USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 348 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= -0.415 K(o=-0.9,f=-0.032) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -0.485 USER MOD Set 2.1: A 250 ASN : amide:sc= -2.18 K(o=-5.5,f=-4.3!) USER MOD Set 2.2: A 253 ASN : amide:sc= -3.32 K(o=-5.5,f=-2.8) USER MOD Set 3.1: A 238 GLN : amide:sc= 0.267 K(o=1.3,f=-2.2!) USER MOD Set 3.2: A 248 TYR OH : rot -37:sc= 1.04 USER MOD Single : A 240 MET CE :methyl -162:sc= -0.117 (180deg=-0.538) 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 130:sc= -1.49! USER MOD Single : A 252 LYS NZ :NH3+ -117:sc= 1 (180deg=-1.14) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 256 THR OG1 : rot -129:sc= -0.104 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 26:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 7.893 3.992 9.477 1.00 15.00 N ATOM 2 CA GLY A 230 7.801 4.003 7.999 1.00 15.00 C ATOM 3 C GLY A 230 7.313 5.337 7.480 1.00 15.00 C ATOM 4 O GLY A 230 6.151 5.693 7.684 1.00 15.00 O ATOM 0 HA2 GLY A 230 8.779 3.782 7.572 1.00 15.00 H new ATOM 0 HA3 GLY A 230 7.124 3.215 7.670 1.00 15.00 H new ATOM 8 N PRO A 231 8.184 6.102 6.808 1.00 15.00 N ATOM 9 CA PRO A 231 7.880 7.415 6.277 1.00 15.00 C ATOM 10 C PRO A 231 7.610 7.322 4.785 1.00 15.00 C ATOM 11 O PRO A 231 8.514 7.010 4.006 1.00 15.00 O ATOM 12 CB PRO A 231 9.190 8.171 6.546 1.00 15.00 C ATOM 13 CG PRO A 231 10.250 7.103 6.697 1.00 15.00 C ATOM 14 CD PRO A 231 9.565 5.773 6.477 1.00 15.00 C ATOM 0 HA PRO A 231 7.001 7.888 6.715 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.428 8.847 5.725 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.114 8.779 7.448 1.00 15.00 H new ATOM 0 HG2 PRO A 231 11.052 7.249 5.973 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.703 7.145 7.688 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.669 5.423 5.450 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.967 4.992 7.123 1.00 15.00 H new ATOM 22 N LEU A 232 6.377 7.539 4.365 1.00 15.00 N ATOM 23 CA LEU A 232 6.048 7.203 2.996 1.00 15.00 C ATOM 24 C LEU A 232 6.433 8.326 2.059 1.00 15.00 C ATOM 25 O LEU A 232 6.565 9.474 2.479 1.00 15.00 O ATOM 26 CB LEU A 232 4.576 6.829 2.771 1.00 15.00 C ATOM 27 CG LEU A 232 4.023 5.661 3.606 1.00 15.00 C ATOM 28 CD1 LEU A 232 5.107 4.951 4.411 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.927 6.128 4.532 1.00 15.00 C ATOM 0 H LEU A 232 5.618 7.929 4.924 1.00 15.00 H new ATOM 0 HA LEU A 232 6.631 6.309 2.776 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.967 7.710 2.973 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.444 6.586 1.717 1.00 15.00 H new ATOM 0 HG LEU A 232 3.614 4.944 2.894 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.662 4.136 4.981 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.860 4.550 3.733 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.575 5.659 5.095 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.554 5.282 5.110 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.321 6.885 5.210 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.113 6.554 3.946 1.00 15.00 H new ATOM 41 N PRO A 233 6.577 8.019 0.764 1.00 15.00 N ATOM 42 CA PRO A 233 7.035 8.993 -0.221 1.00 15.00 C ATOM 43 C PRO A 233 6.038 10.135 -0.410 1.00 15.00 C ATOM 44 O PRO A 233 6.416 11.278 -0.666 1.00 15.00 O ATOM 45 CB PRO A 233 7.158 8.170 -1.500 1.00 15.00 C ATOM 46 CG PRO A 233 7.168 6.731 -1.065 1.00 15.00 C ATOM 47 CD PRO A 233 6.290 6.709 0.142 1.00 15.00 C ATOM 0 HA PRO A 233 7.965 9.475 0.080 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.325 8.369 -2.174 1.00 15.00 H new ATOM 0 HB3 PRO A 233 8.071 8.421 -2.040 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.786 6.075 -1.848 1.00 15.00 H new ATOM 0 HG3 PRO A 233 8.177 6.393 -0.830 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.238 6.606 -0.122 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.534 5.881 0.807 1.00 15.00 H new ATOM 55 N ASP A 234 4.760 9.802 -0.331 1.00 15.00 N ATOM 56 CA ASP A 234 3.690 10.793 -0.401 1.00 15.00 C ATOM 57 C ASP A 234 2.967 10.881 0.934 1.00 15.00 C ATOM 58 O ASP A 234 2.145 11.768 1.150 1.00 15.00 O ATOM 59 CB ASP A 234 2.665 10.434 -1.483 1.00 15.00 C ATOM 60 CG ASP A 234 3.217 10.453 -2.893 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.173 9.704 -3.184 1.00 15.00 O ATOM 62 OD2 ASP A 234 2.662 11.187 -3.734 1.00 15.00 O1- ATOM 0 H ASP A 234 4.432 8.843 -0.217 1.00 15.00 H new ATOM 0 HA ASP A 234 4.150 11.750 -0.647 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.266 9.441 -1.274 1.00 15.00 H new ATOM 0 HB3 ASP A 234 1.830 11.132 -1.422 1.00 15.00 H new ATOM 67 N GLY A 235 3.271 9.944 1.823 1.00 15.00 N ATOM 68 CA GLY A 235 2.462 9.758 3.011 1.00 15.00 C ATOM 69 C GLY A 235 1.322 8.796 2.740 1.00 15.00 C ATOM 70 O GLY A 235 0.249 8.900 3.334 1.00 15.00 O ATOM 0 H GLY A 235 4.065 9.309 1.742 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.082 9.376 3.822 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.064 10.718 3.339 1.00 15.00 H new ATOM 74 N TRP A 236 1.571 7.846 1.842 1.00 15.00 N ATOM 75 CA TRP A 236 0.540 6.922 1.389 1.00 15.00 C ATOM 76 C TRP A 236 0.655 5.564 2.060 1.00 15.00 C ATOM 77 O TRP A 236 1.745 5.058 2.243 1.00 15.00 O ATOM 78 CB TRP A 236 0.562 6.797 -0.120 1.00 15.00 C ATOM 79 CG TRP A 236 1.884 6.501 -0.792 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.994 7.303 -0.928 1.00 15.00 C ATOM 81 CD2 TRP A 236 2.198 5.308 -1.520 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.868 6.718 -1.775 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.436 5.492 -2.119 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.555 4.115 -1.744 1.00 15.00 C ATOM 85 CZ2 TRP A 236 4.030 4.533 -2.929 1.00 15.00 C ATOM 86 CZ3 TRP A 236 2.175 3.179 -2.554 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.382 3.386 -3.127 1.00 15.00 C ATOM 0 H TRP A 236 2.484 7.697 1.413 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.424 7.336 1.684 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.138 6.009 -0.399 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.177 7.728 -0.537 1.00 15.00 H new ATOM 0 HD1 TRP A 236 3.143 8.252 -0.434 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.733 7.145 -2.107 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.591 3.913 -1.300 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.992 4.712 -3.386 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.672 2.241 -2.736 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.822 2.619 -3.747 1.00 15.00 H new ATOM 98 N GLU A 237 -0.466 4.884 2.232 1.00 15.00 N ATOM 99 CA GLU A 237 -0.643 4.019 3.390 1.00 15.00 C ATOM 100 C GLU A 237 -0.159 2.613 3.171 1.00 15.00 C ATOM 101 O GLU A 237 -0.392 1.976 2.141 1.00 15.00 O ATOM 102 CB GLU A 237 -2.122 4.008 3.779 1.00 15.00 C ATOM 103 CG GLU A 237 -2.541 3.006 4.855 1.00 15.00 C ATOM 104 CD GLU A 237 -1.948 3.336 6.209 1.00 15.00 C ATOM 105 OE1 GLU A 237 -2.574 4.117 6.954 1.00 15.00 O ATOM 106 OE2 GLU A 237 -0.853 2.838 6.531 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.261 4.912 1.593 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.030 4.427 4.194 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.391 5.007 4.121 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.708 3.809 2.882 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.628 2.991 4.931 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.228 2.005 4.558 1.00 15.00 H new ATOM 113 N GLN A 238 0.499 2.168 4.219 1.00 15.00 N ATOM 114 CA GLN A 238 1.080 0.846 4.307 1.00 15.00 C ATOM 115 C GLN A 238 0.211 0.000 5.210 1.00 15.00 C ATOM 116 O GLN A 238 0.270 0.107 6.437 1.00 15.00 O ATOM 117 CB GLN A 238 2.516 0.887 4.849 1.00 15.00 C ATOM 118 CG GLN A 238 3.067 -0.486 5.216 1.00 15.00 C ATOM 119 CD GLN A 238 4.359 -0.413 6.009 1.00 15.00 C ATOM 120 OE1 GLN A 238 5.453 -0.447 5.450 1.00 15.00 O ATOM 121 NE2 GLN A 238 4.243 -0.300 7.324 1.00 15.00 N ATOM 0 H GLN A 238 0.649 2.731 5.056 1.00 15.00 H new ATOM 0 HA GLN A 238 1.126 0.417 3.306 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.165 1.342 4.101 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.545 1.529 5.730 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.321 -1.028 5.797 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.238 -1.058 4.304 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.318 -0.275 7.754 1.00 15.00 H new ATOM 0 HE22 GLN A 238 5.078 -0.238 7.906 1.00 15.00 H new ATOM 130 N ALA A 239 -0.624 -0.804 4.609 1.00 15.00 N ATOM 131 CA ALA A 239 -1.582 -1.575 5.358 1.00 15.00 C ATOM 132 C ALA A 239 -1.241 -3.048 5.292 1.00 15.00 C ATOM 133 O ALA A 239 -0.738 -3.533 4.280 1.00 15.00 O ATOM 134 CB ALA A 239 -2.970 -1.308 4.830 1.00 15.00 C ATOM 0 H ALA A 239 -0.661 -0.943 3.599 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.548 -1.276 6.406 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.694 -1.892 5.398 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -3.200 -0.247 4.931 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -3.020 -1.591 3.779 1.00 15.00 H new ATOM 140 N MET A 240 -1.499 -3.756 6.374 1.00 15.00 N ATOM 141 CA MET A 240 -1.141 -5.156 6.450 1.00 15.00 C ATOM 142 C MET A 240 -2.320 -6.027 6.056 1.00 15.00 C ATOM 143 O MET A 240 -3.308 -6.123 6.783 1.00 15.00 O ATOM 144 CB MET A 240 -0.660 -5.524 7.856 1.00 15.00 C ATOM 145 CG MET A 240 0.555 -4.735 8.315 1.00 15.00 C ATOM 146 SD MET A 240 1.155 -5.253 9.936 1.00 15.00 S ATOM 147 CE MET A 240 -0.270 -4.895 10.961 1.00 15.00 C ATOM 0 H MET A 240 -1.953 -3.386 7.209 1.00 15.00 H new ATOM 0 HA MET A 240 -0.323 -5.333 5.751 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.474 -5.363 8.562 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.422 -6.587 7.882 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.355 -4.850 7.583 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.303 -3.675 8.348 1.00 15.00 H new ATOM 0 HE1 MET A 240 0.035 -4.854 12.007 1.00 15.00 H new ATOM 0 HE2 MET A 240 -0.696 -3.935 10.669 1.00 15.00 H new ATOM 0 HE3 MET A 240 -1.017 -5.678 10.832 1.00 15.00 H new ATOM 157 N THR A 241 -2.200 -6.666 4.909 1.00 15.00 N ATOM 158 CA THR A 241 -3.227 -7.567 4.426 1.00 15.00 C ATOM 159 C THR A 241 -2.935 -8.969 4.948 1.00 15.00 C ATOM 160 O THR A 241 -1.774 -9.309 5.178 1.00 15.00 O ATOM 161 CB THR A 241 -3.340 -7.546 2.880 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.359 -8.454 2.444 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.016 -7.891 2.204 1.00 15.00 C ATOM 0 H THR A 241 -1.394 -6.576 4.290 1.00 15.00 H new ATOM 0 HA THR A 241 -4.195 -7.234 4.802 1.00 15.00 H new ATOM 0 HB THR A 241 -3.607 -6.530 2.589 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.422 -8.430 1.466 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.142 -7.864 1.122 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.257 -7.166 2.499 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.702 -8.889 2.508 1.00 15.00 H new ATOM 171 N GLN A 242 -3.985 -9.763 5.145 1.00 15.00 N ATOM 172 CA GLN A 242 -3.910 -10.992 5.949 1.00 15.00 C ATOM 173 C GLN A 242 -2.896 -11.991 5.403 1.00 15.00 C ATOM 174 O GLN A 242 -2.389 -12.838 6.142 1.00 15.00 O ATOM 175 CB GLN A 242 -5.270 -11.671 5.976 1.00 15.00 C ATOM 176 CG GLN A 242 -6.428 -10.734 6.279 1.00 15.00 C ATOM 177 CD GLN A 242 -7.716 -11.479 6.560 1.00 15.00 C ATOM 178 OE1 GLN A 242 -8.457 -11.834 5.641 1.00 15.00 O ATOM 179 NE2 GLN A 242 -8.009 -11.694 7.833 1.00 15.00 N ATOM 0 H GLN A 242 -4.910 -9.579 4.756 1.00 15.00 H new ATOM 0 HA GLN A 242 -3.594 -10.692 6.948 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.445 -12.147 5.011 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.253 -12.464 6.724 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.175 -10.115 7.139 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -6.578 -10.061 5.435 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -7.368 -11.384 8.563 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -8.876 -12.170 8.084 1.00 15.00 H new ATOM 188 N ASP A 243 -2.641 -11.917 4.108 1.00 15.00 N ATOM 189 CA ASP A 243 -1.603 -12.736 3.466 1.00 15.00 C ATOM 190 C ASP A 243 -0.227 -12.460 4.073 1.00 15.00 C ATOM 191 O ASP A 243 0.716 -13.233 3.913 1.00 15.00 O ATOM 192 CB ASP A 243 -1.550 -12.440 1.977 1.00 15.00 C ATOM 193 CG ASP A 243 -0.599 -13.362 1.230 1.00 15.00 C ATOM 194 OD1 ASP A 243 -0.907 -14.570 1.113 1.00 15.00 O ATOM 195 OD2 ASP A 243 0.456 -12.889 0.756 1.00 15.00 O1- ATOM 0 H ASP A 243 -3.137 -11.296 3.469 1.00 15.00 H new ATOM 0 HA ASP A 243 -1.860 -13.783 3.630 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -2.550 -12.537 1.555 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.240 -11.406 1.827 1.00 15.00 H new ATOM 200 N GLY A 244 -0.129 -11.337 4.754 1.00 15.00 N ATOM 201 CA GLY A 244 1.106 -10.944 5.401 1.00 15.00 C ATOM 202 C GLY A 244 1.980 -10.107 4.496 1.00 15.00 C ATOM 203 O GLY A 244 3.154 -10.407 4.289 1.00 15.00 O ATOM 0 H GLY A 244 -0.896 -10.676 4.874 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.878 -10.381 6.306 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.653 -11.835 5.710 1.00 15.00 H new ATOM 207 N GLU A 245 1.384 -9.052 3.957 1.00 15.00 N ATOM 208 CA GLU A 245 2.091 -8.088 3.126 1.00 15.00 C ATOM 209 C GLU A 245 1.742 -6.681 3.576 1.00 15.00 C ATOM 210 O GLU A 245 0.566 -6.354 3.748 1.00 15.00 O ATOM 211 CB GLU A 245 1.707 -8.254 1.652 1.00 15.00 C ATOM 212 CG GLU A 245 2.258 -9.518 1.006 1.00 15.00 C ATOM 213 CD GLU A 245 3.734 -9.422 0.673 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.520 -8.937 1.514 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.118 -9.835 -0.443 1.00 15.00 O ATOM 0 H GLU A 245 0.394 -8.840 4.084 1.00 15.00 H new ATOM 0 HA GLU A 245 3.162 -8.261 3.231 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.620 -8.260 1.569 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.064 -7.388 1.095 1.00 15.00 H new ATOM 0 HG2 GLU A 245 2.097 -10.361 1.677 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.699 -9.726 0.094 1.00 15.00 H new ATOM 222 N ILE A 246 2.755 -5.855 3.769 1.00 15.00 N ATOM 223 CA ILE A 246 2.531 -4.460 4.095 1.00 15.00 C ATOM 224 C ILE A 246 2.460 -3.654 2.800 1.00 15.00 C ATOM 225 O ILE A 246 3.472 -3.245 2.247 1.00 15.00 O ATOM 226 CB ILE A 246 3.630 -3.902 5.041 1.00 15.00 C ATOM 227 CG1 ILE A 246 5.028 -4.008 4.408 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.589 -4.636 6.376 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.167 -3.693 5.356 1.00 15.00 C ATOM 0 H ILE A 246 3.736 -6.126 3.706 1.00 15.00 H new ATOM 0 HA ILE A 246 1.587 -4.373 4.632 1.00 15.00 H new ATOM 0 HB ILE A 246 3.427 -2.844 5.209 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.163 -5.018 4.020 1.00 15.00 H new ATOM 0 HG13 ILE A 246 5.081 -3.329 3.557 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.362 -4.239 7.033 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.612 -4.495 6.839 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.763 -5.699 6.212 1.00 15.00 H new ATOM 0 HD11 ILE A 246 7.116 -3.791 4.830 1.00 15.00 H new ATOM 0 HD12 ILE A 246 6.061 -2.673 5.726 1.00 15.00 H new ATOM 0 HD13 ILE A 246 6.144 -4.388 6.196 1.00 15.00 H new ATOM 241 N TYR A 247 1.249 -3.432 2.314 1.00 15.00 N ATOM 242 CA TYR A 247 1.076 -2.882 0.982 1.00 15.00 C ATOM 243 C TYR A 247 1.049 -1.363 1.042 1.00 15.00 C ATOM 244 O TYR A 247 0.621 -0.776 2.031 1.00 15.00 O ATOM 245 CB TYR A 247 -0.201 -3.451 0.303 1.00 15.00 C ATOM 246 CG TYR A 247 -1.521 -2.813 0.725 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.739 -1.453 0.554 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.547 -3.568 1.281 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.908 -0.857 0.925 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.742 -2.977 1.659 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.914 -1.616 1.481 1.00 15.00 C ATOM 252 OH TYR A 247 -5.095 -1.017 1.852 1.00 15.00 O ATOM 0 H TYR A 247 0.382 -3.622 2.816 1.00 15.00 H new ATOM 0 HA TYR A 247 1.926 -3.182 0.368 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.095 -3.341 -0.776 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.254 -4.520 0.510 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -0.959 -0.849 0.114 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.411 -4.630 1.420 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.044 0.205 0.784 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.533 -3.574 2.089 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.848 -1.520 1.479 1.00 15.00 H new ATOM 262 N TYR A 248 1.502 -0.753 -0.029 1.00 15.00 N ATOM 263 CA TYR A 248 1.499 0.687 -0.198 1.00 15.00 C ATOM 264 C TYR A 248 0.501 1.094 -1.281 1.00 15.00 C ATOM 265 O TYR A 248 0.628 0.692 -2.438 1.00 15.00 O ATOM 266 CB TYR A 248 2.909 1.134 -0.520 1.00 15.00 C ATOM 267 CG TYR A 248 3.753 1.315 0.714 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.367 0.228 1.331 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.971 2.585 1.251 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.159 0.403 2.444 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.769 2.756 2.346 1.00 15.00 C ATOM 272 CZ TYR A 248 5.362 1.669 2.944 1.00 15.00 C ATOM 273 OH TYR A 248 6.163 1.849 4.049 1.00 15.00 O ATOM 0 H TYR A 248 1.893 -1.254 -0.827 1.00 15.00 H new ATOM 0 HA TYR A 248 1.179 1.179 0.720 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.379 0.399 -1.173 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.872 2.073 -1.072 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.220 -0.765 0.932 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.502 3.444 0.794 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.619 -0.449 2.922 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.935 3.747 2.743 1.00 15.00 H new ATOM 0 HH TYR A 248 6.034 1.103 4.672 1.00 15.00 H new ATOM 283 N ILE A 249 -0.513 1.874 -0.892 1.00 15.00 N ATOM 284 CA ILE A 249 -1.447 2.451 -1.862 1.00 15.00 C ATOM 285 C ILE A 249 -1.505 3.962 -1.734 1.00 15.00 C ATOM 286 O ILE A 249 -1.588 4.512 -0.633 1.00 15.00 O ATOM 287 CB ILE A 249 -2.882 1.905 -1.746 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.475 2.156 -0.359 1.00 15.00 C ATOM 289 CG2 ILE A 249 -2.922 0.434 -2.090 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.838 1.532 -0.185 1.00 15.00 C ATOM 0 H ILE A 249 -0.706 2.118 0.079 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.053 2.158 -2.835 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.498 2.446 -2.465 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.799 1.758 0.398 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.548 3.230 -0.189 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.945 0.067 -2.002 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.572 0.290 -3.112 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.279 -0.118 -1.405 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.209 1.743 0.818 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.525 1.948 -0.921 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.765 0.454 -0.326 1.00 15.00 H new ATOM 302 N ASN A 250 -1.448 4.632 -2.866 1.00 15.00 N ATOM 303 CA ASN A 250 -1.517 6.078 -2.891 1.00 15.00 C ATOM 304 C ASN A 250 -2.704 6.515 -3.719 1.00 15.00 C ATOM 305 O ASN A 250 -2.938 5.981 -4.810 1.00 15.00 O ATOM 306 CB ASN A 250 -0.222 6.674 -3.451 1.00 15.00 C ATOM 307 CG ASN A 250 -0.193 8.194 -3.388 1.00 15.00 C ATOM 308 OD1 ASN A 250 -0.960 8.815 -2.656 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.713 8.801 -4.136 1.00 15.00 N ATOM 0 H ASN A 250 -1.354 4.197 -3.784 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.640 6.443 -1.871 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.626 6.276 -2.893 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.100 6.356 -4.486 1.00 15.00 H new ATOM 0 HD21 ASN A 250 0.792 9.818 -4.117 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.333 8.252 -4.732 1.00 15.00 H new ATOM 316 N HIS A 251 -3.434 7.494 -3.199 1.00 15.00 N ATOM 317 CA HIS A 251 -4.606 8.032 -3.873 1.00 15.00 C ATOM 318 C HIS A 251 -4.196 8.998 -4.977 1.00 15.00 C ATOM 319 O HIS A 251 -4.982 9.303 -5.868 1.00 15.00 O ATOM 320 CB HIS A 251 -5.537 8.727 -2.870 1.00 15.00 C ATOM 321 CG HIS A 251 -6.409 7.788 -2.080 1.00 15.00 C ATOM 322 ND1 HIS A 251 -5.926 6.918 -1.125 1.00 15.00 N ATOM 323 CD2 HIS A 251 -7.749 7.593 -2.112 1.00 15.00 C ATOM 324 CE1 HIS A 251 -6.929 6.230 -0.611 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.049 6.621 -1.189 1.00 15.00 N ATOM 0 H HIS A 251 -3.230 7.935 -2.302 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.148 7.202 -4.327 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -4.933 9.313 -2.177 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.174 9.428 -3.409 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.454 8.108 -2.748 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -6.846 5.473 0.155 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -8.981 6.262 -0.985 1.00 15.00 H new ATOM 334 N LYS A 252 -2.966 9.488 -4.905 1.00 15.00 N ATOM 335 CA LYS A 252 -2.426 10.332 -5.962 1.00 15.00 C ATOM 336 C LYS A 252 -1.651 9.476 -6.960 1.00 15.00 C ATOM 337 O LYS A 252 -1.245 9.941 -8.021 1.00 15.00 O ATOM 338 CB LYS A 252 -1.535 11.432 -5.374 1.00 15.00 C ATOM 339 CG LYS A 252 -1.138 12.505 -6.378 1.00 15.00 C ATOM 340 CD LYS A 252 -0.515 13.732 -5.714 1.00 15.00 C ATOM 341 CE LYS A 252 0.817 13.424 -5.043 1.00 15.00 C ATOM 342 NZ LYS A 252 0.651 12.896 -3.663 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.326 9.317 -4.130 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.250 10.817 -6.485 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.057 11.903 -4.541 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.632 10.976 -4.968 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.430 12.085 -7.092 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -2.018 12.811 -6.944 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -0.369 14.510 -6.463 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -1.208 14.130 -4.972 1.00 15.00 H new ATOM 0 HE2 LYS A 252 1.363 12.696 -5.644 1.00 15.00 H new ATOM 0 HE3 LYS A 252 1.422 14.330 -5.012 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 1.084 13.555 -2.985 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 -0.362 12.795 -3.449 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 1.115 11.968 -3.588 1.00 15.00 H new ATOM 356 N ASN A 253 -1.432 8.219 -6.598 1.00 15.00 N ATOM 357 CA ASN A 253 -0.783 7.268 -7.495 1.00 15.00 C ATOM 358 C ASN A 253 -1.812 6.322 -8.093 1.00 15.00 C ATOM 359 O ASN A 253 -1.554 5.670 -9.104 1.00 15.00 O ATOM 360 CB ASN A 253 0.318 6.471 -6.773 1.00 15.00 C ATOM 361 CG ASN A 253 1.651 7.202 -6.742 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.702 6.588 -6.579 1.00 15.00 O ATOM 363 ND2 ASN A 253 1.621 8.516 -6.921 1.00 15.00 N ATOM 0 H ASN A 253 -1.693 7.833 -5.691 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.311 7.836 -8.297 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.001 6.263 -5.752 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.448 5.509 -7.269 1.00 15.00 H new ATOM 0 HD21 ASN A 253 2.490 9.050 -6.926 1.00 15.00 H new ATOM 0 HD22 ASN A 253 0.729 8.992 -7.053 1.00 15.00 H new ATOM 370 N LYS A 254 -2.974 6.242 -7.442 1.00 15.00 N ATOM 371 CA LYS A 254 -4.079 5.403 -7.900 1.00 15.00 C ATOM 372 C LYS A 254 -3.612 3.953 -8.064 1.00 15.00 C ATOM 373 O LYS A 254 -4.065 3.228 -8.951 1.00 15.00 O ATOM 374 CB LYS A 254 -4.637 5.971 -9.215 1.00 15.00 C ATOM 375 CG LYS A 254 -5.895 5.275 -9.716 1.00 15.00 C ATOM 376 CD LYS A 254 -6.526 6.025 -10.874 1.00 15.00 C ATOM 377 CE LYS A 254 -7.210 7.298 -10.403 1.00 15.00 C ATOM 378 NZ LYS A 254 -7.816 8.051 -11.527 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.174 6.757 -6.584 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.877 5.406 -7.158 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.853 7.030 -9.077 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.867 5.900 -9.983 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.649 4.260 -10.030 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.614 5.191 -8.901 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.761 6.272 -11.610 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -7.252 5.383 -11.373 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.983 7.047 -9.676 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -6.485 7.931 -9.891 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -8.272 8.912 -11.162 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -7.075 8.313 -12.208 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -8.527 7.457 -12.000 1.00 15.00 H new ATOM 392 N THR A 255 -2.728 3.510 -7.179 1.00 15.00 N ATOM 393 CA THR A 255 -2.172 2.168 -7.319 1.00 15.00 C ATOM 394 C THR A 255 -1.793 1.513 -6.030 1.00 15.00 C ATOM 395 O THR A 255 -1.455 2.152 -5.027 1.00 15.00 O ATOM 396 CB THR A 255 -0.986 2.040 -8.289 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.396 0.734 -8.212 1.00 15.00 O ATOM 398 CG2 THR A 255 0.085 3.088 -8.032 1.00 15.00 C ATOM 0 H THR A 255 -2.387 4.042 -6.378 1.00 15.00 H new ATOM 0 HA THR A 255 -3.023 1.642 -7.752 1.00 15.00 H new ATOM 0 HB THR A 255 -1.389 2.201 -9.289 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.355 0.677 -8.839 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.901 2.956 -8.742 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.343 4.083 -8.152 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.466 2.977 -7.017 1.00 15.00 H new ATOM 406 N THR A 256 -1.888 0.217 -6.114 1.00 15.00 N ATOM 407 CA THR A 256 -1.593 -0.679 -5.018 1.00 15.00 C ATOM 408 C THR A 256 -0.297 -1.437 -5.299 1.00 15.00 C ATOM 409 O THR A 256 -0.264 -2.347 -6.129 1.00 15.00 O ATOM 410 CB THR A 256 -2.733 -1.689 -4.805 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.977 -0.994 -4.643 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.460 -2.558 -3.582 1.00 15.00 C ATOM 0 H THR A 256 -2.179 -0.264 -6.965 1.00 15.00 H new ATOM 0 HA THR A 256 -1.484 -0.079 -4.114 1.00 15.00 H new ATOM 0 HB THR A 256 -2.793 -2.334 -5.682 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.429 -1.317 -3.836 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.278 -3.266 -3.449 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.527 -3.104 -3.724 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.379 -1.926 -2.697 1.00 15.00 H new ATOM 420 N SER A 257 0.771 -1.048 -4.626 1.00 15.00 N ATOM 421 CA SER A 257 2.062 -1.686 -4.809 1.00 15.00 C ATOM 422 C SER A 257 2.426 -2.453 -3.540 1.00 15.00 C ATOM 423 O SER A 257 2.149 -1.984 -2.443 1.00 15.00 O ATOM 424 CB SER A 257 3.114 -0.622 -5.137 1.00 15.00 C ATOM 425 OG SER A 257 4.311 -1.214 -5.614 1.00 15.00 O ATOM 0 H SER A 257 0.769 -0.289 -3.944 1.00 15.00 H new ATOM 0 HA SER A 257 2.022 -2.392 -5.639 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.720 0.063 -5.887 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.327 -0.031 -4.246 1.00 15.00 H new ATOM 0 HG SER A 257 4.964 -0.513 -5.817 1.00 15.00 H new ATOM 431 N TRP A 258 3.050 -3.620 -3.688 1.00 15.00 N ATOM 432 CA TRP A 258 3.314 -4.498 -2.544 1.00 15.00 C ATOM 433 C TRP A 258 4.191 -3.847 -1.475 1.00 15.00 C ATOM 434 O TRP A 258 3.712 -3.506 -0.403 1.00 15.00 O ATOM 435 CB TRP A 258 3.996 -5.796 -2.990 1.00 15.00 C ATOM 436 CG TRP A 258 3.075 -6.800 -3.610 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.212 -7.374 -4.836 1.00 15.00 C ATOM 438 CD2 TRP A 258 1.879 -7.346 -3.041 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.190 -8.256 -5.063 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.358 -8.254 -3.980 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.200 -7.164 -1.830 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.198 -8.970 -3.752 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.033 -7.876 -1.611 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.451 -8.773 -2.575 1.00 15.00 C ATOM 0 H TRP A 258 3.382 -3.980 -4.583 1.00 15.00 H new ATOM 0 HA TRP A 258 2.336 -4.706 -2.110 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.781 -5.552 -3.705 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.482 -6.252 -2.127 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.012 -7.164 -5.530 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.070 -8.822 -5.903 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.579 -6.483 -1.083 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -0.181 -9.665 -4.487 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.511 -7.739 -0.688 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.361 -9.320 -2.377 1.00 15.00 H new ATOM 455 N LEU A 259 5.458 -3.645 -1.789 1.00 15.00 N ATOM 456 CA LEU A 259 6.462 -3.378 -0.767 1.00 15.00 C ATOM 457 C LEU A 259 6.958 -1.931 -0.739 1.00 15.00 C ATOM 458 O LEU A 259 6.821 -1.195 -1.722 1.00 15.00 O ATOM 459 CB LEU A 259 7.632 -4.343 -0.852 1.00 15.00 C ATOM 460 CG LEU A 259 7.561 -5.495 0.152 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.910 -6.186 0.229 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.140 -4.989 1.529 1.00 15.00 C ATOM 0 H LEU A 259 5.819 -3.660 -2.743 1.00 15.00 H new ATOM 0 HA LEU A 259 5.943 -3.541 0.178 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.678 -4.755 -1.860 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.558 -3.791 -0.691 1.00 15.00 H new ATOM 0 HG LEU A 259 6.811 -6.211 -0.185 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.858 -7.007 0.945 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.175 -6.577 -0.753 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.667 -5.471 0.551 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.096 -5.826 2.226 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.865 -4.257 1.885 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.157 -4.522 1.460 1.00 15.00 H new ATOM 474 N ASP A 260 7.562 -1.553 0.398 1.00 15.00 N ATOM 475 CA ASP A 260 7.787 -0.169 0.772 1.00 15.00 C ATOM 476 C ASP A 260 8.635 0.583 -0.241 1.00 15.00 C ATOM 477 O ASP A 260 9.737 0.178 -0.606 1.00 15.00 O ATOM 478 CB ASP A 260 8.452 -0.107 2.157 1.00 15.00 C ATOM 479 CG ASP A 260 9.796 -0.803 2.216 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.855 -2.017 1.943 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.788 -0.136 2.572 1.00 15.00 O1- ATOM 0 H ASP A 260 7.909 -2.220 1.087 1.00 15.00 H new ATOM 0 HA ASP A 260 6.813 0.319 0.799 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.580 0.937 2.443 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.785 -0.559 2.891 1.00 15.00 H new ATOM 486 N PRO A 261 8.102 1.730 -0.682 1.00 15.00 N ATOM 487 CA PRO A 261 8.700 2.583 -1.684 1.00 15.00 C ATOM 488 C PRO A 261 9.674 3.534 -1.123 1.00 15.00 C ATOM 489 O PRO A 261 10.389 4.306 -1.755 1.00 15.00 O ATOM 490 CB PRO A 261 7.494 3.206 -2.372 1.00 15.00 C ATOM 491 CG PRO A 261 6.554 3.420 -1.225 1.00 15.00 C ATOM 492 CD PRO A 261 6.809 2.285 -0.255 1.00 15.00 C ATOM 0 HA PRO A 261 9.326 2.049 -2.399 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.748 4.141 -2.871 1.00 15.00 H new ATOM 0 HB3 PRO A 261 7.070 2.546 -3.129 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.731 4.385 -0.751 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.518 3.417 -1.564 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.849 2.642 0.774 1.00 15.00 H new ATOM 0 HD3 PRO A 261 6.019 1.536 -0.302 1.00 15.00 H new ATOM 500 N ARG A 262 9.571 3.420 0.079 1.00 15.00 N ATOM 501 CA ARG A 262 10.181 4.298 1.076 1.00 15.00 C ATOM 502 C ARG A 262 11.599 3.835 1.388 1.00 15.00 C ATOM 503 O ARG A 262 12.372 4.547 2.032 1.00 15.00 O ATOM 504 CB ARG A 262 9.326 4.343 2.359 1.00 15.00 C ATOM 505 CG ARG A 262 9.363 3.062 3.187 1.00 15.00 C ATOM 506 CD ARG A 262 10.514 3.067 4.184 1.00 15.00 C ATOM 507 NE ARG A 262 11.137 1.752 4.304 1.00 15.00 N ATOM 508 CZ ARG A 262 12.076 1.444 5.191 1.00 15.00 C ATOM 509 NH1 ARG A 262 12.507 2.353 6.055 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 12.594 0.222 5.203 1.00 15.00 N ATOM 0 H ARG A 262 9.026 2.669 0.503 1.00 15.00 H new ATOM 0 HA ARG A 262 10.228 5.307 0.667 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.667 5.172 2.979 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.292 4.554 2.085 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.420 2.947 3.721 1.00 15.00 H new ATOM 0 HG3 ARG A 262 9.460 2.203 2.523 1.00 15.00 H new ATOM 0 HD2 ARG A 262 11.262 3.796 3.871 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.147 3.385 5.160 1.00 15.00 H new ATOM 0 HE ARG A 262 10.830 1.020 3.663 1.00 15.00 H new ATOM 0 HH11 ARG A 262 12.117 3.295 6.041 1.00 15.00 H new ATOM 0 HH12 ARG A 262 13.229 2.110 6.734 1.00 15.00 H new ATOM 0 HH21 ARG A 262 12.271 -0.476 4.533 1.00 15.00 H new ATOM 0 HH22 ARG A 262 13.316 -0.019 5.882 1.00 15.00 H new ATOM 524 N LEU A 263 11.913 2.628 0.940 1.00 15.00 N ATOM 525 CA LEU A 263 13.206 2.018 1.197 1.00 15.00 C ATOM 526 C LEU A 263 14.315 2.808 0.513 1.00 15.00 C ATOM 527 O LEU A 263 14.310 2.892 -0.732 1.00 15.00 O ATOM 528 CB LEU A 263 13.196 0.565 0.715 1.00 15.00 C ATOM 529 CG LEU A 263 14.475 -0.228 0.992 1.00 15.00 C ATOM 530 CD1 LEU A 263 14.740 -0.316 2.488 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.376 -1.620 0.384 1.00 15.00 C ATOM 532 OXT LEU A 263 15.188 3.349 1.223 1.00 15.00 O ATOM 0 H LEU A 263 11.280 2.047 0.390 1.00 15.00 H new ATOM 0 HA LEU A 263 13.399 2.030 2.270 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.360 0.049 1.187 1.00 15.00 H new ATOM 0 HB3 LEU A 263 13.010 0.558 -0.359 1.00 15.00 H new ATOM 0 HG LEU A 263 15.312 0.295 0.529 1.00 15.00 H new ATOM 0 HD11 LEU A 263 15.654 -0.884 2.663 1.00 15.00 H new ATOM 0 HD12 LEU A 263 14.853 0.688 2.897 1.00 15.00 H new ATOM 0 HD13 LEU A 263 13.903 -0.815 2.977 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.293 -2.173 0.589 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.529 -2.148 0.821 1.00 15.00 H new ATOM 0 HD23 LEU A 263 14.236 -1.537 -0.694 1.00 15.00 H new TER 544 LEU A 263 ATOM 545 N THR B 222 0.846 -13.342 -7.179 1.00 15.00 N ATOM 546 CA THR B 222 -0.578 -12.956 -7.235 1.00 15.00 C ATOM 547 C THR B 222 -0.728 -11.489 -6.839 1.00 15.00 C ATOM 548 O THR B 222 -0.234 -11.082 -5.790 1.00 15.00 O ATOM 549 CB THR B 222 -1.426 -13.847 -6.295 1.00 15.00 C ATOM 550 OG1 THR B 222 -1.233 -15.235 -6.621 1.00 15.00 O ATOM 551 CG2 THR B 222 -2.906 -13.513 -6.398 1.00 15.00 C ATOM 0 HA THR B 222 -0.937 -13.096 -8.255 1.00 15.00 H new ATOM 0 HB THR B 222 -1.096 -13.655 -5.274 1.00 15.00 H new ATOM 0 HG1 THR B 222 -0.354 -15.354 -7.038 1.00 15.00 H new ATOM 0 HG21 THR B 222 -3.472 -14.157 -5.725 1.00 15.00 H new ATOM 0 HG22 THR B 222 -3.064 -12.471 -6.121 1.00 15.00 H new ATOM 0 HG23 THR B 222 -3.244 -13.672 -7.422 1.00 15.00 H new ATOM 561 N PRO B 223 -1.381 -10.667 -7.688 1.00 15.00 N ATOM 562 CA PRO B 223 -1.545 -9.226 -7.437 1.00 15.00 C ATOM 563 C PRO B 223 -2.198 -8.925 -6.081 1.00 15.00 C ATOM 564 O PRO B 223 -2.799 -9.810 -5.462 1.00 15.00 O ATOM 565 CB PRO B 223 -2.450 -8.755 -8.590 1.00 15.00 C ATOM 566 CG PRO B 223 -3.024 -9.996 -9.184 1.00 15.00 C ATOM 567 CD PRO B 223 -1.999 -11.065 -8.964 1.00 15.00 C ATOM 0 HA PRO B 223 -0.582 -8.717 -7.399 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.237 -8.095 -8.226 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -1.881 -8.193 -9.331 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.969 -10.257 -8.708 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -3.228 -9.863 -10.246 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.453 -12.054 -8.902 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.270 -11.099 -9.773 1.00 15.00 H new ATOM 575 N PRO B 224 -2.122 -7.664 -5.608 1.00 15.00 N ATOM 576 CA PRO B 224 -2.629 -7.251 -4.313 1.00 15.00 C ATOM 577 C PRO B 224 -4.070 -6.752 -4.427 1.00 15.00 C ATOM 578 O PRO B 224 -4.654 -6.781 -5.515 1.00 15.00 O ATOM 579 CB PRO B 224 -1.662 -6.095 -3.932 1.00 15.00 C ATOM 580 CG PRO B 224 -0.927 -5.742 -5.190 1.00 15.00 C ATOM 581 CD PRO B 224 -1.606 -6.488 -6.295 1.00 15.00 C ATOM 0 HA PRO B 224 -2.659 -8.053 -3.575 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -2.212 -5.236 -3.547 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.970 -6.407 -3.150 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.958 -4.667 -5.370 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.124 -6.023 -5.119 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.404 -5.901 -6.751 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.911 -6.755 -7.092 1.00 15.00 H new ATOM 589 N PRO B 225 -4.679 -6.329 -3.308 1.00 15.00 N ATOM 590 CA PRO B 225 -5.972 -5.642 -3.339 1.00 15.00 C ATOM 591 C PRO B 225 -5.971 -4.502 -4.359 1.00 15.00 C ATOM 592 O PRO B 225 -4.949 -3.856 -4.570 1.00 15.00 O ATOM 593 CB PRO B 225 -6.092 -5.089 -1.917 1.00 15.00 C ATOM 594 CG PRO B 225 -5.336 -6.056 -1.078 1.00 15.00 C ATOM 595 CD PRO B 225 -4.187 -6.520 -1.928 1.00 15.00 C ATOM 0 HA PRO B 225 -6.796 -6.294 -3.629 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.671 -4.086 -1.844 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -7.134 -5.021 -1.604 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.980 -5.585 -0.162 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.967 -6.894 -0.781 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.286 -5.936 -1.739 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.938 -7.563 -1.731 1.00 15.00 H new ATOM 603 N ALA B 226 -7.112 -4.268 -4.994 1.00 15.00 N ATOM 604 CA ALA B 226 -7.251 -3.182 -5.964 1.00 15.00 C ATOM 605 C ALA B 226 -6.987 -1.824 -5.311 1.00 15.00 C ATOM 606 O ALA B 226 -6.697 -1.745 -4.118 1.00 15.00 O ATOM 607 CB ALA B 226 -8.637 -3.210 -6.587 1.00 15.00 C ATOM 0 H ALA B 226 -7.960 -4.817 -4.856 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.508 -3.328 -6.748 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.729 -2.397 -7.307 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.789 -4.163 -7.094 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.389 -3.090 -5.807 1.00 15.00 H new ATOM 613 N TYR B 227 -7.087 -0.751 -6.089 1.00 15.00 N ATOM 614 CA TYR B 227 -6.891 0.584 -5.543 1.00 15.00 C ATOM 615 C TYR B 227 -8.061 0.917 -4.624 1.00 15.00 C ATOM 616 O TYR B 227 -9.230 0.853 -5.009 1.00 15.00 O ATOM 617 CB TYR B 227 -6.714 1.607 -6.671 1.00 15.00 C ATOM 618 CG TYR B 227 -6.887 3.043 -6.238 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.228 3.534 -5.120 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.712 3.904 -6.948 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.383 4.841 -4.721 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.874 5.217 -6.556 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.209 5.681 -5.442 1.00 15.00 C ATOM 624 OH TYR B 227 -7.365 6.991 -5.057 1.00 15.00 O ATOM 0 H TYR B 227 -7.300 -0.779 -7.086 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.976 0.621 -4.952 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.720 1.487 -7.103 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.433 1.388 -7.461 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.583 2.879 -4.554 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -8.235 3.541 -7.820 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.862 5.208 -3.849 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.518 5.877 -7.119 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.979 7.442 -5.673 1.00 15.00 H new ATOM 634 N LEU B 228 -7.692 1.297 -3.416 1.00 15.00 N ATOM 635 CA LEU B 228 -8.521 1.146 -2.238 1.00 15.00 C ATOM 636 C LEU B 228 -8.231 2.244 -1.220 1.00 15.00 C ATOM 637 O LEU B 228 -7.146 2.819 -1.232 1.00 15.00 O ATOM 638 CB LEU B 228 -8.306 -0.225 -1.583 1.00 15.00 C ATOM 639 CG LEU B 228 -9.020 -1.399 -2.260 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.749 -2.690 -1.505 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.517 -1.139 -2.346 1.00 15.00 C ATOM 0 H LEU B 228 -6.788 1.728 -3.223 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.559 1.226 -2.561 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.237 -0.435 -1.564 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.639 -0.169 -0.546 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.630 -1.500 -3.273 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.263 -3.515 -1.998 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.677 -2.886 -1.493 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.112 -2.596 -0.482 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -11.006 -1.984 -2.830 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.922 -1.011 -1.342 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.696 -0.235 -2.927 1.00 15.00 H new ATOM 653 N PRO B 229 -9.204 2.620 -0.383 1.00 15.00 N ATOM 654 CA PRO B 229 -8.890 3.363 0.826 1.00 15.00 C ATOM 655 C PRO B 229 -8.593 2.340 1.923 1.00 15.00 C ATOM 656 O PRO B 229 -9.158 1.242 1.926 1.00 15.00 O ATOM 657 CB PRO B 229 -10.182 4.135 1.137 1.00 15.00 C ATOM 658 CG PRO B 229 -11.168 3.748 0.078 1.00 15.00 C ATOM 659 CD PRO B 229 -10.656 2.484 -0.557 1.00 15.00 C ATOM 0 HA PRO B 229 -8.036 4.034 0.739 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.557 3.882 2.129 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.004 5.210 1.128 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.156 3.590 0.510 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.268 4.540 -0.664 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -11.044 1.593 -0.063 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.936 2.413 -1.608 1.00 15.00 H new ATOM 667 N PRO B 230 -7.737 2.688 2.892 1.00 15.00 N ATOM 668 CA PRO B 230 -6.778 1.750 3.484 1.00 15.00 C ATOM 669 C PRO B 230 -7.296 0.954 4.670 1.00 15.00 C ATOM 670 O PRO B 230 -8.145 1.402 5.446 1.00 15.00 O ATOM 671 CB PRO B 230 -5.647 2.678 3.950 1.00 15.00 C ATOM 672 CG PRO B 230 -6.085 4.078 3.632 1.00 15.00 C ATOM 673 CD PRO B 230 -7.572 4.019 3.460 1.00 15.00 C ATOM 0 HA PRO B 230 -6.503 0.983 2.760 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.465 2.562 5.018 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.714 2.438 3.440 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.812 4.763 4.434 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.602 4.441 2.725 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.101 4.131 4.407 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -7.941 4.799 2.794 1.00 15.00 H new ATOM 681 N GLU B 231 -6.727 -0.244 4.790 1.00 15.00 N ATOM 682 CA GLU B 231 -7.319 -1.331 5.568 1.00 15.00 C ATOM 683 C GLU B 231 -6.478 -1.705 6.780 1.00 15.00 C ATOM 684 O GLU B 231 -5.260 -1.544 6.795 1.00 15.00 O ATOM 685 CB GLU B 231 -7.588 -2.565 4.690 1.00 15.00 C ATOM 686 CG GLU B 231 -6.483 -2.928 3.725 1.00 15.00 C ATOM 687 CD GLU B 231 -5.637 -4.096 4.190 1.00 15.00 C ATOM 688 OE1 GLU B 231 -4.642 -3.868 4.896 1.00 15.00 O ATOM 689 OE2 GLU B 231 -5.964 -5.248 3.826 1.00 15.00 O1- ATOM 0 H GLU B 231 -5.840 -0.489 4.349 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.273 -0.960 5.942 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.774 -3.419 5.341 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.502 -2.393 4.121 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -6.921 -3.169 2.757 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.841 -2.060 3.577 1.00 15.00 H new ATOM 696 N ASP B 232 -7.164 -2.183 7.800 1.00 15.00 N ATOM 697 CA ASP B 232 -6.545 -2.476 9.092 1.00 15.00 C ATOM 698 C ASP B 232 -6.689 -3.957 9.502 1.00 15.00 C ATOM 699 O ASP B 232 -5.728 -4.539 10.011 1.00 15.00 O ATOM 700 CB ASP B 232 -7.128 -1.567 10.179 1.00 15.00 C ATOM 701 CG ASP B 232 -6.531 -1.826 11.548 1.00 15.00 C ATOM 702 OD1 ASP B 232 -5.475 -1.242 11.864 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -7.134 -2.591 12.330 1.00 15.00 O ATOM 0 H ASP B 232 -8.164 -2.381 7.764 1.00 15.00 H new ATOM 0 HA ASP B 232 -5.479 -2.279 8.983 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -6.957 -0.526 9.905 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.207 -1.711 10.226 1.00 15.00 H new ATOM 708 N PRO B 233 -7.887 -4.580 9.350 1.00 15.00 N ATOM 709 CA PRO B 233 -8.093 -5.994 9.712 1.00 15.00 C ATOM 710 C PRO B 233 -7.179 -6.946 8.942 1.00 15.00 C ATOM 711 O PRO B 233 -7.346 -7.076 7.712 1.00 15.00 O ATOM 712 CB PRO B 233 -9.563 -6.262 9.356 1.00 15.00 C ATOM 713 CG PRO B 233 -9.945 -5.163 8.429 1.00 15.00 C ATOM 714 CD PRO B 233 -9.137 -3.973 8.853 1.00 15.00 C ATOM 715 OXT PRO B 233 -6.314 -7.582 9.582 1.00 15.00 O ATOM 0 HA PRO B 233 -7.859 -6.167 10.762 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -9.682 -7.236 8.882 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -10.191 -6.262 10.247 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.732 -5.432 7.394 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -11.013 -4.953 8.490 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.953 -3.293 8.021 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -9.642 -3.398 9.629 1.00 15.00 H new TER 723 PRO B 233