM 502 C ARG A 262 11.579 3.787 1.487 1.00 15.00 C ATOM 503 O ARG A 262 12.336 4.499 2.147 1.00 15.00 O ATOM 504 CB ARG A 262 9.289 4.350 2.407 1.00 15.00 C ATOM 505 CG ARG A 262 9.058 3.033 3.136 1.00 15.00 C ATOM 506 CD ARG A 262 10.131 2.758 4.181 1.00 15.00 C ATOM 507 NE ARG A 262 9.956 1.451 4.817 1.00 15.00 N ATOM 508 CZ ARG A 262 10.280 1.185 6.085 1.00 15.00 C ATOM 509 NH1 ARG A 262 10.804 2.131 6.851 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 10.096 -0.035 6.576 1.00 15.00 N ATOM 0 H ARG A 262 9.013 2.614 0.591 1.00 15.00 H new ATOM 0 HA ARG A 262 10.234 5.246 0.712 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.753 5.054 3.098 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.322 4.768 2.128 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.081 3.053 3.618 1.00 15.00 H new ATOM 0 HG3 ARG A 262 9.040 2.218 2.413 1.00 15.00 H new ATOM 0 HD2 ARG A 262 11.114 2.804 3.712 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.104 3.538 4.942 1.00 15.00 H new ATOM 0 HE ARG A 262 9.562 0.696 4.256 1.00 15.00 H new ATOM 0 HH11 ARG A 262 10.961 3.065 6.472 1.00 15.00 H new ATOM 0 HH12 ARG A 262 11.050 1.925 7.819 1.00 15.00 H new ATOM 0 HH21 ARG A 262 9.707 -0.769 5.985 1.00 15.00 H new ATOM 0 HH22 ARG A 262 10.344 -0.238 7.545 1.00 15.00 H new ATOM 524 N LEU A 263 11.925 2.588 1.036 1.00 15.00 N ATOM 525 CA LEU A 263 13.262 2.051 1.230 1.00 15.00 C ATOM 526 C LEU A 263 13.900 1.737 -0.116 1.00 15.00 C ATOM 527 O LEU A 263 14.578 2.632 -0.671 1.00 15.00 O ATOM 528 CB LEU A 263 13.224 0.795 2.111 1.00 15.00 C ATOM 529 CG LEU A 263 13.055 1.045 3.612 1.00 15.00 C ATOM 530 CD1 LEU A 263 13.176 -0.261 4.383 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.076 2.054 4.107 1.00 15.00 C ATOM 532 OXT LEU A 263 13.703 0.616 -0.630 1.00 15.00 O ATOM 0 H LEU A 263 11.293 1.967 0.531 1.00 15.00 H new ATOM 0 HA LEU A 263 13.865 2.803 1.739 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.405 0.160 1.772 1.00 15.00 H new ATOM 0 HB3 LEU A 263 14.147 0.236 1.956 1.00 15.00 H new ATOM 0 HG LEU A 263 12.060 1.457 3.782 1.00 15.00 H new ATOM 0 HD11 LEU A 263 13.054 -0.067 5.449 1.00 15.00 H new ATOM 0 HD12 LEU A 263 12.403 -0.954 4.049 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.158 -0.699 4.204 1.00 15.00 H new ATOM 0 HD21 LEU A 263 13.938 2.217 5.176 1.00 15.00 H new ATOM 0 HD22 LEU A 263 15.081 1.674 3.925 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.943 2.997 3.576 1.00 15.00 H new ATOM 545 N THR B 222 2.188 -12.262 -8.265 1.00 15.00 N ATOM 546 CA THR B 222 0.899 -12.164 -7.551 1.00 15.00 C ATOM 547 C THR B 222 0.425 -10.714 -7.503 1.00 15.00 C ATOM 548 O THR B 222 1.244 -9.800 -7.381 1.00 15.00 O ATOM 549 CB THR B 222 1.028 -12.701 -6.110 1.00 15.00 C ATOM 550 OG1 THR B 222 2.184 -12.132 -5.477 1.00 15.00 O ATOM 551 CG2 THR B 222 1.135 -14.218 -6.100 1.00 15.00 C ATOM 0 HA THR B 222 0.171 -12.767 -8.094 1.00 15.00 H new ATOM 0 HB THR B 222 0.132 -12.415 -5.560 1.00 15.00 H new ATOM 0 HG1 THR B 222 2.797 -11.791 -6.161 1.00 15.00 H new ATOM 0 HG21 THR B 222 1.225 -14.570 -5.072 1.00 15.00 H new ATOM 0 HG22 THR B 222 0.243 -14.649 -6.554 1.00 15.00 H new ATOM 0 HG23 THR B 222 2.014 -14.524 -6.666 1.00 15.00 H new ATOM 561 N PRO B 223 -0.892 -10.478 -7.631 1.00 15.00 N ATOM 562 CA PRO B 223 -1.471 -9.148 -7.496 1.00 15.00 C ATOM 563 C PRO B 223 -1.906 -8.857 -6.047 1.00 15.00 C ATOM 564 O PRO B 223 -2.356 -9.773 -5.352 1.00 15.00 O ATOM 565 CB PRO B 223 -2.688 -9.234 -8.415 1.00 15.00 C ATOM 566 CG PRO B 223 -3.131 -10.661 -8.338 1.00 15.00 C ATOM 567 CD PRO B 223 -1.921 -11.484 -7.952 1.00 15.00 C ATOM 0 HA PRO B 223 -0.773 -8.349 -7.748 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.478 -8.557 -8.089 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -2.431 -8.955 -9.437 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.927 -10.778 -7.602 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -3.532 -10.992 -9.296 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.132 -12.126 -7.097 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.603 -12.133 -8.768 1.00 15.00 H new ATOM 575 N PRO B 224 -1.819 -7.596 -5.550 1.00 15.00 N ATOM 576 CA PRO B 224 -2.273 -7.249 -4.212 1.00 15.00 C ATOM 577 C PRO B 224 -3.733 -6.794 -4.259 1.00 15.00 C ATOM 578 O PRO B 224 -4.346 -6.822 -5.330 1.00 15.00 O ATOM 579 CB PRO B 224 -1.326 -6.091 -3.814 1.00 15.00 C ATOM 580 CG PRO B 224 -0.734 -5.587 -5.097 1.00 15.00 C ATOM 581 CD PRO B 224 -1.363 -6.374 -6.219 1.00 15.00 C ATOM 0 HA PRO B 224 -2.242 -8.075 -3.502 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.871 -5.300 -3.298 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.548 -6.438 -3.134 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.929 -4.521 -5.218 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.348 -5.715 -5.097 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.190 -5.832 -6.677 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.646 -6.591 -7.011 1.00 15.00 H new ATOM 589 N PRO B 225 -4.333 -6.427 -3.116 1.00 15.00 N ATOM 590 CA PRO B 225 -5.670 -5.822 -3.100 1.00 15.00 C ATOM 591 C PRO B 225 -5.773 -4.676 -4.109 1.00 15.00 C ATOM 592 O PRO B 225 -4.791 -3.993 -4.372 1.00 15.00 O ATOM 593 CB PRO B 225 -5.788 -5.292 -1.670 1.00 15.00 C ATOM 594 CG PRO B 225 -4.927 -6.200 -0.863 1.00 15.00 C ATOM 595 CD PRO B 225 -3.784 -6.593 -1.757 1.00 15.00 C ATOM 0 HA PRO B 225 -6.458 -6.524 -3.372 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.449 -4.258 -1.601 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.821 -5.313 -1.323 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.565 -5.698 0.035 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.485 -7.077 -0.535 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -2.913 -5.958 -1.596 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.468 -7.620 -1.575 1.00 15.00 H new ATOM 603 N ALA B 226 -6.958 -4.467 -4.670 1.00 15.00 N ATOM 604 CA ALA B 226 -7.157 -3.417 -5.671 1.00 15.00 C ATOM 605 C ALA B 226 -6.899 -2.031 -5.080 1.00 15.00 C ATOM 606 O ALA B 226 -6.571 -1.903 -3.902 1.00 15.00 O ATOM 607 CB ALA B 226 -8.564 -3.500 -6.242 1.00 15.00 C ATOM 0 H ALA B 226 -7.795 -5.007 -4.452 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.438 -3.573 -6.476 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.702 -2.715 -6.985 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.710 -4.473 -6.711 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.290 -3.371 -5.440 1.00 15.00 H new ATOM 613 N TYR B 227 -7.046 -0.991 -5.892 1.00 15.00 N ATOM 614 CA TYR B 227 -6.865 0.372 -5.408 1.00 15.00 C ATOM 615 C TYR B 227 -8.013 0.725 -4.467 1.00 15.00 C ATOM 616 O TYR B 227 -9.193 0.618 -4.803 1.00 15.00 O ATOM 617 CB TYR B 227 -6.719 1.351 -6.584 1.00 15.00 C ATOM 618 CG TYR B 227 -6.840 2.809 -6.203 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.136 3.331 -5.123 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.663 3.661 -6.922 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.255 4.657 -4.770 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.785 4.991 -6.579 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.082 5.485 -5.502 1.00 15.00 C ATOM 624 OH TYR B 227 -7.211 6.808 -5.156 1.00 15.00 O ATOM 0 H TYR B 227 -7.288 -1.064 -6.880 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.939 0.451 -4.839 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.750 1.191 -7.056 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.479 1.119 -7.330 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.485 2.686 -4.552 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -8.218 3.277 -7.765 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.705 5.046 -3.926 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.429 5.642 -7.152 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.830 7.249 -5.774 1.00 15.00 H new ATOM 634 N LEU B 228 -7.618 1.174 -3.296 1.00 15.00 N ATOM 635 CA LEU B 228 -8.406 1.062 -2.086 1.00 15.00 C ATOM 636 C LEU B 228 -8.129 2.227 -1.147 1.00 15.00 C ATOM 637 O LEU B 228 -7.065 2.836 -1.219 1.00 15.00 O ATOM 638 CB LEU B 228 -8.107 -0.255 -1.357 1.00 15.00 C ATOM 639 CG LEU B 228 -8.775 -1.502 -1.944 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.404 -2.731 -1.132 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.288 -1.335 -1.988 1.00 15.00 C ATOM 0 H LEU B 228 -6.720 1.637 -3.154 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.456 1.079 -2.379 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.028 -0.410 -1.353 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.418 -0.153 -0.317 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.415 -1.634 -2.965 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -8.886 -3.610 -1.561 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.322 -2.866 -1.149 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -8.737 -2.601 -0.102 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.741 -2.233 -2.409 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.666 -1.177 -0.978 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.541 -0.476 -2.609 1.00 15.00 H new ATOM 653 N PRO B 229 -9.092 2.613 -0.303 1.00 15.00 N ATOM 654 CA PRO B 229 -8.769 3.442 0.841 1.00 15.00 C ATOM 655 C PRO B 229 -8.396 2.506 1.989 1.00 15.00 C ATOM 656 O PRO B 229 -8.921 1.395 2.086 1.00 15.00 O ATOM 657 CB PRO B 229 -10.081 4.182 1.147 1.00 15.00 C ATOM 658 CG PRO B 229 -11.114 3.627 0.213 1.00 15.00 C ATOM 659 CD PRO B 229 -10.539 2.383 -0.409 1.00 15.00 C ATOM 0 HA PRO B 229 -7.945 4.138 0.681 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.377 4.032 2.185 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -9.963 5.256 1.001 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.033 3.397 0.751 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.369 4.357 -0.555 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.847 1.483 0.124 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.856 2.264 -1.445 1.00 15.00 H new ATOM 667 N PRO B 230 -7.519 2.945 2.900 1.00 15.00 N ATOM 668 CA PRO B 230 -6.545 2.063 3.544 1.00 15.00 C ATOM 669 C PRO B 230 -7.031 1.383 4.813 1.00 15.00 C ATOM 670 O PRO B 230 -7.838 1.919 5.580 1.00 15.00 O ATOM 671 CB PRO B 230 -5.396 3.023 3.887 1.00 15.00 C ATOM 672 CG PRO B 230 -5.857 4.401 3.504 1.00 15.00 C ATOM 673 CD PRO B 230 -7.347 4.323 3.346 1.00 15.00 C ATOM 0 HA PRO B 230 -6.292 1.232 2.885 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.156 2.976 4.949 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.490 2.753 3.344 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.586 5.128 4.270 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.385 4.724 2.576 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -7.870 4.520 4.282 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -7.720 5.041 2.615 1.00 15.00 H new ATOM 681 N GLU B 231 -6.468 0.197 5.027 1.00 15.00 N ATOM 682 CA GLU B 231 -6.999 -0.784 5.968 1.00 15.00 C ATOM 683 C GLU B 231 -6.170 -0.863 7.237 1.00 15.00 C ATOM 684 O GLU B 231 -4.967 -0.628 7.232 1.00 15.00 O ATOM 685 CB GLU B 231 -7.126 -2.164 5.308 1.00 15.00 C ATOM 686 CG GLU B 231 -5.924 -2.617 4.524 1.00 15.00 C ATOM 687 CD GLU B 231 -6.304 -3.600 3.442 1.00 15.00 C ATOM 688 OE1 GLU B 231 -6.683 -3.147 2.345 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -6.241 -4.822 3.684 1.00 15.00 O ATOM 0 H GLU B 231 -5.623 -0.113 4.548 1.00 15.00 H new ATOM 0 HA GLU B 231 -7.995 -0.448 6.255 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.332 -2.902 6.084 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -7.989 -2.152 4.643 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.435 -1.753 4.075 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.202 -3.078 5.198 1.00 15.00 H new ATOM 696 N ASP B 232 -6.838 -1.205 8.323 1.00 15.00 N ATOM 697 CA ASP B 232 -6.242 -1.134 9.653 1.00 15.00 C ATOM 698 C ASP B 232 -5.918 -2.518 10.243 1.00 15.00 C ATOM 699 O ASP B 232 -4.803 -2.730 10.719 1.00 15.00 O ATOM 700 CB ASP B 232 -7.165 -0.361 10.601 1.00 15.00 C ATOM 701 CG ASP B 232 -6.585 -0.211 11.993 1.00 15.00 C ATOM 702 OD1 ASP B 232 -5.799 0.733 12.213 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -6.927 -1.024 12.879 1.00 15.00 O ATOM 0 H ASP B 232 -7.802 -1.538 8.314 1.00 15.00 H new ATOM 0 HA ASP B 232 -5.293 -0.608 9.546 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -7.360 0.628 10.185 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.124 -0.874 10.665 1.00 15.00 H new ATOM 708 N PRO B 233 -6.878 -3.473 10.266 1.00 15.00 N ATOM 709 CA PRO B 233 -6.656 -4.794 10.855 1.00 15.00 C ATOM 710 C PRO B 233 -5.938 -5.754 9.905 1.00 15.00 C ATOM 711 O PRO B 233 -6.624 -6.445 9.123 1.00 15.00 O ATOM 712 CB PRO B 233 -8.074 -5.305 11.165 1.00 15.00 C ATOM 713 CG PRO B 233 -9.016 -4.232 10.711 1.00 15.00 C ATOM 714 CD PRO B 233 -8.249 -3.363 9.759 1.00 15.00 C ATOM 715 OXT PRO B 233 -4.692 -5.824 9.961 1.00 15.00 O ATOM 0 HA PRO B 233 -6.012 -4.733 11.732 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -8.272 -6.242 10.645 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -8.192 -5.501 12.231 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.890 -4.664 10.223 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -9.379 -3.651 11.559 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.331 -3.716 8.731 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -8.605 -2.333 9.772 1.00 15.00 H new