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= -2.45! K(o=-4.5!,f=-2.3) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -2.03! USER MOD Set 2.1: A 250 ASN : amide:sc= -0.327 K(o=-0.78,f=-11!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.452 K(o=-0.78,f=-1.9!) USER MOD Single : A 238 GLN : amide:sc= -3.05! C(o=-3!,f=-4.6!) USER MOD Single : A 240 MET CE :methyl -155:sc= -0.337 (180deg=-1.2!) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot 100:sc= -2.73! USER MOD Single : A 248 TYR OH : rot 130:sc= 0 USER MOD Single : A 252 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1) USER MOD Single : A 254 LYS NZ :NH3+ -160:sc= -0.0493 (180deg=-0.407) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 256 THR OG1 : rot -161:sc= 0.233 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -31:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 7.838 5.987 6.983 1.00 15.00 N ATOM 9 CA PRO A 231 7.806 7.308 6.404 1.00 15.00 C ATOM 10 C PRO A 231 7.556 7.211 4.913 1.00 15.00 C ATOM 11 O PRO A 231 8.468 6.894 4.145 1.00 15.00 O ATOM 12 CB PRO A 231 9.230 7.811 6.689 1.00 15.00 C ATOM 13 CG PRO A 231 10.050 6.566 6.960 1.00 15.00 C ATOM 14 CD PRO A 231 9.138 5.389 6.703 1.00 15.00 C ATOM 0 HA PRO A 231 7.025 7.958 6.800 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.628 8.366 5.840 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.244 8.485 7.545 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.925 6.528 6.311 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.415 6.557 7.987 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.213 5.023 5.679 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.356 4.546 7.359 1.00 15.00 H new ATOM 22 N LEU A 232 6.319 7.405 4.485 1.00 15.00 N ATOM 23 CA LEU A 232 6.004 7.075 3.113 1.00 15.00 C ATOM 24 C LEU A 232 6.459 8.174 2.188 1.00 15.00 C ATOM 25 O LEU A 232 6.644 9.312 2.614 1.00 15.00 O ATOM 26 CB LEU A 232 4.523 6.760 2.851 1.00 15.00 C ATOM 27 CG LEU A 232 3.902 5.630 3.685 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.930 4.892 4.538 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.793 6.155 4.562 1.00 15.00 C ATOM 0 H LEU A 232 5.549 7.773 5.043 1.00 15.00 H new ATOM 0 HA LEU A 232 6.548 6.152 2.911 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.946 7.668 3.025 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.410 6.507 1.797 1.00 15.00 H new ATOM 0 HG LEU A 232 3.493 4.914 2.972 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.434 4.105 5.106 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.689 4.451 3.892 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.402 5.593 5.226 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.369 5.336 5.143 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.191 6.911 5.239 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.016 6.598 3.940 1.00 15.00 H new ATOM 41 N PRO A 233 6.617 7.855 0.902 1.00 15.00 N ATOM 42 CA PRO A 233 7.142 8.802 -0.077 1.00 15.00 C ATOM 43 C PRO A 233 6.259 10.041 -0.200 1.00 15.00 C ATOM 44 O PRO A 233 6.709 11.174 -0.019 1.00 15.00 O ATOM 45 CB PRO A 233 7.097 8.002 -1.369 1.00 15.00 C ATOM 46 CG PRO A 233 7.100 6.563 -0.956 1.00 15.00 C ATOM 47 CD PRO A 233 6.266 6.556 0.278 1.00 15.00 C ATOM 0 HA PRO A 233 8.132 9.173 0.189 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.204 8.241 -1.947 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.956 8.230 -2.000 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.678 5.922 -1.730 1.00 15.00 H new ATOM 0 HG3 PRO A 233 8.110 6.203 -0.760 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.202 6.488 0.050 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.507 5.714 0.927 1.00 15.00 H new ATOM 55 N ASP A 234 4.994 9.800 -0.507 1.00 15.00 N ATOM 56 CA ASP A 234 4.004 10.857 -0.651 1.00 15.00 C ATOM 57 C ASP A 234 3.146 10.930 0.599 1.00 15.00 C ATOM 58 O ASP A 234 2.336 11.841 0.765 1.00 15.00 O ATOM 59 CB ASP A 234 3.114 10.602 -1.872 1.00 15.00 C ATOM 60 CG ASP A 234 3.903 10.456 -3.157 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.515 9.387 -3.360 1.00 15.00 O ATOM 62 OD2 ASP A 234 3.899 11.399 -3.974 1.00 15.00 O1- ATOM 0 H ASP A 234 4.623 8.863 -0.664 1.00 15.00 H new ATOM 0 HA ASP A 234 4.526 11.803 -0.792 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.529 9.697 -1.706 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.406 11.424 -1.978 1.00 15.00 H new ATOM 67 N GLY A 235 3.308 9.936 1.458 1.00 15.00 N ATOM 68 CA GLY A 235 2.446 9.799 2.611 1.00 15.00 C ATOM 69 C GLY A 235 1.240 8.949 2.286 1.00 15.00 C ATOM 70 O GLY A 235 0.101 9.405 2.377 1.00 15.00 O ATOM 0 H GLY A 235 4.027 9.217 1.375 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.002 9.349 3.434 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.122 10.784 2.946 1.00 15.00 H new ATOM 74 N TRP A 236 1.496 7.713 1.878 1.00 15.00 N ATOM 75 CA TRP A 236 0.437 6.815 1.458 1.00 15.00 C ATOM 76 C TRP A 236 0.540 5.463 2.148 1.00 15.00 C ATOM 77 O TRP A 236 1.626 4.937 2.310 1.00 15.00 O ATOM 78 CB TRP A 236 0.443 6.674 -0.049 1.00 15.00 C ATOM 79 CG TRP A 236 1.764 6.375 -0.717 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.878 7.179 -0.862 1.00 15.00 C ATOM 81 CD2 TRP A 236 2.079 5.170 -1.416 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.755 6.574 -1.696 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.321 5.339 -2.012 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.432 3.974 -1.618 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.916 4.361 -2.794 1.00 15.00 C ATOM 86 CZ3 TRP A 236 2.051 3.017 -2.399 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.267 3.210 -2.969 1.00 15.00 C ATOM 0 H TRP A 236 2.432 7.312 1.830 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.518 7.247 1.759 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.255 5.881 -0.315 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.053 7.598 -0.475 1.00 15.00 H new ATOM 0 HD1 TRP A 236 3.025 8.137 -0.386 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.620 6.993 -2.036 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.464 3.787 -1.177 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.881 4.528 -3.250 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.546 2.076 -2.563 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.711 2.428 -3.567 1.00 15.00 H new ATOM 98 N GLU A 237 -0.592 4.820 2.378 1.00 15.00 N ATOM 99 CA GLU A 237 -0.744 3.978 3.556 1.00 15.00 C ATOM 100 C GLU A 237 -0.314 2.552 3.340 1.00 15.00 C ATOM 101 O GLU A 237 -0.524 1.942 2.289 1.00 15.00 O ATOM 102 CB GLU A 237 -2.207 4.008 4.004 1.00 15.00 C ATOM 103 CG GLU A 237 -2.566 3.108 5.185 1.00 15.00 C ATOM 104 CD GLU A 237 -1.892 3.545 6.473 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.651 3.449 6.569 1.00 15.00 O1- ATOM 106 OE2 GLU A 237 -2.603 4.024 7.386 1.00 15.00 O ATOM 0 H GLU A 237 -1.412 4.862 1.773 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.086 4.385 4.324 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.465 5.035 4.264 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.831 3.727 3.156 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.647 3.111 5.325 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.277 2.082 4.957 1.00 15.00 H new ATOM 113 N GLN A 238 0.264 2.056 4.413 1.00 15.00 N ATOM 114 CA GLN A 238 0.801 0.718 4.503 1.00 15.00 C ATOM 115 C GLN A 238 -0.082 -0.085 5.434 1.00 15.00 C ATOM 116 O GLN A 238 -0.292 0.294 6.589 1.00 15.00 O ATOM 117 CB GLN A 238 2.253 0.762 5.006 1.00 15.00 C ATOM 118 CG GLN A 238 2.904 -0.598 5.236 1.00 15.00 C ATOM 119 CD GLN A 238 2.667 -1.152 6.633 1.00 15.00 C ATOM 120 OE1 GLN A 238 1.731 -1.915 6.869 1.00 15.00 O ATOM 121 NE2 GLN A 238 3.509 -0.757 7.574 1.00 15.00 N ATOM 0 H GLN A 238 0.376 2.592 5.274 1.00 15.00 H new ATOM 0 HA GLN A 238 0.813 0.245 3.521 1.00 15.00 H new ATOM 0 HB2 GLN A 238 2.853 1.317 4.285 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.280 1.322 5.941 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.519 -1.306 4.502 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.977 -0.513 5.064 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.274 -0.124 7.341 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.393 -1.086 8.533 1.00 15.00 H new ATOM 130 N ALA A 239 -0.608 -1.179 4.933 1.00 15.00 N ATOM 131 CA ALA A 239 -1.554 -1.960 5.694 1.00 15.00 C ATOM 132 C ALA A 239 -1.216 -3.438 5.662 1.00 15.00 C ATOM 133 O ALA A 239 -0.665 -3.940 4.682 1.00 15.00 O ATOM 134 CB ALA A 239 -2.946 -1.724 5.165 1.00 15.00 C ATOM 0 H ALA A 239 -0.398 -1.547 4.005 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.502 -1.639 6.734 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.659 -2.314 5.741 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -3.195 -0.667 5.254 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.992 -2.020 4.117 1.00 15.00 H new ATOM 140 N MET A 240 -1.571 -4.131 6.730 1.00 15.00 N ATOM 141 CA MET A 240 -1.267 -5.544 6.863 1.00 15.00 C ATOM 142 C MET A 240 -2.398 -6.384 6.288 1.00 15.00 C ATOM 143 O MET A 240 -3.488 -6.444 6.853 1.00 15.00 O ATOM 144 CB MET A 240 -1.061 -5.902 8.334 1.00 15.00 C ATOM 145 CG MET A 240 -0.010 -5.054 9.031 1.00 15.00 C ATOM 146 SD MET A 240 0.033 -5.338 10.813 1.00 15.00 S ATOM 147 CE MET A 240 -1.642 -4.884 11.261 1.00 15.00 C ATOM 0 H MET A 240 -2.074 -3.734 7.523 1.00 15.00 H new ATOM 0 HA MET A 240 -0.351 -5.754 6.311 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.009 -5.794 8.861 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.774 -6.951 8.406 1.00 15.00 H new ATOM 0 HG2 MET A 240 0.970 -5.274 8.607 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.211 -4.000 8.839 1.00 15.00 H new ATOM 0 HE1 MET A 240 -1.668 -4.575 12.306 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.977 -4.060 10.630 1.00 15.00 H new ATOM 0 HE3 MET A 240 -2.301 -5.740 11.119 1.00 15.00 H new ATOM 157 N THR A 241 -2.147 -7.001 5.147 1.00 15.00 N ATOM 158 CA THR A 241 -3.122 -7.890 4.541 1.00 15.00 C ATOM 159 C THR A 241 -2.798 -9.339 4.898 1.00 15.00 C ATOM 160 O THR A 241 -1.630 -9.685 5.112 1.00 15.00 O ATOM 161 CB THR A 241 -3.215 -7.710 3.007 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.280 -8.510 2.479 1.00 15.00 O ATOM 163 CG2 THR A 241 -1.915 -8.082 2.323 1.00 15.00 C ATOM 0 H THR A 241 -1.278 -6.903 4.622 1.00 15.00 H new ATOM 0 HA THR A 241 -4.100 -7.628 4.945 1.00 15.00 H new ATOM 0 HB THR A 241 -3.415 -6.657 2.811 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.331 -8.387 1.508 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.017 -7.943 1.247 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.112 -7.446 2.696 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.679 -9.125 2.533 1.00 15.00 H new ATOM 171 N GLN A 242 -3.837 -10.169 4.963 1.00 15.00 N ATOM 172 CA GLN A 242 -3.742 -11.546 5.463 1.00 15.00 C ATOM 173 C GLN A 242 -2.769 -12.383 4.647 1.00 15.00 C ATOM 174 O GLN A 242 -2.252 -13.401 5.114 1.00 15.00 O ATOM 175 CB GLN A 242 -5.110 -12.192 5.380 1.00 15.00 C ATOM 176 CG GLN A 242 -6.211 -11.337 5.975 1.00 15.00 C ATOM 177 CD GLN A 242 -7.576 -11.981 5.867 1.00 15.00 C ATOM 178 OE1 GLN A 242 -8.017 -12.694 6.769 1.00 15.00 O ATOM 179 NE2 GLN A 242 -8.248 -11.740 4.755 1.00 15.00 N ATOM 0 H GLN A 242 -4.778 -9.906 4.669 1.00 15.00 H new ATOM 0 HA GLN A 242 -3.381 -11.503 6.490 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.344 -12.399 4.336 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.084 -13.151 5.897 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -5.988 -11.143 7.024 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -6.229 -10.372 5.469 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -7.843 -11.143 4.034 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -9.171 -12.151 4.618 1.00 15.00 H new ATOM 188 N ASP A 243 -2.558 -11.957 3.418 1.00 15.00 N ATOM 189 CA ASP A 243 -1.570 -12.572 2.528 1.00 15.00 C ATOM 190 C ASP A 243 -0.168 -12.486 3.132 1.00 15.00 C ATOM 191 O ASP A 243 0.750 -13.200 2.734 1.00 15.00 O ATOM 192 CB ASP A 243 -1.573 -11.855 1.189 1.00 15.00 C ATOM 193 CG ASP A 243 -0.670 -12.520 0.165 1.00 15.00 C ATOM 194 OD1 ASP A 243 -0.967 -13.662 -0.244 1.00 15.00 O1- ATOM 195 OD2 ASP A 243 0.340 -11.909 -0.233 1.00 15.00 O ATOM 0 H ASP A 243 -3.062 -11.175 3.000 1.00 15.00 H new ATOM 0 HA ASP A 243 -1.836 -13.621 2.394 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -2.591 -11.822 0.802 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.253 -10.823 1.334 1.00 15.00 H new ATOM 200 N GLY A 244 -0.031 -11.609 4.109 1.00 15.00 N ATOM 201 CA GLY A 244 1.229 -11.427 4.802 1.00 15.00 C ATOM 202 C GLY A 244 2.077 -10.368 4.144 1.00 15.00 C ATOM 203 O GLY A 244 3.303 -10.459 4.122 1.00 15.00 O ATOM 0 H GLY A 244 -0.784 -11.007 4.442 1.00 15.00 H new ATOM 0 HA2 GLY A 244 1.038 -11.149 5.838 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.774 -12.371 4.821 1.00 15.00 H new ATOM 207 N GLU A 245 1.406 -9.347 3.632 1.00 15.00 N ATOM 208 CA GLU A 245 2.065 -8.242 2.956 1.00 15.00 C ATOM 209 C GLU A 245 1.655 -6.923 3.585 1.00 15.00 C ATOM 210 O GLU A 245 0.472 -6.693 3.850 1.00 15.00 O ATOM 211 CB GLU A 245 1.689 -8.221 1.472 1.00 15.00 C ATOM 212 CG GLU A 245 2.343 -9.318 0.646 1.00 15.00 C ATOM 213 CD GLU A 245 3.855 -9.241 0.638 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.403 -8.222 0.167 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.505 -10.209 1.085 1.00 15.00 O ATOM 0 H GLU A 245 0.390 -9.262 3.674 1.00 15.00 H new ATOM 0 HA GLU A 245 3.142 -8.378 3.056 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.606 -8.311 1.382 1.00 15.00 H new ATOM 0 HB3 GLU A 245 1.965 -7.253 1.053 1.00 15.00 H new ATOM 0 HG2 GLU A 245 2.038 -10.289 1.037 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.978 -9.258 -0.379 1.00 15.00 H new ATOM 222 N ILE A 246 2.628 -6.064 3.824 1.00 15.00 N ATOM 223 CA ILE A 246 2.341 -4.704 4.231 1.00 15.00 C ATOM 224 C ILE A 246 2.269 -3.833 2.980 1.00 15.00 C ATOM 225 O ILE A 246 3.284 -3.401 2.447 1.00 15.00 O ATOM 226 CB ILE A 246 3.388 -4.160 5.240 1.00 15.00 C ATOM 227 CG1 ILE A 246 4.806 -4.151 4.644 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.350 -4.982 6.523 1.00 15.00 C ATOM 229 CD1 ILE A 246 5.885 -3.741 5.627 1.00 15.00 C ATOM 0 H ILE A 246 3.621 -6.284 3.743 1.00 15.00 H new ATOM 0 HA ILE A 246 1.385 -4.683 4.753 1.00 15.00 H new ATOM 0 HB ILE A 246 3.128 -3.127 5.469 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.035 -5.146 4.263 1.00 15.00 H new ATOM 0 HG13 ILE A 246 4.827 -3.471 3.793 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.087 -4.594 7.226 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.357 -4.918 6.967 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.579 -6.023 6.295 1.00 15.00 H new ATOM 0 HD11 ILE A 246 6.855 -3.760 5.131 1.00 15.00 H new ATOM 0 HD12 ILE A 246 5.682 -2.733 5.990 1.00 15.00 H new ATOM 0 HD13 ILE A 246 5.894 -4.435 6.468 1.00 15.00 H new ATOM 241 N TYR A 247 1.059 -3.572 2.512 1.00 15.00 N ATOM 242 CA TYR A 247 0.883 -3.015 1.182 1.00 15.00 C ATOM 243 C TYR A 247 0.902 -1.494 1.230 1.00 15.00 C ATOM 244 O TYR A 247 0.514 -0.888 2.221 1.00 15.00 O ATOM 245 CB TYR A 247 -0.427 -3.534 0.528 1.00 15.00 C ATOM 246 CG TYR A 247 -1.711 -2.860 1.003 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.907 -1.495 0.826 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.724 -3.586 1.618 1.00 15.00 C ATOM 249 CE1 TYR A 247 -3.044 -0.870 1.247 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.889 -2.962 2.052 1.00 15.00 C ATOM 251 CZ TYR A 247 -4.037 -1.596 1.864 1.00 15.00 C ATOM 252 OH TYR A 247 -5.190 -0.965 2.271 1.00 15.00 O ATOM 0 H TYR A 247 0.194 -3.735 3.027 1.00 15.00 H new ATOM 0 HA TYR A 247 1.717 -3.346 0.564 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.349 -3.407 -0.552 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.508 -4.604 0.718 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.137 -0.913 0.341 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.605 -4.650 1.761 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.165 0.193 1.096 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.670 -3.535 2.530 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.899 -1.123 1.613 1.00 15.00 H new ATOM 262 N TYR A 248 1.357 -0.908 0.146 1.00 15.00 N ATOM 263 CA TYR A 248 1.363 0.528 -0.051 1.00 15.00 C ATOM 264 C TYR A 248 0.390 0.908 -1.162 1.00 15.00 C ATOM 265 O TYR A 248 0.569 0.518 -2.315 1.00 15.00 O ATOM 266 CB TYR A 248 2.782 0.969 -0.346 1.00 15.00 C ATOM 267 CG TYR A 248 3.599 1.156 0.907 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.186 0.067 1.546 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.814 2.427 1.441 1.00 15.00 C ATOM 270 CE1 TYR A 248 4.951 0.239 2.679 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.584 2.597 2.559 1.00 15.00 C ATOM 272 CZ TYR A 248 5.152 1.503 3.180 1.00 15.00 C ATOM 273 OH TYR A 248 5.928 1.674 4.305 1.00 15.00 O ATOM 0 H TYR A 248 1.743 -1.427 -0.643 1.00 15.00 H new ATOM 0 HA TYR A 248 1.026 1.043 0.849 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.264 0.228 -0.984 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.760 1.905 -0.905 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.040 -0.926 1.148 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.367 3.288 0.966 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.391 -0.616 3.171 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.748 3.588 2.956 1.00 15.00 H new ATOM 0 HH TYR A 248 6.597 2.370 4.138 1.00 15.00 H new ATOM 283 N ILE A 249 -0.664 1.647 -0.814 1.00 15.00 N ATOM 284 CA ILE A 249 -1.571 2.185 -1.826 1.00 15.00 C ATOM 285 C ILE A 249 -1.654 3.697 -1.730 1.00 15.00 C ATOM 286 O ILE A 249 -1.761 4.270 -0.641 1.00 15.00 O ATOM 287 CB ILE A 249 -2.998 1.602 -1.766 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.669 1.882 -0.423 1.00 15.00 C ATOM 289 CG2 ILE A 249 -2.980 0.119 -2.055 1.00 15.00 C ATOM 290 CD1 ILE A 249 -5.024 1.223 -0.295 1.00 15.00 C ATOM 0 H ILE A 249 -0.908 1.884 0.148 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.139 1.884 -2.781 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.588 2.100 -2.536 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -3.022 1.531 0.381 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.780 2.959 -0.295 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.996 -0.273 -2.008 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.571 -0.053 -3.050 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.361 -0.388 -1.315 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.452 1.457 0.680 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.684 1.593 -1.080 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.914 0.143 -0.393 1.00 15.00 H new ATOM 302 N ASN A 250 -1.589 4.339 -2.878 1.00 15.00 N ATOM 303 CA ASN A 250 -1.589 5.788 -2.947 1.00 15.00 C ATOM 304 C ASN A 250 -2.757 6.249 -3.795 1.00 15.00 C ATOM 305 O ASN A 250 -2.964 5.730 -4.896 1.00 15.00 O ATOM 306 CB ASN A 250 -0.279 6.282 -3.570 1.00 15.00 C ATOM 307 CG ASN A 250 -0.023 7.763 -3.343 1.00 15.00 C ATOM 308 OD1 ASN A 250 -0.934 8.523 -3.039 1.00 15.00 O ATOM 309 ND2 ASN A 250 1.218 8.188 -3.528 1.00 15.00 N ATOM 0 H ASN A 250 -1.535 3.876 -3.785 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.681 6.196 -1.940 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.551 5.710 -3.155 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.298 6.084 -4.642 1.00 15.00 H new ATOM 0 HD21 ASN A 250 1.440 9.177 -3.418 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.952 7.526 -3.781 1.00 15.00 H new ATOM 316 N HIS A 251 -3.505 7.225 -3.296 1.00 15.00 N ATOM 317 CA HIS A 251 -4.601 7.815 -4.057 1.00 15.00 C ATOM 318 C HIS A 251 -4.056 8.822 -5.059 1.00 15.00 C ATOM 319 O HIS A 251 -4.730 9.204 -6.013 1.00 15.00 O ATOM 320 CB HIS A 251 -5.626 8.475 -3.131 1.00 15.00 C ATOM 321 CG HIS A 251 -6.569 7.499 -2.487 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.181 6.582 -1.534 1.00 15.00 N ATOM 323 CD2 HIS A 251 -7.893 7.294 -2.680 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.223 5.857 -1.174 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.278 6.268 -1.852 1.00 15.00 N ATOM 0 H HIS A 251 -3.373 7.626 -2.367 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.110 7.018 -4.599 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.098 9.026 -2.352 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.203 9.203 -3.701 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.531 7.838 -3.361 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -7.214 5.060 -0.446 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -9.221 5.888 -1.774 1.00 15.00 H new ATOM 334 N LYS A 252 -2.823 9.250 -4.825 1.00 15.00 N ATOM 335 CA LYS A 252 -2.108 10.098 -5.767 1.00 15.00 C ATOM 336 C LYS A 252 -1.458 9.233 -6.845 1.00 15.00 C ATOM 337 O LYS A 252 -1.166 9.700 -7.945 1.00 15.00 O ATOM 338 CB LYS A 252 -1.061 10.944 -5.023 1.00 15.00 C ATOM 339 CG LYS A 252 -0.109 11.721 -5.921 1.00 15.00 C ATOM 340 CD LYS A 252 0.801 12.625 -5.102 1.00 15.00 C ATOM 341 CE LYS A 252 1.940 13.189 -5.939 1.00 15.00 C ATOM 342 NZ LYS A 252 2.932 12.144 -6.307 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.294 9.021 -3.983 1.00 15.00 H new ATOM 0 HA LYS A 252 -2.808 10.779 -6.251 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -1.580 11.648 -4.373 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.476 10.287 -4.379 1.00 15.00 H new ATOM 0 HG2 LYS A 252 0.494 11.026 -6.505 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -0.680 12.321 -6.630 1.00 15.00 H new ATOM 0 HD2 LYS A 252 0.217 13.445 -4.683 1.00 15.00 H new ATOM 0 HD3 LYS A 252 1.211 12.064 -4.262 1.00 15.00 H new ATOM 0 HE2 LYS A 252 1.535 13.640 -6.845 1.00 15.00 H new ATOM 0 HE3 LYS A 252 2.439 13.983 -5.384 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 3.797 12.597 -6.664 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 3.161 11.572 -5.469 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 2.532 11.531 -7.046 1.00 15.00 H new ATOM 356 N ASN A 253 -1.241 7.960 -6.522 1.00 15.00 N ATOM 357 CA ASN A 253 -0.663 7.017 -7.474 1.00 15.00 C ATOM 358 C ASN A 253 -1.747 6.199 -8.156 1.00 15.00 C ATOM 359 O ASN A 253 -1.521 5.630 -9.222 1.00 15.00 O ATOM 360 CB ASN A 253 0.355 6.080 -6.801 1.00 15.00 C ATOM 361 CG ASN A 253 1.717 6.726 -6.654 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.076 7.617 -7.418 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.495 6.265 -5.689 1.00 15.00 N ATOM 0 H ASN A 253 -1.457 7.559 -5.609 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.137 7.605 -8.226 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.016 5.790 -5.818 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.449 5.167 -7.388 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.430 6.651 -5.559 1.00 15.00 H new ATOM 0 HD22 ASN A 253 2.160 5.523 -5.074 1.00 15.00 H new ATOM 370 N LYS A 254 -2.915 6.129 -7.517 1.00 15.00 N ATOM 371 CA LYS A 254 -4.057 5.379 -8.041 1.00 15.00 C ATOM 372 C LYS A 254 -3.691 3.901 -8.204 1.00 15.00 C ATOM 373 O LYS A 254 -4.258 3.188 -9.029 1.00 15.00 O ATOM 374 CB LYS A 254 -4.518 5.993 -9.377 1.00 15.00 C ATOM 375 CG LYS A 254 -5.786 5.374 -9.954 1.00 15.00 C ATOM 376 CD LYS A 254 -6.299 6.159 -11.147 1.00 15.00 C ATOM 377 CE LYS A 254 -6.964 7.454 -10.714 1.00 15.00 C ATOM 378 NZ LYS A 254 -8.224 7.202 -9.967 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.096 6.589 -6.625 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.884 5.441 -7.334 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.683 7.061 -9.234 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.714 5.890 -10.106 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.585 4.345 -10.254 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.556 5.337 -9.184 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.472 6.381 -11.821 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -7.011 5.551 -11.705 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -6.278 8.024 -10.088 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -7.177 8.065 -11.591 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -8.814 8.059 -9.982 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -8.741 6.418 -10.413 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -8.000 6.953 -8.982 1.00 15.00 H new ATOM 392 N THR A 255 -2.783 3.418 -7.369 1.00 15.00 N ATOM 393 CA THR A 255 -2.307 2.050 -7.516 1.00 15.00 C ATOM 394 C THR A 255 -1.906 1.403 -6.233 1.00 15.00 C ATOM 395 O THR A 255 -1.509 2.043 -5.253 1.00 15.00 O ATOM 396 CB THR A 255 -1.173 1.836 -8.528 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.688 0.488 -8.472 1.00 15.00 O ATOM 398 CG2 THR A 255 -0.015 2.796 -8.304 1.00 15.00 C ATOM 0 H THR A 255 -2.368 3.940 -6.597 1.00 15.00 H new ATOM 0 HA THR A 255 -3.201 1.569 -7.912 1.00 15.00 H new ATOM 0 HB THR A 255 -1.594 2.034 -9.514 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.033 0.372 -9.126 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.763 2.607 -9.044 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.369 3.822 -8.404 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.392 2.648 -7.304 1.00 15.00 H new ATOM 406 N THR A 256 -2.070 0.119 -6.284 1.00 15.00 N ATOM 407 CA THR A 256 -1.769 -0.761 -5.179 1.00 15.00 C ATOM 408 C THR A 256 -0.430 -1.461 -5.407 1.00 15.00 C ATOM 409 O THR A 256 -0.281 -2.274 -6.325 1.00 15.00 O ATOM 410 CB THR A 256 -2.869 -1.813 -4.990 1.00 15.00 C ATOM 411 OG1 THR A 256 -4.132 -1.166 -4.794 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.549 -2.708 -3.801 1.00 15.00 C ATOM 0 H THR A 256 -2.424 -0.366 -7.109 1.00 15.00 H new ATOM 0 HA THR A 256 -1.713 -0.151 -4.277 1.00 15.00 H new ATOM 0 HB THR A 256 -2.921 -2.432 -5.885 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.763 -1.796 -4.388 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.339 -3.449 -3.680 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.599 -3.215 -3.972 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.479 -2.102 -2.898 1.00 15.00 H new ATOM 420 N SER A 257 0.534 -1.131 -4.570 1.00 15.00 N ATOM 421 CA SER A 257 1.869 -1.691 -4.655 1.00 15.00 C ATOM 422 C SER A 257 2.161 -2.493 -3.384 1.00 15.00 C ATOM 423 O SER A 257 1.628 -2.182 -2.324 1.00 15.00 O ATOM 424 CB SER A 257 2.880 -0.556 -4.845 1.00 15.00 C ATOM 425 OG SER A 257 4.192 -1.060 -5.030 1.00 15.00 O ATOM 0 H SER A 257 0.413 -0.464 -3.808 1.00 15.00 H new ATOM 0 HA SER A 257 1.947 -2.364 -5.509 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.595 0.047 -5.707 1.00 15.00 H new ATOM 0 HB3 SER A 257 2.860 0.101 -3.976 1.00 15.00 H new ATOM 0 HG SER A 257 4.815 -0.313 -5.150 1.00 15.00 H new ATOM 431 N TRP A 258 2.989 -3.528 -3.489 1.00 15.00 N ATOM 432 CA TRP A 258 3.225 -4.426 -2.360 1.00 15.00 C ATOM 433 C TRP A 258 4.058 -3.781 -1.253 1.00 15.00 C ATOM 434 O TRP A 258 3.545 -3.452 -0.195 1.00 15.00 O ATOM 435 CB TRP A 258 3.956 -5.688 -2.815 1.00 15.00 C ATOM 436 CG TRP A 258 3.127 -6.663 -3.588 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.342 -7.077 -4.865 1.00 15.00 C ATOM 438 CD2 TRP A 258 1.960 -7.351 -3.136 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.403 -8.005 -5.228 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.539 -8.187 -4.189 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.232 -7.352 -1.946 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.431 -9.013 -4.084 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.120 -8.163 -1.852 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.264 -8.986 -2.919 1.00 15.00 C ATOM 0 H TRP A 258 3.505 -3.766 -4.336 1.00 15.00 H new ATOM 0 HA TRP A 258 2.238 -4.667 -1.964 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.807 -5.394 -3.429 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.356 -6.193 -1.936 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.140 -6.724 -5.502 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.357 -8.482 -6.128 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.533 -6.731 -1.115 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.132 -9.655 -4.900 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.463 -8.164 -0.943 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.135 -9.615 -2.811 1.00 15.00 H new ATOM 455 N LEU A 259 5.332 -3.565 -1.535 1.00 15.00 N ATOM 456 CA LEU A 259 6.329 -3.332 -0.496 1.00 15.00 C ATOM 457 C LEU A 259 6.799 -1.882 -0.392 1.00 15.00 C ATOM 458 O LEU A 259 6.630 -1.096 -1.326 1.00 15.00 O ATOM 459 CB LEU A 259 7.518 -4.264 -0.632 1.00 15.00 C ATOM 460 CG LEU A 259 7.461 -5.477 0.294 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.818 -6.147 0.348 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.003 -5.065 1.692 1.00 15.00 C ATOM 0 H LEU A 259 5.706 -3.546 -2.484 1.00 15.00 H new ATOM 0 HA LEU A 259 5.810 -3.554 0.437 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.581 -4.609 -1.664 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.431 -3.705 -0.427 1.00 15.00 H new ATOM 0 HG LEU A 259 6.736 -6.189 -0.100 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.771 -7.012 1.010 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.104 -6.471 -0.653 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.558 -5.441 0.725 1.00 15.00 H new ATOM 0 HD21 LEU A 259 6.969 -5.943 2.337 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.703 -4.338 2.105 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.010 -4.619 1.633 1.00 15.00 H new ATOM 474 N ASP A 260 7.400 -1.542 0.763 1.00 15.00 N ATOM 475 CA ASP A 260 7.650 -0.168 1.152 1.00 15.00 C ATOM 476 C ASP A 260 8.525 0.557 0.138 1.00 15.00 C ATOM 477 O ASP A 260 9.675 0.199 -0.116 1.00 15.00 O ATOM 478 CB ASP A 260 8.286 -0.122 2.553 1.00 15.00 C ATOM 479 CG ASP A 260 9.589 -0.900 2.684 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.674 -2.038 2.176 1.00 15.00 O1- ATOM 481 OD2 ASP A 260 10.526 -0.378 3.331 1.00 15.00 O ATOM 0 H ASP A 260 7.722 -2.227 1.447 1.00 15.00 H new ATOM 0 HA ASP A 260 6.692 0.351 1.180 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.471 0.919 2.820 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.570 -0.514 3.276 1.00 15.00 H new ATOM 486 N PRO A 261 7.954 1.631 -0.428 1.00 15.00 N ATOM 487 CA PRO A 261 8.481 2.341 -1.577 1.00 15.00 C ATOM 488 C PRO A 261 9.515 3.323 -1.239 1.00 15.00 C ATOM 489 O PRO A 261 10.184 3.984 -2.032 1.00 15.00 O ATOM 490 CB PRO A 261 7.237 2.912 -2.238 1.00 15.00 C ATOM 491 CG PRO A 261 6.394 3.276 -1.057 1.00 15.00 C ATOM 492 CD PRO A 261 6.692 2.242 0.007 1.00 15.00 C ATOM 0 HA PRO A 261 9.034 1.696 -2.260 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.466 3.779 -2.858 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.745 2.182 -2.880 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.632 4.279 -0.703 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.336 3.273 -1.318 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.790 2.700 0.991 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.895 1.502 0.078 1.00 15.00 H new ATOM 500 N ARG A 262 9.521 3.369 -0.036 1.00 15.00 N ATOM 501 CA ARG A 262 10.302 4.312 0.755 1.00 15.00 C ATOM 502 C ARG A 262 11.701 3.761 1.015 1.00 15.00 C ATOM 503 O ARG A 262 12.582 4.467 1.507 1.00 15.00 O ATOM 504 CB ARG A 262 9.591 4.703 2.065 1.00 15.00 C ATOM 505 CG ARG A 262 8.991 3.555 2.871 1.00 15.00 C ATOM 506 CD ARG A 262 10.046 2.611 3.426 1.00 15.00 C ATOM 507 NE ARG A 262 11.098 3.307 4.161 1.00 15.00 N ATOM 508 CZ ARG A 262 12.170 2.698 4.663 1.00 15.00 C ATOM 509 NH1 ARG A 262 12.309 1.381 4.545 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 13.106 3.410 5.274 1.00 15.00 N ATOM 0 H ARG A 262 8.965 2.734 0.537 1.00 15.00 H new ATOM 0 HA ARG A 262 10.400 5.229 0.174 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.304 5.231 2.698 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.794 5.408 1.826 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.405 3.963 3.695 1.00 15.00 H new ATOM 0 HG3 ARG A 262 8.304 2.993 2.238 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.568 1.886 4.085 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.493 2.050 2.605 1.00 15.00 H new ATOM 0 HE ARG A 262 11.007 4.314 4.297 1.00 15.00 H new ATOM 0 HH11 ARG A 262 11.593 0.833 4.068 1.00 15.00 H new ATOM 0 HH12 ARG A 262 13.132 0.918 4.931 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.004 4.421 5.358 1.00 15.00 H new ATOM 0 HH22 ARG A 262 13.929 2.947 5.660 1.00 15.00 H new ATOM 524 N LEU A 263 11.891 2.494 0.680 1.00 15.00 N ATOM 525 CA LEU A 263 13.189 1.860 0.794 1.00 15.00 C ATOM 526 C LEU A 263 13.893 1.959 -0.553 1.00 15.00 C ATOM 527 O LEU A 263 14.656 2.927 -0.753 1.00 15.00 O ATOM 528 CB LEU A 263 13.026 0.393 1.227 1.00 15.00 C ATOM 529 CG LEU A 263 14.258 -0.263 1.871 1.00 15.00 C ATOM 530 CD1 LEU A 263 13.877 -1.589 2.504 1.00 15.00 C ATOM 531 CD2 LEU A 263 15.368 -0.484 0.855 1.00 15.00 C ATOM 532 OXT LEU A 263 13.642 1.095 -1.418 1.00 15.00 O ATOM 0 H LEU A 263 11.155 1.884 0.325 1.00 15.00 H new ATOM 0 HA LEU A 263 13.789 2.362 1.553 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.197 0.334 1.933 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.743 -0.193 0.353 1.00 15.00 H new ATOM 0 HG LEU A 263 14.628 0.416 2.639 1.00 15.00 H new ATOM 0 HD11 LEU A 263 14.759 -2.043 2.956 1.00 15.00 H new ATOM 0 HD12 LEU A 263 13.121 -1.422 3.271 1.00 15.00 H new ATOM 0 HD13 LEU A 263 13.478 -2.256 1.740 1.00 15.00 H new ATOM 0 HD21 LEU A 263 16.223 -0.949 1.346 1.00 15.00 H new ATOM 0 HD22 LEU A 263 15.008 -1.135 0.059 1.00 15.00 H new ATOM 0 HD23 LEU A 263 15.670 0.474 0.432 1.00 15.00 H new ATOM 545 N THR B 222 2.506 -11.002 -8.159 1.00 15.00 N ATOM 546 CA THR B 222 1.068 -11.262 -7.956 1.00 15.00 C ATOM 547 C THR B 222 0.309 -9.952 -7.760 1.00 15.00 C ATOM 548 O THR B 222 0.918 -8.921 -7.459 1.00 15.00 O ATOM 549 CB THR B 222 0.846 -12.169 -6.731 1.00 15.00 C ATOM 550 OG1 THR B 222 1.625 -11.696 -5.624 1.00 15.00 O ATOM 551 CG2 THR B 222 1.220 -13.607 -7.049 1.00 15.00 C ATOM 0 HA THR B 222 0.691 -11.766 -8.846 1.00 15.00 H new ATOM 0 HB THR B 222 -0.211 -12.138 -6.468 1.00 15.00 H new ATOM 0 HG1 THR B 222 2.444 -11.273 -5.957 1.00 15.00 H new ATOM 0 HG21 THR B 222 1.055 -14.229 -6.169 1.00 15.00 H new ATOM 0 HG22 THR B 222 0.603 -13.970 -7.871 1.00 15.00 H new ATOM 0 HG23 THR B 222 2.271 -13.655 -7.335 1.00 15.00 H new ATOM 561 N PRO B 223 -1.024 -9.950 -7.953 1.00 15.00 N ATOM 562 CA PRO B 223 -1.848 -8.774 -7.694 1.00 15.00 C ATOM 563 C PRO B 223 -2.177 -8.632 -6.201 1.00 15.00 C ATOM 564 O PRO B 223 -2.577 -9.615 -5.573 1.00 15.00 O ATOM 565 CB PRO B 223 -3.142 -9.046 -8.482 1.00 15.00 C ATOM 566 CG PRO B 223 -2.957 -10.364 -9.162 1.00 15.00 C ATOM 567 CD PRO B 223 -1.840 -11.067 -8.449 1.00 15.00 C ATOM 0 HA PRO B 223 -1.341 -7.854 -7.986 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -4.004 -9.071 -7.815 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -3.326 -8.256 -9.210 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.873 -10.953 -9.120 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -2.716 -10.225 -10.216 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.208 -11.693 -7.636 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.276 -11.715 -9.119 1.00 15.00 H new ATOM 575 N PRO B 224 -2.033 -7.433 -5.589 1.00 15.00 N ATOM 576 CA PRO B 224 -2.506 -7.189 -4.236 1.00 15.00 C ATOM 577 C PRO B 224 -3.961 -6.722 -4.296 1.00 15.00 C ATOM 578 O PRO B 224 -4.530 -6.658 -5.393 1.00 15.00 O ATOM 579 CB PRO B 224 -1.554 -6.080 -3.719 1.00 15.00 C ATOM 580 CG PRO B 224 -0.843 -5.549 -4.925 1.00 15.00 C ATOM 581 CD PRO B 224 -1.475 -6.189 -6.129 1.00 15.00 C ATOM 0 HA PRO B 224 -2.494 -8.063 -3.584 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -2.112 -5.290 -3.216 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.846 -6.481 -2.994 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.929 -4.464 -4.976 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.221 -5.782 -4.879 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.248 -5.555 -6.563 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.743 -6.382 -6.914 1.00 15.00 H new ATOM 589 N PRO B 225 -4.606 -6.430 -3.154 1.00 15.00 N ATOM 590 CA PRO B 225 -5.962 -5.868 -3.154 1.00 15.00 C ATOM 591 C PRO B 225 -6.066 -4.682 -4.113 1.00 15.00 C ATOM 592 O PRO B 225 -5.108 -3.936 -4.279 1.00 15.00 O ATOM 593 CB PRO B 225 -6.134 -5.407 -1.706 1.00 15.00 C ATOM 594 CG PRO B 225 -5.288 -6.343 -0.916 1.00 15.00 C ATOM 595 CD PRO B 225 -4.100 -6.658 -1.786 1.00 15.00 C ATOM 0 HA PRO B 225 -6.722 -6.578 -3.481 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.811 -4.374 -1.577 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -7.178 -5.456 -1.395 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.975 -5.888 0.024 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.839 -7.249 -0.663 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.253 -6.011 -1.558 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.763 -7.685 -1.649 1.00 15.00 H new ATOM 603 N ALA B 226 -7.223 -4.517 -4.746 1.00 15.00 N ATOM 604 CA ALA B 226 -7.403 -3.491 -5.775 1.00 15.00 C ATOM 605 C ALA B 226 -7.138 -2.087 -5.233 1.00 15.00 C ATOM 606 O ALA B 226 -6.846 -1.909 -4.052 1.00 15.00 O ATOM 607 CB ALA B 226 -8.807 -3.572 -6.358 1.00 15.00 C ATOM 0 H ALA B 226 -8.054 -5.081 -4.566 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.673 -3.683 -6.561 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.929 -2.804 -7.122 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.960 -4.555 -6.804 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.539 -3.415 -5.566 1.00 15.00 H new ATOM 613 N TYR B 227 -7.240 -1.085 -6.097 1.00 15.00 N ATOM 614 CA TYR B 227 -7.052 0.287 -5.661 1.00 15.00 C ATOM 615 C TYR B 227 -8.233 0.691 -4.780 1.00 15.00 C ATOM 616 O TYR B 227 -9.396 0.689 -5.196 1.00 15.00 O ATOM 617 CB TYR B 227 -6.837 1.220 -6.861 1.00 15.00 C ATOM 618 CG TYR B 227 -6.855 2.686 -6.512 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.106 3.178 -5.452 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.614 3.578 -7.249 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.118 4.520 -5.136 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.631 4.920 -6.943 1.00 15.00 C ATOM 623 CZ TYR B 227 -6.885 5.388 -5.888 1.00 15.00 C ATOM 624 OH TYR B 227 -6.908 6.726 -5.590 1.00 15.00 O ATOM 0 H TYR B 227 -7.449 -1.196 -7.089 1.00 15.00 H new ATOM 0 HA TYR B 227 -6.146 0.374 -5.061 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.881 0.980 -7.327 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.611 1.025 -7.603 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.505 2.499 -4.866 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -8.203 3.215 -8.078 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.532 4.889 -4.307 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.228 5.602 -7.530 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.498 7.191 -6.219 1.00 15.00 H new ATOM 634 N LEU B 228 -7.878 1.049 -3.564 1.00 15.00 N ATOM 635 CA LEU B 228 -8.739 0.948 -2.401 1.00 15.00 C ATOM 636 C LEU B 228 -8.394 2.040 -1.399 1.00 15.00 C ATOM 637 O LEU B 228 -7.274 2.536 -1.412 1.00 15.00 O ATOM 638 CB LEU B 228 -8.604 -0.426 -1.730 1.00 15.00 C ATOM 639 CG LEU B 228 -9.330 -1.578 -2.430 1.00 15.00 C ATOM 640 CD1 LEU B 228 -9.085 -2.886 -1.695 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.823 -1.295 -2.521 1.00 15.00 C ATOM 0 H LEU B 228 -6.956 1.429 -3.350 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.770 1.070 -2.734 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.545 -0.675 -1.663 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.979 -0.350 -0.709 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.933 -1.667 -3.441 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.608 -3.694 -2.206 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -8.016 -3.099 -1.678 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.455 -2.804 -0.673 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -11.321 -2.125 -3.022 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -11.233 -1.178 -1.518 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.986 -0.379 -3.089 1.00 15.00 H new ATOM 653 N PRO B 229 -9.335 2.502 -0.565 1.00 15.00 N ATOM 654 CA PRO B 229 -8.963 3.354 0.547 1.00 15.00 C ATOM 655 C PRO B 229 -8.624 2.445 1.728 1.00 15.00 C ATOM 656 O PRO B 229 -9.196 1.360 1.875 1.00 15.00 O ATOM 657 CB PRO B 229 -10.234 4.172 0.831 1.00 15.00 C ATOM 658 CG PRO B 229 -11.304 3.619 -0.062 1.00 15.00 C ATOM 659 CD PRO B 229 -10.791 2.323 -0.636 1.00 15.00 C ATOM 0 HA PRO B 229 -8.106 4.001 0.358 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.522 4.090 1.879 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.068 5.230 0.628 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.223 3.452 0.499 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.540 4.324 -0.859 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -11.123 1.462 -0.056 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -11.132 2.169 -1.660 1.00 15.00 H new ATOM 667 N PRO B 230 -7.720 2.882 2.609 1.00 15.00 N ATOM 668 CA PRO B 230 -6.768 1.988 3.260 1.00 15.00 C ATOM 669 C PRO B 230 -7.254 1.361 4.555 1.00 15.00 C ATOM 670 O PRO B 230 -8.026 1.946 5.319 1.00 15.00 O ATOM 671 CB PRO B 230 -5.579 2.916 3.546 1.00 15.00 C ATOM 672 CG PRO B 230 -6.038 4.318 3.256 1.00 15.00 C ATOM 673 CD PRO B 230 -7.522 4.264 3.029 1.00 15.00 C ATOM 0 HA PRO B 230 -6.556 1.127 2.626 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.257 2.822 4.583 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.725 2.653 2.922 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.800 4.980 4.089 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.529 4.715 2.378 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.081 4.498 3.935 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -7.843 4.972 2.265 1.00 15.00 H new ATOM 681 N GLU B 231 -6.731 0.165 4.795 1.00 15.00 N ATOM 682 CA GLU B 231 -7.250 -0.749 5.804 1.00 15.00 C ATOM 683 C GLU B 231 -6.308 -0.872 6.986 1.00 15.00 C ATOM 684 O GLU B 231 -5.099 -0.714 6.859 1.00 15.00 O ATOM 685 CB GLU B 231 -7.539 -2.131 5.208 1.00 15.00 C ATOM 686 CG GLU B 231 -6.479 -2.660 4.286 1.00 15.00 C ATOM 687 CD GLU B 231 -7.068 -3.439 3.131 1.00 15.00 C ATOM 688 OE1 GLU B 231 -7.337 -4.650 3.297 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -7.273 -2.841 2.057 1.00 15.00 O ATOM 0 H GLU B 231 -5.925 -0.202 4.288 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.188 -0.326 6.163 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.676 -2.840 6.024 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.482 -2.085 4.664 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.888 -1.830 3.899 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.799 -3.302 4.846 1.00 15.00 H new ATOM 696 N ASP B 232 -6.881 -1.137 8.139 1.00 15.00 N ATOM 697 CA ASP B 232 -6.120 -1.160 9.386 1.00 15.00 C ATOM 698 C ASP B 232 -6.186 -2.529 10.078 1.00 15.00 C ATOM 699 O ASP B 232 -5.146 -3.107 10.394 1.00 15.00 O ATOM 700 CB ASP B 232 -6.600 -0.058 10.339 1.00 15.00 C ATOM 701 CG ASP B 232 -5.827 -0.041 11.642 1.00 15.00 C ATOM 702 OD1 ASP B 232 -6.243 -0.729 12.596 1.00 15.00 O ATOM 703 OD2 ASP B 232 -4.805 0.674 11.724 1.00 15.00 O1- ATOM 0 H ASP B 232 -7.874 -1.341 8.248 1.00 15.00 H new ATOM 0 HA ASP B 232 -5.078 -0.973 9.126 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -6.501 0.910 9.849 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -7.660 -0.201 10.551 1.00 15.00 H new ATOM 708 N PRO B 233 -7.399 -3.064 10.349 1.00 15.00 N ATOM 709 CA PRO B 233 -7.556 -4.346 11.043 1.00 15.00 C ATOM 710 C PRO B 233 -7.177 -5.530 10.162 1.00 15.00 C ATOM 711 O PRO B 233 -6.123 -6.153 10.422 1.00 15.00 O ATOM 712 CB PRO B 233 -9.051 -4.402 11.398 1.00 15.00 C ATOM 713 CG PRO B 233 -9.585 -3.041 11.106 1.00 15.00 C ATOM 714 CD PRO B 233 -8.709 -2.483 10.027 1.00 15.00 C ATOM 715 OXT PRO B 233 -7.935 -5.832 9.217 1.00 15.00 O ATOM 0 HA PRO B 233 -6.902 -4.411 11.913 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -9.566 -5.160 10.807 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -9.195 -4.663 12.446 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -10.624 -3.090 10.780 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -9.559 -2.411 11.995 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -9.050 -2.777 9.034 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -8.686 -1.393 10.046 1.00 15.00 H new