USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=10 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= -1.04 K(o=-1.1,f=0.94) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -0.059 USER MOD Set 2.1: A 250 ASN : amide:sc= -7.01! C(o=-5.8!,f=-13!) USER MOD Set 2.2: A 253 ASN : amide:sc= 1.17 K(o=-5.8,f=-8.1) USER MOD Single : A 238 GLN : amide:sc= -3.8! C(o=-3.8!,f=-7.9!) USER MOD Single : A 240 MET CE :methyl -141:sc= -0.314 (180deg=-1.06) USER MOD Single : A 241 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 242 GLN : amide:sc= -1.63! C(o=-1.6!,f=-4.9!) USER MOD Single : A 247 TYR OH : rot 118:sc= -3.01! USER MOD Single : A 248 TYR OH : rot 1:sc= -0.533 USER MOD Single : A 252 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.12) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot -172:sc= -1.72! USER MOD Single : A 256 THR OG1 : rot 90:sc= -0.879 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -19:sc= 0.358 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 8.064 6.255 6.828 1.00 15.00 N ATOM 9 CA PRO A 231 7.840 7.490 6.108 1.00 15.00 C ATOM 10 C PRO A 231 7.490 7.218 4.651 1.00 15.00 C ATOM 11 O PRO A 231 8.319 6.703 3.897 1.00 15.00 O ATOM 12 CB PRO A 231 9.234 8.133 6.210 1.00 15.00 C ATOM 13 CG PRO A 231 10.190 6.980 6.459 1.00 15.00 C ATOM 14 CD PRO A 231 9.356 5.721 6.418 1.00 15.00 C ATOM 0 HA PRO A 231 7.021 8.096 6.495 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.490 8.665 5.294 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.274 8.859 7.022 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.972 6.953 5.701 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.685 7.087 7.424 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.325 5.275 5.424 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.725 4.955 7.100 1.00 15.00 H new ATOM 22 N LEU A 232 6.272 7.510 4.232 1.00 15.00 N ATOM 23 CA LEU A 232 5.912 7.135 2.878 1.00 15.00 C ATOM 24 C LEU A 232 6.335 8.213 1.911 1.00 15.00 C ATOM 25 O LEU A 232 6.515 9.363 2.300 1.00 15.00 O ATOM 26 CB LEU A 232 4.423 6.811 2.667 1.00 15.00 C ATOM 27 CG LEU A 232 3.832 5.692 3.539 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.891 4.965 4.361 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.749 6.223 4.452 1.00 15.00 C ATOM 0 H LEU A 232 5.549 7.981 4.776 1.00 15.00 H new ATOM 0 HA LEU A 232 6.448 6.205 2.688 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.848 7.720 2.844 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.278 6.540 1.621 1.00 15.00 H new ATOM 0 HG LEU A 232 3.396 4.969 2.849 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.417 4.186 4.957 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.625 4.515 3.692 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.389 5.675 5.021 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.350 5.408 5.056 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.167 6.988 5.106 1.00 15.00 H new ATOM 0 HD23 LEU A 232 1.948 6.656 3.853 1.00 15.00 H new ATOM 41 N PRO A 233 6.455 7.865 0.629 1.00 15.00 N ATOM 42 CA PRO A 233 6.962 8.788 -0.383 1.00 15.00 C ATOM 43 C PRO A 233 6.085 10.032 -0.502 1.00 15.00 C ATOM 44 O PRO A 233 6.548 11.161 -0.330 1.00 15.00 O ATOM 45 CB PRO A 233 6.886 7.967 -1.663 1.00 15.00 C ATOM 46 CG PRO A 233 6.852 6.532 -1.226 1.00 15.00 C ATOM 47 CD PRO A 233 6.079 6.557 0.049 1.00 15.00 C ATOM 0 HA PRO A 233 7.962 9.155 -0.151 1.00 15.00 H new ATOM 0 HB2 PRO A 233 5.996 8.222 -2.239 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.746 8.161 -2.304 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.370 5.900 -1.972 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.857 6.138 -1.075 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.006 6.485 -0.126 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.351 5.730 0.704 1.00 15.00 H new ATOM 55 N ASP A 234 4.813 9.803 -0.787 1.00 15.00 N ATOM 56 CA ASP A 234 3.823 10.870 -0.871 1.00 15.00 C ATOM 57 C ASP A 234 3.034 10.944 0.427 1.00 15.00 C ATOM 58 O ASP A 234 2.257 11.871 0.650 1.00 15.00 O ATOM 59 CB ASP A 234 2.862 10.641 -2.043 1.00 15.00 C ATOM 60 CG ASP A 234 3.556 10.653 -3.389 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.152 9.622 -3.763 1.00 15.00 O1- ATOM 62 OD2 ASP A 234 3.498 11.688 -4.087 1.00 15.00 O ATOM 0 H ASP A 234 4.436 8.873 -0.967 1.00 15.00 H new ATOM 0 HA ASP A 234 4.350 11.810 -1.036 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.357 9.684 -1.910 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.092 11.413 -2.030 1.00 15.00 H new ATOM 67 N GLY A 235 3.230 9.943 1.275 1.00 15.00 N ATOM 68 CA GLY A 235 2.415 9.800 2.466 1.00 15.00 C ATOM 69 C GLY A 235 1.195 8.950 2.189 1.00 15.00 C ATOM 70 O GLY A 235 0.059 9.405 2.316 1.00 15.00 O ATOM 0 H GLY A 235 3.943 9.223 1.158 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.005 9.347 3.263 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.105 10.784 2.819 1.00 15.00 H new ATOM 74 N TRP A 236 1.443 7.708 1.800 1.00 15.00 N ATOM 75 CA TRP A 236 0.386 6.802 1.393 1.00 15.00 C ATOM 76 C TRP A 236 0.534 5.440 2.036 1.00 15.00 C ATOM 77 O TRP A 236 1.634 4.941 2.171 1.00 15.00 O ATOM 78 CB TRP A 236 0.329 6.694 -0.104 1.00 15.00 C ATOM 79 CG TRP A 236 1.609 6.402 -0.846 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.704 7.209 -1.047 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.879 5.208 -1.580 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.528 6.621 -1.949 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.076 5.387 -2.253 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.220 4.018 -1.755 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.616 4.415 -3.087 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.781 3.069 -2.591 1.00 15.00 C ATOM 87 CH2 TRP A 236 2.955 3.267 -3.236 1.00 15.00 C ATOM 0 H TRP A 236 2.379 7.304 1.759 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.559 7.218 1.742 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.387 5.911 -0.354 1.00 15.00 H new ATOM 0 HB3 TRP A 236 -0.074 7.630 -0.490 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.880 8.159 -0.564 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.367 7.049 -2.340 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.284 3.826 -1.251 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.550 4.586 -3.602 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.262 2.133 -2.735 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.357 2.493 -3.873 1.00 15.00 H new ATOM 98 N GLU A 237 -0.571 4.758 2.256 1.00 15.00 N ATOM 99 CA GLU A 237 -0.704 3.931 3.438 1.00 15.00 C ATOM 100 C GLU A 237 -0.202 2.532 3.245 1.00 15.00 C ATOM 101 O GLU A 237 -0.466 1.850 2.251 1.00 15.00 O ATOM 102 CB GLU A 237 -2.175 3.880 3.851 1.00 15.00 C ATOM 103 CG GLU A 237 -2.540 2.865 4.933 1.00 15.00 C ATOM 104 CD GLU A 237 -1.949 3.209 6.286 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.712 3.319 6.402 1.00 15.00 O ATOM 106 OE2 GLU A 237 -2.732 3.388 7.243 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.383 4.759 1.639 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.088 4.386 4.214 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.467 4.871 4.199 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.772 3.665 2.965 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.625 2.808 5.020 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.192 1.877 4.630 1.00 15.00 H new ATOM 113 N GLN A 238 0.510 2.148 4.279 1.00 15.00 N ATOM 114 CA GLN A 238 1.103 0.840 4.412 1.00 15.00 C ATOM 115 C GLN A 238 0.193 0.024 5.290 1.00 15.00 C ATOM 116 O GLN A 238 0.086 0.248 6.496 1.00 15.00 O ATOM 117 CB GLN A 238 2.521 0.925 5.001 1.00 15.00 C ATOM 118 CG GLN A 238 3.147 -0.420 5.351 1.00 15.00 C ATOM 119 CD GLN A 238 2.914 -0.827 6.799 1.00 15.00 C ATOM 120 OE1 GLN A 238 2.840 -2.009 7.123 1.00 15.00 O ATOM 121 NE2 GLN A 238 2.800 0.155 7.680 1.00 15.00 N ATOM 0 H GLN A 238 0.698 2.757 5.075 1.00 15.00 H new ATOM 0 HA GLN A 238 1.208 0.370 3.434 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.166 1.436 4.287 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.490 1.541 5.900 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.737 -1.187 4.694 1.00 15.00 H new ATOM 0 HG3 GLN A 238 4.219 -0.376 5.160 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.867 1.126 7.373 1.00 15.00 H new ATOM 0 HE22 GLN A 238 2.645 -0.059 8.665 1.00 15.00 H new ATOM 130 N ALA A 239 -0.507 -0.880 4.672 1.00 15.00 N ATOM 131 CA ALA A 239 -1.532 -1.608 5.345 1.00 15.00 C ATOM 132 C ALA A 239 -1.181 -3.074 5.427 1.00 15.00 C ATOM 133 O ALA A 239 -0.695 -3.660 4.462 1.00 15.00 O ATOM 134 CB ALA A 239 -2.839 -1.397 4.624 1.00 15.00 C ATOM 0 H ALA A 239 -0.382 -1.130 3.691 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.628 -1.242 6.367 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.628 -1.951 5.132 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -3.085 -0.335 4.620 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.750 -1.753 3.597 1.00 15.00 H new ATOM 140 N MET A 240 -1.440 -3.667 6.570 1.00 15.00 N ATOM 141 CA MET A 240 -1.123 -5.059 6.771 1.00 15.00 C ATOM 142 C MET A 240 -2.310 -5.894 6.349 1.00 15.00 C ATOM 143 O MET A 240 -3.334 -5.928 7.029 1.00 15.00 O ATOM 144 CB MET A 240 -0.772 -5.329 8.237 1.00 15.00 C ATOM 145 CG MET A 240 0.383 -4.481 8.750 1.00 15.00 C ATOM 146 SD MET A 240 0.689 -4.706 10.513 1.00 15.00 S ATOM 147 CE MET A 240 -0.890 -4.210 11.204 1.00 15.00 C ATOM 0 H MET A 240 -1.869 -3.206 7.373 1.00 15.00 H new ATOM 0 HA MET A 240 -0.254 -5.324 6.168 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.651 -5.142 8.853 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.519 -6.383 8.354 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.287 -4.732 8.194 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.171 -3.430 8.554 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.724 -3.644 12.121 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.423 -3.588 10.485 1.00 15.00 H new ATOM 0 HE3 MET A 240 -1.484 -5.096 11.427 1.00 15.00 H new ATOM 157 N THR A 241 -2.183 -6.538 5.206 1.00 15.00 N ATOM 158 CA THR A 241 -3.279 -7.306 4.672 1.00 15.00 C ATOM 159 C THR A 241 -3.187 -8.730 5.202 1.00 15.00 C ATOM 160 O THR A 241 -2.086 -9.235 5.449 1.00 15.00 O ATOM 161 CB THR A 241 -3.300 -7.273 3.119 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.632 -7.502 2.647 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.360 -8.309 2.511 1.00 15.00 C ATOM 0 H THR A 241 -1.337 -6.543 4.636 1.00 15.00 H new ATOM 0 HA THR A 241 -4.219 -6.862 4.999 1.00 15.00 H new ATOM 0 HB THR A 241 -2.955 -6.287 2.808 1.00 15.00 H new ATOM 0 HG1 THR A 241 -5.173 -6.697 2.791 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.408 -8.250 1.424 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.340 -8.113 2.841 1.00 15.00 H new ATOM 0 HG23 THR A 241 -2.660 -9.306 2.833 1.00 15.00 H new ATOM 171 N GLN A 242 -4.345 -9.351 5.391 1.00 15.00 N ATOM 172 CA GLN A 242 -4.455 -10.643 6.069 1.00 15.00 C ATOM 173 C GLN A 242 -3.717 -11.722 5.302 1.00 15.00 C ATOM 174 O GLN A 242 -3.240 -12.703 5.868 1.00 15.00 O ATOM 175 CB GLN A 242 -5.918 -11.055 6.205 1.00 15.00 C ATOM 176 CG GLN A 242 -6.830 -9.988 6.784 1.00 15.00 C ATOM 177 CD GLN A 242 -7.095 -8.827 5.839 1.00 15.00 C ATOM 178 OE1 GLN A 242 -7.118 -8.998 4.621 1.00 15.00 O ATOM 179 NE2 GLN A 242 -7.266 -7.636 6.387 1.00 15.00 N ATOM 0 H GLN A 242 -5.239 -8.974 5.078 1.00 15.00 H new ATOM 0 HA GLN A 242 -4.010 -10.532 7.058 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -6.293 -11.339 5.222 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.974 -11.942 6.836 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -7.781 -10.446 7.058 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -6.386 -9.603 7.702 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -7.240 -7.533 7.401 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -7.424 -6.820 5.795 1.00 15.00 H new ATOM 188 N ASP A 243 -3.682 -11.534 3.999 1.00 15.00 N ATOM 189 CA ASP A 243 -2.912 -12.391 3.089 1.00 15.00 C ATOM 190 C ASP A 243 -1.422 -12.363 3.444 1.00 15.00 C ATOM 191 O ASP A 243 -0.630 -13.176 2.973 1.00 15.00 O ATOM 192 CB ASP A 243 -3.094 -11.894 1.665 1.00 15.00 C ATOM 193 CG ASP A 243 -2.574 -12.867 0.622 1.00 15.00 C ATOM 194 OD1 ASP A 243 -3.162 -13.961 0.477 1.00 15.00 O ATOM 195 OD2 ASP A 243 -1.593 -12.535 -0.073 1.00 15.00 O1- ATOM 0 H ASP A 243 -4.185 -10.782 3.528 1.00 15.00 H new ATOM 0 HA ASP A 243 -3.274 -13.415 3.184 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -4.153 -11.709 1.484 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -2.579 -10.940 1.551 1.00 15.00 H new ATOM 200 N GLY A 244 -1.066 -11.397 4.266 1.00 15.00 N ATOM 201 CA GLY A 244 0.267 -11.319 4.828 1.00 15.00 C ATOM 202 C GLY A 244 1.227 -10.509 3.987 1.00 15.00 C ATOM 203 O GLY A 244 2.270 -11.007 3.575 1.00 15.00 O ATOM 0 H GLY A 244 -1.690 -10.646 4.562 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.208 -10.880 5.824 1.00 15.00 H new ATOM 0 HA3 GLY A 244 0.662 -12.328 4.948 1.00 15.00 H new ATOM 207 N GLU A 245 0.862 -9.255 3.740 1.00 15.00 N ATOM 208 CA GLU A 245 1.736 -8.296 3.057 1.00 15.00 C ATOM 209 C GLU A 245 1.433 -6.888 3.546 1.00 15.00 C ATOM 210 O GLU A 245 0.278 -6.567 3.836 1.00 15.00 O ATOM 211 CB GLU A 245 1.550 -8.345 1.536 1.00 15.00 C ATOM 212 CG GLU A 245 2.209 -9.539 0.864 1.00 15.00 C ATOM 213 CD GLU A 245 3.722 -9.494 0.954 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.333 -8.626 0.303 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.310 -10.327 1.675 1.00 15.00 O ATOM 0 H GLU A 245 -0.045 -8.871 4.005 1.00 15.00 H new ATOM 0 HA GLU A 245 2.767 -8.566 3.287 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.483 -8.360 1.312 1.00 15.00 H new ATOM 0 HB3 GLU A 245 1.954 -7.430 1.102 1.00 15.00 H new ATOM 0 HG2 GLU A 245 1.848 -10.457 1.327 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.911 -9.572 -0.184 1.00 15.00 H new ATOM 222 N ILE A 246 2.455 -6.050 3.627 1.00 15.00 N ATOM 223 CA ILE A 246 2.261 -4.662 4.015 1.00 15.00 C ATOM 224 C ILE A 246 2.218 -3.780 2.764 1.00 15.00 C ATOM 225 O ILE A 246 3.235 -3.299 2.275 1.00 15.00 O ATOM 226 CB ILE A 246 3.345 -4.183 5.020 1.00 15.00 C ATOM 227 CG1 ILE A 246 4.748 -4.176 4.389 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.320 -5.066 6.263 1.00 15.00 C ATOM 229 CD1 ILE A 246 5.870 -3.924 5.375 1.00 15.00 C ATOM 0 H ILE A 246 3.423 -6.305 3.430 1.00 15.00 H new ATOM 0 HA ILE A 246 1.306 -4.579 4.535 1.00 15.00 H new ATOM 0 HB ILE A 246 3.115 -3.155 5.301 1.00 15.00 H new ATOM 0 HG12 ILE A 246 4.919 -5.134 3.899 1.00 15.00 H new ATOM 0 HG13 ILE A 246 4.782 -3.411 3.614 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.081 -4.727 6.965 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.339 -5.004 6.734 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.522 -6.099 5.980 1.00 15.00 H new ATOM 0 HD11 ILE A 246 6.825 -3.935 4.850 1.00 15.00 H new ATOM 0 HD12 ILE A 246 5.727 -2.952 5.848 1.00 15.00 H new ATOM 0 HD13 ILE A 246 5.866 -4.703 6.137 1.00 15.00 H new ATOM 241 N TYR A 247 1.018 -3.556 2.257 1.00 15.00 N ATOM 242 CA TYR A 247 0.857 -2.972 0.937 1.00 15.00 C ATOM 243 C TYR A 247 0.807 -1.454 1.026 1.00 15.00 C ATOM 244 O TYR A 247 0.374 -0.889 2.023 1.00 15.00 O ATOM 245 CB TYR A 247 -0.411 -3.530 0.238 1.00 15.00 C ATOM 246 CG TYR A 247 -1.731 -2.919 0.695 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.992 -1.566 0.516 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.715 -3.697 1.296 1.00 15.00 C ATOM 249 CE1 TYR A 247 -3.162 -0.998 0.918 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.916 -3.134 1.711 1.00 15.00 C ATOM 251 CZ TYR A 247 -4.129 -1.777 1.522 1.00 15.00 C ATOM 252 OH TYR A 247 -5.313 -1.203 1.923 1.00 15.00 O ATOM 0 H TYR A 247 0.144 -3.769 2.737 1.00 15.00 H new ATOM 0 HA TYR A 247 1.721 -3.248 0.333 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.311 -3.375 -0.836 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.452 -4.607 0.403 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.244 -0.946 0.044 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.543 -4.753 1.442 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.333 0.057 0.765 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.675 -3.746 2.175 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.057 -1.612 1.434 1.00 15.00 H new ATOM 262 N TYR A 248 1.265 -0.821 -0.028 1.00 15.00 N ATOM 263 CA TYR A 248 1.220 0.622 -0.184 1.00 15.00 C ATOM 264 C TYR A 248 0.181 1.018 -1.229 1.00 15.00 C ATOM 265 O TYR A 248 0.284 0.627 -2.389 1.00 15.00 O ATOM 266 CB TYR A 248 2.611 1.104 -0.525 1.00 15.00 C ATOM 267 CG TYR A 248 3.469 1.266 0.707 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.070 0.162 1.312 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.702 2.527 1.260 1.00 15.00 C ATOM 270 CE1 TYR A 248 4.867 0.312 2.426 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.506 2.674 2.360 1.00 15.00 C ATOM 272 CZ TYR A 248 5.088 1.569 2.944 1.00 15.00 C ATOM 273 OH TYR A 248 5.898 1.718 4.050 1.00 15.00 O ATOM 0 H TYR A 248 1.690 -1.301 -0.821 1.00 15.00 H new ATOM 0 HA TYR A 248 0.907 1.102 0.744 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.084 0.396 -1.206 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.546 2.057 -1.050 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.908 -0.824 0.902 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.243 3.397 0.815 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.317 -0.553 2.891 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.684 3.657 2.770 1.00 15.00 H new ATOM 0 HH TYR A 248 6.237 0.841 4.328 1.00 15.00 H new ATOM 283 N ILE A 249 -0.843 1.768 -0.808 1.00 15.00 N ATOM 284 CA ILE A 249 -1.768 2.387 -1.762 1.00 15.00 C ATOM 285 C ILE A 249 -1.813 3.888 -1.585 1.00 15.00 C ATOM 286 O ILE A 249 -1.841 4.405 -0.464 1.00 15.00 O ATOM 287 CB ILE A 249 -3.223 1.879 -1.690 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.805 2.030 -0.286 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.340 0.459 -2.187 1.00 15.00 C ATOM 290 CD1 ILE A 249 -5.116 1.300 -0.112 1.00 15.00 C ATOM 0 H ILE A 249 -1.050 1.959 0.172 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.361 2.100 -2.732 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.816 2.507 -2.355 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -3.086 1.654 0.442 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.953 3.088 -0.071 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.379 0.135 -2.121 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.009 0.408 -3.224 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.717 -0.193 -1.575 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.480 1.444 0.905 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.847 1.692 -0.818 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.967 0.236 -0.297 1.00 15.00 H new ATOM 302 N ASN A 250 -1.821 4.587 -2.699 1.00 15.00 N ATOM 303 CA ASN A 250 -1.883 6.031 -2.689 1.00 15.00 C ATOM 304 C ASN A 250 -3.101 6.485 -3.457 1.00 15.00 C ATOM 305 O ASN A 250 -3.428 5.912 -4.493 1.00 15.00 O ATOM 306 CB ASN A 250 -0.621 6.622 -3.316 1.00 15.00 C ATOM 307 CG ASN A 250 -0.491 8.121 -3.107 1.00 15.00 C ATOM 308 OD1 ASN A 250 0.083 8.815 -3.932 1.00 15.00 O ATOM 309 ND2 ASN A 250 -1.001 8.628 -1.994 1.00 15.00 N ATOM 0 H ASN A 250 -1.785 4.173 -3.631 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.952 6.378 -1.658 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.253 6.126 -2.893 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.621 6.410 -4.385 1.00 15.00 H new ATOM 0 HD21 ASN A 250 -0.920 9.627 -1.805 1.00 15.00 H new ATOM 0 HD22 ASN A 250 -1.474 8.019 -1.326 1.00 15.00 H new ATOM 316 N HIS A 251 -3.770 7.504 -2.943 1.00 15.00 N ATOM 317 CA HIS A 251 -4.904 8.105 -3.630 1.00 15.00 C ATOM 318 C HIS A 251 -4.434 9.178 -4.610 1.00 15.00 C ATOM 319 O HIS A 251 -5.212 9.689 -5.410 1.00 15.00 O ATOM 320 CB HIS A 251 -5.904 8.665 -2.612 1.00 15.00 C ATOM 321 CG HIS A 251 -6.693 7.591 -1.912 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.170 6.788 -0.917 1.00 15.00 N ATOM 323 CD2 HIS A 251 -7.968 7.173 -2.093 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.090 5.923 -0.524 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.191 6.134 -1.220 1.00 15.00 N ATOM 0 H HIS A 251 -3.546 7.935 -2.046 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.414 7.336 -4.210 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.367 9.256 -1.870 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.592 9.341 -3.120 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.680 7.581 -2.795 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -6.962 5.170 0.239 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -9.063 5.613 -1.126 1.00 15.00 H new ATOM 334 N LYS A 252 -3.154 9.519 -4.530 1.00 15.00 N ATOM 335 CA LYS A 252 -2.525 10.401 -5.510 1.00 15.00 C ATOM 336 C LYS A 252 -1.931 9.565 -6.647 1.00 15.00 C ATOM 337 O LYS A 252 -2.179 9.825 -7.824 1.00 15.00 O ATOM 338 CB LYS A 252 -1.450 11.258 -4.826 1.00 15.00 C ATOM 339 CG LYS A 252 -0.555 12.047 -5.772 1.00 15.00 C ATOM 340 CD LYS A 252 0.395 12.947 -4.995 1.00 15.00 C ATOM 341 CE LYS A 252 1.429 13.606 -5.895 1.00 15.00 C ATOM 342 NZ LYS A 252 2.429 12.632 -6.404 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.527 9.197 -3.793 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.271 11.073 -5.934 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -1.941 11.956 -4.148 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.823 10.608 -4.215 1.00 15.00 H new ATOM 0 HG2 LYS A 252 0.017 11.360 -6.396 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -1.168 12.650 -6.441 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -0.178 13.717 -4.479 1.00 15.00 H new ATOM 0 HD3 LYS A 252 0.903 12.361 -4.229 1.00 15.00 H new ATOM 0 HE2 LYS A 252 0.926 14.082 -6.737 1.00 15.00 H new ATOM 0 HE3 LYS A 252 1.940 14.394 -5.342 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 3.281 13.140 -6.716 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 2.681 11.966 -5.646 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 2.025 12.107 -7.206 1.00 15.00 H new ATOM 356 N ASN A 253 -1.142 8.560 -6.279 1.00 15.00 N ATOM 357 CA ASN A 253 -0.600 7.602 -7.242 1.00 15.00 C ATOM 358 C ASN A 253 -1.702 6.711 -7.806 1.00 15.00 C ATOM 359 O ASN A 253 -1.601 6.216 -8.928 1.00 15.00 O ATOM 360 CB ASN A 253 0.490 6.726 -6.592 1.00 15.00 C ATOM 361 CG ASN A 253 1.866 7.368 -6.636 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.640 7.128 -7.561 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.177 8.190 -5.645 1.00 15.00 N ATOM 0 H ASN A 253 -0.861 8.386 -5.314 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.156 8.173 -8.058 1.00 15.00 H new ATOM 0 HB2 ASN A 253 0.220 6.528 -5.555 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.527 5.763 -7.101 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.087 8.650 -5.631 1.00 15.00 H new ATOM 0 HD22 ASN A 253 1.506 8.363 -4.896 1.00 15.00 H new ATOM 370 N LYS A 254 -2.744 6.513 -7.003 1.00 15.00 N ATOM 371 CA LYS A 254 -3.826 5.578 -7.309 1.00 15.00 C ATOM 372 C LYS A 254 -3.261 4.220 -7.709 1.00 15.00 C ATOM 373 O LYS A 254 -3.404 3.767 -8.845 1.00 15.00 O ATOM 374 CB LYS A 254 -4.760 6.135 -8.384 1.00 15.00 C ATOM 375 CG LYS A 254 -6.048 5.344 -8.509 1.00 15.00 C ATOM 376 CD LYS A 254 -7.158 6.156 -9.143 1.00 15.00 C ATOM 377 CE LYS A 254 -7.368 7.473 -8.413 1.00 15.00 C ATOM 378 NZ LYS A 254 -8.439 8.290 -9.034 1.00 15.00 N1+ ATOM 0 H LYS A 254 -2.863 7.000 -6.115 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.422 5.444 -6.407 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.997 7.173 -8.151 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -4.244 6.134 -9.344 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.867 4.450 -9.106 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.364 5.009 -7.521 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -6.917 6.352 -10.188 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -8.084 5.581 -9.132 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.622 7.274 -7.372 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -6.436 8.039 -8.411 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -8.549 9.179 -8.505 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -8.186 8.503 -10.020 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -9.335 7.762 -9.013 1.00 15.00 H new ATOM 392 N THR A 255 -2.569 3.605 -6.767 1.00 15.00 N ATOM 393 CA THR A 255 -1.833 2.375 -7.034 1.00 15.00 C ATOM 394 C THR A 255 -1.752 1.512 -5.796 1.00 15.00 C ATOM 395 O THR A 255 -1.768 2.019 -4.676 1.00 15.00 O ATOM 396 CB THR A 255 -0.380 2.638 -7.449 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.234 3.973 -7.940 1.00 15.00 O ATOM 398 CG2 THR A 255 0.125 1.667 -8.501 1.00 15.00 C ATOM 0 H THR A 255 -2.499 3.936 -5.805 1.00 15.00 H new ATOM 0 HA THR A 255 -2.380 1.886 -7.840 1.00 15.00 H new ATOM 0 HB THR A 255 0.221 2.494 -6.551 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.663 4.087 -8.317 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.158 1.907 -8.751 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.072 0.650 -8.113 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.493 1.746 -9.396 1.00 15.00 H new ATOM 406 N THR A 256 -1.675 0.224 -6.020 1.00 15.00 N ATOM 407 CA THR A 256 -1.437 -0.739 -4.962 1.00 15.00 C ATOM 408 C THR A 256 -0.126 -1.482 -5.221 1.00 15.00 C ATOM 409 O THR A 256 -0.015 -2.260 -6.170 1.00 15.00 O ATOM 410 CB THR A 256 -2.575 -1.762 -4.857 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.836 -1.084 -4.827 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.411 -2.608 -3.603 1.00 15.00 C ATOM 0 H THR A 256 -1.776 -0.193 -6.945 1.00 15.00 H new ATOM 0 HA THR A 256 -1.382 -0.187 -4.024 1.00 15.00 H new ATOM 0 HB THR A 256 -2.540 -2.417 -5.728 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.169 -0.972 -5.742 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.226 -3.329 -3.542 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.459 -3.138 -3.643 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.430 -1.963 -2.724 1.00 15.00 H new ATOM 420 N SER A 257 0.867 -1.220 -4.392 1.00 15.00 N ATOM 421 CA SER A 257 2.168 -1.859 -4.518 1.00 15.00 C ATOM 422 C SER A 257 2.429 -2.748 -3.302 1.00 15.00 C ATOM 423 O SER A 257 2.024 -2.409 -2.193 1.00 15.00 O ATOM 424 CB SER A 257 3.249 -0.782 -4.655 1.00 15.00 C ATOM 425 OG SER A 257 4.530 -1.347 -4.873 1.00 15.00 O ATOM 0 H SER A 257 0.798 -0.562 -3.616 1.00 15.00 H new ATOM 0 HA SER A 257 2.188 -2.488 -5.408 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.999 -0.119 -5.483 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.270 -0.171 -3.753 1.00 15.00 H new ATOM 0 HG SER A 257 5.193 -0.631 -4.957 1.00 15.00 H new ATOM 431 N TRP A 258 3.112 -3.870 -3.517 1.00 15.00 N ATOM 432 CA TRP A 258 3.363 -4.844 -2.453 1.00 15.00 C ATOM 433 C TRP A 258 4.158 -4.263 -1.294 1.00 15.00 C ATOM 434 O TRP A 258 3.705 -4.271 -0.156 1.00 15.00 O ATOM 435 CB TRP A 258 4.137 -6.052 -2.984 1.00 15.00 C ATOM 436 CG TRP A 258 3.297 -7.057 -3.697 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.517 -7.567 -4.939 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.105 -7.674 -3.213 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.550 -8.484 -5.251 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.667 -8.559 -4.214 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.363 -7.571 -2.032 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.529 -9.329 -4.073 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.219 -8.335 -1.901 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.182 -9.204 -2.922 1.00 15.00 C ATOM 0 H TRP A 258 3.504 -4.130 -4.422 1.00 15.00 H new ATOM 0 HA TRP A 258 2.377 -5.140 -2.095 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.915 -5.700 -3.662 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.639 -6.542 -2.150 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.336 -7.289 -5.585 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.498 -9.022 -6.116 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.677 -6.908 -1.239 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.215 -10.008 -4.852 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.372 -8.261 -1.000 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.080 -9.790 -2.792 1.00 15.00 H new ATOM 455 N LEU A 259 5.350 -3.784 -1.594 1.00 15.00 N ATOM 456 CA LEU A 259 6.329 -3.466 -0.571 1.00 15.00 C ATOM 457 C LEU A 259 6.756 -2.000 -0.571 1.00 15.00 C ATOM 458 O LEU A 259 6.571 -1.287 -1.560 1.00 15.00 O ATOM 459 CB LEU A 259 7.536 -4.382 -0.635 1.00 15.00 C ATOM 460 CG LEU A 259 7.511 -5.516 0.388 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.870 -6.181 0.441 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.122 -4.988 1.768 1.00 15.00 C ATOM 0 H LEU A 259 5.666 -3.605 -2.547 1.00 15.00 H new ATOM 0 HA LEU A 259 5.820 -3.640 0.377 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.601 -4.810 -1.635 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.438 -3.789 -0.483 1.00 15.00 H new ATOM 0 HG LEU A 259 6.765 -6.250 0.084 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.851 -6.990 1.171 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.116 -6.584 -0.541 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.623 -5.448 0.731 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.110 -5.811 2.482 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.847 -4.240 2.089 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.131 -4.536 1.719 1.00 15.00 H new ATOM 474 N ASP A 260 7.335 -1.567 0.555 1.00 15.00 N ATOM 475 CA ASP A 260 7.521 -0.168 0.872 1.00 15.00 C ATOM 476 C ASP A 260 8.359 0.561 -0.164 1.00 15.00 C ATOM 477 O ASP A 260 9.480 0.175 -0.485 1.00 15.00 O ATOM 478 CB ASP A 260 8.175 -0.042 2.252 1.00 15.00 C ATOM 479 CG ASP A 260 9.501 -0.773 2.371 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.547 -1.986 2.078 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.488 -0.145 2.805 1.00 15.00 O1- ATOM 0 H ASP A 260 7.689 -2.197 1.275 1.00 15.00 H new ATOM 0 HA ASP A 260 6.537 0.301 0.873 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.331 1.014 2.475 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.489 -0.428 3.006 1.00 15.00 H new ATOM 486 N PRO A 261 7.795 1.662 -0.678 1.00 15.00 N ATOM 487 CA PRO A 261 8.383 2.478 -1.715 1.00 15.00 C ATOM 488 C PRO A 261 9.359 3.454 -1.201 1.00 15.00 C ATOM 489 O PRO A 261 10.077 4.192 -1.872 1.00 15.00 O ATOM 490 CB PRO A 261 7.182 3.063 -2.445 1.00 15.00 C ATOM 491 CG PRO A 261 6.188 3.260 -1.340 1.00 15.00 C ATOM 492 CD PRO A 261 6.481 2.197 -0.299 1.00 15.00 C ATOM 0 HA PRO A 261 9.009 1.912 -2.405 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.428 4.002 -2.941 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.806 2.386 -3.212 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.278 4.258 -0.911 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.169 3.165 -1.714 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.500 2.620 0.705 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.719 1.417 -0.303 1.00 15.00 H new ATOM 500 N ARG A 262 9.266 3.386 0.006 1.00 15.00 N ATOM 501 CA ARG A 262 9.935 4.263 0.965 1.00 15.00 C ATOM 502 C ARG A 262 11.408 3.882 1.048 1.00 15.00 C ATOM 503 O ARG A 262 12.249 4.655 1.506 1.00 15.00 O ATOM 504 CB ARG A 262 9.310 4.136 2.358 1.00 15.00 C ATOM 505 CG ARG A 262 9.678 2.827 3.029 1.00 15.00 C ATOM 506 CD ARG A 262 9.055 2.649 4.400 1.00 15.00 C ATOM 507 NE ARG A 262 9.416 1.342 4.946 1.00 15.00 N ATOM 508 CZ ARG A 262 8.910 0.810 6.057 1.00 15.00 C ATOM 509 NH1 ARG A 262 7.965 1.448 6.739 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 9.334 -0.381 6.464 1.00 15.00 N ATOM 0 H ARG A 262 8.688 2.680 0.462 1.00 15.00 H new ATOM 0 HA ARG A 262 9.823 5.293 0.625 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.640 4.968 2.980 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.226 4.209 2.277 1.00 15.00 H new ATOM 0 HG2 ARG A 262 9.368 2.001 2.389 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.762 2.769 3.122 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.396 3.439 5.069 1.00 15.00 H new ATOM 0 HD3 ARG A 262 7.971 2.737 4.330 1.00 15.00 H new ATOM 0 HE ARG A 262 10.110 0.795 4.436 1.00 15.00 H new ATOM 0 HH11 ARG A 262 7.622 2.352 6.412 1.00 15.00 H new ATOM 0 HH12 ARG A 262 7.582 1.034 7.589 1.00 15.00 H new ATOM 0 HH21 ARG A 262 10.042 -0.881 5.927 1.00 15.00 H new ATOM 0 HH22 ARG A 262 8.952 -0.795 7.314 1.00 15.00 H new ATOM 524 N LEU A 263 11.690 2.662 0.615 1.00 15.00 N ATOM 525 CA LEU A 263 13.011 2.083 0.731 1.00 15.00 C ATOM 526 C LEU A 263 13.876 2.515 -0.445 1.00 15.00 C ATOM 527 O LEU A 263 14.828 3.294 -0.233 1.00 15.00 O ATOM 528 CB LEU A 263 12.892 0.556 0.790 1.00 15.00 C ATOM 529 CG LEU A 263 14.178 -0.185 1.169 1.00 15.00 C ATOM 530 CD1 LEU A 263 14.627 0.204 2.570 1.00 15.00 C ATOM 531 CD2 LEU A 263 13.969 -1.689 1.073 1.00 15.00 C ATOM 532 OXT LEU A 263 13.585 2.099 -1.583 1.00 15.00 O ATOM 0 H LEU A 263 11.005 2.049 0.173 1.00 15.00 H new ATOM 0 HA LEU A 263 13.486 2.434 1.647 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.116 0.296 1.510 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.558 0.196 -0.183 1.00 15.00 H new ATOM 0 HG LEU A 263 14.962 0.101 0.468 1.00 15.00 H new ATOM 0 HD11 LEU A 263 15.542 -0.333 2.821 1.00 15.00 H new ATOM 0 HD12 LEU A 263 14.814 1.277 2.607 1.00 15.00 H new ATOM 0 HD13 LEU A 263 13.847 -0.053 3.287 1.00 15.00 H new ATOM 0 HD21 LEU A 263 14.891 -2.203 1.345 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.172 -1.990 1.753 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.694 -1.954 0.052 1.00 15.00 H new ATOM 545 N THR B 222 1.742 -12.966 -8.683 1.00 15.00 N ATOM 546 CA THR B 222 0.462 -12.664 -8.019 1.00 15.00 C ATOM 547 C THR B 222 0.390 -11.193 -7.619 1.00 15.00 C ATOM 548 O THR B 222 1.316 -10.660 -7.007 1.00 15.00 O ATOM 549 CB THR B 222 0.263 -13.560 -6.780 1.00 15.00 C ATOM 550 OG1 THR B 222 1.498 -13.687 -6.063 1.00 15.00 O ATOM 551 CG2 THR B 222 -0.238 -14.939 -7.184 1.00 15.00 C ATOM 0 HA THR B 222 -0.338 -12.870 -8.730 1.00 15.00 H new ATOM 0 HB THR B 222 -0.484 -13.093 -6.138 1.00 15.00 H new ATOM 0 HG1 THR B 222 2.245 -13.455 -6.654 1.00 15.00 H new ATOM 0 HG21 THR B 222 -0.371 -15.553 -6.293 1.00 15.00 H new ATOM 0 HG22 THR B 222 -1.191 -14.842 -7.703 1.00 15.00 H new ATOM 0 HG23 THR B 222 0.489 -15.411 -7.845 1.00 15.00 H new ATOM 561 N PRO B 223 -0.698 -10.508 -8.001 1.00 15.00 N ATOM 562 CA PRO B 223 -0.904 -9.102 -7.671 1.00 15.00 C ATOM 563 C PRO B 223 -1.590 -8.919 -6.310 1.00 15.00 C ATOM 564 O PRO B 223 -2.173 -9.868 -5.777 1.00 15.00 O ATOM 565 CB PRO B 223 -1.814 -8.637 -8.806 1.00 15.00 C ATOM 566 CG PRO B 223 -2.645 -9.831 -9.137 1.00 15.00 C ATOM 567 CD PRO B 223 -1.810 -11.046 -8.807 1.00 15.00 C ATOM 0 HA PRO B 223 0.028 -8.544 -7.585 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -2.434 -7.796 -8.497 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -1.235 -8.306 -9.668 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.571 -9.830 -8.562 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -2.924 -9.828 -10.191 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.385 -11.786 -8.250 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.447 -11.538 -9.710 1.00 15.00 H new ATOM 575 N PRO B 224 -1.565 -7.695 -5.737 1.00 15.00 N ATOM 576 CA PRO B 224 -2.174 -7.391 -4.455 1.00 15.00 C ATOM 577 C PRO B 224 -3.618 -6.937 -4.644 1.00 15.00 C ATOM 578 O PRO B 224 -4.114 -6.915 -5.772 1.00 15.00 O ATOM 579 CB PRO B 224 -1.285 -6.241 -3.916 1.00 15.00 C ATOM 580 CG PRO B 224 -0.507 -5.737 -5.091 1.00 15.00 C ATOM 581 CD PRO B 224 -1.017 -6.469 -6.297 1.00 15.00 C ATOM 0 HA PRO B 224 -2.222 -8.244 -3.778 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.894 -5.448 -3.482 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.619 -6.598 -3.131 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.638 -4.661 -5.208 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.559 -5.915 -4.953 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -1.777 -5.893 -6.826 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.219 -6.674 -7.010 1.00 15.00 H new ATOM 589 N PRO B 225 -4.328 -6.611 -3.553 1.00 15.00 N ATOM 590 CA PRO B 225 -5.652 -5.995 -3.646 1.00 15.00 C ATOM 591 C PRO B 225 -5.640 -4.811 -4.611 1.00 15.00 C ATOM 592 O PRO B 225 -4.628 -4.132 -4.751 1.00 15.00 O ATOM 593 CB PRO B 225 -5.901 -5.514 -2.215 1.00 15.00 C ATOM 594 CG PRO B 225 -5.134 -6.459 -1.361 1.00 15.00 C ATOM 595 CD PRO B 225 -3.916 -6.838 -2.155 1.00 15.00 C ATOM 0 HA PRO B 225 -6.416 -6.676 -4.020 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.559 -4.488 -2.077 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.963 -5.532 -1.970 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.855 -5.993 -0.416 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.731 -7.338 -1.118 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.056 -6.225 -1.886 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.633 -7.877 -1.984 1.00 15.00 H new ATOM 603 N ALA B 226 -6.761 -4.572 -5.277 1.00 15.00 N ATOM 604 CA ALA B 226 -6.880 -3.457 -6.214 1.00 15.00 C ATOM 605 C ALA B 226 -6.659 -2.122 -5.502 1.00 15.00 C ATOM 606 O ALA B 226 -6.413 -2.089 -4.298 1.00 15.00 O ATOM 607 CB ALA B 226 -8.244 -3.484 -6.889 1.00 15.00 C ATOM 0 H ALA B 226 -7.606 -5.136 -5.187 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.109 -3.563 -6.977 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.322 -2.649 -7.585 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.363 -4.422 -7.432 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.025 -3.401 -6.134 1.00 15.00 H new ATOM 613 N TYR B 227 -6.744 -1.020 -6.231 1.00 15.00 N ATOM 614 CA TYR B 227 -6.619 0.284 -5.600 1.00 15.00 C ATOM 615 C TYR B 227 -7.845 0.552 -4.728 1.00 15.00 C ATOM 616 O TYR B 227 -8.996 0.380 -5.137 1.00 15.00 O ATOM 617 CB TYR B 227 -6.363 1.396 -6.634 1.00 15.00 C ATOM 618 CG TYR B 227 -6.933 2.726 -6.208 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.264 3.528 -5.304 1.00 15.00 C ATOM 620 CD2 TYR B 227 -8.169 3.155 -6.680 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.797 4.721 -4.880 1.00 15.00 C ATOM 622 CE2 TYR B 227 -8.717 4.347 -6.256 1.00 15.00 C ATOM 623 CZ TYR B 227 -8.030 5.127 -5.355 1.00 15.00 C ATOM 624 OH TYR B 227 -8.580 6.317 -4.932 1.00 15.00 O ATOM 0 H TYR B 227 -6.896 -1.001 -7.239 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.743 0.283 -4.951 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.290 1.499 -6.793 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -6.801 1.106 -7.589 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.304 3.211 -4.923 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -8.708 2.545 -7.390 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -6.255 5.339 -4.179 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -9.679 4.666 -6.629 1.00 15.00 H new ATOM 0 HH TYR B 227 -9.449 6.448 -5.366 1.00 15.00 H new ATOM 634 N LEU B 228 -7.533 1.019 -3.535 1.00 15.00 N ATOM 635 CA LEU B 228 -8.332 0.813 -2.346 1.00 15.00 C ATOM 636 C LEU B 228 -8.177 1.978 -1.377 1.00 15.00 C ATOM 637 O LEU B 228 -7.182 2.698 -1.433 1.00 15.00 O ATOM 638 CB LEU B 228 -7.941 -0.484 -1.635 1.00 15.00 C ATOM 639 CG LEU B 228 -8.531 -1.764 -2.226 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.120 -2.965 -1.390 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.047 -1.666 -2.308 1.00 15.00 C ATOM 0 H LEU B 228 -6.691 1.568 -3.363 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.372 0.745 -2.665 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -6.854 -0.569 -1.643 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.247 -0.412 -0.591 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.142 -1.892 -3.236 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -8.546 -3.871 -1.821 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.033 -3.045 -1.378 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -8.486 -2.841 -0.371 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.449 -2.587 -2.731 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.457 -1.517 -1.309 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.323 -0.824 -2.943 1.00 15.00 H new ATOM 653 N PRO B 229 -9.186 2.252 -0.547 1.00 15.00 N ATOM 654 CA PRO B 229 -8.949 3.038 0.649 1.00 15.00 C ATOM 655 C PRO B 229 -8.545 2.059 1.757 1.00 15.00 C ATOM 656 O PRO B 229 -8.981 0.906 1.760 1.00 15.00 O ATOM 657 CB PRO B 229 -10.318 3.669 0.954 1.00 15.00 C ATOM 658 CG PRO B 229 -11.266 3.137 -0.077 1.00 15.00 C ATOM 659 CD PRO B 229 -10.608 1.939 -0.711 1.00 15.00 C ATOM 0 HA PRO B 229 -8.172 3.796 0.554 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.651 3.409 1.959 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.264 4.757 0.908 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.215 2.857 0.381 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.485 3.897 -0.827 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.882 1.010 -0.211 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.884 1.829 -1.760 1.00 15.00 H new ATOM 667 N PRO B 230 -7.721 2.496 2.718 1.00 15.00 N ATOM 668 CA PRO B 230 -6.736 1.626 3.363 1.00 15.00 C ATOM 669 C PRO B 230 -7.234 0.869 4.586 1.00 15.00 C ATOM 670 O PRO B 230 -8.090 1.334 5.340 1.00 15.00 O ATOM 671 CB PRO B 230 -5.636 2.617 3.781 1.00 15.00 C ATOM 672 CG PRO B 230 -6.139 3.990 3.434 1.00 15.00 C ATOM 673 CD PRO B 230 -7.623 3.859 3.229 1.00 15.00 C ATOM 0 HA PRO B 230 -6.430 0.831 2.682 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.429 2.539 4.848 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.703 2.403 3.259 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.918 4.698 4.233 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.654 4.365 2.533 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.180 3.991 4.157 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.007 4.593 2.520 1.00 15.00 H new ATOM 681 N GLU B 231 -6.632 -0.301 4.777 1.00 15.00 N ATOM 682 CA GLU B 231 -7.112 -1.298 5.730 1.00 15.00 C ATOM 683 C GLU B 231 -6.095 -1.532 6.829 1.00 15.00 C ATOM 684 O GLU B 231 -4.897 -1.376 6.626 1.00 15.00 O ATOM 685 CB GLU B 231 -7.448 -2.623 5.041 1.00 15.00 C ATOM 686 CG GLU B 231 -6.453 -3.060 4.004 1.00 15.00 C ATOM 687 CD GLU B 231 -6.947 -4.237 3.183 1.00 15.00 C ATOM 688 OE1 GLU B 231 -8.077 -4.163 2.658 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -6.218 -5.248 3.074 1.00 15.00 O ATOM 0 H GLU B 231 -5.793 -0.586 4.272 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.026 -0.903 6.172 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.528 -3.402 5.800 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.427 -2.535 4.571 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -6.235 -2.224 3.340 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.518 -3.330 4.494 1.00 15.00 H new ATOM 696 N ASP B 232 -6.580 -1.887 7.994 1.00 15.00 N ATOM 697 CA ASP B 232 -5.719 -1.987 9.170 1.00 15.00 C ATOM 698 C ASP B 232 -5.693 -3.395 9.798 1.00 15.00 C ATOM 699 O ASP B 232 -4.616 -3.892 10.124 1.00 15.00 O ATOM 700 CB ASP B 232 -6.113 -0.942 10.213 1.00 15.00 C ATOM 701 CG ASP B 232 -5.046 -0.744 11.267 1.00 15.00 C ATOM 702 OD1 ASP B 232 -3.964 -0.210 10.929 1.00 15.00 O ATOM 703 OD2 ASP B 232 -5.293 -1.087 12.442 1.00 15.00 O1- ATOM 0 H ASP B 232 -7.560 -2.113 8.163 1.00 15.00 H new ATOM 0 HA ASP B 232 -4.705 -1.791 8.822 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -6.308 0.008 9.715 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -7.042 -1.246 10.694 1.00 15.00 H new ATOM 708 N PRO B 233 -6.865 -4.041 10.029 1.00 15.00 N ATOM 709 CA PRO B 233 -6.921 -5.353 10.704 1.00 15.00 C ATOM 710 C PRO B 233 -6.347 -6.497 9.867 1.00 15.00 C ATOM 711 O PRO B 233 -5.185 -6.881 10.109 1.00 15.00 O ATOM 712 CB PRO B 233 -8.418 -5.569 10.946 1.00 15.00 C ATOM 713 CG PRO B 233 -9.089 -4.760 9.893 1.00 15.00 C ATOM 714 CD PRO B 233 -8.216 -3.556 9.686 1.00 15.00 C ATOM 715 OXT PRO B 233 -7.071 -7.029 8.994 1.00 15.00 O ATOM 0 HA PRO B 233 -6.317 -5.352 11.611 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -8.684 -6.623 10.866 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -8.710 -5.241 11.944 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.195 -5.330 8.970 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -10.092 -4.467 10.204 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.264 -3.199 8.657 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -8.518 -2.727 10.326 1.00 15.00 H new