USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 397 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 320 ASN : amide:sc= 1.01 K(o=2,f=0.53) USER MOD Set 1.2: A 322 THR OG1 : rot -140:sc= 1.02 USER MOD Set 2.1: A 318 HIS : no HD1:sc= -4.37! C(o=-6.2!,f=-18!) USER MOD Set 2.2: B 211 TYR OH : rot -76:sc= -1.82! USER MOD Set 3.1: A 308 THR OG1 : rot -59:sc= 0.665 USER MOD Set 3.2: A 310 THR OG1 : rot 20:sc= 1.07 USER MOD Single : A 307 ASN : amide:sc= -0.784 K(o=-0.78,f=-5.2!) USER MOD Single : A 314 TYR OH : rot -107:sc= 0.189 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 323 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 324 GLN :FLIP amide:sc= -1.64 F(o=-3.8!,f=-1.6) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot -29:sc= 0.0668 USER MOD Single : A 333 ASN :FLIP amide:sc=-0.000728 F(o=-1.5,f=-0.00073) USER MOD Single : B 206 SER OG : rot -76:sc= 1 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -156:sc= -0.228 (180deg=-0.983) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 297 5.981 8.808 13.868 1.00 15.00 N ATOM 2 CA GLY A 297 5.293 7.757 13.082 1.00 15.00 C ATOM 3 C GLY A 297 6.264 6.732 12.529 1.00 15.00 C ATOM 4 O GLY A 297 7.336 7.099 12.047 1.00 15.00 O ATOM 0 HA2 GLY A 297 4.558 7.256 13.712 1.00 15.00 H new ATOM 0 HA3 GLY A 297 4.747 8.219 12.260 1.00 15.00 H new ATOM 10 N PRO A 298 5.923 5.432 12.586 1.00 15.00 N ATOM 11 CA PRO A 298 6.775 4.360 12.058 1.00 15.00 C ATOM 12 C PRO A 298 6.719 4.268 10.534 1.00 15.00 C ATOM 13 O PRO A 298 7.467 3.510 9.915 1.00 15.00 O ATOM 14 CB PRO A 298 6.200 3.080 12.689 1.00 15.00 C ATOM 15 CG PRO A 298 5.157 3.534 13.660 1.00 15.00 C ATOM 16 CD PRO A 298 4.704 4.887 13.192 1.00 15.00 C ATOM 0 HA PRO A 298 7.824 4.531 12.299 1.00 15.00 H new ATOM 0 HB2 PRO A 298 5.769 2.429 11.928 1.00 15.00 H new ATOM 0 HB3 PRO A 298 6.980 2.508 13.192 1.00 15.00 H new ATOM 0 HG2 PRO A 298 4.322 2.834 13.690 1.00 15.00 H new ATOM 0 HG3 PRO A 298 5.564 3.588 14.670 1.00 15.00 H new ATOM 0 HD2 PRO A 298 3.889 4.816 12.472 1.00 15.00 H new ATOM 0 HD3 PRO A 298 4.349 5.505 14.017 1.00 15.00 H new ATOM 24 N LEU A 299 5.808 5.026 9.941 1.00 15.00 N ATOM 25 CA LEU A 299 5.658 5.058 8.496 1.00 15.00 C ATOM 26 C LEU A 299 6.686 6.009 7.888 1.00 15.00 C ATOM 27 O LEU A 299 6.822 7.147 8.343 1.00 15.00 O ATOM 28 CB LEU A 299 4.243 5.520 8.130 1.00 15.00 C ATOM 29 CG LEU A 299 3.918 5.512 6.634 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.731 4.087 6.129 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.678 6.346 6.355 1.00 15.00 C ATOM 0 H LEU A 299 5.158 5.630 10.444 1.00 15.00 H new ATOM 0 HA LEU A 299 5.821 4.056 8.099 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.526 4.880 8.644 1.00 15.00 H new ATOM 0 HB3 LEU A 299 4.099 6.531 8.511 1.00 15.00 H new ATOM 0 HG LEU A 299 4.759 5.954 6.099 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.501 4.106 5.064 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.647 3.520 6.292 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.911 3.614 6.669 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.461 6.330 5.287 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.831 5.934 6.904 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.851 7.374 6.674 1.00 15.00 H new ATOM 43 N PRO A 300 7.424 5.565 6.862 1.00 15.00 N ATOM 44 CA PRO A 300 8.392 6.418 6.172 1.00 15.00 C ATOM 45 C PRO A 300 7.685 7.497 5.345 1.00 15.00 C ATOM 46 O PRO A 300 6.660 7.229 4.722 1.00 15.00 O ATOM 47 CB PRO A 300 9.157 5.448 5.263 1.00 15.00 C ATOM 48 CG PRO A 300 8.742 4.073 5.683 1.00 15.00 C ATOM 49 CD PRO A 300 7.373 4.218 6.273 1.00 15.00 C ATOM 0 HA PRO A 300 9.044 6.952 6.863 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.917 5.625 4.215 1.00 15.00 H new ATOM 0 HB3 PRO A 300 10.234 5.580 5.370 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.730 3.392 4.832 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.439 3.660 6.412 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.593 4.135 5.516 1.00 15.00 H new ATOM 0 HD3 PRO A 300 7.171 3.454 7.024 1.00 15.00 H new ATOM 57 N PRO A 301 8.240 8.723 5.306 1.00 15.00 N ATOM 58 CA PRO A 301 7.585 9.880 4.671 1.00 15.00 C ATOM 59 C PRO A 301 7.383 9.732 3.158 1.00 15.00 C ATOM 60 O PRO A 301 6.620 10.487 2.552 1.00 15.00 O ATOM 61 CB PRO A 301 8.535 11.045 4.968 1.00 15.00 C ATOM 62 CG PRO A 301 9.853 10.410 5.249 1.00 15.00 C ATOM 63 CD PRO A 301 9.549 9.080 5.878 1.00 15.00 C ATOM 0 HA PRO A 301 6.576 10.011 5.062 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.599 11.727 4.120 1.00 15.00 H new ATOM 0 HB3 PRO A 301 8.189 11.628 5.821 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.429 10.285 4.332 1.00 15.00 H new ATOM 0 HG3 PRO A 301 10.450 11.030 5.918 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.309 8.338 5.635 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.507 9.150 6.965 1.00 15.00 H new ATOM 71 N GLY A 302 8.086 8.791 2.546 1.00 15.00 N ATOM 72 CA GLY A 302 7.914 8.548 1.127 1.00 15.00 C ATOM 73 C GLY A 302 6.853 7.501 0.866 1.00 15.00 C ATOM 74 O GLY A 302 6.363 7.352 -0.259 1.00 15.00 O ATOM 0 H GLY A 302 8.772 8.191 3.005 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.639 9.478 0.629 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.861 8.223 0.695 1.00 15.00 H new ATOM 78 N TRP A 303 6.503 6.786 1.920 1.00 15.00 N ATOM 79 CA TRP A 303 5.576 5.673 1.843 1.00 15.00 C ATOM 80 C TRP A 303 4.157 6.096 2.183 1.00 15.00 C ATOM 81 O TRP A 303 3.944 7.003 2.990 1.00 15.00 O ATOM 82 CB TRP A 303 6.008 4.573 2.792 1.00 15.00 C ATOM 83 CG TRP A 303 7.021 3.657 2.204 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.374 3.830 2.169 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.758 2.416 1.557 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.966 2.757 1.565 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.991 1.879 1.178 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.598 1.697 1.265 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.096 0.667 0.533 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.714 0.489 0.620 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.954 -0.017 0.261 1.00 15.00 C ATOM 0 H TRP A 303 6.857 6.963 2.860 1.00 15.00 H new ATOM 0 HA TRP A 303 5.587 5.309 0.816 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.416 5.022 3.697 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.133 3.994 3.090 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.899 4.688 2.561 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.969 2.631 1.426 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.628 2.083 1.541 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.060 0.271 0.251 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.823 -0.076 0.389 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.013 -0.970 -0.243 1.00 15.00 H new ATOM 102 N GLU A 304 3.185 5.413 1.592 1.00 15.00 N ATOM 103 CA GLU A 304 1.775 5.744 1.823 1.00 15.00 C ATOM 104 C GLU A 304 0.976 4.481 2.135 1.00 15.00 C ATOM 105 O GLU A 304 0.933 3.566 1.338 1.00 15.00 O ATOM 106 CB GLU A 304 1.209 6.470 0.598 1.00 15.00 C ATOM 107 CG GLU A 304 1.760 7.874 0.427 1.00 15.00 C ATOM 108 CD GLU A 304 1.028 8.912 1.258 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.928 8.739 2.486 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.557 9.916 0.673 1.00 15.00 O ATOM 0 H GLU A 304 3.339 4.632 0.954 1.00 15.00 H new ATOM 0 HA GLU A 304 1.696 6.407 2.685 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.432 5.888 -0.296 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.124 6.521 0.683 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.815 7.878 0.700 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.702 8.154 -0.625 1.00 15.00 H new ATOM 117 N ILE A 305 0.339 4.431 3.295 1.00 15.00 N ATOM 118 CA ILE A 305 -0.295 3.193 3.750 1.00 15.00 C ATOM 119 C ILE A 305 -1.824 3.254 3.693 1.00 15.00 C ATOM 120 O ILE A 305 -2.435 4.211 4.172 1.00 15.00 O ATOM 121 CB ILE A 305 0.147 2.840 5.192 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.583 1.585 5.687 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.091 4.013 6.136 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.219 1.180 7.100 1.00 15.00 C ATOM 0 H ILE A 305 0.245 5.220 3.935 1.00 15.00 H new ATOM 0 HA ILE A 305 0.036 2.416 3.061 1.00 15.00 H new ATOM 0 HB ILE A 305 1.217 2.631 5.179 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.658 1.758 5.635 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.360 0.758 5.014 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.227 3.741 7.142 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.481 4.876 5.796 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.152 4.262 6.146 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.776 0.285 7.377 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.850 0.974 7.155 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.468 1.989 7.786 1.00 15.00 H new ATOM 136 N ARG A 306 -2.436 2.232 3.089 1.00 15.00 N ATOM 137 CA ARG A 306 -3.875 2.026 3.205 1.00 15.00 C ATOM 138 C ARG A 306 -4.204 0.540 3.287 1.00 15.00 C ATOM 139 O ARG A 306 -3.551 -0.301 2.655 1.00 15.00 O ATOM 140 CB ARG A 306 -4.663 2.619 2.036 1.00 15.00 C ATOM 141 CG ARG A 306 -4.620 4.127 1.913 1.00 15.00 C ATOM 142 CD ARG A 306 -5.909 4.638 1.293 1.00 15.00 C ATOM 143 NE ARG A 306 -7.042 4.502 2.216 1.00 15.00 N ATOM 144 CZ ARG A 306 -7.966 3.533 2.160 1.00 15.00 C ATOM 145 NH1 ARG A 306 -7.920 2.598 1.223 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.947 3.497 3.052 1.00 15.00 N ATOM 0 H ARG A 306 -1.955 1.538 2.517 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.171 2.542 4.119 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.284 2.186 1.110 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.704 2.310 2.130 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.478 4.576 2.896 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.769 4.425 1.300 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -5.790 5.685 1.014 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -6.117 4.086 0.377 1.00 15.00 H new ATOM 0 HE ARG A 306 -7.133 5.198 2.956 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.173 2.608 0.529 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -8.632 1.868 1.196 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.999 4.208 3.782 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -9.650 2.759 3.008 1.00 15.00 H new ATOM 160 N ASN A 307 -5.241 0.230 4.044 1.00 15.00 N ATOM 161 CA ASN A 307 -5.749 -1.125 4.124 1.00 15.00 C ATOM 162 C ASN A 307 -7.057 -1.211 3.328 1.00 15.00 C ATOM 163 O ASN A 307 -7.916 -0.341 3.463 1.00 15.00 O ATOM 164 CB ASN A 307 -6.002 -1.496 5.590 1.00 15.00 C ATOM 165 CG ASN A 307 -6.168 -2.991 5.809 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.594 -3.727 4.921 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.831 -3.450 7.005 1.00 15.00 N ATOM 0 H ASN A 307 -5.750 0.904 4.615 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.020 -1.820 3.707 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.172 -1.136 6.198 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.898 -0.982 5.939 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.921 -4.444 7.214 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.481 -2.809 7.717 1.00 15.00 H new ATOM 174 N THR A 308 -7.221 -2.258 2.527 1.00 15.00 N ATOM 175 CA THR A 308 -8.430 -2.444 1.741 1.00 15.00 C ATOM 176 C THR A 308 -9.441 -3.233 2.548 1.00 15.00 C ATOM 177 O THR A 308 -9.058 -4.144 3.292 1.00 15.00 O ATOM 178 CB THR A 308 -8.155 -3.221 0.432 1.00 15.00 C ATOM 179 OG1 THR A 308 -7.365 -4.388 0.713 1.00 15.00 O ATOM 180 CG2 THR A 308 -7.443 -2.365 -0.599 1.00 15.00 C ATOM 0 H THR A 308 -6.525 -2.994 2.406 1.00 15.00 H new ATOM 0 HA THR A 308 -8.809 -1.453 1.490 1.00 15.00 H new ATOM 0 HB THR A 308 -9.120 -3.513 0.017 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.516 -4.118 1.122 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.270 -2.951 -1.502 1.00 15.00 H new ATOM 0 HG22 THR A 308 -8.059 -1.499 -0.841 1.00 15.00 H new ATOM 0 HG23 THR A 308 -6.487 -2.029 -0.196 1.00 15.00 H new ATOM 188 N ALA A 309 -10.722 -2.910 2.375 1.00 15.00 N ATOM 189 CA ALA A 309 -11.797 -3.575 3.109 1.00 15.00 C ATOM 190 C ALA A 309 -11.815 -5.080 2.831 1.00 15.00 C ATOM 191 O ALA A 309 -12.418 -5.854 3.574 1.00 15.00 O ATOM 192 CB ALA A 309 -13.142 -2.956 2.751 1.00 15.00 C ATOM 0 H ALA A 309 -11.041 -2.188 1.729 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.612 -3.434 4.174 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.934 -3.461 3.305 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.136 -1.897 3.010 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.320 -3.066 1.681 1.00 15.00 H new ATOM 198 N THR A 310 -11.145 -5.482 1.755 1.00 15.00 N ATOM 199 CA THR A 310 -10.987 -6.890 1.421 1.00 15.00 C ATOM 200 C THR A 310 -10.029 -7.590 2.390 1.00 15.00 C ATOM 201 O THR A 310 -9.973 -8.817 2.446 1.00 15.00 O ATOM 202 CB THR A 310 -10.469 -7.047 -0.021 1.00 15.00 C ATOM 203 OG1 THR A 310 -9.363 -6.159 -0.243 1.00 15.00 O ATOM 204 CG2 THR A 310 -11.568 -6.751 -1.030 1.00 15.00 C ATOM 0 H THR A 310 -10.700 -4.844 1.095 1.00 15.00 H new ATOM 0 HA THR A 310 -11.967 -7.359 1.506 1.00 15.00 H new ATOM 0 HB THR A 310 -10.144 -8.079 -0.154 1.00 15.00 H new ATOM 0 HG1 THR A 310 -8.975 -5.898 0.618 1.00 15.00 H new ATOM 0 HG21 THR A 310 -11.176 -6.869 -2.040 1.00 15.00 H new ATOM 0 HG22 THR A 310 -12.396 -7.443 -0.879 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.920 -5.728 -0.895 1.00 15.00 H new ATOM 212 N GLY A 311 -9.278 -6.797 3.148 1.00 15.00 N ATOM 213 CA GLY A 311 -8.372 -7.346 4.139 1.00 15.00 C ATOM 214 C GLY A 311 -6.944 -7.444 3.642 1.00 15.00 C ATOM 215 O GLY A 311 -6.289 -8.470 3.821 1.00 15.00 O ATOM 0 H GLY A 311 -9.282 -5.779 3.092 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.398 -6.723 5.033 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.719 -8.337 4.431 1.00 15.00 H new ATOM 219 N ARG A 312 -6.446 -6.379 3.024 1.00 15.00 N ATOM 220 CA ARG A 312 -5.082 -6.392 2.474 1.00 15.00 C ATOM 221 C ARG A 312 -4.455 -5.000 2.575 1.00 15.00 C ATOM 222 O ARG A 312 -5.094 -4.020 2.208 1.00 15.00 O ATOM 223 CB ARG A 312 -5.085 -6.804 0.999 1.00 15.00 C ATOM 224 CG ARG A 312 -5.870 -8.050 0.643 1.00 15.00 C ATOM 225 CD ARG A 312 -5.985 -8.159 -0.866 1.00 15.00 C ATOM 226 NE ARG A 312 -7.067 -7.330 -1.399 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.201 -7.001 -2.685 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.387 -7.511 -3.606 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -8.175 -6.183 -3.054 1.00 15.00 N ATOM 0 H ARG A 312 -6.952 -5.504 2.889 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.506 -7.113 3.054 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.481 -5.974 0.414 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.052 -6.951 0.685 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.374 -8.933 1.046 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.862 -8.009 1.092 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.042 -7.860 -1.323 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.157 -9.199 -1.141 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.766 -6.980 -0.743 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.650 -8.161 -3.332 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.500 -7.252 -4.586 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.818 -5.808 -2.356 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.282 -5.928 -4.036 1.00 15.00 H new ATOM 243 N VAL A 313 -3.195 -4.907 2.992 1.00 15.00 N ATOM 244 CA VAL A 313 -2.575 -3.599 3.206 1.00 15.00 C ATOM 245 C VAL A 313 -1.575 -3.235 2.093 1.00 15.00 C ATOM 246 O VAL A 313 -0.425 -3.656 2.107 1.00 15.00 O ATOM 247 CB VAL A 313 -1.860 -3.523 4.568 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.622 -2.072 4.957 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.657 -4.242 5.645 1.00 15.00 C ATOM 0 H VAL A 313 -2.591 -5.705 3.186 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.393 -2.878 3.188 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.896 -4.023 4.476 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.116 -2.032 5.922 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.002 -1.590 4.202 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.578 -1.553 5.027 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.129 -4.172 6.596 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.639 -3.779 5.741 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.775 -5.290 5.371 1.00 15.00 H new ATOM 259 N TYR A 314 -2.046 -2.460 1.127 1.00 15.00 N ATOM 260 CA TYR A 314 -1.232 -1.947 0.045 1.00 15.00 C ATOM 261 C TYR A 314 -0.643 -0.590 0.426 1.00 15.00 C ATOM 262 O TYR A 314 -1.358 0.335 0.827 1.00 15.00 O ATOM 263 CB TYR A 314 -2.077 -1.804 -1.240 1.00 15.00 C ATOM 264 CG TYR A 314 -3.191 -0.774 -1.141 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.237 -0.938 -0.242 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.189 0.373 -1.935 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.236 0.003 -0.130 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.191 1.318 -1.823 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.205 1.127 -0.917 1.00 15.00 C ATOM 270 OH TYR A 314 -6.202 2.058 -0.804 1.00 15.00 O ATOM 0 H TYR A 314 -3.022 -2.167 1.076 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.420 -2.650 -0.140 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.419 -1.533 -2.066 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.513 -2.773 -1.484 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.267 -1.820 0.381 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.392 0.525 -2.648 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.041 -0.143 0.575 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.177 2.201 -2.444 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.786 2.009 -1.590 1.00 15.00 H new ATOM 280 N PHE A 315 0.659 -0.482 0.320 1.00 15.00 N ATOM 281 CA PHE A 315 1.331 0.782 0.508 1.00 15.00 C ATOM 282 C PHE A 315 1.712 1.339 -0.848 1.00 15.00 C ATOM 283 O PHE A 315 2.490 0.733 -1.561 1.00 15.00 O ATOM 284 CB PHE A 315 2.603 0.613 1.336 1.00 15.00 C ATOM 285 CG PHE A 315 2.420 0.085 2.726 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.782 -1.118 2.950 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.926 0.785 3.809 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.645 -1.615 4.225 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.798 0.287 5.088 1.00 15.00 C ATOM 290 CZ PHE A 315 2.155 -0.916 5.293 1.00 15.00 C ATOM 0 H PHE A 315 1.280 -1.262 0.103 1.00 15.00 H new ATOM 0 HA PHE A 315 0.656 1.456 1.035 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.275 -0.058 0.800 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.102 1.580 1.399 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.386 -1.676 2.114 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.425 1.729 3.650 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.137 -2.554 4.387 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.200 0.837 5.926 1.00 15.00 H new ATOM 0 HZ PHE A 315 2.052 -1.309 6.294 1.00 15.00 H new ATOM 300 N VAL A 316 1.180 2.479 -1.207 1.00 15.00 N ATOM 301 CA VAL A 316 1.535 3.083 -2.467 1.00 15.00 C ATOM 302 C VAL A 316 2.747 3.998 -2.270 1.00 15.00 C ATOM 303 O VAL A 316 2.733 4.882 -1.412 1.00 15.00 O ATOM 304 CB VAL A 316 0.359 3.871 -3.093 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.647 2.918 -3.717 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.336 4.750 -2.068 1.00 15.00 C ATOM 0 H VAL A 316 0.505 3.005 -0.651 1.00 15.00 H new ATOM 0 HA VAL A 316 1.785 2.282 -3.163 1.00 15.00 H new ATOM 0 HB VAL A 316 0.775 4.516 -3.867 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.467 3.489 -4.152 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.159 2.332 -4.496 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.038 2.248 -2.951 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.156 5.287 -2.545 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.729 4.129 -1.263 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.377 5.466 -1.659 1.00 15.00 H new ATOM 316 N ASP A 317 3.814 3.776 -3.031 1.00 15.00 N ATOM 317 CA ASP A 317 4.992 4.607 -2.916 1.00 15.00 C ATOM 318 C ASP A 317 4.843 5.765 -3.869 1.00 15.00 C ATOM 319 O ASP A 317 4.646 5.556 -5.069 1.00 15.00 O ATOM 320 CB ASP A 317 6.282 3.871 -3.306 1.00 15.00 C ATOM 321 CG ASP A 317 6.267 2.387 -3.048 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.540 1.672 -3.762 1.00 15.00 O ATOM 323 OD2 ASP A 317 7.036 1.932 -2.180 1.00 15.00 O1- ATOM 0 H ASP A 317 3.881 3.033 -3.726 1.00 15.00 H new ATOM 0 HA ASP A 317 5.071 4.915 -1.873 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.473 4.039 -4.366 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.115 4.312 -2.758 1.00 15.00 H new ATOM 328 N HIS A 318 4.926 6.983 -3.354 1.00 15.00 N ATOM 329 CA HIS A 318 4.906 8.160 -4.213 1.00 15.00 C ATOM 330 C HIS A 318 6.241 8.281 -4.933 1.00 15.00 C ATOM 331 O HIS A 318 6.380 9.028 -5.899 1.00 15.00 O ATOM 332 CB HIS A 318 4.604 9.435 -3.416 1.00 15.00 C ATOM 333 CG HIS A 318 3.200 9.511 -2.878 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.179 8.679 -3.288 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.651 10.333 -1.951 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.074 8.985 -2.642 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.327 9.984 -1.817 1.00 15.00 N ATOM 0 H HIS A 318 5.007 7.182 -2.357 1.00 15.00 H new ATOM 0 HA HIS A 318 4.107 8.041 -4.945 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.304 9.503 -2.583 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.783 10.300 -4.055 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.161 11.120 -1.415 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.118 8.499 -2.766 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.655 10.423 -1.187 1.00 15.00 H new ATOM 346 N ASN A 319 7.216 7.530 -4.438 1.00 15.00 N ATOM 347 CA ASN A 319 8.545 7.477 -5.026 1.00 15.00 C ATOM 348 C ASN A 319 8.501 6.828 -6.410 1.00 15.00 C ATOM 349 O ASN A 319 8.695 7.495 -7.425 1.00 15.00 O ATOM 350 CB ASN A 319 9.485 6.690 -4.105 1.00 15.00 C ATOM 351 CG ASN A 319 9.634 7.327 -2.736 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.610 8.551 -2.596 1.00 15.00 O ATOM 353 ND2 ASN A 319 9.764 6.499 -1.710 1.00 15.00 N ATOM 0 H ASN A 319 7.105 6.939 -3.614 1.00 15.00 H new ATOM 0 HA ASN A 319 8.917 8.495 -5.139 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.107 5.674 -3.989 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.466 6.613 -4.574 1.00 15.00 H new ATOM 0 HD21 ASN A 319 9.849 6.869 -0.763 1.00 15.00 H new ATOM 0 HD22 ASN A 319 9.780 5.491 -1.867 1.00 15.00 H new ATOM 360 N ASN A 320 8.208 5.535 -6.448 1.00 15.00 N ATOM 361 CA ASN A 320 8.214 4.783 -7.704 1.00 15.00 C ATOM 362 C ASN A 320 6.828 4.780 -8.349 1.00 15.00 C ATOM 363 O ASN A 320 6.679 4.419 -9.517 1.00 15.00 O ATOM 364 CB ASN A 320 8.711 3.351 -7.470 1.00 15.00 C ATOM 365 CG ASN A 320 9.033 2.621 -8.764 1.00 15.00 C ATOM 366 OD1 ASN A 320 10.105 2.803 -9.340 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.133 1.762 -9.212 1.00 15.00 N ATOM 0 H ASN A 320 7.963 4.982 -5.627 1.00 15.00 H new ATOM 0 HA ASN A 320 8.900 5.276 -8.392 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.602 3.378 -6.842 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.952 2.793 -6.922 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.318 1.226 -10.060 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.254 1.636 -8.710 1.00 15.00 H new ATOM 374 N ARG A 321 5.823 5.161 -7.560 1.00 15.00 N ATOM 375 CA ARG A 321 4.424 5.205 -8.003 1.00 15.00 C ATOM 376 C ARG A 321 3.873 3.796 -8.165 1.00 15.00 C ATOM 377 O ARG A 321 3.325 3.441 -9.205 1.00 15.00 O ATOM 378 CB ARG A 321 4.261 5.994 -9.308 1.00 15.00 C ATOM 379 CG ARG A 321 4.778 7.418 -9.222 1.00 15.00 C ATOM 380 CD ARG A 321 4.590 8.159 -10.534 1.00 15.00 C ATOM 381 NE ARG A 321 5.182 9.494 -10.494 1.00 15.00 N ATOM 382 CZ ARG A 321 4.633 10.565 -11.060 1.00 15.00 C ATOM 383 NH1 ARG A 321 3.472 10.459 -11.697 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 5.246 11.738 -10.991 1.00 15.00 N ATOM 0 H ARG A 321 5.954 5.450 -6.591 1.00 15.00 H new ATOM 0 HA ARG A 321 3.854 5.724 -7.232 1.00 15.00 H new ATOM 0 HB2 ARG A 321 4.788 5.472 -10.107 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.206 6.015 -9.582 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.256 7.948 -8.426 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.835 7.407 -8.958 1.00 15.00 H new ATOM 0 HD2 ARG A 321 5.042 7.585 -11.343 1.00 15.00 H new ATOM 0 HD3 ARG A 321 3.526 8.240 -10.756 1.00 15.00 H new ATOM 0 HE ARG A 321 6.068 9.612 -10.003 1.00 15.00 H new ATOM 0 HH11 ARG A 321 3.001 9.556 -11.752 1.00 15.00 H new ATOM 0 HH12 ARG A 321 3.051 11.281 -12.131 1.00 15.00 H new ATOM 0 HH21 ARG A 321 6.139 11.819 -10.504 1.00 15.00 H new ATOM 0 HH22 ARG A 321 4.825 12.560 -11.425 1.00 15.00 H new ATOM 398 N THR A 322 4.018 3.003 -7.118 1.00 15.00 N ATOM 399 CA THR A 322 3.595 1.608 -7.150 1.00 15.00 C ATOM 400 C THR A 322 2.737 1.282 -5.929 1.00 15.00 C ATOM 401 O THR A 322 2.881 1.916 -4.894 1.00 15.00 O ATOM 402 CB THR A 322 4.822 0.681 -7.206 1.00 15.00 C ATOM 403 OG1 THR A 322 5.693 1.134 -8.252 1.00 15.00 O ATOM 404 CG2 THR A 322 4.416 -0.764 -7.471 1.00 15.00 C ATOM 0 H THR A 322 4.426 3.299 -6.231 1.00 15.00 H new ATOM 0 HA THR A 322 2.995 1.447 -8.046 1.00 15.00 H new ATOM 0 HB THR A 322 5.330 0.714 -6.242 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.061 0.361 -8.729 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.306 -1.392 -7.504 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.758 -1.109 -6.673 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.893 -0.826 -8.425 1.00 15.00 H new ATOM 412 N THR A 323 1.808 0.343 -6.061 1.00 15.00 N ATOM 413 CA THR A 323 1.025 -0.090 -4.916 1.00 15.00 C ATOM 414 C THR A 323 1.579 -1.418 -4.375 1.00 15.00 C ATOM 415 O THR A 323 1.846 -2.348 -5.143 1.00 15.00 O ATOM 416 CB THR A 323 -0.478 -0.216 -5.262 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.223 -0.628 -4.113 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.723 -1.196 -6.388 1.00 15.00 C ATOM 0 H THR A 323 1.582 -0.126 -6.938 1.00 15.00 H new ATOM 0 HA THR A 323 1.110 0.671 -4.140 1.00 15.00 H new ATOM 0 HB THR A 323 -0.811 0.769 -5.588 1.00 15.00 H new ATOM 0 HG1 THR A 323 -2.172 -0.701 -4.347 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.792 -1.252 -6.596 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.196 -0.862 -7.282 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.358 -2.181 -6.099 1.00 15.00 H new ATOM 426 N GLN A 324 1.764 -1.503 -3.059 1.00 15.00 N ATOM 427 CA GLN A 324 2.493 -2.611 -2.462 1.00 15.00 C ATOM 428 C GLN A 324 1.635 -3.394 -1.464 1.00 15.00 C ATOM 429 O GLN A 324 1.579 -3.041 -0.294 1.00 15.00 O ATOM 430 CB GLN A 324 3.743 -2.083 -1.732 1.00 15.00 C ATOM 431 CG GLN A 324 4.626 -1.169 -2.574 1.00 15.00 C ATOM 432 CD GLN A 324 5.602 -1.917 -3.460 1.00 15.00 C ATOM 433 OE1 GLN A 324 6.163 -2.997 -2.945 1.00 15.00 O flip ATOM 434 NE2 GLN A 324 5.898 -1.503 -4.579 1.00 15.00 N flip ATOM 0 H GLN A 324 1.418 -0.816 -2.389 1.00 15.00 H new ATOM 0 HA GLN A 324 2.776 -3.283 -3.272 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.426 -1.541 -0.841 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.337 -2.932 -1.395 1.00 15.00 H new ATOM 0 HG2 GLN A 324 3.992 -0.538 -3.197 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.183 -0.506 -1.913 1.00 15.00 H new ATOM 0 HE21 GLN A 324 5.447 -0.666 -4.949 1.00 15.00 H new ATOM 0 HE22 GLN A 324 6.594 -1.996 -5.138 1.00 15.00 H new ATOM 443 N PHE A 325 0.948 -4.439 -1.929 1.00 15.00 N ATOM 444 CA PHE A 325 0.353 -5.429 -1.014 1.00 15.00 C ATOM 445 C PHE A 325 1.449 -6.251 -0.409 1.00 15.00 C ATOM 446 O PHE A 325 1.253 -7.072 0.481 1.00 15.00 O ATOM 447 CB PHE A 325 -0.625 -6.347 -1.711 1.00 15.00 C ATOM 448 CG PHE A 325 -2.005 -5.807 -1.709 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.512 -5.182 -0.580 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.798 -5.921 -2.830 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.796 -4.673 -0.599 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.078 -5.418 -2.841 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.577 -4.792 -1.726 1.00 15.00 C ATOM 0 H PHE A 325 0.788 -4.625 -2.919 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.198 -4.883 -0.249 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.301 -6.505 -2.740 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.618 -7.321 -1.221 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.906 -5.094 0.310 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.410 -6.411 -3.711 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.190 -4.178 0.277 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.690 -5.515 -3.726 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.581 -4.394 -1.733 1.00 15.00 H new ATOM 463 N THR A 326 2.595 -6.035 -0.976 1.00 15.00 N ATOM 464 CA THR A 326 3.813 -6.620 -0.482 1.00 15.00 C ATOM 465 C THR A 326 4.352 -5.638 0.554 1.00 15.00 C ATOM 466 O THR A 326 5.099 -4.709 0.236 1.00 15.00 O ATOM 467 CB THR A 326 4.828 -6.892 -1.619 1.00 15.00 C ATOM 468 OG1 THR A 326 6.134 -7.153 -1.091 1.00 15.00 O ATOM 469 CG2 THR A 326 4.882 -5.742 -2.613 1.00 15.00 C ATOM 0 H THR A 326 2.718 -5.445 -1.799 1.00 15.00 H new ATOM 0 HA THR A 326 3.632 -7.598 -0.036 1.00 15.00 H new ATOM 0 HB THR A 326 4.483 -7.779 -2.151 1.00 15.00 H new ATOM 0 HG1 THR A 326 6.757 -7.323 -1.828 1.00 15.00 H new ATOM 0 HG21 THR A 326 5.606 -5.971 -3.395 1.00 15.00 H new ATOM 0 HG22 THR A 326 3.898 -5.600 -3.059 1.00 15.00 H new ATOM 0 HG23 THR A 326 5.182 -4.829 -2.098 1.00 15.00 H new ATOM 477 N ASP A 327 3.930 -5.836 1.788 1.00 15.00 N ATOM 478 CA ASP A 327 3.897 -4.779 2.765 1.00 15.00 C ATOM 479 C ASP A 327 4.872 -4.937 3.872 1.00 15.00 C ATOM 480 O ASP A 327 5.260 -6.036 4.269 1.00 15.00 O ATOM 481 CB ASP A 327 2.518 -4.596 3.367 1.00 15.00 C ATOM 482 CG ASP A 327 1.767 -5.893 3.623 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.428 -6.927 3.862 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.520 -5.871 3.646 1.00 15.00 O1- ATOM 0 H ASP A 327 3.601 -6.737 2.136 1.00 15.00 H new ATOM 0 HA ASP A 327 4.179 -3.894 2.194 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.615 -4.055 4.308 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.924 -3.972 2.700 1.00 15.00 H new ATOM 489 N PRO A 328 5.272 -3.792 4.387 1.00 15.00 N ATOM 490 CA PRO A 328 6.006 -3.713 5.620 1.00 15.00 C ATOM 491 C PRO A 328 5.086 -4.214 6.744 1.00 15.00 C ATOM 492 O PRO A 328 5.520 -4.500 7.861 1.00 15.00 O ATOM 493 CB PRO A 328 6.355 -2.216 5.735 1.00 15.00 C ATOM 494 CG PRO A 328 6.045 -1.639 4.383 1.00 15.00 C ATOM 495 CD PRO A 328 4.938 -2.464 3.855 1.00 15.00 C ATOM 0 HA PRO A 328 6.911 -4.318 5.673 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.767 -1.732 6.515 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.404 -2.074 5.993 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.754 -0.591 4.459 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.915 -1.681 3.728 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.966 -2.116 4.205 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.906 -2.456 2.765 1.00 15.00 H new ATOM 503 N ARG A 329 3.784 -4.299 6.406 1.00 15.00 N ATOM 504 CA ARG A 329 2.772 -4.910 7.265 1.00 15.00 C ATOM 505 C ARG A 329 3.058 -6.390 7.502 1.00 15.00 C ATOM 506 O ARG A 329 2.650 -6.944 8.519 1.00 15.00 O ATOM 507 CB ARG A 329 1.346 -4.751 6.685 1.00 15.00 C ATOM 508 CG ARG A 329 0.669 -3.459 7.101 1.00 15.00 C ATOM 509 CD ARG A 329 0.470 -3.390 8.610 1.00 15.00 C ATOM 510 NE ARG A 329 -0.294 -4.531 9.121 1.00 15.00 N ATOM 511 CZ ARG A 329 -1.543 -4.449 9.581 1.00 15.00 C ATOM 512 NH1 ARG A 329 -2.185 -3.290 9.575 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -2.145 -5.530 10.057 1.00 15.00 N ATOM 0 H ARG A 329 3.412 -3.942 5.526 1.00 15.00 H new ATOM 0 HA ARG A 329 2.821 -4.381 8.217 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.397 -4.792 5.597 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.734 -5.594 7.007 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.270 -2.611 6.774 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.297 -3.377 6.602 1.00 15.00 H new ATOM 0 HD2 ARG A 329 1.442 -3.357 9.102 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.048 -2.465 8.864 1.00 15.00 H new ATOM 0 HE ARG A 329 0.158 -5.445 9.125 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -1.724 -2.453 9.217 1.00 15.00 H new ATOM 0 HH12 ARG A 329 -3.140 -3.234 9.928 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -1.653 -6.423 10.071 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -3.100 -5.468 10.409 1.00 15.00 H new ATOM 527 N LEU A 330 3.747 -7.030 6.563 1.00 15.00 N ATOM 528 CA LEU A 330 4.092 -8.441 6.697 1.00 15.00 C ATOM 529 C LEU A 330 4.995 -8.654 7.911 1.00 15.00 C ATOM 530 O LEU A 330 4.920 -9.681 8.584 1.00 15.00 O ATOM 531 CB LEU A 330 4.767 -8.947 5.408 1.00 15.00 C ATOM 532 CG LEU A 330 5.107 -10.443 5.351 1.00 15.00 C ATOM 533 CD1 LEU A 330 5.082 -10.934 3.913 1.00 15.00 C ATOM 534 CD2 LEU A 330 6.479 -10.714 5.957 1.00 15.00 C ATOM 0 H LEU A 330 4.077 -6.595 5.702 1.00 15.00 H new ATOM 0 HA LEU A 330 3.179 -9.016 6.851 1.00 15.00 H new ATOM 0 HB2 LEU A 330 4.113 -8.714 4.567 1.00 15.00 H new ATOM 0 HB3 LEU A 330 5.688 -8.383 5.262 1.00 15.00 H new ATOM 0 HG LEU A 330 4.356 -10.980 5.931 1.00 15.00 H new ATOM 0 HD11 LEU A 330 5.325 -11.996 3.887 1.00 15.00 H new ATOM 0 HD12 LEU A 330 4.088 -10.778 3.493 1.00 15.00 H new ATOM 0 HD13 LEU A 330 5.815 -10.380 3.327 1.00 15.00 H new ATOM 0 HD21 LEU A 330 6.696 -11.781 5.904 1.00 15.00 H new ATOM 0 HD22 LEU A 330 7.237 -10.162 5.402 1.00 15.00 H new ATOM 0 HD23 LEU A 330 6.486 -10.393 6.999 1.00 15.00 H new ATOM 546 N SER A 331 5.841 -7.673 8.194 1.00 15.00 N ATOM 547 CA SER A 331 6.767 -7.771 9.311 1.00 15.00 C ATOM 548 C SER A 331 6.104 -7.307 10.609 1.00 15.00 C ATOM 549 O SER A 331 6.637 -7.514 11.700 1.00 15.00 O ATOM 550 CB SER A 331 8.026 -6.943 9.023 1.00 15.00 C ATOM 551 OG SER A 331 8.997 -7.100 10.042 1.00 15.00 O ATOM 0 H SER A 331 5.904 -6.803 7.666 1.00 15.00 H new ATOM 0 HA SER A 331 7.053 -8.816 9.434 1.00 15.00 H new ATOM 0 HB2 SER A 331 8.450 -7.246 8.066 1.00 15.00 H new ATOM 0 HB3 SER A 331 7.758 -5.890 8.934 1.00 15.00 H new ATOM 0 HG SER A 331 8.550 -7.296 10.892 1.00 15.00 H new ATOM 557 N ALA A 332 4.937 -6.685 10.488 1.00 15.00 N ATOM 558 CA ALA A 332 4.227 -6.160 11.649 1.00 15.00 C ATOM 559 C ALA A 332 3.079 -7.079 12.059 1.00 15.00 C ATOM 560 O ALA A 332 2.746 -7.166 13.242 1.00 15.00 O ATOM 561 CB ALA A 332 3.709 -4.760 11.359 1.00 15.00 C ATOM 0 H ALA A 332 4.462 -6.532 9.598 1.00 15.00 H new ATOM 0 HA ALA A 332 4.929 -6.112 12.481 1.00 15.00 H new ATOM 0 HB1 ALA A 332 3.181 -4.379 12.233 1.00 15.00 H new ATOM 0 HB2 ALA A 332 4.547 -4.103 11.126 1.00 15.00 H new ATOM 0 HB3 ALA A 332 3.027 -4.793 10.509 1.00 15.00 H new ATOM 567 N ASN A 333 2.496 -7.760 11.067 1.00 15.00 N ATOM 568 CA ASN A 333 1.354 -8.661 11.266 1.00 15.00 C ATOM 569 C ASN A 333 0.074 -7.866 11.484 1.00 15.00 C ATOM 570 O ASN A 333 -0.674 -7.674 10.502 1.00 15.00 O ATOM 571 CB ASN A 333 1.579 -9.639 12.430 1.00 15.00 C ATOM 572 CG ASN A 333 2.530 -10.776 12.091 1.00 15.00 C ATOM 573 OD1 ASN A 333 3.461 -10.538 11.180 1.00 15.00 O flip ATOM 574 ND2 ASN A 333 2.427 -11.866 12.651 1.00 15.00 N flip ATOM 575 OXT ASN A 333 -0.178 -7.423 12.624 1.00 15.00 O ATOM 0 H ASN A 333 2.805 -7.702 10.097 1.00 15.00 H new ATOM 0 HA ASN A 333 1.255 -9.254 10.357 1.00 15.00 H new ATOM 0 HB2 ASN A 333 1.972 -9.089 13.285 1.00 15.00 H new ATOM 0 HB3 ASN A 333 0.619 -10.057 12.734 1.00 15.00 H new ATOM 0 HD21 ASN A 333 1.697 -12.014 13.348 1.00 15.00 H new ATOM 0 HD22 ASN A 333 3.071 -12.622 12.418 1.00 15.00 H new TER 582 ASN A 333 ATOM 583 N GLU B 203 4.462 -9.958 -6.187 1.00 15.00 N ATOM 584 CA GLU B 203 3.742 -9.770 -4.908 1.00 15.00 C ATOM 585 C GLU B 203 3.036 -11.063 -4.517 1.00 15.00 C ATOM 586 O GLU B 203 2.475 -11.756 -5.365 1.00 15.00 O ATOM 587 CB GLU B 203 2.744 -8.595 -4.997 1.00 15.00 C ATOM 588 CG GLU B 203 1.610 -8.780 -5.998 1.00 15.00 C ATOM 589 CD GLU B 203 2.087 -8.869 -7.429 1.00 15.00 C ATOM 590 OE1 GLU B 203 2.475 -7.834 -7.999 1.00 15.00 O1- ATOM 591 OE2 GLU B 203 2.117 -9.990 -7.972 1.00 15.00 O ATOM 0 HA GLU B 203 4.467 -9.520 -4.133 1.00 15.00 H new ATOM 0 HB2 GLU B 203 2.312 -8.431 -4.010 1.00 15.00 H new ATOM 0 HB3 GLU B 203 3.294 -7.691 -5.259 1.00 15.00 H new ATOM 0 HG2 GLU B 203 1.058 -9.687 -5.749 1.00 15.00 H new ATOM 0 HG3 GLU B 203 0.913 -7.947 -5.905 1.00 15.00 H new ATOM 600 N LEU B 204 3.066 -11.380 -3.230 1.00 15.00 N ATOM 601 CA LEU B 204 2.482 -12.623 -2.726 1.00 15.00 C ATOM 602 C LEU B 204 0.955 -12.536 -2.664 1.00 15.00 C ATOM 603 O LEU B 204 0.272 -13.539 -2.479 1.00 15.00 O ATOM 604 CB LEU B 204 3.046 -12.940 -1.335 1.00 15.00 C ATOM 605 CG LEU B 204 2.584 -14.265 -0.727 1.00 15.00 C ATOM 606 CD1 LEU B 204 3.069 -15.438 -1.565 1.00 15.00 C ATOM 607 CD2 LEU B 204 3.075 -14.392 0.706 1.00 15.00 C ATOM 0 H LEU B 204 3.489 -10.794 -2.511 1.00 15.00 H new ATOM 0 HA LEU B 204 2.746 -13.424 -3.416 1.00 15.00 H new ATOM 0 HB2 LEU B 204 4.134 -12.947 -1.396 1.00 15.00 H new ATOM 0 HB3 LEU B 204 2.770 -12.133 -0.657 1.00 15.00 H new ATOM 0 HG LEU B 204 1.494 -14.278 -0.720 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.730 -16.371 -1.115 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.667 -15.355 -2.575 1.00 15.00 H new ATOM 0 HD13 LEU B 204 4.158 -15.430 -1.606 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.737 -15.341 1.124 1.00 15.00 H new ATOM 0 HD22 LEU B 204 4.164 -14.356 0.722 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.676 -13.571 1.301 1.00 15.00 H new ATOM 619 N GLU B 205 0.430 -11.333 -2.809 1.00 15.00 N ATOM 620 CA GLU B 205 -1.001 -11.102 -2.686 1.00 15.00 C ATOM 621 C GLU B 205 -1.620 -10.786 -4.050 1.00 15.00 C ATOM 622 O GLU B 205 -0.911 -10.433 -4.996 1.00 15.00 O ATOM 623 CB GLU B 205 -1.235 -9.952 -1.700 1.00 15.00 C ATOM 624 CG GLU B 205 -2.700 -9.632 -1.424 1.00 15.00 C ATOM 625 CD GLU B 205 -3.489 -10.828 -0.930 1.00 15.00 C ATOM 626 OE1 GLU B 205 -3.554 -11.037 0.293 1.00 15.00 O1- ATOM 627 OE2 GLU B 205 -4.059 -11.554 -1.774 1.00 15.00 O ATOM 0 H GLU B 205 0.975 -10.495 -3.013 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.483 -12.004 -2.310 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -0.748 -10.197 -0.756 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -0.749 -9.056 -2.087 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.758 -8.835 -0.682 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -3.161 -9.253 -2.336 1.00 15.00 H new ATOM 634 N SER B 206 -2.938 -10.932 -4.129 1.00 15.00 N ATOM 635 CA SER B 206 -3.725 -10.568 -5.305 1.00 15.00 C ATOM 636 C SER B 206 -3.406 -9.172 -5.824 1.00 15.00 C ATOM 637 O SER B 206 -2.935 -8.292 -5.100 1.00 15.00 O ATOM 638 CB SER B 206 -5.210 -10.672 -4.975 1.00 15.00 C ATOM 639 OG SER B 206 -5.478 -10.306 -3.628 1.00 15.00 O ATOM 0 H SER B 206 -3.500 -11.312 -3.367 1.00 15.00 H new ATOM 0 HA SER B 206 -3.462 -11.267 -6.099 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.778 -10.028 -5.647 1.00 15.00 H new ATOM 0 HB3 SER B 206 -5.550 -11.693 -5.149 1.00 15.00 H new ATOM 0 HG SER B 206 -5.206 -11.034 -3.031 1.00 15.00 H new ATOM 645 N PRO B 207 -3.720 -8.990 -7.101 1.00 15.00 N ATOM 646 CA PRO B 207 -3.525 -7.741 -7.834 1.00 15.00 C ATOM 647 C PRO B 207 -4.067 -6.535 -7.060 1.00 15.00 C ATOM 648 O PRO B 207 -5.252 -6.492 -6.722 1.00 15.00 O ATOM 649 CB PRO B 207 -4.360 -7.951 -9.102 1.00 15.00 C ATOM 650 CG PRO B 207 -4.480 -9.434 -9.278 1.00 15.00 C ATOM 651 CD PRO B 207 -4.244 -10.069 -7.931 1.00 15.00 C ATOM 0 HA PRO B 207 -2.471 -7.532 -8.017 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.342 -7.489 -9.003 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -3.879 -7.493 -9.966 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -5.467 -9.697 -9.658 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -3.752 -9.794 -10.005 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.167 -10.475 -7.517 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -3.536 -10.895 -8.001 1.00 15.00 H new ATOM 659 N PRO B 208 -3.198 -5.557 -6.733 1.00 15.00 N ATOM 660 CA PRO B 208 -3.564 -4.428 -5.884 1.00 15.00 C ATOM 661 C PRO B 208 -4.288 -3.293 -6.615 1.00 15.00 C ATOM 662 O PRO B 208 -4.276 -3.209 -7.845 1.00 15.00 O ATOM 663 CB PRO B 208 -2.213 -3.931 -5.338 1.00 15.00 C ATOM 664 CG PRO B 208 -1.160 -4.804 -5.944 1.00 15.00 C ATOM 665 CD PRO B 208 -1.788 -5.476 -7.128 1.00 15.00 C ATOM 0 HA PRO B 208 -4.275 -4.743 -5.120 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.049 -2.886 -5.602 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.188 -3.993 -4.250 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.295 -4.214 -6.247 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.806 -5.541 -5.223 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.655 -4.897 -8.042 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.360 -6.462 -7.310 1.00 15.00 H new ATOM 673 N PRO B 209 -4.923 -2.405 -5.821 1.00 15.00 N ATOM 674 CA PRO B 209 -5.612 -1.201 -6.304 1.00 15.00 C ATOM 675 C PRO B 209 -4.774 -0.372 -7.276 1.00 15.00 C ATOM 676 O PRO B 209 -3.571 -0.206 -7.078 1.00 15.00 O ATOM 677 CB PRO B 209 -5.816 -0.368 -5.030 1.00 15.00 C ATOM 678 CG PRO B 209 -5.639 -1.284 -3.871 1.00 15.00 C ATOM 679 CD PRO B 209 -5.062 -2.574 -4.370 1.00 15.00 C ATOM 0 HA PRO B 209 -6.521 -1.474 -6.840 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -5.097 0.450 -4.987 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.810 0.079 -5.018 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.978 -0.834 -3.130 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.595 -1.462 -3.379 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.098 -2.779 -3.904 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.715 -3.414 -4.133 1.00 15.00 H new ATOM 687 N PRO B 210 -5.413 0.184 -8.324 1.00 15.00 N ATOM 688 CA PRO B 210 -4.762 1.122 -9.252 1.00 15.00 C ATOM 689 C PRO B 210 -4.109 2.280 -8.501 1.00 15.00 C ATOM 690 O PRO B 210 -4.648 2.754 -7.494 1.00 15.00 O ATOM 691 CB PRO B 210 -5.925 1.625 -10.113 1.00 15.00 C ATOM 692 CG PRO B 210 -6.930 0.528 -10.064 1.00 15.00 C ATOM 693 CD PRO B 210 -6.820 -0.065 -8.689 1.00 15.00 C ATOM 0 HA PRO B 210 -3.963 0.658 -9.831 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -6.335 2.556 -9.721 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.604 1.824 -11.136 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.935 0.909 -10.246 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.729 -0.221 -10.830 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.507 0.411 -7.990 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -7.053 -1.130 -8.690 1.00 15.00 H new ATOM 701 N TYR B 211 -2.970 2.754 -8.997 1.00 15.00 N ATOM 702 CA TYR B 211 -2.169 3.709 -8.247 1.00 15.00 C ATOM 703 C TYR B 211 -2.835 5.084 -8.150 1.00 15.00 C ATOM 704 O TYR B 211 -2.842 5.862 -9.103 1.00 15.00 O ATOM 705 CB TYR B 211 -0.765 3.864 -8.831 1.00 15.00 C ATOM 706 CG TYR B 211 0.115 4.744 -7.970 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.521 4.310 -6.718 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.521 6.008 -8.390 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.302 5.104 -5.909 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.307 6.808 -7.580 1.00 15.00 C ATOM 711 CZ TYR B 211 1.691 6.348 -6.342 1.00 15.00 C ATOM 712 OH TYR B 211 2.475 7.130 -5.532 1.00 15.00 O ATOM 0 H TYR B 211 -2.586 2.494 -9.906 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.088 3.296 -7.242 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.305 2.881 -8.933 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.834 4.290 -9.832 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.220 3.333 -6.371 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.218 6.369 -9.362 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.608 4.749 -4.936 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.617 7.786 -7.917 1.00 15.00 H new ATOM 0 HH TYR B 211 1.926 7.512 -4.815 1.00 15.00 H new ATOM 722 N SER B 212 -3.434 5.341 -7.002 1.00 15.00 N ATOM 723 CA SER B 212 -3.897 6.658 -6.622 1.00 15.00 C ATOM 724 C SER B 212 -3.106 7.051 -5.383 1.00 15.00 C ATOM 725 O SER B 212 -2.702 6.162 -4.631 1.00 15.00 O ATOM 726 CB SER B 212 -5.403 6.620 -6.326 1.00 15.00 C ATOM 727 OG SER B 212 -5.918 7.914 -6.054 1.00 15.00 O ATOM 0 H SER B 212 -3.614 4.626 -6.297 1.00 15.00 H new ATOM 0 HA SER B 212 -3.746 7.384 -7.421 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.930 6.190 -7.178 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.590 5.967 -5.473 1.00 15.00 H new ATOM 0 HG SER B 212 -6.879 7.852 -5.872 1.00 15.00 H new ATOM 733 N ARG B 213 -2.861 8.342 -5.158 1.00 15.00 N ATOM 734 CA ARG B 213 -2.072 8.739 -3.993 1.00 15.00 C ATOM 735 C ARG B 213 -2.791 8.236 -2.755 1.00 15.00 C ATOM 736 O ARG B 213 -2.211 7.557 -1.910 1.00 15.00 O ATOM 737 CB ARG B 213 -1.917 10.267 -3.852 1.00 15.00 C ATOM 738 CG ARG B 213 -1.897 11.061 -5.142 1.00 15.00 C ATOM 739 CD ARG B 213 -0.693 10.730 -6.003 1.00 15.00 C ATOM 740 NE ARG B 213 0.543 11.262 -5.432 1.00 15.00 N ATOM 741 CZ ARG B 213 1.650 11.503 -6.136 1.00 15.00 C ATOM 742 NH1 ARG B 213 1.671 11.306 -7.449 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 2.726 11.984 -5.521 1.00 15.00 N ATOM 0 H ARG B 213 -3.186 9.109 -5.747 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.075 8.316 -4.114 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.735 10.638 -3.234 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -0.992 10.469 -3.312 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -2.809 10.860 -5.704 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.894 12.126 -4.910 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.608 9.649 -6.110 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.837 11.139 -7.003 1.00 15.00 H new ATOM 0 HE ARG B 213 0.560 11.462 -4.432 1.00 15.00 H new ATOM 0 HH11 ARG B 213 0.836 10.968 -7.927 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.522 11.493 -7.979 1.00 15.00 H new ATOM 0 HH21 ARG B 213 2.701 12.166 -4.518 1.00 15.00 H new ATOM 0 HH22 ARG B 213 3.576 12.171 -6.052 1.00 15.00 H new ATOM 757 N TYR B 214 -4.054 8.608 -2.653 1.00 15.00 N ATOM 758 CA TYR B 214 -4.926 8.108 -1.613 1.00 15.00 C ATOM 759 C TYR B 214 -6.104 7.406 -2.265 1.00 15.00 C ATOM 760 O TYR B 214 -7.070 8.039 -2.687 1.00 15.00 O ATOM 761 CB TYR B 214 -5.376 9.262 -0.705 1.00 15.00 C ATOM 762 CG TYR B 214 -4.249 10.232 -0.427 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.901 11.190 -1.371 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.505 10.162 0.742 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.847 12.050 -1.165 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.451 11.027 0.963 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.123 11.965 0.008 1.00 15.00 C ATOM 768 OH TYR B 214 -1.063 12.817 0.229 1.00 15.00 O ATOM 0 H TYR B 214 -4.502 9.266 -3.291 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.400 7.391 -0.983 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.204 9.792 -1.175 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.749 8.859 0.237 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.470 11.261 -2.286 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.753 9.422 1.488 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.588 12.784 -1.913 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -1.886 10.968 1.881 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.664 12.623 1.103 1.00 15.00 H new ATOM 778 N PRO B 215 -5.987 6.093 -2.428 1.00 15.00 N ATOM 779 CA PRO B 215 -6.990 5.276 -3.086 1.00 15.00 C ATOM 780 C PRO B 215 -8.084 4.835 -2.123 1.00 15.00 C ATOM 781 O PRO B 215 -7.804 4.224 -1.097 1.00 15.00 O ATOM 782 CB PRO B 215 -6.185 4.064 -3.585 1.00 15.00 C ATOM 783 CG PRO B 215 -4.809 4.188 -2.988 1.00 15.00 C ATOM 784 CD PRO B 215 -4.858 5.290 -1.979 1.00 15.00 C ATOM 0 HA PRO B 215 -7.508 5.813 -3.881 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.658 3.131 -3.278 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.136 4.053 -4.674 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.508 3.251 -2.519 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.073 4.408 -3.762 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.011 4.907 -0.970 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.933 5.866 -1.965 1.00 15.00 H new ATOM 792 N MET B 216 -9.325 5.160 -2.441 1.00 15.00 N ATOM 793 CA MET B 216 -10.446 4.774 -1.598 1.00 15.00 C ATOM 794 C MET B 216 -10.776 3.295 -1.790 1.00 15.00 C ATOM 795 O MET B 216 -11.428 2.904 -2.760 1.00 15.00 O ATOM 796 CB MET B 216 -11.682 5.655 -1.851 1.00 15.00 C ATOM 797 CG MET B 216 -12.104 5.771 -3.313 1.00 15.00 C ATOM 798 SD MET B 216 -10.967 6.769 -4.303 1.00 15.00 S ATOM 799 CE MET B 216 -11.084 8.352 -3.467 1.00 15.00 C ATOM 0 H MET B 216 -9.583 5.689 -3.274 1.00 15.00 H new ATOM 0 HA MET B 216 -10.149 4.930 -0.561 1.00 15.00 H new ATOM 0 HB2 MET B 216 -12.518 5.254 -1.278 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.482 6.655 -1.466 1.00 15.00 H new ATOM 0 HG2 MET B 216 -12.172 4.773 -3.745 1.00 15.00 H new ATOM 0 HG3 MET B 216 -13.101 6.209 -3.363 1.00 15.00 H new ATOM 0 HE1 MET B 216 -10.810 9.149 -4.158 1.00 15.00 H new ATOM 0 HE2 MET B 216 -12.106 8.506 -3.122 1.00 15.00 H new ATOM 0 HE3 MET B 216 -10.407 8.363 -2.613 1.00 15.00 H new ATOM 809 N ASP B 217 -10.278 2.477 -0.877 1.00 15.00 N ATOM 810 CA ASP B 217 -10.452 1.032 -0.939 1.00 15.00 C ATOM 811 C ASP B 217 -10.647 0.486 0.463 1.00 15.00 C ATOM 812 O ASP B 217 -10.100 1.097 1.405 1.00 15.00 O ATOM 813 CB ASP B 217 -9.237 0.354 -1.584 1.00 15.00 C ATOM 814 CG ASP B 217 -9.158 0.563 -3.085 1.00 15.00 C ATOM 815 OD1 ASP B 217 -9.735 -0.258 -3.835 1.00 15.00 O ATOM 816 OD2 ASP B 217 -8.509 1.538 -3.522 1.00 15.00 O1- ATOM 817 OXT ASP B 217 -11.324 -0.554 0.619 1.00 15.00 O ATOM 0 H ASP B 217 -9.741 2.795 -0.070 1.00 15.00 H new ATOM 0 HA ASP B 217 -11.329 0.819 -1.550 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -8.328 0.739 -1.122 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -9.273 -0.715 -1.375 1.00 15.00 H new TER 822 ASP B 217