USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 315 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 318 HIS : +bothHN:sc= -2.69! C(o=-2!,f=-12!) USER MOD Set 1.2: B 211 TYR OH : rot 55:sc= -0.256! USER MOD Set 1.3: B 214 TYR OH : rot 180:sc= 0.963 USER MOD Set 2.1: A 324 GLN : amide:sc= -0.628 X(o=-0.31,f=-0.53) USER MOD Set 2.2: A 326 THR OG1 : rot -170:sc= 0.319 USER MOD Set 3.1: A 320 ASN : amide:sc= 1.18 K(o=2.1,f=0.53) USER MOD Set 3.2: A 322 THR OG1 : rot -140:sc= 0.967 USER MOD Single : A 307 ASN : amide:sc= -0.741 K(o=-0.74,f=-5.1!) USER MOD Single : A 308 THR OG1 : rot -110:sc= 0.0405 USER MOD Single : A 310 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 TYR OH : rot 100:sc= -1.05 USER MOD Single : A 319 ASN : amide:sc= -0.0175 K(o=-0.018,f=-1.6!) USER MOD Single : A 323 THR OG1 : rot -153:sc= -2.85! USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 299 6.174 6.094 9.908 1.00 15.00 N ATOM 25 CA LEU A 299 5.764 5.959 8.524 1.00 15.00 C ATOM 26 C LEU A 299 6.582 6.914 7.667 1.00 15.00 C ATOM 27 O LEU A 299 6.577 8.122 7.918 1.00 15.00 O ATOM 28 CB LEU A 299 4.274 6.280 8.376 1.00 15.00 C ATOM 29 CG LEU A 299 3.711 6.120 6.962 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.625 4.649 6.578 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.351 6.787 6.859 1.00 15.00 C ATOM 0 HA LEU A 299 5.932 4.932 8.199 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.711 5.634 9.049 1.00 15.00 H new ATOM 0 HB3 LEU A 299 4.105 7.306 8.703 1.00 15.00 H new ATOM 0 HG LEU A 299 4.388 6.609 6.262 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.222 4.559 5.569 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.620 4.205 6.612 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.971 4.128 7.277 1.00 15.00 H new ATOM 0 HD21 LEU A 299 1.962 6.666 5.848 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.665 6.326 7.570 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.448 7.849 7.085 1.00 15.00 H new ATOM 43 N PRO A 300 7.292 6.410 6.649 1.00 15.00 N ATOM 44 CA PRO A 300 8.148 7.252 5.810 1.00 15.00 C ATOM 45 C PRO A 300 7.321 8.174 4.915 1.00 15.00 C ATOM 46 O PRO A 300 6.354 7.736 4.301 1.00 15.00 O ATOM 47 CB PRO A 300 8.935 6.245 4.961 1.00 15.00 C ATOM 48 CG PRO A 300 8.652 4.900 5.550 1.00 15.00 C ATOM 49 CD PRO A 300 7.306 5.008 6.197 1.00 15.00 C ATOM 0 HA PRO A 300 8.788 7.907 6.401 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.624 6.287 3.917 1.00 15.00 H new ATOM 0 HB3 PRO A 300 10.002 6.465 4.985 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.654 4.129 4.780 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.414 4.625 6.279 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.499 4.798 5.496 1.00 15.00 H new ATOM 0 HD3 PRO A 300 7.196 4.311 7.028 1.00 15.00 H new ATOM 57 N PRO A 301 7.701 9.461 4.817 1.00 15.00 N ATOM 58 CA PRO A 301 6.939 10.469 4.056 1.00 15.00 C ATOM 59 C PRO A 301 6.878 10.187 2.552 1.00 15.00 C ATOM 60 O PRO A 301 6.053 10.759 1.838 1.00 15.00 O ATOM 61 CB PRO A 301 7.694 11.779 4.319 1.00 15.00 C ATOM 62 CG PRO A 301 8.533 11.508 5.521 1.00 15.00 C ATOM 63 CD PRO A 301 8.884 10.051 5.459 1.00 15.00 C ATOM 0 HA PRO A 301 5.896 10.484 4.373 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.309 12.058 3.464 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.003 12.603 4.498 1.00 15.00 H new ATOM 0 HG2 PRO A 301 9.431 12.126 5.518 1.00 15.00 H new ATOM 0 HG3 PRO A 301 7.989 11.740 6.437 1.00 15.00 H new ATOM 0 HD2 PRO A 301 9.789 9.877 4.878 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.057 9.634 6.451 1.00 15.00 H new ATOM 71 N GLY A 302 7.777 9.337 2.071 1.00 15.00 N ATOM 72 CA GLY A 302 7.746 8.934 0.675 1.00 15.00 C ATOM 73 C GLY A 302 6.830 7.746 0.464 1.00 15.00 C ATOM 74 O GLY A 302 6.438 7.428 -0.662 1.00 15.00 O ATOM 0 H GLY A 302 8.527 8.919 2.621 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.409 9.769 0.061 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.754 8.682 0.345 1.00 15.00 H new ATOM 78 N TRP A 303 6.486 7.109 1.571 1.00 15.00 N ATOM 79 CA TRP A 303 5.644 5.928 1.576 1.00 15.00 C ATOM 80 C TRP A 303 4.204 6.298 1.868 1.00 15.00 C ATOM 81 O TRP A 303 3.939 7.259 2.592 1.00 15.00 O ATOM 82 CB TRP A 303 6.121 4.952 2.635 1.00 15.00 C ATOM 83 CG TRP A 303 7.177 4.019 2.162 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.525 4.231 2.143 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.968 2.713 1.639 1.00 15.00 C ATOM 86 NE1 TRP A 303 9.162 3.121 1.665 1.00 15.00 N ATOM 87 CE2 TRP A 303 8.225 2.181 1.347 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.838 1.932 1.397 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.380 0.914 0.831 1.00 15.00 C ATOM 90 CZ3 TRP A 303 6.003 0.673 0.881 1.00 15.00 C ATOM 91 CH2 TRP A 303 7.265 0.173 0.605 1.00 15.00 C ATOM 0 H TRP A 303 6.788 7.402 2.500 1.00 15.00 H new ATOM 0 HA TRP A 303 5.706 5.467 0.590 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.502 5.514 3.488 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.270 4.372 2.990 1.00 15.00 H new ATOM 0 HD1 TRP A 303 9.015 5.140 2.459 1.00 15.00 H new ATOM 0 HE1 TRP A 303 10.171 3.013 1.563 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.850 2.313 1.612 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.362 0.520 0.612 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 5.135 0.061 0.686 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.364 -0.824 0.203 1.00 15.00 H new ATOM 102 N GLU A 304 3.278 5.525 1.337 1.00 15.00 N ATOM 103 CA GLU A 304 1.860 5.821 1.543 1.00 15.00 C ATOM 104 C GLU A 304 1.100 4.588 2.027 1.00 15.00 C ATOM 105 O GLU A 304 0.980 3.607 1.305 1.00 15.00 O ATOM 106 CB GLU A 304 1.260 6.371 0.246 1.00 15.00 C ATOM 107 CG GLU A 304 1.675 7.801 -0.055 1.00 15.00 C ATOM 108 CD GLU A 304 0.822 8.819 0.671 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.397 8.539 1.804 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.551 9.896 0.090 1.00 15.00 O ATOM 0 H GLU A 304 3.468 4.700 0.768 1.00 15.00 H new ATOM 0 HA GLU A 304 1.767 6.577 2.323 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.561 5.731 -0.584 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.173 6.322 0.309 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.719 7.940 0.227 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.609 7.976 -1.129 1.00 15.00 H new ATOM 117 N ILE A 305 0.565 4.657 3.245 1.00 15.00 N ATOM 118 CA ILE A 305 -0.081 3.498 3.866 1.00 15.00 C ATOM 119 C ILE A 305 -1.573 3.458 3.519 1.00 15.00 C ATOM 120 O ILE A 305 -2.320 4.393 3.809 1.00 15.00 O ATOM 121 CB ILE A 305 0.105 3.494 5.404 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.604 2.286 6.028 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.398 4.794 6.022 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.385 2.156 7.520 1.00 15.00 C ATOM 0 H ILE A 305 0.565 5.499 3.821 1.00 15.00 H new ATOM 0 HA ILE A 305 0.402 2.606 3.466 1.00 15.00 H new ATOM 0 HB ILE A 305 1.171 3.415 5.615 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.674 2.362 5.832 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.254 1.377 5.538 1.00 15.00 H new ATOM 0 HG21 ILE A 305 -0.255 4.763 7.102 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.159 5.634 5.606 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.458 4.916 5.800 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.916 1.280 7.891 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.680 2.047 7.723 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.761 3.047 8.022 1.00 15.00 H new ATOM 136 N ARG A 306 -2.001 2.372 2.885 1.00 15.00 N ATOM 137 CA ARG A 306 -3.327 2.296 2.299 1.00 15.00 C ATOM 138 C ARG A 306 -3.860 0.870 2.359 1.00 15.00 C ATOM 139 O ARG A 306 -3.196 -0.075 1.958 1.00 15.00 O ATOM 140 CB ARG A 306 -3.165 2.866 0.890 1.00 15.00 C ATOM 141 CG ARG A 306 -3.408 4.363 0.878 1.00 15.00 C ATOM 142 CD ARG A 306 -2.594 5.110 -0.160 1.00 15.00 C ATOM 143 NE ARG A 306 -2.062 6.359 0.415 1.00 15.00 N ATOM 144 CZ ARG A 306 -2.804 7.294 1.039 1.00 15.00 C ATOM 145 NH1 ARG A 306 -4.135 7.231 1.032 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -2.211 8.308 1.658 1.00 15.00 N ATOM 0 H ARG A 306 -1.441 1.528 2.765 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.080 2.871 2.838 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -2.161 2.654 0.521 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -3.864 2.375 0.213 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.467 4.548 0.697 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.178 4.766 1.864 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -1.774 4.483 -0.510 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -3.215 5.335 -1.027 1.00 15.00 H new ATOM 0 HE ARG A 306 -1.059 6.527 0.334 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -4.607 6.466 0.549 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -4.682 7.947 1.510 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -1.193 8.379 1.661 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -2.773 9.016 2.131 1.00 15.00 H new ATOM 160 N ASN A 307 -5.054 0.716 2.906 1.00 15.00 N ATOM 161 CA ASN A 307 -5.585 -0.607 3.204 1.00 15.00 C ATOM 162 C ASN A 307 -6.912 -0.826 2.471 1.00 15.00 C ATOM 163 O ASN A 307 -7.758 0.066 2.454 1.00 15.00 O ATOM 164 CB ASN A 307 -5.785 -0.734 4.722 1.00 15.00 C ATOM 165 CG ASN A 307 -5.966 -2.168 5.195 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.477 -3.025 4.479 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.550 -2.436 6.422 1.00 15.00 N ATOM 0 H ASN A 307 -5.674 1.487 3.153 1.00 15.00 H new ATOM 0 HA ASN A 307 -4.881 -1.367 2.865 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -4.925 -0.298 5.231 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.658 -0.151 5.015 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.649 -3.378 6.800 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.130 -1.700 6.990 1.00 15.00 H new ATOM 174 N THR A 308 -7.094 -2.000 1.869 1.00 15.00 N ATOM 175 CA THR A 308 -8.347 -2.324 1.208 1.00 15.00 C ATOM 176 C THR A 308 -9.274 -3.050 2.173 1.00 15.00 C ATOM 177 O THR A 308 -8.804 -3.772 3.059 1.00 15.00 O ATOM 178 CB THR A 308 -8.121 -3.202 -0.041 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.854 -3.873 0.046 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.194 -2.380 -1.325 1.00 15.00 C ATOM 0 H THR A 308 -6.390 -2.737 1.828 1.00 15.00 H new ATOM 0 HA THR A 308 -8.803 -1.386 0.890 1.00 15.00 H new ATOM 0 HB THR A 308 -8.918 -3.944 -0.074 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.238 -3.495 -0.616 1.00 15.00 H new ATOM 0 HG21 THR A 308 -8.030 -3.031 -2.184 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.177 -1.915 -1.404 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.427 -1.606 -1.305 1.00 15.00 H new ATOM 188 N ALA A 309 -10.581 -2.869 1.992 1.00 15.00 N ATOM 189 CA ALA A 309 -11.585 -3.462 2.875 1.00 15.00 C ATOM 190 C ALA A 309 -11.501 -4.989 2.897 1.00 15.00 C ATOM 191 O ALA A 309 -11.991 -5.631 3.826 1.00 15.00 O ATOM 192 CB ALA A 309 -12.979 -3.015 2.463 1.00 15.00 C ATOM 0 H ALA A 309 -10.973 -2.310 1.234 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.379 -3.111 3.886 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.717 -3.464 3.128 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.046 -1.929 2.526 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.175 -3.332 1.438 1.00 15.00 H new ATOM 198 N THR A 310 -10.887 -5.564 1.871 1.00 15.00 N ATOM 199 CA THR A 310 -10.641 -6.999 1.834 1.00 15.00 C ATOM 200 C THR A 310 -9.652 -7.410 2.937 1.00 15.00 C ATOM 201 O THR A 310 -9.542 -8.585 3.282 1.00 15.00 O ATOM 202 CB THR A 310 -10.100 -7.427 0.452 1.00 15.00 C ATOM 203 OG1 THR A 310 -10.927 -6.872 -0.578 1.00 15.00 O ATOM 204 CG2 THR A 310 -10.072 -8.943 0.310 1.00 15.00 C ATOM 0 H THR A 310 -10.550 -5.057 1.052 1.00 15.00 H new ATOM 0 HA THR A 310 -11.590 -7.506 2.009 1.00 15.00 H new ATOM 0 HB THR A 310 -9.080 -7.055 0.359 1.00 15.00 H new ATOM 0 HG1 THR A 310 -10.583 -7.142 -1.455 1.00 15.00 H new ATOM 0 HG21 THR A 310 -9.686 -9.209 -0.674 1.00 15.00 H new ATOM 0 HG22 THR A 310 -9.428 -9.369 1.080 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.082 -9.338 0.423 1.00 15.00 H new ATOM 212 N GLY A 311 -8.951 -6.430 3.498 1.00 15.00 N ATOM 213 CA GLY A 311 -8.025 -6.699 4.581 1.00 15.00 C ATOM 214 C GLY A 311 -6.604 -6.871 4.098 1.00 15.00 C ATOM 215 O GLY A 311 -5.920 -7.814 4.491 1.00 15.00 O ATOM 0 H GLY A 311 -9.009 -5.450 3.220 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.064 -5.881 5.300 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.338 -7.601 5.107 1.00 15.00 H new ATOM 219 N ARG A 312 -6.153 -5.960 3.245 1.00 15.00 N ATOM 220 CA ARG A 312 -4.805 -6.047 2.685 1.00 15.00 C ATOM 221 C ARG A 312 -4.168 -4.661 2.647 1.00 15.00 C ATOM 222 O ARG A 312 -4.808 -3.700 2.211 1.00 15.00 O ATOM 223 CB ARG A 312 -4.836 -6.601 1.262 1.00 15.00 C ATOM 224 CG ARG A 312 -5.722 -7.806 1.038 1.00 15.00 C ATOM 225 CD ARG A 312 -5.913 -8.027 -0.451 1.00 15.00 C ATOM 226 NE ARG A 312 -6.790 -7.021 -1.047 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.021 -6.910 -2.357 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.486 -7.777 -3.212 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -7.803 -5.936 -2.809 1.00 15.00 N ATOM 0 H ARG A 312 -6.694 -5.157 2.926 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.224 -6.717 3.320 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.161 -5.806 0.591 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -3.818 -6.865 0.974 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.273 -8.689 1.492 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.688 -7.655 1.520 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -4.943 -8.003 -0.948 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.333 -9.019 -0.619 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.255 -6.362 -0.422 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.894 -8.533 -2.868 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.667 -7.685 -4.212 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.225 -5.276 -2.156 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.982 -5.848 -3.809 1.00 15.00 H new ATOM 243 N VAL A 313 -2.905 -4.555 3.046 1.00 15.00 N ATOM 244 CA VAL A 313 -2.262 -3.252 3.144 1.00 15.00 C ATOM 245 C VAL A 313 -1.239 -3.015 2.021 1.00 15.00 C ATOM 246 O VAL A 313 -0.097 -3.452 2.088 1.00 15.00 O ATOM 247 CB VAL A 313 -1.579 -3.051 4.508 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.408 -1.569 4.795 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.367 -3.725 5.622 1.00 15.00 C ATOM 0 H VAL A 313 -2.314 -5.345 3.304 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.063 -2.520 3.037 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.595 -3.517 4.468 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -0.924 -1.439 5.763 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -0.792 -1.117 4.018 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.385 -1.086 4.811 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -1.860 -3.566 6.574 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.369 -3.298 5.669 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.437 -4.794 5.423 1.00 15.00 H new ATOM 259 N TYR A 314 -1.692 -2.329 0.986 1.00 15.00 N ATOM 260 CA TYR A 314 -0.864 -1.840 -0.091 1.00 15.00 C ATOM 261 C TYR A 314 -0.344 -0.444 0.248 1.00 15.00 C ATOM 262 O TYR A 314 -1.102 0.485 0.533 1.00 15.00 O ATOM 263 CB TYR A 314 -1.694 -1.787 -1.396 1.00 15.00 C ATOM 264 CG TYR A 314 -2.952 -0.931 -1.285 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.058 -1.400 -0.594 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.017 0.356 -1.831 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.187 -0.626 -0.440 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.156 1.141 -1.682 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.233 0.639 -0.975 1.00 15.00 C ATOM 270 OH TYR A 314 -6.367 1.398 -0.810 1.00 15.00 O ATOM 0 H TYR A 314 -2.678 -2.092 0.873 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.016 -2.511 -0.228 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.069 -1.397 -2.199 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -1.978 -2.801 -1.678 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.034 -2.392 -0.168 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.170 0.746 -2.376 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.037 -1.014 0.102 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.198 2.130 -2.113 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.230 2.037 -0.080 1.00 15.00 H new ATOM 280 N PHE A 315 0.955 -0.309 0.261 1.00 15.00 N ATOM 281 CA PHE A 315 1.574 0.981 0.421 1.00 15.00 C ATOM 282 C PHE A 315 1.966 1.496 -0.938 1.00 15.00 C ATOM 283 O PHE A 315 2.761 0.874 -1.624 1.00 15.00 O ATOM 284 CB PHE A 315 2.821 0.895 1.290 1.00 15.00 C ATOM 285 CG PHE A 315 2.583 0.528 2.722 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.979 -0.668 3.054 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.993 1.375 3.738 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.784 -1.013 4.371 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.805 1.029 5.060 1.00 15.00 C ATOM 290 CZ PHE A 315 2.200 -0.168 5.374 1.00 15.00 C ATOM 0 H PHE A 315 1.611 -1.084 0.162 1.00 15.00 H new ATOM 0 HA PHE A 315 0.863 1.649 0.906 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.498 0.161 0.852 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.331 1.858 1.259 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.656 -1.339 2.272 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.464 2.315 3.493 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.304 -1.948 4.618 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.131 1.694 5.846 1.00 15.00 H new ATOM 0 HZ PHE A 315 2.052 -0.443 6.408 1.00 15.00 H new ATOM 300 N VAL A 316 1.425 2.615 -1.344 1.00 15.00 N ATOM 301 CA VAL A 316 1.812 3.156 -2.621 1.00 15.00 C ATOM 302 C VAL A 316 3.011 4.088 -2.434 1.00 15.00 C ATOM 303 O VAL A 316 2.965 5.017 -1.631 1.00 15.00 O ATOM 304 CB VAL A 316 0.646 3.867 -3.358 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.379 2.849 -3.824 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.041 4.912 -2.502 1.00 15.00 C ATOM 0 H VAL A 316 0.734 3.157 -0.826 1.00 15.00 H new ATOM 0 HA VAL A 316 2.097 2.323 -3.264 1.00 15.00 H new ATOM 0 HB VAL A 316 1.086 4.380 -4.213 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.192 3.361 -4.339 1.00 15.00 H new ATOM 0 HG12 VAL A 316 0.094 2.142 -4.505 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -0.777 2.312 -2.963 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -0.847 5.375 -3.071 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.451 4.439 -1.610 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.681 5.674 -2.209 1.00 15.00 H new ATOM 316 N ASP A 317 4.110 3.819 -3.134 1.00 15.00 N ATOM 317 CA ASP A 317 5.291 4.638 -2.989 1.00 15.00 C ATOM 318 C ASP A 317 5.189 5.753 -4.004 1.00 15.00 C ATOM 319 O ASP A 317 5.062 5.487 -5.202 1.00 15.00 O ATOM 320 CB ASP A 317 6.581 3.852 -3.274 1.00 15.00 C ATOM 321 CG ASP A 317 6.503 2.382 -2.956 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.972 1.626 -3.791 1.00 15.00 O ATOM 323 OD2 ASP A 317 7.035 1.975 -1.907 1.00 15.00 O1- ATOM 0 H ASP A 317 4.199 3.049 -3.797 1.00 15.00 H new ATOM 0 HA ASP A 317 5.340 5.003 -1.963 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.837 3.969 -4.327 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.394 4.292 -2.697 1.00 15.00 H new ATOM 328 N HIS A 318 5.217 6.995 -3.541 1.00 15.00 N ATOM 329 CA HIS A 318 5.145 8.136 -4.447 1.00 15.00 C ATOM 330 C HIS A 318 6.463 8.298 -5.194 1.00 15.00 C ATOM 331 O HIS A 318 6.548 9.024 -6.181 1.00 15.00 O ATOM 332 CB HIS A 318 4.790 9.429 -3.703 1.00 15.00 C ATOM 333 CG HIS A 318 3.354 9.532 -3.261 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.360 8.654 -3.645 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.751 10.441 -2.460 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.218 9.021 -3.102 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.421 10.103 -2.369 1.00 15.00 N ATOM 0 H HIS A 318 5.288 7.239 -2.553 1.00 15.00 H new ATOM 0 HA HIS A 318 4.349 7.941 -5.165 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.432 9.514 -2.826 1.00 15.00 H new ATOM 0 HB3 HIS A 318 5.018 10.277 -4.349 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.490 7.847 -4.255 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.229 11.281 -1.978 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.270 8.520 -3.234 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.713 10.601 -1.829 1.00 15.00 H new ATOM 346 N ASN A 319 7.496 7.627 -4.695 1.00 15.00 N ATOM 347 CA ASN A 319 8.813 7.649 -5.322 1.00 15.00 C ATOM 348 C ASN A 319 8.790 6.942 -6.673 1.00 15.00 C ATOM 349 O ASN A 319 9.062 7.552 -7.705 1.00 15.00 O ATOM 350 CB ASN A 319 9.851 6.988 -4.408 1.00 15.00 C ATOM 351 CG ASN A 319 10.195 7.833 -3.194 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.387 8.640 -2.730 1.00 15.00 O ATOM 353 ND2 ASN A 319 11.392 7.644 -2.664 1.00 15.00 N ATOM 0 H ASN A 319 7.445 7.057 -3.851 1.00 15.00 H new ATOM 0 HA ASN A 319 9.089 8.691 -5.483 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.472 6.022 -4.076 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.759 6.795 -4.979 1.00 15.00 H new ATOM 0 HD21 ASN A 319 11.675 8.176 -1.841 1.00 15.00 H new ATOM 0 HD22 ASN A 319 12.032 6.966 -3.078 1.00 15.00 H new ATOM 360 N ASN A 320 8.459 5.655 -6.663 1.00 15.00 N ATOM 361 CA ASN A 320 8.465 4.857 -7.888 1.00 15.00 C ATOM 362 C ASN A 320 7.067 4.787 -8.506 1.00 15.00 C ATOM 363 O ASN A 320 6.910 4.388 -9.658 1.00 15.00 O ATOM 364 CB ASN A 320 9.012 3.448 -7.614 1.00 15.00 C ATOM 365 CG ASN A 320 9.363 2.693 -8.888 1.00 15.00 C ATOM 366 OD1 ASN A 320 10.452 2.862 -9.442 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.465 1.837 -9.343 1.00 15.00 N ATOM 0 H ASN A 320 8.184 5.142 -5.825 1.00 15.00 H new ATOM 0 HA ASN A 320 9.123 5.346 -8.606 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.900 3.524 -6.986 1.00 15.00 H new ATOM 0 HB3 ASN A 320 8.271 2.879 -7.052 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.662 1.288 -10.180 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.575 1.725 -8.857 1.00 15.00 H new ATOM 374 N ARG A 321 6.058 5.166 -7.716 1.00 15.00 N ATOM 375 CA ARG A 321 4.657 5.181 -8.155 1.00 15.00 C ATOM 376 C ARG A 321 4.117 3.763 -8.305 1.00 15.00 C ATOM 377 O ARG A 321 3.527 3.407 -9.323 1.00 15.00 O ATOM 378 CB ARG A 321 4.494 5.965 -9.463 1.00 15.00 C ATOM 379 CG ARG A 321 4.909 7.422 -9.347 1.00 15.00 C ATOM 380 CD ARG A 321 4.927 8.100 -10.705 1.00 15.00 C ATOM 381 NE ARG A 321 5.852 7.441 -11.624 1.00 15.00 N ATOM 382 CZ ARG A 321 5.909 7.692 -12.930 1.00 15.00 C ATOM 383 NH1 ARG A 321 5.104 8.595 -13.477 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 6.775 7.040 -13.693 1.00 15.00 N ATOM 0 H ARG A 321 6.189 5.472 -6.752 1.00 15.00 H new ATOM 0 HA ARG A 321 4.074 5.687 -7.385 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.088 5.486 -10.242 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.452 5.915 -9.781 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.220 7.947 -8.685 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.898 7.486 -8.893 1.00 15.00 H new ATOM 0 HD2 ARG A 321 3.923 8.091 -11.130 1.00 15.00 H new ATOM 0 HD3 ARG A 321 5.214 9.145 -10.587 1.00 15.00 H new ATOM 0 HE ARG A 321 6.493 6.746 -11.241 1.00 15.00 H new ATOM 0 HH11 ARG A 321 4.436 9.102 -12.896 1.00 15.00 H new ATOM 0 HH12 ARG A 321 5.153 8.782 -14.478 1.00 15.00 H new ATOM 0 HH21 ARG A 321 7.398 6.346 -13.279 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.819 7.232 -14.694 1.00 15.00 H new ATOM 398 N THR A 322 4.318 2.964 -7.269 1.00 15.00 N ATOM 399 CA THR A 322 3.886 1.570 -7.273 1.00 15.00 C ATOM 400 C THR A 322 3.096 1.249 -6.003 1.00 15.00 C ATOM 401 O THR A 322 3.308 1.883 -4.978 1.00 15.00 O ATOM 402 CB THR A 322 5.103 0.636 -7.398 1.00 15.00 C ATOM 403 OG1 THR A 322 5.954 1.112 -8.449 1.00 15.00 O ATOM 404 CG2 THR A 322 4.675 -0.792 -7.709 1.00 15.00 C ATOM 0 H THR A 322 4.780 3.257 -6.408 1.00 15.00 H new ATOM 0 HA THR A 322 3.234 1.412 -8.132 1.00 15.00 H new ATOM 0 HB THR A 322 5.635 0.635 -6.446 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.300 0.351 -8.960 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.557 -1.427 -7.791 1.00 15.00 H new ATOM 0 HG22 THR A 322 4.035 -1.162 -6.908 1.00 15.00 H new ATOM 0 HG23 THR A 322 4.126 -0.810 -8.650 1.00 15.00 H new ATOM 412 N THR A 323 2.153 0.310 -6.072 1.00 15.00 N ATOM 413 CA THR A 323 1.436 -0.104 -4.874 1.00 15.00 C ATOM 414 C THR A 323 2.036 -1.399 -4.315 1.00 15.00 C ATOM 415 O THR A 323 2.408 -2.300 -5.070 1.00 15.00 O ATOM 416 CB THR A 323 -0.085 -0.262 -5.116 1.00 15.00 C ATOM 417 OG1 THR A 323 -0.766 -0.385 -3.868 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.410 -1.469 -5.968 1.00 15.00 C ATOM 0 H THR A 323 1.874 -0.168 -6.928 1.00 15.00 H new ATOM 0 HA THR A 323 1.554 0.691 -4.137 1.00 15.00 H new ATOM 0 HB THR A 323 -0.416 0.629 -5.649 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.595 -0.892 -3.996 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.489 -1.535 -6.108 1.00 15.00 H new ATOM 0 HG22 THR A 323 0.077 -1.371 -6.938 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.053 -2.371 -5.472 1.00 15.00 H new ATOM 426 N GLN A 324 2.143 -1.481 -2.992 1.00 15.00 N ATOM 427 CA GLN A 324 2.895 -2.548 -2.351 1.00 15.00 C ATOM 428 C GLN A 324 2.061 -3.312 -1.323 1.00 15.00 C ATOM 429 O GLN A 324 1.935 -2.876 -0.186 1.00 15.00 O ATOM 430 CB GLN A 324 4.123 -1.957 -1.638 1.00 15.00 C ATOM 431 CG GLN A 324 5.019 -1.106 -2.522 1.00 15.00 C ATOM 432 CD GLN A 324 5.762 -1.904 -3.580 1.00 15.00 C ATOM 433 OE1 GLN A 324 6.058 -1.399 -4.661 1.00 15.00 O ATOM 434 NE2 GLN A 324 6.077 -3.153 -3.281 1.00 15.00 N ATOM 0 H GLN A 324 1.716 -0.818 -2.344 1.00 15.00 H new ATOM 0 HA GLN A 324 3.193 -3.245 -3.135 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.783 -1.351 -0.798 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.714 -2.774 -1.223 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.414 -0.343 -3.012 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.743 -0.585 -1.896 1.00 15.00 H new ATOM 0 HE21 GLN A 324 5.816 -3.542 -2.375 1.00 15.00 H new ATOM 0 HE22 GLN A 324 6.581 -3.728 -3.957 1.00 15.00 H new ATOM 443 N PHE A 325 1.489 -4.446 -1.716 1.00 15.00 N ATOM 444 CA PHE A 325 0.916 -5.381 -0.742 1.00 15.00 C ATOM 445 C PHE A 325 2.036 -6.064 -0.013 1.00 15.00 C ATOM 446 O PHE A 325 1.842 -6.814 0.941 1.00 15.00 O ATOM 447 CB PHE A 325 0.020 -6.417 -1.389 1.00 15.00 C ATOM 448 CG PHE A 325 -1.387 -5.956 -1.479 1.00 15.00 C ATOM 449 CD1 PHE A 325 -1.968 -5.273 -0.419 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.131 -6.194 -2.617 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.274 -4.836 -0.521 1.00 15.00 C ATOM 452 CE2 PHE A 325 -3.434 -5.760 -2.711 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.005 -5.079 -1.665 1.00 15.00 C ATOM 0 H PHE A 325 1.408 -4.741 -2.689 1.00 15.00 H new ATOM 0 HA PHE A 325 0.295 -4.810 -0.052 1.00 15.00 H new ATOM 0 HB2 PHE A 325 0.392 -6.645 -2.388 1.00 15.00 H new ATOM 0 HB3 PHE A 325 0.062 -7.342 -0.815 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.401 -5.084 0.481 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -1.685 -6.727 -3.444 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -3.726 -4.300 0.301 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.006 -5.955 -3.606 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.026 -4.734 -1.738 1.00 15.00 H new ATOM 463 N THR A 326 3.204 -5.829 -0.538 1.00 15.00 N ATOM 464 CA THR A 326 4.422 -6.242 0.113 1.00 15.00 C ATOM 465 C THR A 326 4.747 -5.157 1.126 1.00 15.00 C ATOM 466 O THR A 326 5.445 -4.184 0.825 1.00 15.00 O ATOM 467 CB THR A 326 5.580 -6.426 -0.887 1.00 15.00 C ATOM 468 OG1 THR A 326 5.556 -5.383 -1.867 1.00 15.00 O ATOM 469 CG2 THR A 326 5.492 -7.782 -1.573 1.00 15.00 C ATOM 0 H THR A 326 3.343 -5.348 -1.426 1.00 15.00 H new ATOM 0 HA THR A 326 4.289 -7.213 0.591 1.00 15.00 H new ATOM 0 HB THR A 326 6.518 -6.377 -0.334 1.00 15.00 H new ATOM 0 HG1 THR A 326 6.191 -5.593 -2.584 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.320 -7.889 -2.274 1.00 15.00 H new ATOM 0 HG22 THR A 326 5.546 -8.573 -0.825 1.00 15.00 H new ATOM 0 HG23 THR A 326 4.548 -7.856 -2.112 1.00 15.00 H new ATOM 477 N ASP A 327 4.223 -5.321 2.323 1.00 15.00 N ATOM 478 CA ASP A 327 4.087 -4.228 3.244 1.00 15.00 C ATOM 479 C ASP A 327 4.996 -4.304 4.409 1.00 15.00 C ATOM 480 O ASP A 327 5.401 -5.368 4.870 1.00 15.00 O ATOM 481 CB ASP A 327 2.668 -4.056 3.752 1.00 15.00 C ATOM 482 CG ASP A 327 1.930 -5.354 4.050 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.588 -6.410 4.158 1.00 15.00 O1- ATOM 484 OD2 ASP A 327 0.695 -5.309 4.227 1.00 15.00 O ATOM 0 H ASP A 327 3.883 -6.215 2.677 1.00 15.00 H new ATOM 0 HA ASP A 327 4.368 -3.360 2.647 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.694 -3.453 4.660 1.00 15.00 H new ATOM 0 HB3 ASP A 327 2.099 -3.493 3.012 1.00 15.00 H new ATOM 489 N PRO A 328 5.324 -3.126 4.893 1.00 15.00 N ATOM 490 CA PRO A 328 5.963 -2.954 6.174 1.00 15.00 C ATOM 491 C PRO A 328 4.989 -3.447 7.262 1.00 15.00 C ATOM 492 O PRO A 328 5.343 -3.607 8.429 1.00 15.00 O ATOM 493 CB PRO A 328 6.251 -1.440 6.225 1.00 15.00 C ATOM 494 CG PRO A 328 6.047 -0.958 4.811 1.00 15.00 C ATOM 495 CD PRO A 328 5.001 -1.839 4.260 1.00 15.00 C ATOM 0 HA PRO A 328 6.884 -3.516 6.329 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.578 -0.933 6.916 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.267 -1.242 6.567 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.736 0.086 4.790 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.968 -1.028 4.232 1.00 15.00 H new ATOM 0 HD2 PRO A 328 4.000 -1.496 4.520 1.00 15.00 H new ATOM 0 HD3 PRO A 328 5.046 -1.896 3.172 1.00 15.00 H new ATOM 503 N ARG A 329 3.719 -3.620 6.842 1.00 15.00 N ATOM 504 CA ARG A 329 2.670 -4.225 7.665 1.00 15.00 C ATOM 505 C ARG A 329 2.834 -5.742 7.792 1.00 15.00 C ATOM 506 O ARG A 329 2.186 -6.368 8.630 1.00 15.00 O ATOM 507 CB ARG A 329 1.264 -3.901 7.110 1.00 15.00 C ATOM 508 CG ARG A 329 0.818 -2.474 7.405 1.00 15.00 C ATOM 509 CD ARG A 329 0.688 -2.211 8.905 1.00 15.00 C ATOM 510 NE ARG A 329 1.985 -2.218 9.594 1.00 15.00 N ATOM 511 CZ ARG A 329 2.148 -2.497 10.892 1.00 15.00 C ATOM 512 NH1 ARG A 329 1.101 -2.750 11.667 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 3.372 -2.521 11.412 1.00 15.00 N ATOM 0 H ARG A 329 3.398 -3.340 5.915 1.00 15.00 H new ATOM 0 HA ARG A 329 2.772 -3.789 8.659 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.260 -4.061 6.032 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.542 -4.597 7.538 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.535 -1.774 6.975 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.140 -2.286 6.920 1.00 15.00 H new ATOM 0 HD2 ARG A 329 0.203 -1.247 9.060 1.00 15.00 H new ATOM 0 HD3 ARG A 329 0.041 -2.968 9.348 1.00 15.00 H new ATOM 0 HE ARG A 329 2.816 -1.995 9.047 1.00 15.00 H new ATOM 0 HH11 ARG A 329 0.160 -2.733 11.274 1.00 15.00 H new ATOM 0 HH12 ARG A 329 1.237 -2.962 12.655 1.00 15.00 H new ATOM 0 HH21 ARG A 329 4.181 -2.327 10.822 1.00 15.00 H new ATOM 0 HH22 ARG A 329 3.502 -2.733 12.401 1.00 15.00 H new ATOM 645 N PRO B 207 -4.290 -9.376 -6.657 1.00 15.00 N ATOM 646 CA PRO B 207 -4.123 -8.207 -7.517 1.00 15.00 C ATOM 647 C PRO B 207 -4.458 -6.911 -6.782 1.00 15.00 C ATOM 648 O PRO B 207 -5.584 -6.728 -6.304 1.00 15.00 O ATOM 649 CB PRO B 207 -5.102 -8.446 -8.675 1.00 15.00 C ATOM 650 CG PRO B 207 -5.815 -9.736 -8.391 1.00 15.00 C ATOM 651 CD PRO B 207 -5.087 -10.427 -7.272 1.00 15.00 C ATOM 0 HA PRO B 207 -3.092 -8.093 -7.852 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.812 -7.623 -8.755 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.569 -8.501 -9.624 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.852 -9.546 -8.112 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -5.834 -10.366 -9.281 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.782 -10.868 -6.558 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.459 -11.235 -7.646 1.00 15.00 H new ATOM 659 N PRO B 208 -3.479 -5.997 -6.676 1.00 15.00 N ATOM 660 CA PRO B 208 -3.621 -4.786 -5.889 1.00 15.00 C ATOM 661 C PRO B 208 -4.236 -3.620 -6.655 1.00 15.00 C ATOM 662 O PRO B 208 -4.287 -3.618 -7.889 1.00 15.00 O ATOM 663 CB PRO B 208 -2.181 -4.464 -5.480 1.00 15.00 C ATOM 664 CG PRO B 208 -1.287 -5.183 -6.446 1.00 15.00 C ATOM 665 CD PRO B 208 -2.149 -6.082 -7.297 1.00 15.00 C ATOM 0 HA PRO B 208 -4.304 -4.937 -5.053 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.001 -3.389 -5.512 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -1.987 -4.789 -4.458 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.748 -4.470 -7.070 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.539 -5.768 -5.910 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -2.171 -5.748 -8.334 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.775 -7.106 -7.300 1.00 15.00 H new ATOM 673 N PRO B 209 -4.709 -2.614 -5.902 1.00 15.00 N ATOM 674 CA PRO B 209 -5.283 -1.380 -6.451 1.00 15.00 C ATOM 675 C PRO B 209 -4.386 -0.730 -7.501 1.00 15.00 C ATOM 676 O PRO B 209 -3.177 -0.601 -7.296 1.00 15.00 O ATOM 677 CB PRO B 209 -5.369 -0.465 -5.221 1.00 15.00 C ATOM 678 CG PRO B 209 -5.473 -1.380 -4.059 1.00 15.00 C ATOM 679 CD PRO B 209 -4.721 -2.622 -4.426 1.00 15.00 C ATOM 0 HA PRO B 209 -6.233 -1.566 -6.952 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.488 0.172 -5.142 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.235 0.194 -5.281 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.051 -0.921 -3.165 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.515 -1.609 -3.838 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -3.710 -2.610 -4.019 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.211 -3.514 -4.036 1.00 15.00 H new ATOM 687 N PRO B 210 -4.964 -0.318 -8.646 1.00 15.00 N ATOM 688 CA PRO B 210 -4.254 0.514 -9.625 1.00 15.00 C ATOM 689 C PRO B 210 -3.719 1.771 -8.946 1.00 15.00 C ATOM 690 O PRO B 210 -4.320 2.246 -7.981 1.00 15.00 O ATOM 691 CB PRO B 210 -5.340 0.868 -10.644 1.00 15.00 C ATOM 692 CG PRO B 210 -6.347 -0.221 -10.522 1.00 15.00 C ATOM 693 CD PRO B 210 -6.338 -0.633 -9.076 1.00 15.00 C ATOM 0 HA PRO B 210 -3.397 0.017 -10.079 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.782 1.841 -10.429 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -4.933 0.919 -11.654 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.336 0.126 -10.823 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.094 -1.061 -11.169 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.078 -0.082 -8.496 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.564 -1.693 -8.958 1.00 15.00 H new ATOM 701 N TYR B 211 -2.618 2.321 -9.445 1.00 15.00 N ATOM 702 CA TYR B 211 -1.941 3.397 -8.734 1.00 15.00 C ATOM 703 C TYR B 211 -2.755 4.687 -8.717 1.00 15.00 C ATOM 704 O TYR B 211 -2.706 5.500 -9.645 1.00 15.00 O ATOM 705 CB TYR B 211 -0.539 3.669 -9.285 1.00 15.00 C ATOM 706 CG TYR B 211 0.295 4.532 -8.357 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.656 4.066 -7.099 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.723 5.803 -8.729 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.415 4.835 -6.243 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.483 6.580 -7.868 1.00 15.00 C ATOM 711 CZ TYR B 211 1.825 6.086 -6.628 1.00 15.00 C ATOM 712 OH TYR B 211 2.593 6.839 -5.769 1.00 15.00 O ATOM 0 H TYR B 211 -2.181 2.045 -10.325 1.00 15.00 H new ATOM 0 HA TYR B 211 -1.840 3.048 -7.707 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.028 2.721 -9.451 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.623 4.160 -10.255 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.336 3.083 -6.786 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.459 6.190 -9.702 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.687 4.453 -5.270 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.805 7.566 -8.167 1.00 15.00 H new ATOM 0 HH TYR B 211 3.387 6.328 -5.507 1.00 15.00 H new ATOM 722 N SER B 212 -3.553 4.813 -7.680 1.00 15.00 N ATOM 723 CA SER B 212 -4.172 6.063 -7.313 1.00 15.00 C ATOM 724 C SER B 212 -3.480 6.544 -6.051 1.00 15.00 C ATOM 725 O SER B 212 -3.109 5.719 -5.212 1.00 15.00 O ATOM 726 CB SER B 212 -5.669 5.858 -7.067 1.00 15.00 C ATOM 727 OG SER B 212 -6.305 5.321 -8.218 1.00 15.00 O ATOM 0 H SER B 212 -3.792 4.038 -7.061 1.00 15.00 H new ATOM 0 HA SER B 212 -4.072 6.801 -8.109 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.814 5.186 -6.221 1.00 15.00 H new ATOM 0 HB3 SER B 212 -6.131 6.809 -6.802 1.00 15.00 H new ATOM 0 HG SER B 212 -7.260 5.197 -8.036 1.00 15.00 H new ATOM 733 N ARG B 213 -3.296 7.847 -5.903 1.00 15.00 N ATOM 734 CA ARG B 213 -2.553 8.359 -4.761 1.00 15.00 C ATOM 735 C ARG B 213 -3.235 7.945 -3.466 1.00 15.00 C ATOM 736 O ARG B 213 -2.633 7.290 -2.618 1.00 15.00 O ATOM 737 CB ARG B 213 -2.437 9.886 -4.788 1.00 15.00 C ATOM 738 CG ARG B 213 -1.888 10.464 -6.068 1.00 15.00 C ATOM 739 CD ARG B 213 -1.693 11.973 -5.981 1.00 15.00 C ATOM 740 NE ARG B 213 -1.093 12.398 -4.713 1.00 15.00 N ATOM 741 CZ ARG B 213 -0.298 13.462 -4.578 1.00 15.00 C ATOM 742 NH1 ARG B 213 0.141 14.115 -5.647 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 0.078 13.857 -3.367 1.00 15.00 N ATOM 0 H ARG B 213 -3.644 8.558 -6.546 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.550 7.935 -4.817 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -3.424 10.313 -4.609 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.799 10.201 -3.962 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -0.935 9.989 -6.300 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -2.567 10.234 -6.889 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -1.059 12.301 -6.805 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -2.657 12.467 -6.105 1.00 15.00 H new ATOM 0 HE ARG B 213 -1.296 11.845 -3.880 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -0.129 13.805 -6.581 1.00 15.00 H new ATOM 0 HH12 ARG B 213 0.748 14.927 -5.535 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -0.241 13.348 -2.543 1.00 15.00 H new ATOM 0 HH22 ARG B 213 0.685 14.670 -3.261 1.00 15.00 H new ATOM 757 N TYR B 214 -4.486 8.355 -3.307 1.00 15.00 N ATOM 758 CA TYR B 214 -5.215 8.080 -2.080 1.00 15.00 C ATOM 759 C TYR B 214 -6.469 7.270 -2.350 1.00 15.00 C ATOM 760 O TYR B 214 -7.494 7.781 -2.803 1.00 15.00 O ATOM 761 CB TYR B 214 -5.543 9.388 -1.345 1.00 15.00 C ATOM 762 CG TYR B 214 -4.358 10.332 -1.249 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.909 11.029 -2.365 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.670 10.503 -0.057 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.814 11.857 -2.298 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.571 11.340 0.019 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.145 12.010 -1.106 1.00 15.00 C ATOM 768 OH TYR B 214 -1.042 12.832 -1.041 1.00 15.00 O ATOM 0 H TYR B 214 -5.013 8.876 -4.008 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.575 7.478 -1.435 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.360 9.892 -1.861 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.896 9.154 -0.340 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.431 10.918 -3.304 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.997 9.974 0.826 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.480 12.386 -3.178 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.050 11.467 0.956 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.687 12.831 -0.128 1.00 15.00 H new ATOM 778 N PRO B 215 -6.347 5.978 -2.098 1.00 15.00 N ATOM 779 CA PRO B 215 -7.392 4.996 -2.269 1.00 15.00 C ATOM 780 C PRO B 215 -8.114 4.672 -0.958 1.00 15.00 C ATOM 781 O PRO B 215 -7.500 4.215 0.008 1.00 15.00 O ATOM 782 CB PRO B 215 -6.594 3.787 -2.766 1.00 15.00 C ATOM 783 CG PRO B 215 -5.191 3.986 -2.247 1.00 15.00 C ATOM 784 CD PRO B 215 -5.114 5.354 -1.664 1.00 15.00 C ATOM 0 HA PRO B 215 -8.187 5.326 -2.937 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -7.021 2.856 -2.394 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.605 3.731 -3.854 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.952 3.235 -1.494 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.465 3.872 -3.052 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.041 5.323 -0.577 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.241 5.896 -2.027 1.00 15.00 H new