USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=14 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 :FLIP no HE2:sc= 0.503 F(o=-1.9,f=0.37) USER MOD Set 1.2: B 227 TYR OH : rot -72:sc= -0.137 USER MOD Set 2.1: A 252 LYS NZ :NH3+ -156:sc= 1.41 (180deg=0.627) USER MOD Set 2.2: A 253 ASN : amide:sc= 1.17 K(o=2.6,f=-3.3) USER MOD Set 3.1: A 238 GLN :FLIP amide:sc= -0.18 F(o=-2.1!,f=-0.18) USER MOD Set 3.2: A 248 TYR OH : rot 130:sc= 0 USER MOD Single : A 240 MET CE :methyl -128:sc= -0.0608 (180deg=-1.56!) USER MOD Single : A 241 THR OG1 : rot 65:sc= 1.21 USER MOD Single : A 242 GLN :FLIP amide:sc= -0.847 F(o=-4.1!,f=-0.85) USER MOD Single : A 247 TYR OH : rot 137:sc= -2.84! USER MOD Single : A 250 ASN : amide:sc= -9.33! C(o=-9.3!,f=-24!) USER MOD Single : A 254 LYS NZ :NH3+ -170:sc= -0.0139 (180deg=-0.147) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 256 THR OG1 : rot -109:sc= -0.405 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 31:sc= 0.413 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 8.415 6.228 6.758 1.00 15.00 N ATOM 9 CA PRO A 231 7.972 7.522 6.282 1.00 15.00 C ATOM 10 C PRO A 231 7.663 7.451 4.797 1.00 15.00 C ATOM 11 O PRO A 231 8.563 7.219 3.987 1.00 15.00 O ATOM 12 CB PRO A 231 9.211 8.394 6.544 1.00 15.00 C ATOM 13 CG PRO A 231 10.366 7.425 6.700 1.00 15.00 C ATOM 14 CD PRO A 231 9.816 6.049 6.404 1.00 15.00 C ATOM 0 HA PRO A 231 7.066 7.894 6.760 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.387 9.084 5.718 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.082 8.998 7.442 1.00 15.00 H new ATOM 0 HG2 PRO A 231 11.176 7.674 6.015 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.776 7.470 7.709 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.945 5.770 5.358 1.00 15.00 H new ATOM 0 HD3 PRO A 231 10.297 5.275 7.002 1.00 15.00 H new ATOM 22 N LEU A 232 6.407 7.605 4.418 1.00 15.00 N ATOM 23 CA LEU A 232 6.047 7.258 3.056 1.00 15.00 C ATOM 24 C LEU A 232 6.430 8.366 2.102 1.00 15.00 C ATOM 25 O LEU A 232 6.588 9.515 2.511 1.00 15.00 O ATOM 26 CB LEU A 232 4.564 6.914 2.858 1.00 15.00 C ATOM 27 CG LEU A 232 3.997 5.764 3.704 1.00 15.00 C ATOM 28 CD1 LEU A 232 5.067 5.074 4.544 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.883 6.255 4.597 1.00 15.00 C ATOM 0 H LEU A 232 5.648 7.953 5.005 1.00 15.00 H new ATOM 0 HA LEU A 232 6.610 6.350 2.839 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.978 7.809 3.066 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.410 6.669 1.807 1.00 15.00 H new ATOM 0 HG LEU A 232 3.603 5.028 3.003 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.613 4.269 5.122 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.834 4.661 3.889 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.520 5.797 5.222 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.496 5.424 5.187 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.265 7.027 5.265 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.082 6.669 3.985 1.00 15.00 H new ATOM 41 N PRO A 233 6.544 8.044 0.808 1.00 15.00 N ATOM 42 CA PRO A 233 6.971 9.015 -0.188 1.00 15.00 C ATOM 43 C PRO A 233 5.975 10.166 -0.330 1.00 15.00 C ATOM 44 O PRO A 233 6.341 11.336 -0.240 1.00 15.00 O ATOM 45 CB PRO A 233 7.023 8.194 -1.472 1.00 15.00 C ATOM 46 CG PRO A 233 7.087 6.756 -1.036 1.00 15.00 C ATOM 47 CD PRO A 233 6.252 6.726 0.199 1.00 15.00 C ATOM 0 HA PRO A 233 7.919 9.486 0.073 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.143 8.377 -2.089 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.894 8.460 -2.071 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.694 6.087 -1.802 1.00 15.00 H new ATOM 0 HG3 PRO A 233 8.112 6.443 -0.835 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.193 6.609 -0.029 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.529 5.903 0.858 1.00 15.00 H new ATOM 55 N ASP A 234 4.714 9.818 -0.552 1.00 15.00 N ATOM 56 CA ASP A 234 3.641 10.806 -0.666 1.00 15.00 C ATOM 57 C ASP A 234 2.873 10.896 0.647 1.00 15.00 C ATOM 58 O ASP A 234 2.021 11.767 0.831 1.00 15.00 O ATOM 59 CB ASP A 234 2.662 10.436 -1.794 1.00 15.00 C ATOM 60 CG ASP A 234 3.324 10.294 -3.150 1.00 15.00 C ATOM 61 OD1 ASP A 234 3.845 9.199 -3.446 1.00 15.00 O ATOM 62 OD2 ASP A 234 3.305 11.268 -3.934 1.00 15.00 O1- ATOM 0 H ASP A 234 4.404 8.852 -0.658 1.00 15.00 H new ATOM 0 HA ASP A 234 4.098 11.768 -0.898 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.167 9.499 -1.541 1.00 15.00 H new ATOM 0 HB3 ASP A 234 1.887 11.200 -1.856 1.00 15.00 H new ATOM 67 N GLY A 235 3.161 9.963 1.545 1.00 15.00 N ATOM 68 CA GLY A 235 2.379 9.830 2.759 1.00 15.00 C ATOM 69 C GLY A 235 1.203 8.903 2.539 1.00 15.00 C ATOM 70 O GLY A 235 0.065 9.232 2.863 1.00 15.00 O ATOM 0 H GLY A 235 3.925 9.294 1.454 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.007 9.444 3.562 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.022 10.810 3.077 1.00 15.00 H new ATOM 74 N TRP A 236 1.494 7.738 1.986 1.00 15.00 N ATOM 75 CA TRP A 236 0.466 6.812 1.553 1.00 15.00 C ATOM 76 C TRP A 236 0.581 5.463 2.233 1.00 15.00 C ATOM 77 O TRP A 236 1.675 4.967 2.435 1.00 15.00 O ATOM 78 CB TRP A 236 0.472 6.676 0.055 1.00 15.00 C ATOM 79 CG TRP A 236 1.785 6.416 -0.632 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.874 7.243 -0.797 1.00 15.00 C ATOM 81 CD2 TRP A 236 2.105 5.229 -1.350 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.749 6.658 -1.637 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.333 5.420 -1.959 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.472 4.031 -1.553 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.931 4.457 -2.756 1.00 15.00 C ATOM 86 CZ3 TRP A 236 2.093 3.089 -2.350 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.296 3.299 -2.931 1.00 15.00 C ATOM 0 H TRP A 236 2.446 7.410 1.826 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.495 7.229 1.855 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.207 5.865 -0.208 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.053 7.591 -0.364 1.00 15.00 H new ATOM 0 HD1 TRP A 236 3.005 8.207 -0.328 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.606 7.092 -1.980 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.512 3.828 -1.101 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.887 4.640 -3.223 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.597 2.144 -2.516 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.743 2.526 -3.538 1.00 15.00 H new ATOM 98 N GLU A 237 -0.535 4.778 2.409 1.00 15.00 N ATOM 99 CA GLU A 237 -0.718 3.948 3.584 1.00 15.00 C ATOM 100 C GLU A 237 -0.203 2.550 3.392 1.00 15.00 C ATOM 101 O GLU A 237 -0.425 1.874 2.383 1.00 15.00 O ATOM 102 CB GLU A 237 -2.205 3.898 3.947 1.00 15.00 C ATOM 103 CG GLU A 237 -2.592 2.906 5.045 1.00 15.00 C ATOM 104 CD GLU A 237 -2.026 3.279 6.403 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.797 3.208 6.587 1.00 15.00 O ATOM 106 OE2 GLU A 237 -2.816 3.657 7.294 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.321 4.780 1.759 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.140 4.398 4.391 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.517 4.895 4.259 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.771 3.654 3.048 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.679 2.852 5.112 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.239 1.912 4.770 1.00 15.00 H new ATOM 113 N GLN A 238 0.475 2.172 4.447 1.00 15.00 N ATOM 114 CA GLN A 238 1.181 0.925 4.581 1.00 15.00 C ATOM 115 C GLN A 238 0.346 0.012 5.453 1.00 15.00 C ATOM 116 O GLN A 238 0.393 0.087 6.682 1.00 15.00 O ATOM 117 CB GLN A 238 2.546 1.191 5.221 1.00 15.00 C ATOM 118 CG GLN A 238 3.362 -0.045 5.525 1.00 15.00 C ATOM 119 CD GLN A 238 4.470 0.231 6.525 1.00 15.00 C ATOM 120 OE1 GLN A 238 4.216 1.152 7.441 1.00 15.00 O flip ATOM 121 NE2 GLN A 238 5.533 -0.388 6.488 1.00 15.00 N flip ATOM 0 H GLN A 238 0.552 2.758 5.278 1.00 15.00 H new ATOM 0 HA GLN A 238 1.343 0.455 3.611 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.123 1.834 4.556 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.394 1.745 6.148 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.707 -0.823 5.917 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.796 -0.428 4.601 1.00 15.00 H new ATOM 0 HE21 GLN A 238 5.689 -1.090 5.765 1.00 15.00 H new ATOM 0 HE22 GLN A 238 6.258 -0.199 7.180 1.00 15.00 H new ATOM 130 N ALA A 239 -0.468 -0.795 4.818 1.00 15.00 N ATOM 131 CA ALA A 239 -1.478 -1.544 5.529 1.00 15.00 C ATOM 132 C ALA A 239 -1.251 -3.036 5.420 1.00 15.00 C ATOM 133 O ALA A 239 -0.707 -3.525 4.427 1.00 15.00 O ATOM 134 CB ALA A 239 -2.850 -1.172 5.008 1.00 15.00 C ATOM 0 H ALA A 239 -0.452 -0.951 3.810 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.412 -1.286 6.586 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.610 -1.739 5.546 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -3.019 -0.106 5.157 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.910 -1.403 3.945 1.00 15.00 H new ATOM 140 N MET A 240 -1.664 -3.754 6.446 1.00 15.00 N ATOM 141 CA MET A 240 -1.522 -5.192 6.469 1.00 15.00 C ATOM 142 C MET A 240 -2.749 -5.825 5.856 1.00 15.00 C ATOM 143 O MET A 240 -3.851 -5.700 6.386 1.00 15.00 O ATOM 144 CB MET A 240 -1.340 -5.719 7.898 1.00 15.00 C ATOM 145 CG MET A 240 -0.130 -5.167 8.636 1.00 15.00 C ATOM 146 SD MET A 240 -0.330 -3.442 9.125 1.00 15.00 S ATOM 147 CE MET A 240 1.224 -3.153 9.963 1.00 15.00 C ATOM 0 H MET A 240 -2.103 -3.360 7.278 1.00 15.00 H new ATOM 0 HA MET A 240 -0.632 -5.453 5.896 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.236 -5.484 8.473 1.00 15.00 H new ATOM 0 HB3 MET A 240 -1.260 -6.805 7.861 1.00 15.00 H new ATOM 0 HG2 MET A 240 0.054 -5.772 9.524 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.750 -5.259 8.000 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.032 -2.735 10.951 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.763 -4.095 10.066 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.825 -2.453 9.383 1.00 15.00 H new ATOM 157 N THR A 241 -2.570 -6.481 4.731 1.00 15.00 N ATOM 158 CA THR A 241 -3.664 -7.193 4.119 1.00 15.00 C ATOM 159 C THR A 241 -3.670 -8.612 4.670 1.00 15.00 C ATOM 160 O THR A 241 -2.606 -9.149 4.994 1.00 15.00 O ATOM 161 CB THR A 241 -3.567 -7.186 2.573 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.865 -7.400 2.010 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.610 -8.250 2.055 1.00 15.00 C ATOM 0 H THR A 241 -1.685 -6.535 4.227 1.00 15.00 H new ATOM 0 HA THR A 241 -4.603 -6.695 4.362 1.00 15.00 H new ATOM 0 HB THR A 241 -3.178 -6.213 2.272 1.00 15.00 H new ATOM 0 HG1 THR A 241 -5.450 -6.648 2.241 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.574 -8.208 0.966 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.613 -8.070 2.458 1.00 15.00 H new ATOM 0 HG23 THR A 241 -2.956 -9.235 2.369 1.00 15.00 H new ATOM 171 N GLN A 242 -4.858 -9.210 4.772 1.00 15.00 N ATOM 172 CA GLN A 242 -5.046 -10.466 5.506 1.00 15.00 C ATOM 173 C GLN A 242 -4.199 -11.592 4.926 1.00 15.00 C ATOM 174 O GLN A 242 -3.861 -12.555 5.616 1.00 15.00 O ATOM 175 CB GLN A 242 -6.512 -10.883 5.469 1.00 15.00 C ATOM 176 CG GLN A 242 -7.517 -9.750 5.686 1.00 15.00 C ATOM 177 CD GLN A 242 -7.446 -9.058 7.048 1.00 15.00 C ATOM 178 OE1 GLN A 242 -6.254 -8.865 7.588 1.00 15.00 O flip ATOM 179 NE2 GLN A 242 -8.475 -8.653 7.588 1.00 15.00 N flip ATOM 0 H GLN A 242 -5.712 -8.842 4.352 1.00 15.00 H new ATOM 0 HA GLN A 242 -4.731 -10.289 6.534 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -6.716 -11.349 4.505 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -6.676 -11.644 6.232 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -7.366 -9.001 4.909 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -8.522 -10.149 5.553 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -9.380 -8.817 7.148 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -8.422 -8.154 8.476 1.00 15.00 H new ATOM 188 N ASP A 243 -3.901 -11.472 3.643 1.00 15.00 N ATOM 189 CA ASP A 243 -3.000 -12.394 2.946 1.00 15.00 C ATOM 190 C ASP A 243 -1.607 -12.392 3.580 1.00 15.00 C ATOM 191 O ASP A 243 -0.789 -13.281 3.345 1.00 15.00 O ATOM 192 CB ASP A 243 -2.876 -11.971 1.494 1.00 15.00 C ATOM 193 CG ASP A 243 -2.159 -12.999 0.645 1.00 15.00 C ATOM 194 OD1 ASP A 243 -2.728 -14.092 0.430 1.00 15.00 O ATOM 195 OD2 ASP A 243 -1.037 -12.719 0.185 1.00 15.00 O1- ATOM 0 H ASP A 243 -4.275 -10.733 3.048 1.00 15.00 H new ATOM 0 HA ASP A 243 -3.417 -13.399 3.020 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -3.871 -11.798 1.084 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -2.340 -11.024 1.440 1.00 15.00 H new ATOM 200 N GLY A 244 -1.360 -11.376 4.380 1.00 15.00 N ATOM 201 CA GLY A 244 -0.107 -11.250 5.097 1.00 15.00 C ATOM 202 C GLY A 244 0.935 -10.480 4.320 1.00 15.00 C ATOM 203 O GLY A 244 2.116 -10.826 4.332 1.00 15.00 O ATOM 0 H GLY A 244 -2.019 -10.617 4.552 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -0.287 -10.751 6.049 1.00 15.00 H new ATOM 0 HA3 GLY A 244 0.277 -12.244 5.326 1.00 15.00 H new ATOM 207 N GLU A 245 0.499 -9.414 3.664 1.00 15.00 N ATOM 208 CA GLU A 245 1.417 -8.520 2.967 1.00 15.00 C ATOM 209 C GLU A 245 1.218 -7.102 3.457 1.00 15.00 C ATOM 210 O GLU A 245 0.083 -6.644 3.615 1.00 15.00 O ATOM 211 CB GLU A 245 1.216 -8.548 1.449 1.00 15.00 C ATOM 212 CG GLU A 245 1.373 -9.923 0.817 1.00 15.00 C ATOM 213 CD GLU A 245 2.722 -10.557 1.092 1.00 15.00 C ATOM 214 OE1 GLU A 245 3.746 -9.842 1.054 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 2.763 -11.777 1.355 1.00 15.00 O ATOM 0 H GLU A 245 -0.483 -9.146 3.599 1.00 15.00 H new ATOM 0 HA GLU A 245 2.428 -8.867 3.182 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.220 -8.168 1.220 1.00 15.00 H new ATOM 0 HB3 GLU A 245 1.931 -7.866 0.988 1.00 15.00 H new ATOM 0 HG2 GLU A 245 0.587 -10.579 1.191 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.231 -9.839 -0.260 1.00 15.00 H new ATOM 222 N ILE A 246 2.316 -6.411 3.685 1.00 15.00 N ATOM 223 CA ILE A 246 2.265 -5.029 4.106 1.00 15.00 C ATOM 224 C ILE A 246 2.358 -4.108 2.878 1.00 15.00 C ATOM 225 O ILE A 246 3.440 -3.785 2.399 1.00 15.00 O ATOM 226 CB ILE A 246 3.377 -4.731 5.142 1.00 15.00 C ATOM 227 CG1 ILE A 246 3.316 -3.276 5.582 1.00 15.00 C ATOM 228 CG2 ILE A 246 4.761 -5.095 4.619 1.00 15.00 C ATOM 229 CD1 ILE A 246 2.158 -2.987 6.509 1.00 15.00 C ATOM 0 H ILE A 246 3.259 -6.788 3.585 1.00 15.00 H new ATOM 0 HA ILE A 246 1.312 -4.836 4.599 1.00 15.00 H new ATOM 0 HB ILE A 246 3.196 -5.363 6.012 1.00 15.00 H new ATOM 0 HG12 ILE A 246 4.248 -3.014 6.082 1.00 15.00 H new ATOM 0 HG13 ILE A 246 3.237 -2.639 4.701 1.00 15.00 H new ATOM 0 HG21 ILE A 246 5.508 -4.869 5.379 1.00 15.00 H new ATOM 0 HG22 ILE A 246 4.793 -6.159 4.384 1.00 15.00 H new ATOM 0 HG23 ILE A 246 4.973 -4.518 3.719 1.00 15.00 H new ATOM 0 HD11 ILE A 246 2.169 -1.933 6.787 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.221 -3.219 6.004 1.00 15.00 H new ATOM 0 HD13 ILE A 246 2.248 -3.600 7.406 1.00 15.00 H new ATOM 241 N TYR A 247 1.197 -3.710 2.372 1.00 15.00 N ATOM 242 CA TYR A 247 1.095 -3.047 1.073 1.00 15.00 C ATOM 243 C TYR A 247 1.085 -1.518 1.210 1.00 15.00 C ATOM 244 O TYR A 247 0.647 -0.974 2.225 1.00 15.00 O ATOM 245 CB TYR A 247 -0.157 -3.546 0.308 1.00 15.00 C ATOM 246 CG TYR A 247 -1.471 -2.942 0.774 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.696 -1.575 0.697 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.479 -3.740 1.291 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.862 -1.014 1.123 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.669 -3.186 1.727 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.852 -1.815 1.646 1.00 15.00 C ATOM 252 OH TYR A 247 -5.037 -1.251 2.060 1.00 15.00 O ATOM 0 H TYR A 247 0.303 -3.836 2.846 1.00 15.00 H new ATOM 0 HA TYR A 247 1.982 -3.310 0.496 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.029 -3.328 -0.752 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.217 -4.630 0.405 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -0.926 -0.938 0.288 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.334 -4.808 1.354 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.009 0.054 1.051 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.449 -3.817 2.127 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.786 -1.807 1.760 1.00 15.00 H new ATOM 262 N TYR A 248 1.590 -0.854 0.186 1.00 15.00 N ATOM 263 CA TYR A 248 1.508 0.598 0.032 1.00 15.00 C ATOM 264 C TYR A 248 0.488 0.980 -1.047 1.00 15.00 C ATOM 265 O TYR A 248 0.621 0.577 -2.197 1.00 15.00 O ATOM 266 CB TYR A 248 2.889 1.123 -0.287 1.00 15.00 C ATOM 267 CG TYR A 248 3.721 1.337 0.948 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.299 0.260 1.607 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.955 2.617 1.444 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.078 0.450 2.724 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.741 2.807 2.548 1.00 15.00 C ATOM 272 CZ TYR A 248 5.303 1.725 3.190 1.00 15.00 C ATOM 273 OH TYR A 248 6.096 1.915 4.298 1.00 15.00 O ATOM 0 H TYR A 248 2.080 -1.314 -0.581 1.00 15.00 H new ATOM 0 HA TYR A 248 1.159 1.052 0.959 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.398 0.421 -0.947 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.800 2.064 -0.830 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.134 -0.741 1.237 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.511 3.470 0.952 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.511 -0.398 3.233 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.921 3.806 2.917 1.00 15.00 H new ATOM 0 HH TYR A 248 6.772 2.598 4.104 1.00 15.00 H new ATOM 283 N ILE A 249 -0.540 1.754 -0.676 1.00 15.00 N ATOM 284 CA ILE A 249 -1.465 2.321 -1.671 1.00 15.00 C ATOM 285 C ILE A 249 -1.652 3.818 -1.467 1.00 15.00 C ATOM 286 O ILE A 249 -1.635 4.317 -0.336 1.00 15.00 O ATOM 287 CB ILE A 249 -2.863 1.665 -1.674 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.564 1.846 -0.328 1.00 15.00 C ATOM 289 CG2 ILE A 249 -2.774 0.201 -2.049 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.868 1.089 -0.233 1.00 15.00 C ATOM 0 H ILE A 249 -0.752 2.000 0.291 1.00 15.00 H new ATOM 0 HA ILE A 249 -0.990 2.115 -2.630 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.465 2.170 -2.430 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.899 1.514 0.469 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.754 2.907 -0.163 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.772 -0.237 -2.044 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.341 0.106 -3.045 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.144 -0.321 -1.329 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.316 1.258 0.746 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.549 1.438 -1.009 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.681 0.024 -0.367 1.00 15.00 H new ATOM 302 N ASN A 250 -1.832 4.530 -2.570 1.00 15.00 N ATOM 303 CA ASN A 250 -2.013 5.974 -2.532 1.00 15.00 C ATOM 304 C ASN A 250 -3.119 6.396 -3.489 1.00 15.00 C ATOM 305 O ASN A 250 -3.282 5.796 -4.558 1.00 15.00 O ATOM 306 CB ASN A 250 -0.710 6.675 -2.900 1.00 15.00 C ATOM 307 CG ASN A 250 -0.832 8.184 -2.864 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.179 8.786 -3.853 1.00 15.00 O ATOM 309 ND2 ASN A 250 -0.564 8.802 -1.726 1.00 15.00 N ATOM 0 H ASN A 250 -1.857 4.128 -3.507 1.00 15.00 H new ATOM 0 HA ASN A 250 -2.298 6.262 -1.520 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.075 6.361 -2.212 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.403 6.362 -3.898 1.00 15.00 H new ATOM 0 HD21 ASN A 250 -0.648 9.817 -1.665 1.00 15.00 H new ATOM 0 HD22 ASN A 250 -0.273 8.264 -0.910 1.00 15.00 H new ATOM 316 N HIS A 251 -3.840 7.453 -3.112 1.00 15.00 N ATOM 317 CA HIS A 251 -5.020 7.901 -3.851 1.00 15.00 C ATOM 318 C HIS A 251 -4.696 8.916 -4.951 1.00 15.00 C ATOM 319 O HIS A 251 -5.510 9.141 -5.843 1.00 15.00 O ATOM 320 CB HIS A 251 -6.067 8.458 -2.880 1.00 15.00 C ATOM 321 CG HIS A 251 -6.817 7.390 -2.127 1.00 15.00 C ATOM 322 ND1 HIS A 251 -8.124 7.036 -2.168 1.00 15.00 N flip ATOM 323 CD2 HIS A 251 -6.223 6.521 -1.229 1.00 15.00 C flip ATOM 324 CE1 HIS A 251 -8.296 5.974 -1.312 1.00 15.00 C flip ATOM 325 NE2 HIS A 251 -7.132 5.687 -0.760 1.00 15.00 N flip ATOM 0 H HIS A 251 -3.624 8.019 -2.291 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.427 7.028 -4.361 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.574 9.117 -2.165 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.779 9.067 -3.436 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -8.850 7.478 -2.732 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -5.178 6.525 -0.955 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -9.227 5.461 -1.123 1.00 15.00 H new ATOM 334 N LYS A 252 -3.524 9.540 -4.896 1.00 15.00 N ATOM 335 CA LYS A 252 -3.080 10.380 -6.008 1.00 15.00 C ATOM 336 C LYS A 252 -2.150 9.578 -6.909 1.00 15.00 C ATOM 337 O LYS A 252 -1.841 9.984 -8.028 1.00 15.00 O ATOM 338 CB LYS A 252 -2.391 11.679 -5.543 1.00 15.00 C ATOM 339 CG LYS A 252 -1.203 11.474 -4.613 1.00 15.00 C ATOM 340 CD LYS A 252 -0.322 12.712 -4.525 1.00 15.00 C ATOM 341 CE LYS A 252 0.550 12.868 -5.766 1.00 15.00 C ATOM 342 NZ LYS A 252 1.531 11.754 -5.901 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.874 9.484 -4.112 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.968 10.685 -6.562 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.056 12.230 -6.421 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -3.127 12.303 -5.037 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -1.563 11.215 -3.617 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -0.609 10.631 -4.966 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -0.947 13.597 -4.405 1.00 15.00 H new ATOM 0 HD3 LYS A 252 0.311 12.647 -3.640 1.00 15.00 H new ATOM 0 HE2 LYS A 252 -0.083 12.903 -6.652 1.00 15.00 H new ATOM 0 HE3 LYS A 252 1.083 13.817 -5.718 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 2.340 12.071 -6.473 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 1.864 11.469 -4.958 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 1.074 10.944 -6.366 1.00 15.00 H new ATOM 356 N ASN A 253 -1.688 8.444 -6.394 1.00 15.00 N ATOM 357 CA ASN A 253 -0.893 7.512 -7.179 1.00 15.00 C ATOM 358 C ASN A 253 -1.805 6.471 -7.818 1.00 15.00 C ATOM 359 O ASN A 253 -1.449 5.852 -8.820 1.00 15.00 O ATOM 360 CB ASN A 253 0.206 6.836 -6.325 1.00 15.00 C ATOM 361 CG ASN A 253 1.272 7.824 -5.871 1.00 15.00 C ATOM 362 OD1 ASN A 253 1.464 8.877 -6.483 1.00 15.00 O ATOM 363 ND2 ASN A 253 1.991 7.477 -4.812 1.00 15.00 N ATOM 0 H ASN A 253 -1.852 8.149 -5.432 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.385 8.072 -7.964 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.250 6.370 -5.452 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.674 6.039 -6.903 1.00 15.00 H new ATOM 0 HD21 ASN A 253 2.734 8.090 -4.477 1.00 15.00 H new ATOM 0 HD22 ASN A 253 1.801 6.597 -4.333 1.00 15.00 H new ATOM 370 N LYS A 254 -2.982 6.297 -7.211 1.00 15.00 N ATOM 371 CA LYS A 254 -4.023 5.388 -7.705 1.00 15.00 C ATOM 372 C LYS A 254 -3.465 3.981 -7.924 1.00 15.00 C ATOM 373 O LYS A 254 -3.799 3.307 -8.901 1.00 15.00 O ATOM 374 CB LYS A 254 -4.633 5.934 -9.006 1.00 15.00 C ATOM 375 CG LYS A 254 -5.904 5.208 -9.437 1.00 15.00 C ATOM 376 CD LYS A 254 -6.484 5.781 -10.721 1.00 15.00 C ATOM 377 CE LYS A 254 -7.784 5.082 -11.104 1.00 15.00 C ATOM 378 NZ LYS A 254 -7.574 3.641 -11.398 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.243 6.787 -6.355 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.806 5.325 -6.950 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.856 6.993 -8.876 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.894 5.859 -9.803 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.686 4.150 -9.579 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.647 5.276 -8.642 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -6.666 6.848 -10.595 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.760 5.674 -11.529 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -8.504 5.185 -10.292 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -8.215 5.571 -11.977 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -8.439 3.242 -11.815 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.786 3.535 -12.068 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -7.350 3.136 -10.517 1.00 15.00 H new ATOM 392 N THR A 255 -2.645 3.512 -6.998 1.00 15.00 N ATOM 393 CA THR A 255 -2.009 2.213 -7.183 1.00 15.00 C ATOM 394 C THR A 255 -1.713 1.482 -5.911 1.00 15.00 C ATOM 395 O THR A 255 -1.505 2.062 -4.841 1.00 15.00 O ATOM 396 CB THR A 255 -0.731 2.229 -8.042 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.006 1.001 -7.916 1.00 15.00 O ATOM 398 CG2 THR A 255 0.187 3.390 -7.689 1.00 15.00 C ATOM 0 H THR A 255 -2.407 3.994 -6.131 1.00 15.00 H new ATOM 0 HA THR A 255 -2.782 1.674 -7.730 1.00 15.00 H new ATOM 0 HB THR A 255 -1.060 2.353 -9.074 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.799 1.038 -8.473 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.074 3.358 -8.322 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.339 4.331 -7.849 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.484 3.314 -6.643 1.00 15.00 H new ATOM 406 N THR A 256 -1.735 0.189 -6.086 1.00 15.00 N ATOM 407 CA THR A 256 -1.460 -0.754 -5.025 1.00 15.00 C ATOM 408 C THR A 256 -0.099 -1.406 -5.252 1.00 15.00 C ATOM 409 O THR A 256 0.051 -2.302 -6.086 1.00 15.00 O ATOM 410 CB THR A 256 -2.548 -1.838 -4.945 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.832 -1.216 -4.830 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.311 -2.754 -3.750 1.00 15.00 C ATOM 0 H THR A 256 -1.947 -0.251 -6.982 1.00 15.00 H new ATOM 0 HA THR A 256 -1.453 -0.209 -4.081 1.00 15.00 H new ATOM 0 HB THR A 256 -2.510 -2.440 -5.853 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.183 -1.355 -3.926 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.092 -3.513 -3.713 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.339 -3.238 -3.850 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.332 -2.167 -2.832 1.00 15.00 H new ATOM 420 N SER A 257 0.888 -0.925 -4.525 1.00 15.00 N ATOM 421 CA SER A 257 2.249 -1.414 -4.624 1.00 15.00 C ATOM 422 C SER A 257 2.537 -2.308 -3.417 1.00 15.00 C ATOM 423 O SER A 257 2.112 -1.997 -2.308 1.00 15.00 O ATOM 424 CB SER A 257 3.195 -0.206 -4.667 1.00 15.00 C ATOM 425 OG SER A 257 4.498 -0.563 -5.101 1.00 15.00 O ATOM 0 H SER A 257 0.768 -0.177 -3.842 1.00 15.00 H new ATOM 0 HA SER A 257 2.396 -2.003 -5.529 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.785 0.551 -5.336 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.254 0.243 -3.676 1.00 15.00 H new ATOM 0 HG SER A 257 5.068 0.234 -5.116 1.00 15.00 H new ATOM 431 N TRP A 258 3.255 -3.407 -3.629 1.00 15.00 N ATOM 432 CA TRP A 258 3.487 -4.389 -2.567 1.00 15.00 C ATOM 433 C TRP A 258 4.211 -3.800 -1.363 1.00 15.00 C ATOM 434 O TRP A 258 3.643 -3.653 -0.293 1.00 15.00 O ATOM 435 CB TRP A 258 4.327 -5.562 -3.079 1.00 15.00 C ATOM 436 CG TRP A 258 3.552 -6.634 -3.774 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.809 -7.154 -5.004 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.399 -7.320 -3.283 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.907 -8.137 -5.302 1.00 15.00 N ATOM 440 CE2 TRP A 258 2.027 -8.252 -4.268 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.645 -7.244 -2.110 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.944 -9.097 -4.117 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.556 -8.081 -1.970 1.00 15.00 C ATOM 444 CH2 TRP A 258 0.219 -8.999 -2.971 1.00 15.00 C ATOM 0 H TRP A 258 3.686 -3.642 -4.523 1.00 15.00 H new ATOM 0 HA TRP A 258 2.496 -4.722 -2.259 1.00 15.00 H new ATOM 0 HB2 TRP A 258 5.082 -5.177 -3.764 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.857 -6.005 -2.236 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.611 -6.836 -5.653 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.895 -8.693 -6.157 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.908 -6.546 -1.329 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.682 -9.811 -4.884 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.045 -8.026 -1.074 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -0.636 -9.644 -2.830 1.00 15.00 H new ATOM 455 N LEU A 259 5.461 -3.458 -1.570 1.00 15.00 N ATOM 456 CA LEU A 259 6.402 -3.229 -0.488 1.00 15.00 C ATOM 457 C LEU A 259 6.943 -1.809 -0.458 1.00 15.00 C ATOM 458 O LEU A 259 6.852 -1.078 -1.450 1.00 15.00 O ATOM 459 CB LEU A 259 7.524 -4.246 -0.488 1.00 15.00 C ATOM 460 CG LEU A 259 7.362 -5.354 0.555 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.689 -6.055 0.727 1.00 15.00 C ATOM 462 CD2 LEU A 259 6.893 -4.783 1.887 1.00 15.00 C ATOM 0 H LEU A 259 5.861 -3.329 -2.499 1.00 15.00 H new ATOM 0 HA LEU A 259 5.833 -3.362 0.432 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.589 -4.699 -1.477 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.468 -3.730 -0.311 1.00 15.00 H new ATOM 0 HG LEU A 259 6.607 -6.062 0.213 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.588 -6.848 1.468 1.00 15.00 H new ATOM 0 HD12 LEU A 259 8.999 -6.486 -0.225 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.438 -5.338 1.062 1.00 15.00 H new ATOM 0 HD21 LEU A 259 6.785 -5.590 2.611 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.625 -4.063 2.252 1.00 15.00 H new ATOM 0 HD23 LEU A 259 5.932 -4.286 1.752 1.00 15.00 H new ATOM 474 N ASP A 260 7.499 -1.426 0.696 1.00 15.00 N ATOM 475 CA ASP A 260 7.707 -0.040 1.064 1.00 15.00 C ATOM 476 C ASP A 260 8.587 0.689 0.060 1.00 15.00 C ATOM 477 O ASP A 260 9.729 0.323 -0.205 1.00 15.00 O ATOM 478 CB ASP A 260 8.333 0.027 2.469 1.00 15.00 C ATOM 479 CG ASP A 260 9.637 -0.745 2.606 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.675 -1.933 2.222 1.00 15.00 O1- ATOM 481 OD2 ASP A 260 10.619 -0.162 3.116 1.00 15.00 O ATOM 0 H ASP A 260 7.818 -2.087 1.404 1.00 15.00 H new ATOM 0 HA ASP A 260 6.738 0.459 1.066 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.513 1.071 2.725 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.616 -0.360 3.193 1.00 15.00 H new ATOM 486 N PRO A 261 8.021 1.775 -0.494 1.00 15.00 N ATOM 487 CA PRO A 261 8.550 2.496 -1.633 1.00 15.00 C ATOM 488 C PRO A 261 9.578 3.474 -1.276 1.00 15.00 C ATOM 489 O PRO A 261 10.241 4.153 -2.052 1.00 15.00 O ATOM 490 CB PRO A 261 7.310 3.078 -2.291 1.00 15.00 C ATOM 491 CG PRO A 261 6.469 3.441 -1.106 1.00 15.00 C ATOM 492 CD PRO A 261 6.767 2.399 -0.046 1.00 15.00 C ATOM 0 HA PRO A 261 9.102 1.857 -2.322 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.544 3.947 -2.906 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.813 2.354 -2.937 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.711 4.442 -0.748 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.410 3.442 -1.365 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.878 2.853 0.939 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.963 1.667 0.030 1.00 15.00 H new ATOM 500 N ARG A 262 9.580 3.505 -0.073 1.00 15.00 N ATOM 501 CA ARG A 262 10.323 4.467 0.730 1.00 15.00 C ATOM 502 C ARG A 262 11.731 3.950 1.008 1.00 15.00 C ATOM 503 O ARG A 262 12.587 4.676 1.519 1.00 15.00 O ATOM 504 CB ARG A 262 9.584 4.832 2.035 1.00 15.00 C ATOM 505 CG ARG A 262 9.009 3.661 2.823 1.00 15.00 C ATOM 506 CD ARG A 262 10.080 2.718 3.339 1.00 15.00 C ATOM 507 NE ARG A 262 11.067 3.380 4.186 1.00 15.00 N ATOM 508 CZ ARG A 262 11.939 2.720 4.945 1.00 15.00 C ATOM 509 NH1 ARG A 262 11.972 1.390 4.924 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 12.808 3.387 5.695 1.00 15.00 N ATOM 0 H ARG A 262 9.048 2.843 0.491 1.00 15.00 H new ATOM 0 HA ARG A 262 10.403 5.389 0.154 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.274 5.376 2.681 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.770 5.515 1.790 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.432 4.044 3.665 1.00 15.00 H new ATOM 0 HG3 ARG A 262 8.318 3.106 2.189 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.607 1.914 3.903 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.588 2.257 2.492 1.00 15.00 H new ATOM 0 HE ARG A 262 11.090 4.400 4.197 1.00 15.00 H new ATOM 0 HH11 ARG A 262 11.328 0.873 4.325 1.00 15.00 H new ATOM 0 HH12 ARG A 262 12.641 0.887 5.507 1.00 15.00 H new ATOM 0 HH21 ARG A 262 12.808 4.407 5.690 1.00 15.00 H new ATOM 0 HH22 ARG A 262 13.475 2.879 6.276 1.00 15.00 H new ATOM 524 N LEU A 263 11.950 2.686 0.672 1.00 15.00 N ATOM 525 CA LEU A 263 13.232 2.037 0.883 1.00 15.00 C ATOM 526 C LEU A 263 14.125 2.238 -0.335 1.00 15.00 C ATOM 527 O LEU A 263 15.101 3.010 -0.241 1.00 15.00 O ATOM 528 CB LEU A 263 13.024 0.544 1.143 1.00 15.00 C ATOM 529 CG LEU A 263 14.276 -0.232 1.556 1.00 15.00 C ATOM 530 CD1 LEU A 263 14.800 0.264 2.894 1.00 15.00 C ATOM 531 CD2 LEU A 263 13.973 -1.716 1.624 1.00 15.00 C ATOM 532 OXT LEU A 263 13.826 1.649 -1.394 1.00 15.00 O ATOM 0 H LEU A 263 11.244 2.085 0.247 1.00 15.00 H new ATOM 0 HA LEU A 263 13.717 2.482 1.752 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.273 0.430 1.924 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.617 0.089 0.240 1.00 15.00 H new ATOM 0 HG LEU A 263 15.048 -0.065 0.805 1.00 15.00 H new ATOM 0 HD11 LEU A 263 15.690 -0.302 3.168 1.00 15.00 H new ATOM 0 HD12 LEU A 263 15.052 1.322 2.817 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.034 0.128 3.658 1.00 15.00 H new ATOM 0 HD21 LEU A 263 14.872 -2.258 1.919 1.00 15.00 H new ATOM 0 HD22 LEU A 263 13.186 -1.893 2.357 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.644 -2.065 0.645 1.00 15.00 H new ATOM 545 N THR B 222 1.845 -13.050 -8.297 1.00 15.00 N ATOM 546 CA THR B 222 0.454 -12.777 -7.887 1.00 15.00 C ATOM 547 C THR B 222 0.327 -11.325 -7.424 1.00 15.00 C ATOM 548 O THR B 222 1.087 -10.877 -6.570 1.00 15.00 O ATOM 549 CB THR B 222 0.038 -13.742 -6.760 1.00 15.00 C ATOM 550 OG1 THR B 222 0.536 -15.058 -7.058 1.00 15.00 O ATOM 551 CG2 THR B 222 -1.478 -13.808 -6.615 1.00 15.00 C ATOM 0 HA THR B 222 -0.209 -12.932 -8.738 1.00 15.00 H new ATOM 0 HB THR B 222 0.458 -13.374 -5.824 1.00 15.00 H new ATOM 0 HG1 THR B 222 1.372 -14.985 -7.564 1.00 15.00 H new ATOM 0 HG21 THR B 222 -1.737 -14.498 -5.812 1.00 15.00 H new ATOM 0 HG22 THR B 222 -1.865 -12.816 -6.381 1.00 15.00 H new ATOM 0 HG23 THR B 222 -1.918 -14.158 -7.549 1.00 15.00 H new ATOM 561 N PRO B 223 -0.607 -10.560 -8.015 1.00 15.00 N ATOM 562 CA PRO B 223 -0.797 -9.137 -7.687 1.00 15.00 C ATOM 563 C PRO B 223 -1.433 -8.927 -6.303 1.00 15.00 C ATOM 564 O PRO B 223 -1.976 -9.868 -5.717 1.00 15.00 O ATOM 565 CB PRO B 223 -1.741 -8.652 -8.792 1.00 15.00 C ATOM 566 CG PRO B 223 -2.501 -9.865 -9.200 1.00 15.00 C ATOM 567 CD PRO B 223 -1.546 -11.016 -9.059 1.00 15.00 C ATOM 0 HA PRO B 223 0.149 -8.598 -7.641 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -2.408 -7.871 -8.428 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -1.186 -8.232 -9.631 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.379 -10.006 -8.569 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -2.857 -9.776 -10.226 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.061 -11.930 -8.764 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.032 -11.228 -9.996 1.00 15.00 H new ATOM 575 N PRO B 224 -1.415 -7.681 -5.775 1.00 15.00 N ATOM 576 CA PRO B 224 -1.973 -7.345 -4.474 1.00 15.00 C ATOM 577 C PRO B 224 -3.444 -6.954 -4.625 1.00 15.00 C ATOM 578 O PRO B 224 -3.978 -6.993 -5.737 1.00 15.00 O ATOM 579 CB PRO B 224 -1.105 -6.137 -4.027 1.00 15.00 C ATOM 580 CG PRO B 224 -0.380 -5.675 -5.256 1.00 15.00 C ATOM 581 CD PRO B 224 -0.935 -6.459 -6.411 1.00 15.00 C ATOM 0 HA PRO B 224 -1.953 -8.164 -3.755 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.726 -5.340 -3.617 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.403 -6.428 -3.246 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.524 -4.606 -5.410 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.693 -5.841 -5.157 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -1.740 -5.923 -6.914 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.173 -6.667 -7.162 1.00 15.00 H new ATOM 589 N PRO B 225 -4.131 -6.607 -3.525 1.00 15.00 N ATOM 590 CA PRO B 225 -5.491 -6.061 -3.591 1.00 15.00 C ATOM 591 C PRO B 225 -5.589 -4.927 -4.610 1.00 15.00 C ATOM 592 O PRO B 225 -4.589 -4.279 -4.923 1.00 15.00 O ATOM 593 CB PRO B 225 -5.707 -5.522 -2.175 1.00 15.00 C ATOM 594 CG PRO B 225 -4.866 -6.393 -1.312 1.00 15.00 C ATOM 595 CD PRO B 225 -3.658 -6.747 -2.134 1.00 15.00 C ATOM 0 HA PRO B 225 -6.230 -6.800 -3.901 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.406 -4.477 -2.098 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.757 -5.573 -1.887 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.578 -5.875 -0.398 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.411 -7.289 -1.013 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -2.822 -6.079 -1.926 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.316 -7.761 -1.927 1.00 15.00 H new ATOM 603 N ALA B 226 -6.783 -4.687 -5.131 1.00 15.00 N ATOM 604 CA ALA B 226 -6.988 -3.596 -6.081 1.00 15.00 C ATOM 605 C ALA B 226 -6.703 -2.246 -5.430 1.00 15.00 C ATOM 606 O ALA B 226 -6.378 -2.178 -4.244 1.00 15.00 O ATOM 607 CB ALA B 226 -8.406 -3.625 -6.623 1.00 15.00 C ATOM 0 H ALA B 226 -7.621 -5.227 -4.916 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.291 -3.733 -6.908 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.542 -2.806 -7.329 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.583 -4.574 -7.129 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.112 -3.516 -5.800 1.00 15.00 H new ATOM 613 N TYR B 227 -6.834 -1.170 -6.190 1.00 15.00 N ATOM 614 CA TYR B 227 -6.640 0.155 -5.631 1.00 15.00 C ATOM 615 C TYR B 227 -7.793 0.461 -4.686 1.00 15.00 C ATOM 616 O TYR B 227 -8.970 0.441 -5.056 1.00 15.00 O ATOM 617 CB TYR B 227 -6.486 1.202 -6.736 1.00 15.00 C ATOM 618 CG TYR B 227 -6.762 2.610 -6.283 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.034 3.179 -5.250 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.753 3.367 -6.888 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.287 4.461 -4.829 1.00 15.00 C ATOM 622 CE2 TYR B 227 -8.011 4.655 -6.476 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.275 5.199 -5.449 1.00 15.00 C ATOM 624 OH TYR B 227 -7.533 6.482 -5.043 1.00 15.00 O ATOM 0 H TYR B 227 -7.071 -1.188 -7.182 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.712 0.188 -5.060 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.472 1.151 -7.133 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.162 0.955 -7.554 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.256 2.605 -4.769 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -8.331 2.940 -7.694 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.717 4.889 -4.018 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.786 5.234 -6.956 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.979 6.466 -4.171 1.00 15.00 H new ATOM 634 N LEU B 228 -7.402 0.771 -3.474 1.00 15.00 N ATOM 635 CA LEU B 228 -8.212 0.586 -2.288 1.00 15.00 C ATOM 636 C LEU B 228 -8.093 1.769 -1.338 1.00 15.00 C ATOM 637 O LEU B 228 -7.096 2.488 -1.367 1.00 15.00 O ATOM 638 CB LEU B 228 -7.816 -0.689 -1.534 1.00 15.00 C ATOM 639 CG LEU B 228 -8.523 -1.985 -1.956 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.950 -2.768 -0.726 1.00 15.00 C ATOM 641 CD2 LEU B 228 -9.727 -1.708 -2.842 1.00 15.00 C ATOM 0 H LEU B 228 -6.485 1.171 -3.277 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.244 0.501 -2.630 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -6.742 -0.834 -1.650 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.003 -0.529 -0.472 1.00 15.00 H new ATOM 0 HG LEU B 228 -7.814 -2.576 -2.536 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.451 -3.686 -1.035 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -8.072 -3.016 -0.130 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.634 -2.164 -0.130 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.199 -2.650 -3.119 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.442 -1.089 -2.301 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -9.404 -1.186 -3.743 1.00 15.00 H new ATOM 653 N PRO B 229 -9.124 2.042 -0.536 1.00 15.00 N ATOM 654 CA PRO B 229 -8.928 2.850 0.650 1.00 15.00 C ATOM 655 C PRO B 229 -8.533 1.895 1.775 1.00 15.00 C ATOM 656 O PRO B 229 -8.995 0.751 1.818 1.00 15.00 O ATOM 657 CB PRO B 229 -10.311 3.469 0.910 1.00 15.00 C ATOM 658 CG PRO B 229 -11.241 2.876 -0.106 1.00 15.00 C ATOM 659 CD PRO B 229 -10.537 1.696 -0.723 1.00 15.00 C ATOM 0 HA PRO B 229 -8.162 3.620 0.564 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.651 3.249 1.922 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.274 4.554 0.815 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.174 2.564 0.363 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.497 3.612 -0.868 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.796 0.762 -0.225 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.790 1.577 -1.776 1.00 15.00 H new ATOM 667 N PRO B 230 -7.702 2.351 2.719 1.00 15.00 N ATOM 668 CA PRO B 230 -6.699 1.498 3.355 1.00 15.00 C ATOM 669 C PRO B 230 -7.179 0.753 4.590 1.00 15.00 C ATOM 670 O PRO B 230 -8.028 1.229 5.350 1.00 15.00 O ATOM 671 CB PRO B 230 -5.605 2.506 3.745 1.00 15.00 C ATOM 672 CG PRO B 230 -6.148 3.875 3.445 1.00 15.00 C ATOM 673 CD PRO B 230 -7.624 3.717 3.224 1.00 15.00 C ATOM 0 HA PRO B 230 -6.389 0.699 2.681 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.353 2.413 4.801 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.690 2.321 3.182 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.952 4.558 4.271 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.668 4.296 2.562 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.192 3.846 4.145 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.011 4.441 2.507 1.00 15.00 H new ATOM 681 N GLU B 231 -6.570 -0.413 4.791 1.00 15.00 N ATOM 682 CA GLU B 231 -7.064 -1.405 5.741 1.00 15.00 C ATOM 683 C GLU B 231 -6.277 -1.373 7.039 1.00 15.00 C ATOM 684 O GLU B 231 -5.095 -1.038 7.059 1.00 15.00 O ATOM 685 CB GLU B 231 -7.094 -2.817 5.130 1.00 15.00 C ATOM 686 CG GLU B 231 -5.972 -3.145 4.176 1.00 15.00 C ATOM 687 CD GLU B 231 -6.402 -4.158 3.133 1.00 15.00 C ATOM 688 OE1 GLU B 231 -7.089 -3.760 2.172 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -6.068 -5.352 3.266 1.00 15.00 O ATOM 0 H GLU B 231 -5.722 -0.696 4.301 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.094 -1.138 5.978 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.079 -3.544 5.942 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.041 -2.945 4.605 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.636 -2.233 3.682 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.122 -3.536 4.735 1.00 15.00 H new ATOM 696 N ASP B 232 -6.953 -1.729 8.114 1.00 15.00 N ATOM 697 CA ASP B 232 -6.459 -1.476 9.463 1.00 15.00 C ATOM 698 C ASP B 232 -5.825 -2.713 10.123 1.00 15.00 C ATOM 699 O ASP B 232 -4.695 -2.632 10.601 1.00 15.00 O ATOM 700 CB ASP B 232 -7.596 -0.931 10.331 1.00 15.00 C ATOM 701 CG ASP B 232 -7.147 -0.569 11.729 1.00 15.00 C ATOM 702 OD1 ASP B 232 -6.554 0.515 11.903 1.00 15.00 O ATOM 703 OD2 ASP B 232 -7.411 -1.351 12.666 1.00 15.00 O1- ATOM 0 H ASP B 232 -7.857 -2.200 8.083 1.00 15.00 H new ATOM 0 HA ASP B 232 -5.663 -0.737 9.378 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -8.022 -0.049 9.852 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.390 -1.676 10.391 1.00 15.00 H new ATOM 708 N PRO B 233 -6.528 -3.866 10.186 1.00 15.00 N ATOM 709 CA PRO B 233 -6.040 -5.037 10.903 1.00 15.00 C ATOM 710 C PRO B 233 -5.259 -6.009 10.016 1.00 15.00 C ATOM 711 O PRO B 233 -5.876 -6.956 9.482 1.00 15.00 O ATOM 712 CB PRO B 233 -7.331 -5.686 11.401 1.00 15.00 C ATOM 713 CG PRO B 233 -8.421 -5.205 10.485 1.00 15.00 C ATOM 714 CD PRO B 233 -7.835 -4.143 9.585 1.00 15.00 C ATOM 715 OXT PRO B 233 -4.029 -5.831 9.879 1.00 15.00 O ATOM 0 HA PRO B 233 -5.335 -4.767 11.689 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -7.254 -6.773 11.378 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -7.536 -5.403 12.433 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -8.815 -6.032 9.894 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -9.253 -4.800 11.061 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -7.738 -4.496 8.558 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -8.461 -3.251 9.557 1.00 15.00 H new