USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=11 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= -2.83! C(o=-2.5!,f=-12!) USER MOD Set 1.2: B 211 TYR OH : rot 64:sc= -0.347 USER MOD Set 1.3: B 214 TYR OH : rot -124:sc= 0.63 USER MOD Single : A 307 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.8!) USER MOD Single : A 308 THR OG1 : rot -63:sc= 0.746 USER MOD Single : A 310 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 TYR OH : rot 130:sc= 0 USER MOD Single : A 319 ASN : amide:sc= -0.0265 X(o=-0.027,f=-0.21) USER MOD Single : A 320 ASN : amide:sc= 0.543 K(o=0.54,f=-0.34) USER MOD Single : A 322 THR OG1 : rot 55:sc= 0.2 USER MOD Single : A 323 THR OG1 : rot -142:sc= -1.24 USER MOD Single : A 324 GLN :FLIP amide:sc= -1.37 F(o=-6.3!,f=-1.4) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.172 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 299 4.809 5.983 10.180 1.00 15.00 N ATOM 25 CA LEU A 299 4.759 5.990 8.727 1.00 15.00 C ATOM 26 C LEU A 299 5.868 6.875 8.164 1.00 15.00 C ATOM 27 O LEU A 299 6.008 8.031 8.572 1.00 15.00 O ATOM 28 CB LEU A 299 3.401 6.505 8.245 1.00 15.00 C ATOM 29 CG LEU A 299 3.214 6.518 6.726 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.072 5.105 6.186 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.009 7.361 6.343 1.00 15.00 C ATOM 0 HA LEU A 299 4.901 4.969 8.373 1.00 15.00 H new ATOM 0 HB2 LEU A 299 2.618 5.888 8.687 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.259 7.518 8.622 1.00 15.00 H new ATOM 0 HG LEU A 299 4.102 6.964 6.279 1.00 15.00 H new ATOM 0 HD11 LEU A 299 2.940 5.140 5.105 1.00 15.00 H new ATOM 0 HD12 LEU A 299 3.969 4.533 6.424 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.205 4.627 6.642 1.00 15.00 H new ATOM 0 HD21 LEU A 299 1.893 7.358 5.259 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.113 6.946 6.805 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.156 8.384 6.689 1.00 15.00 H new ATOM 43 N PRO A 300 6.666 6.357 7.219 1.00 15.00 N ATOM 44 CA PRO A 300 7.700 7.147 6.548 1.00 15.00 C ATOM 45 C PRO A 300 7.079 8.161 5.586 1.00 15.00 C ATOM 46 O PRO A 300 6.163 7.825 4.843 1.00 15.00 O ATOM 47 CB PRO A 300 8.516 6.103 5.768 1.00 15.00 C ATOM 48 CG PRO A 300 8.045 4.773 6.259 1.00 15.00 C ATOM 49 CD PRO A 300 6.633 4.975 6.713 1.00 15.00 C ATOM 0 HA PRO A 300 8.303 7.723 7.250 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.356 6.203 4.694 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.584 6.230 5.944 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.097 4.025 5.468 1.00 15.00 H new ATOM 0 HG3 PRO A 300 8.670 4.416 7.077 1.00 15.00 H new ATOM 0 HD2 PRO A 300 5.921 4.857 5.896 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.349 4.264 7.488 1.00 15.00 H new ATOM 57 N PRO A 301 7.590 9.407 5.566 1.00 15.00 N ATOM 58 CA PRO A 301 7.030 10.488 4.737 1.00 15.00 C ATOM 59 C PRO A 301 7.129 10.213 3.235 1.00 15.00 C ATOM 60 O PRO A 301 6.542 10.927 2.420 1.00 15.00 O ATOM 61 CB PRO A 301 7.877 11.712 5.111 1.00 15.00 C ATOM 62 CG PRO A 301 8.528 11.356 6.405 1.00 15.00 C ATOM 63 CD PRO A 301 8.741 9.871 6.355 1.00 15.00 C ATOM 0 HA PRO A 301 5.963 10.612 4.924 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.620 11.927 4.343 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.258 12.603 5.214 1.00 15.00 H new ATOM 0 HG2 PRO A 301 9.474 11.884 6.526 1.00 15.00 H new ATOM 0 HG3 PRO A 301 7.898 11.633 7.250 1.00 15.00 H new ATOM 0 HD2 PRO A 301 9.688 9.613 5.880 1.00 15.00 H new ATOM 0 HD3 PRO A 301 8.753 9.430 7.352 1.00 15.00 H new ATOM 71 N GLY A 302 7.894 9.195 2.875 1.00 15.00 N ATOM 72 CA GLY A 302 8.013 8.803 1.485 1.00 15.00 C ATOM 73 C GLY A 302 6.978 7.764 1.103 1.00 15.00 C ATOM 74 O GLY A 302 6.749 7.503 -0.080 1.00 15.00 O ATOM 0 H GLY A 302 8.439 8.629 3.525 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.899 9.681 0.849 1.00 15.00 H new ATOM 0 HA3 GLY A 302 9.012 8.405 1.304 1.00 15.00 H new ATOM 78 N TRP A 303 6.369 7.170 2.117 1.00 15.00 N ATOM 79 CA TRP A 303 5.440 6.069 1.937 1.00 15.00 C ATOM 80 C TRP A 303 3.999 6.521 2.059 1.00 15.00 C ATOM 81 O TRP A 303 3.695 7.437 2.820 1.00 15.00 O ATOM 82 CB TRP A 303 5.694 5.000 2.978 1.00 15.00 C ATOM 83 CG TRP A 303 6.772 4.066 2.592 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.115 4.269 2.705 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.600 2.772 2.021 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.787 3.172 2.248 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.876 2.243 1.826 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.491 1.995 1.657 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.071 0.994 1.291 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.701 0.748 1.129 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.982 0.258 0.953 1.00 15.00 C ATOM 0 H TRP A 303 6.507 7.440 3.091 1.00 15.00 H new ATOM 0 HA TRP A 303 5.601 5.675 0.934 1.00 15.00 H new ATOM 0 HB2 TRP A 303 5.954 5.475 3.924 1.00 15.00 H new ATOM 0 HB3 TRP A 303 4.775 4.438 3.145 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.578 5.163 3.097 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.801 3.063 2.225 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.488 2.373 1.791 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.068 0.606 1.142 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.855 0.140 0.847 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.119 -0.730 0.538 1.00 15.00 H new ATOM 102 N GLU A 304 3.110 5.838 1.355 1.00 15.00 N ATOM 103 CA GLU A 304 1.687 6.192 1.411 1.00 15.00 C ATOM 104 C GLU A 304 0.871 4.964 1.828 1.00 15.00 C ATOM 105 O GLU A 304 0.877 3.952 1.144 1.00 15.00 O ATOM 106 CB GLU A 304 1.229 6.733 0.050 1.00 15.00 C ATOM 107 CG GLU A 304 2.059 7.902 -0.462 1.00 15.00 C ATOM 108 CD GLU A 304 1.744 9.227 0.213 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.777 9.899 -0.206 1.00 15.00 O ATOM 110 OE2 GLU A 304 2.497 9.632 1.118 1.00 15.00 O1- ATOM 0 H GLU A 304 3.334 5.050 0.748 1.00 15.00 H new ATOM 0 HA GLU A 304 1.530 6.975 2.152 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.266 5.926 -0.682 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.188 7.046 0.126 1.00 15.00 H new ATOM 0 HG2 GLU A 304 3.115 7.675 -0.318 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.899 8.006 -1.535 1.00 15.00 H new ATOM 117 N ILE A 305 0.173 5.046 2.955 1.00 15.00 N ATOM 118 CA ILE A 305 -0.450 3.856 3.545 1.00 15.00 C ATOM 119 C ILE A 305 -1.978 3.838 3.403 1.00 15.00 C ATOM 120 O ILE A 305 -2.658 4.792 3.790 1.00 15.00 O ATOM 121 CB ILE A 305 -0.085 3.725 5.046 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.762 2.499 5.669 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.473 4.986 5.809 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.342 2.238 7.101 1.00 15.00 C ATOM 0 H ILE A 305 0.023 5.910 3.476 1.00 15.00 H new ATOM 0 HA ILE A 305 -0.053 3.010 2.984 1.00 15.00 H new ATOM 0 HB ILE A 305 0.995 3.595 5.117 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.843 2.635 5.635 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.532 1.621 5.066 1.00 15.00 H new ATOM 0 HG21 ILE A 305 -0.208 4.871 6.860 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.058 5.842 5.392 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.547 5.148 5.722 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.860 1.356 7.477 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.734 2.070 7.140 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.597 3.100 7.718 1.00 15.00 H new ATOM 136 N ARG A 306 -2.511 2.746 2.838 1.00 15.00 N ATOM 137 CA ARG A 306 -3.951 2.479 2.858 1.00 15.00 C ATOM 138 C ARG A 306 -4.219 0.977 2.914 1.00 15.00 C ATOM 139 O ARG A 306 -3.425 0.176 2.422 1.00 15.00 O ATOM 140 CB ARG A 306 -4.689 3.086 1.660 1.00 15.00 C ATOM 141 CG ARG A 306 -4.686 4.602 1.643 1.00 15.00 C ATOM 142 CD ARG A 306 -5.930 5.157 0.976 1.00 15.00 C ATOM 143 NE ARG A 306 -7.153 4.593 1.555 1.00 15.00 N ATOM 144 CZ ARG A 306 -7.721 5.022 2.686 1.00 15.00 C ATOM 145 NH1 ARG A 306 -7.171 6.011 3.387 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.838 4.450 3.121 1.00 15.00 N ATOM 0 H ARG A 306 -1.961 2.032 2.360 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.337 2.959 3.757 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.232 2.721 0.740 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.721 2.734 1.664 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.622 4.977 2.664 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.801 4.958 1.116 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -5.945 6.242 1.079 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.899 4.939 -0.092 1.00 15.00 H new ATOM 0 HE ARG A 306 -7.601 3.821 1.061 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -6.309 6.448 3.062 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -7.612 6.332 4.249 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -9.259 3.686 2.592 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -9.275 4.775 3.984 1.00 15.00 H new ATOM 160 N ASN A 307 -5.334 0.604 3.529 1.00 15.00 N ATOM 161 CA ASN A 307 -5.716 -0.801 3.670 1.00 15.00 C ATOM 162 C ASN A 307 -7.029 -1.057 2.916 1.00 15.00 C ATOM 163 O ASN A 307 -7.929 -0.219 2.946 1.00 15.00 O ATOM 164 CB ASN A 307 -5.891 -1.119 5.162 1.00 15.00 C ATOM 165 CG ASN A 307 -5.911 -2.605 5.480 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.327 -3.435 4.677 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.455 -2.946 6.676 1.00 15.00 N ATOM 0 H ASN A 307 -5.997 1.259 3.943 1.00 15.00 H new ATOM 0 HA ASN A 307 -4.942 -1.443 3.250 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.081 -0.649 5.720 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.821 -0.671 5.512 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.442 -3.927 6.956 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.117 -2.228 7.317 1.00 15.00 H new ATOM 174 N THR A 308 -7.143 -2.208 2.252 1.00 15.00 N ATOM 175 CA THR A 308 -8.385 -2.560 1.565 1.00 15.00 C ATOM 176 C THR A 308 -9.307 -3.324 2.503 1.00 15.00 C ATOM 177 O THR A 308 -8.848 -4.130 3.318 1.00 15.00 O ATOM 178 CB THR A 308 -8.159 -3.413 0.293 1.00 15.00 C ATOM 179 OG1 THR A 308 -7.254 -4.492 0.567 1.00 15.00 O ATOM 180 CG2 THR A 308 -7.623 -2.576 -0.860 1.00 15.00 C ATOM 0 H THR A 308 -6.401 -2.904 2.176 1.00 15.00 H new ATOM 0 HA THR A 308 -8.837 -1.617 1.258 1.00 15.00 H new ATOM 0 HB THR A 308 -9.128 -3.817 -0.002 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.378 -4.129 0.814 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.478 -3.211 -1.734 1.00 15.00 H new ATOM 0 HG22 THR A 308 -8.336 -1.787 -1.099 1.00 15.00 H new ATOM 0 HG23 THR A 308 -6.671 -2.130 -0.574 1.00 15.00 H new ATOM 188 N ALA A 309 -10.606 -3.080 2.367 1.00 15.00 N ATOM 189 CA ALA A 309 -11.615 -3.683 3.235 1.00 15.00 C ATOM 190 C ALA A 309 -11.600 -5.211 3.166 1.00 15.00 C ATOM 191 O ALA A 309 -12.104 -5.882 4.070 1.00 15.00 O ATOM 192 CB ALA A 309 -12.995 -3.156 2.880 1.00 15.00 C ATOM 0 H ALA A 309 -10.990 -2.460 1.654 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.371 -3.402 4.259 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.738 -3.613 3.534 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.015 -2.074 3.008 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.223 -3.403 1.843 1.00 15.00 H new ATOM 198 N THR A 310 -11.022 -5.756 2.102 1.00 15.00 N ATOM 199 CA THR A 310 -10.878 -7.201 1.954 1.00 15.00 C ATOM 200 C THR A 310 -9.890 -7.763 2.988 1.00 15.00 C ATOM 201 O THR A 310 -9.833 -8.970 3.227 1.00 15.00 O ATOM 202 CB THR A 310 -10.395 -7.552 0.532 1.00 15.00 C ATOM 203 OG1 THR A 310 -11.098 -6.750 -0.427 1.00 15.00 O ATOM 204 CG2 THR A 310 -10.623 -9.024 0.224 1.00 15.00 C ATOM 0 H THR A 310 -10.643 -5.216 1.324 1.00 15.00 H new ATOM 0 HA THR A 310 -11.855 -7.653 2.122 1.00 15.00 H new ATOM 0 HB THR A 310 -9.326 -7.349 0.475 1.00 15.00 H new ATOM 0 HG1 THR A 310 -10.789 -6.973 -1.330 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.273 -9.243 -0.785 1.00 15.00 H new ATOM 0 HG22 THR A 310 -10.073 -9.635 0.940 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.687 -9.250 0.296 1.00 15.00 H new ATOM 212 N GLY A 311 -9.121 -6.870 3.604 1.00 15.00 N ATOM 213 CA GLY A 311 -8.144 -7.281 4.596 1.00 15.00 C ATOM 214 C GLY A 311 -6.743 -7.401 4.027 1.00 15.00 C ATOM 215 O GLY A 311 -5.984 -8.292 4.411 1.00 15.00 O ATOM 0 H GLY A 311 -9.158 -5.865 3.433 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.138 -6.561 5.414 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.443 -8.240 5.018 1.00 15.00 H new ATOM 219 N ARG A 312 -6.388 -6.502 3.118 1.00 15.00 N ATOM 220 CA ARG A 312 -5.066 -6.524 2.502 1.00 15.00 C ATOM 221 C ARG A 312 -4.477 -5.120 2.523 1.00 15.00 C ATOM 222 O ARG A 312 -5.145 -4.164 2.124 1.00 15.00 O ATOM 223 CB ARG A 312 -5.139 -6.996 1.049 1.00 15.00 C ATOM 224 CG ARG A 312 -5.961 -8.240 0.789 1.00 15.00 C ATOM 225 CD ARG A 312 -6.008 -8.512 -0.706 1.00 15.00 C ATOM 226 NE ARG A 312 -6.893 -7.575 -1.413 1.00 15.00 N ATOM 227 CZ ARG A 312 -6.927 -7.433 -2.743 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.176 -8.208 -3.518 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -7.730 -6.529 -3.303 1.00 15.00 N ATOM 0 H ARG A 312 -6.995 -5.750 2.791 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.442 -7.216 3.068 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.546 -6.185 0.446 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.124 -7.177 0.697 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.526 -9.092 1.311 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.971 -8.110 1.178 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.002 -8.440 -1.119 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.351 -9.532 -0.877 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.521 -6.997 -0.854 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.571 -8.914 -3.099 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.205 -8.097 -4.531 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.323 -5.941 -2.717 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.752 -6.425 -4.317 1.00 15.00 H new ATOM 243 N VAL A 313 -3.232 -4.981 2.951 1.00 15.00 N ATOM 244 CA VAL A 313 -2.639 -3.660 3.043 1.00 15.00 C ATOM 245 C VAL A 313 -1.697 -3.387 1.864 1.00 15.00 C ATOM 246 O VAL A 313 -0.848 -4.202 1.530 1.00 15.00 O ATOM 247 CB VAL A 313 -1.878 -3.448 4.362 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.770 -1.962 4.666 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.551 -4.188 5.505 1.00 15.00 C ATOM 0 H VAL A 313 -2.625 -5.750 3.234 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.470 -2.955 3.013 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.873 -3.856 4.252 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.230 -1.820 5.602 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.234 -1.463 3.858 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.769 -1.535 4.756 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -1.992 -4.021 6.426 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.570 -3.820 5.627 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.575 -5.255 5.284 1.00 15.00 H new ATOM 259 N TYR A 314 -1.842 -2.208 1.277 1.00 15.00 N ATOM 260 CA TYR A 314 -1.167 -1.803 0.075 1.00 15.00 C ATOM 261 C TYR A 314 -0.635 -0.390 0.294 1.00 15.00 C ATOM 262 O TYR A 314 -1.391 0.568 0.473 1.00 15.00 O ATOM 263 CB TYR A 314 -2.126 -1.848 -1.138 1.00 15.00 C ATOM 264 CG TYR A 314 -3.305 -0.895 -1.039 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.363 -1.156 -0.181 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.349 0.280 -1.790 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.424 -0.281 -0.068 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.413 1.159 -1.681 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.446 0.872 -0.815 1.00 15.00 C ATOM 270 OH TYR A 314 -6.505 1.741 -0.694 1.00 15.00 O ATOM 0 H TYR A 314 -2.460 -1.486 1.648 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.345 -2.485 -0.142 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.562 -1.616 -2.041 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.504 -2.864 -1.250 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.356 -2.060 0.409 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.539 0.508 -2.468 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.237 -0.502 0.608 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.433 2.064 -2.271 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.168 2.649 -0.547 1.00 15.00 H new ATOM 280 N PHE A 315 0.662 -0.272 0.365 1.00 15.00 N ATOM 281 CA PHE A 315 1.288 1.017 0.502 1.00 15.00 C ATOM 282 C PHE A 315 1.696 1.503 -0.865 1.00 15.00 C ATOM 283 O PHE A 315 2.494 0.866 -1.533 1.00 15.00 O ATOM 284 CB PHE A 315 2.523 0.933 1.389 1.00 15.00 C ATOM 285 CG PHE A 315 2.267 0.552 2.817 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.674 -0.655 3.135 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.645 1.400 3.846 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.459 -1.009 4.448 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.438 1.047 5.163 1.00 15.00 C ATOM 290 CZ PHE A 315 1.843 -0.160 5.462 1.00 15.00 C ATOM 0 H PHE A 315 1.311 -1.058 0.330 1.00 15.00 H new ATOM 0 HA PHE A 315 0.579 1.705 0.962 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.212 0.208 0.956 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.027 1.900 1.374 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.376 -1.328 2.345 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.107 2.348 3.614 1.00 15.00 H new ATOM 0 HE1 PHE A 315 0.989 -1.953 4.683 1.00 15.00 H new ATOM 0 HE2 PHE A 315 2.741 1.714 5.957 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.678 -0.440 6.492 1.00 15.00 H new ATOM 300 N VAL A 316 1.180 2.624 -1.286 1.00 15.00 N ATOM 301 CA VAL A 316 1.548 3.134 -2.576 1.00 15.00 C ATOM 302 C VAL A 316 2.777 4.037 -2.425 1.00 15.00 C ATOM 303 O VAL A 316 2.779 4.971 -1.625 1.00 15.00 O ATOM 304 CB VAL A 316 0.376 3.876 -3.267 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.679 2.878 -3.720 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.268 4.903 -2.352 1.00 15.00 C ATOM 0 H VAL A 316 0.514 3.194 -0.764 1.00 15.00 H new ATOM 0 HA VAL A 316 1.796 2.295 -3.226 1.00 15.00 H new ATOM 0 HB VAL A 316 0.790 4.402 -4.127 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.498 3.409 -4.204 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.236 2.175 -4.425 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.060 2.334 -2.856 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.084 5.398 -2.878 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.658 4.405 -1.464 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.475 5.644 -2.056 1.00 15.00 H new ATOM 316 N ASP A 317 3.854 3.726 -3.136 1.00 15.00 N ATOM 317 CA ASP A 317 5.062 4.511 -3.036 1.00 15.00 C ATOM 318 C ASP A 317 4.994 5.611 -4.066 1.00 15.00 C ATOM 319 O ASP A 317 4.818 5.331 -5.253 1.00 15.00 O ATOM 320 CB ASP A 317 6.318 3.677 -3.324 1.00 15.00 C ATOM 321 CG ASP A 317 6.190 2.223 -2.958 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.723 1.442 -3.813 1.00 15.00 O ATOM 323 OD2 ASP A 317 6.600 1.858 -1.839 1.00 15.00 O1- ATOM 0 H ASP A 317 3.909 2.939 -3.783 1.00 15.00 H new ATOM 0 HA ASP A 317 5.130 4.898 -2.019 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.556 3.753 -4.385 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.158 4.105 -2.777 1.00 15.00 H new ATOM 328 N HIS A 318 5.113 6.857 -3.630 1.00 15.00 N ATOM 329 CA HIS A 318 5.226 7.969 -4.568 1.00 15.00 C ATOM 330 C HIS A 318 6.597 7.932 -5.228 1.00 15.00 C ATOM 331 O HIS A 318 6.840 8.597 -6.229 1.00 15.00 O ATOM 332 CB HIS A 318 5.000 9.322 -3.883 1.00 15.00 C ATOM 333 CG HIS A 318 3.573 9.595 -3.498 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.499 8.844 -3.936 1.00 15.00 N ATOM 335 CD2 HIS A 318 3.051 10.556 -2.704 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.387 9.338 -3.428 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.686 10.376 -2.669 1.00 15.00 N ATOM 0 H HIS A 318 5.134 7.123 -2.646 1.00 15.00 H new ATOM 0 HA HIS A 318 4.448 7.858 -5.323 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.620 9.370 -2.988 1.00 15.00 H new ATOM 0 HB3 HIS A 318 5.341 10.114 -4.550 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.557 8.035 -4.555 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.605 11.327 -2.189 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.393 8.955 -3.604 1.00 15.00 H new ATOM 0 HE2 HIS A 318 1.021 10.946 -2.147 1.00 15.00 H new ATOM 346 N ASN A 319 7.487 7.150 -4.633 1.00 15.00 N ATOM 347 CA ASN A 319 8.838 6.958 -5.146 1.00 15.00 C ATOM 348 C ASN A 319 8.806 6.200 -6.471 1.00 15.00 C ATOM 349 O ASN A 319 9.221 6.710 -7.508 1.00 15.00 O ATOM 350 CB ASN A 319 9.665 6.155 -4.133 1.00 15.00 C ATOM 351 CG ASN A 319 9.667 6.770 -2.747 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.672 7.991 -2.591 1.00 15.00 O ATOM 353 ND2 ASN A 319 9.632 5.926 -1.729 1.00 15.00 N ATOM 0 H ASN A 319 7.293 6.629 -3.778 1.00 15.00 H new ATOM 0 HA ASN A 319 9.289 7.938 -5.305 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.270 5.141 -4.073 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.692 6.077 -4.491 1.00 15.00 H new ATOM 0 HD21 ASN A 319 9.608 6.281 -0.773 1.00 15.00 H new ATOM 0 HD22 ASN A 319 9.629 4.920 -1.900 1.00 15.00 H new ATOM 360 N ASN A 320 8.285 4.981 -6.419 1.00 15.00 N ATOM 361 CA ASN A 320 8.272 4.091 -7.575 1.00 15.00 C ATOM 362 C ASN A 320 6.945 4.216 -8.326 1.00 15.00 C ATOM 363 O ASN A 320 6.821 3.774 -9.469 1.00 15.00 O ATOM 364 CB ASN A 320 8.490 2.646 -7.099 1.00 15.00 C ATOM 365 CG ASN A 320 9.027 1.699 -8.166 1.00 15.00 C ATOM 366 OD1 ASN A 320 9.779 0.777 -7.854 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.645 1.895 -9.417 1.00 15.00 N ATOM 0 H ASN A 320 7.862 4.582 -5.581 1.00 15.00 H new ATOM 0 HA ASN A 320 9.074 4.369 -8.259 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.184 2.655 -6.258 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.544 2.254 -6.727 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.975 1.272 -10.154 1.00 15.00 H new ATOM 0 HD22 ASN A 320 8.020 2.669 -9.644 1.00 15.00 H new ATOM 374 N ARG A 321 5.961 4.829 -7.667 1.00 15.00 N ATOM 375 CA ARG A 321 4.602 4.930 -8.196 1.00 15.00 C ATOM 376 C ARG A 321 3.981 3.547 -8.323 1.00 15.00 C ATOM 377 O ARG A 321 3.350 3.211 -9.325 1.00 15.00 O ATOM 378 CB ARG A 321 4.571 5.679 -9.532 1.00 15.00 C ATOM 379 CG ARG A 321 4.728 7.184 -9.376 1.00 15.00 C ATOM 380 CD ARG A 321 4.649 7.899 -10.713 1.00 15.00 C ATOM 381 NE ARG A 321 3.393 7.634 -11.416 1.00 15.00 N ATOM 382 CZ ARG A 321 2.999 8.287 -12.513 1.00 15.00 C ATOM 383 NH1 ARG A 321 3.745 9.263 -13.021 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 1.858 7.963 -13.104 1.00 15.00 N ATOM 0 H ARG A 321 6.084 5.268 -6.754 1.00 15.00 H new ATOM 0 HA ARG A 321 4.007 5.511 -7.491 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.368 5.301 -10.172 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.629 5.468 -10.038 1.00 15.00 H new ATOM 0 HG2 ARG A 321 3.950 7.564 -8.714 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.685 7.403 -8.902 1.00 15.00 H new ATOM 0 HD2 ARG A 321 4.754 8.972 -10.554 1.00 15.00 H new ATOM 0 HD3 ARG A 321 5.485 7.586 -11.339 1.00 15.00 H new ATOM 0 HE ARG A 321 2.781 6.907 -11.046 1.00 15.00 H new ATOM 0 HH11 ARG A 321 4.625 9.518 -12.573 1.00 15.00 H new ATOM 0 HH12 ARG A 321 3.437 9.757 -13.859 1.00 15.00 H new ATOM 0 HH21 ARG A 321 1.280 7.215 -12.721 1.00 15.00 H new ATOM 0 HH22 ARG A 321 1.558 8.462 -13.941 1.00 15.00 H new ATOM 398 N THR A 322 4.128 2.768 -7.262 1.00 15.00 N ATOM 399 CA THR A 322 3.629 1.400 -7.231 1.00 15.00 C ATOM 400 C THR A 322 2.806 1.148 -5.973 1.00 15.00 C ATOM 401 O THR A 322 3.038 1.782 -4.956 1.00 15.00 O ATOM 402 CB THR A 322 4.794 0.392 -7.291 1.00 15.00 C ATOM 403 OG1 THR A 322 5.865 0.815 -6.429 1.00 15.00 O ATOM 404 CG2 THR A 322 5.306 0.244 -8.716 1.00 15.00 C ATOM 0 H THR A 322 4.593 3.063 -6.403 1.00 15.00 H new ATOM 0 HA THR A 322 2.992 1.263 -8.104 1.00 15.00 H new ATOM 0 HB THR A 322 4.424 -0.575 -6.952 1.00 15.00 H new ATOM 0 HG1 THR A 322 5.522 0.944 -5.520 1.00 15.00 H new ATOM 0 HG21 THR A 322 6.128 -0.472 -8.735 1.00 15.00 H new ATOM 0 HG22 THR A 322 4.500 -0.112 -9.357 1.00 15.00 H new ATOM 0 HG23 THR A 322 5.658 1.210 -9.078 1.00 15.00 H new ATOM 412 N THR A 323 1.828 0.253 -6.046 1.00 15.00 N ATOM 413 CA THR A 323 1.082 -0.129 -4.854 1.00 15.00 C ATOM 414 C THR A 323 1.696 -1.392 -4.251 1.00 15.00 C ATOM 415 O THR A 323 2.103 -2.302 -4.978 1.00 15.00 O ATOM 416 CB THR A 323 -0.422 -0.337 -5.141 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.138 -0.519 -3.916 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.668 -1.534 -6.038 1.00 15.00 C ATOM 0 H THR A 323 1.536 -0.215 -6.904 1.00 15.00 H new ATOM 0 HA THR A 323 1.152 0.691 -4.139 1.00 15.00 H new ATOM 0 HB THR A 323 -0.777 0.556 -5.655 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.840 -1.191 -4.044 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.738 -1.643 -6.214 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.157 -1.387 -6.990 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.286 -2.434 -5.557 1.00 15.00 H new ATOM 426 N GLN A 324 1.788 -1.442 -2.931 1.00 15.00 N ATOM 427 CA GLN A 324 2.540 -2.491 -2.269 1.00 15.00 C ATOM 428 C GLN A 324 1.696 -3.293 -1.288 1.00 15.00 C ATOM 429 O GLN A 324 1.502 -2.878 -0.152 1.00 15.00 O ATOM 430 CB GLN A 324 3.737 -1.900 -1.509 1.00 15.00 C ATOM 431 CG GLN A 324 4.712 -1.083 -2.355 1.00 15.00 C ATOM 432 CD GLN A 324 5.489 -1.910 -3.378 1.00 15.00 C ATOM 433 OE1 GLN A 324 4.835 -2.881 -3.996 1.00 15.00 O flip ATOM 434 NE2 GLN A 324 6.664 -1.651 -3.648 1.00 15.00 N flip ATOM 0 H GLN A 324 1.352 -0.769 -2.300 1.00 15.00 H new ATOM 0 HA GLN A 324 2.879 -3.162 -3.058 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.359 -1.266 -0.707 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.286 -2.716 -1.039 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.158 -0.303 -2.878 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.420 -0.583 -1.694 1.00 15.00 H new ATOM 0 HE21 GLN A 324 7.146 -0.898 -3.157 1.00 15.00 H new ATOM 0 HE22 GLN A 324 7.154 -2.190 -4.362 1.00 15.00 H new ATOM 443 N PHE A 325 1.205 -4.446 -1.726 1.00 15.00 N ATOM 444 CA PHE A 325 0.691 -5.455 -0.797 1.00 15.00 C ATOM 445 C PHE A 325 1.848 -6.037 -0.034 1.00 15.00 C ATOM 446 O PHE A 325 1.702 -6.818 0.906 1.00 15.00 O ATOM 447 CB PHE A 325 -0.095 -6.545 -1.502 1.00 15.00 C ATOM 448 CG PHE A 325 -1.533 -6.195 -1.601 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.168 -5.553 -0.548 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.248 -6.484 -2.742 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.497 -5.203 -0.656 1.00 15.00 C ATOM 452 CE2 PHE A 325 -3.577 -6.144 -2.845 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.202 -5.500 -1.804 1.00 15.00 C ATOM 0 H PHE A 325 1.150 -4.708 -2.710 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.007 -4.973 -0.112 1.00 15.00 H new ATOM 0 HB2 PHE A 325 0.313 -6.702 -2.501 1.00 15.00 H new ATOM 0 HB3 PHE A 325 0.016 -7.485 -0.961 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.622 -5.328 0.356 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -1.760 -6.983 -3.566 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -3.988 -4.695 0.161 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.128 -6.383 -3.742 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.244 -5.227 -1.885 1.00 15.00 H new ATOM 463 N THR A 326 3.003 -5.657 -0.511 1.00 15.00 N ATOM 464 CA THR A 326 4.250 -6.029 0.111 1.00 15.00 C ATOM 465 C THR A 326 4.481 -5.004 1.191 1.00 15.00 C ATOM 466 O THR A 326 5.083 -3.952 0.949 1.00 15.00 O ATOM 467 CB THR A 326 5.434 -6.014 -0.878 1.00 15.00 C ATOM 468 OG1 THR A 326 5.425 -4.796 -1.635 1.00 15.00 O ATOM 469 CG2 THR A 326 5.384 -7.203 -1.821 1.00 15.00 C ATOM 0 H THR A 326 3.108 -5.079 -1.345 1.00 15.00 H new ATOM 0 HA THR A 326 4.190 -7.048 0.493 1.00 15.00 H new ATOM 0 HB THR A 326 6.355 -6.079 -0.298 1.00 15.00 H new ATOM 0 HG1 THR A 326 6.180 -4.793 -2.259 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.232 -7.161 -2.504 1.00 15.00 H new ATOM 0 HG22 THR A 326 5.427 -8.127 -1.244 1.00 15.00 H new ATOM 0 HG23 THR A 326 4.456 -7.175 -2.393 1.00 15.00 H new ATOM 477 N ASP A 327 3.975 -5.282 2.365 1.00 15.00 N ATOM 478 CA ASP A 327 3.794 -4.254 3.339 1.00 15.00 C ATOM 479 C ASP A 327 4.660 -4.407 4.534 1.00 15.00 C ATOM 480 O ASP A 327 5.039 -5.501 4.956 1.00 15.00 O ATOM 481 CB ASP A 327 2.349 -4.117 3.788 1.00 15.00 C ATOM 482 CG ASP A 327 1.632 -5.437 4.015 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.300 -6.422 4.386 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.395 -5.475 3.881 1.00 15.00 O1- ATOM 0 H ASP A 327 3.683 -6.213 2.663 1.00 15.00 H new ATOM 0 HA ASP A 327 4.093 -3.344 2.819 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.322 -3.540 4.712 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.802 -3.545 3.039 1.00 15.00 H new ATOM 489 N PRO A 328 4.963 -3.258 5.097 1.00 15.00 N ATOM 490 CA PRO A 328 5.580 -3.151 6.389 1.00 15.00 C ATOM 491 C PRO A 328 4.577 -3.676 7.427 1.00 15.00 C ATOM 492 O PRO A 328 4.909 -3.917 8.585 1.00 15.00 O ATOM 493 CB PRO A 328 5.882 -1.642 6.514 1.00 15.00 C ATOM 494 CG PRO A 328 5.670 -1.085 5.129 1.00 15.00 C ATOM 495 CD PRO A 328 4.632 -1.943 4.533 1.00 15.00 C ATOM 0 HA PRO A 328 6.493 -3.728 6.536 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.219 -1.166 7.237 1.00 15.00 H new ATOM 0 HB3 PRO A 328 6.903 -1.471 6.856 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.349 -0.044 5.166 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.590 -1.114 4.546 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.628 -1.621 4.810 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.678 -1.943 3.444 1.00 15.00 H new ATOM 503 N ARG A 329 3.317 -3.810 6.970 1.00 15.00 N ATOM 504 CA ARG A 329 2.241 -4.420 7.748 1.00 15.00 C ATOM 505 C ARG A 329 2.498 -5.904 8.023 1.00 15.00 C ATOM 506 O ARG A 329 2.100 -6.420 9.065 1.00 15.00 O ATOM 507 CB ARG A 329 0.870 -4.231 7.051 1.00 15.00 C ATOM 508 CG ARG A 329 0.319 -2.818 7.194 1.00 15.00 C ATOM 509 CD ARG A 329 -0.025 -2.477 8.641 1.00 15.00 C ATOM 510 NE ARG A 329 1.165 -2.314 9.482 1.00 15.00 N ATOM 511 CZ ARG A 329 1.300 -2.846 10.699 1.00 15.00 C ATOM 512 NH1 ARG A 329 0.312 -3.559 11.230 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 2.426 -2.661 11.385 1.00 15.00 N ATOM 0 H ARG A 329 3.024 -3.494 6.046 1.00 15.00 H new ATOM 0 HA ARG A 329 2.218 -3.905 8.709 1.00 15.00 H new ATOM 0 HB2 ARG A 329 0.971 -4.470 5.992 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.155 -4.938 7.471 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.052 -2.104 6.819 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.573 -2.713 6.576 1.00 15.00 H new ATOM 0 HD2 ARG A 329 -0.610 -1.558 8.664 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.653 -3.265 9.056 1.00 15.00 H new ATOM 0 HE ARG A 329 1.938 -1.759 9.114 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -0.552 -3.701 10.707 1.00 15.00 H new ATOM 0 HH12 ARG A 329 0.418 -3.964 12.160 1.00 15.00 H new ATOM 0 HH21 ARG A 329 3.185 -2.113 10.981 1.00 15.00 H new ATOM 0 HH22 ARG A 329 2.529 -3.067 12.315 1.00 15.00 H new ATOM 645 N PRO B 207 -4.106 -9.442 -6.830 1.00 15.00 N ATOM 646 CA PRO B 207 -4.069 -8.202 -7.604 1.00 15.00 C ATOM 647 C PRO B 207 -4.459 -6.982 -6.766 1.00 15.00 C ATOM 648 O PRO B 207 -5.557 -6.921 -6.201 1.00 15.00 O ATOM 649 CB PRO B 207 -5.123 -8.440 -8.691 1.00 15.00 C ATOM 650 CG PRO B 207 -5.236 -9.924 -8.832 1.00 15.00 C ATOM 651 CD PRO B 207 -4.794 -10.528 -7.525 1.00 15.00 C ATOM 0 HA PRO B 207 -3.070 -7.989 -7.984 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -6.080 -8.000 -8.411 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.824 -7.979 -9.633 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.262 -10.212 -9.062 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -4.613 -10.282 -9.652 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.645 -10.891 -6.948 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.131 -11.378 -7.685 1.00 15.00 H new ATOM 659 N PRO B 208 -3.541 -6.007 -6.646 1.00 15.00 N ATOM 660 CA PRO B 208 -3.749 -4.820 -5.833 1.00 15.00 C ATOM 661 C PRO B 208 -4.395 -3.659 -6.592 1.00 15.00 C ATOM 662 O PRO B 208 -4.456 -3.662 -7.824 1.00 15.00 O ATOM 663 CB PRO B 208 -2.327 -4.453 -5.390 1.00 15.00 C ATOM 664 CG PRO B 208 -1.387 -5.174 -6.310 1.00 15.00 C ATOM 665 CD PRO B 208 -2.213 -5.995 -7.267 1.00 15.00 C ATOM 0 HA PRO B 208 -4.441 -5.014 -5.014 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.171 -3.376 -5.445 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.156 -4.748 -4.355 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.766 -4.463 -6.855 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.713 -5.815 -5.741 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -2.238 -5.548 -8.261 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.813 -7.003 -7.380 1.00 15.00 H new ATOM 673 N PRO B 209 -4.877 -2.653 -5.837 1.00 15.00 N ATOM 674 CA PRO B 209 -5.513 -1.449 -6.391 1.00 15.00 C ATOM 675 C PRO B 209 -4.622 -0.718 -7.403 1.00 15.00 C ATOM 676 O PRO B 209 -3.416 -0.579 -7.187 1.00 15.00 O ATOM 677 CB PRO B 209 -5.728 -0.546 -5.166 1.00 15.00 C ATOM 678 CG PRO B 209 -5.597 -1.413 -3.967 1.00 15.00 C ATOM 679 CD PRO B 209 -4.829 -2.636 -4.365 1.00 15.00 C ATOM 0 HA PRO B 209 -6.426 -1.705 -6.928 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.992 0.258 -5.144 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.712 -0.077 -5.199 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.081 -0.882 -3.167 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.580 -1.687 -3.585 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -3.801 -2.592 -4.004 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.276 -3.537 -3.945 1.00 15.00 H new ATOM 687 N PRO B 210 -5.209 -0.234 -8.516 1.00 15.00 N ATOM 688 CA PRO B 210 -4.498 0.600 -9.499 1.00 15.00 C ATOM 689 C PRO B 210 -3.870 1.822 -8.833 1.00 15.00 C ATOM 690 O PRO B 210 -4.443 2.378 -7.893 1.00 15.00 O ATOM 691 CB PRO B 210 -5.604 1.028 -10.467 1.00 15.00 C ATOM 692 CG PRO B 210 -6.648 -0.025 -10.338 1.00 15.00 C ATOM 693 CD PRO B 210 -6.611 -0.466 -8.902 1.00 15.00 C ATOM 0 HA PRO B 210 -3.679 0.070 -9.985 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.999 2.011 -10.208 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.232 1.093 -11.489 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.631 0.365 -10.602 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.446 -0.860 -11.009 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.300 0.112 -8.285 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.890 -1.514 -8.795 1.00 15.00 H new ATOM 701 N TYR B 211 -2.711 2.263 -9.323 1.00 15.00 N ATOM 702 CA TYR B 211 -1.960 3.302 -8.631 1.00 15.00 C ATOM 703 C TYR B 211 -2.630 4.671 -8.711 1.00 15.00 C ATOM 704 O TYR B 211 -2.418 5.441 -9.649 1.00 15.00 O ATOM 705 CB TYR B 211 -0.517 3.411 -9.132 1.00 15.00 C ATOM 706 CG TYR B 211 0.325 4.350 -8.289 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.590 4.047 -6.964 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.844 5.535 -8.808 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.344 4.888 -6.174 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.605 6.383 -8.019 1.00 15.00 C ATOM 711 CZ TYR B 211 1.849 6.051 -6.704 1.00 15.00 C ATOM 712 OH TYR B 211 2.607 6.882 -5.910 1.00 15.00 O ATOM 0 H TYR B 211 -2.280 1.922 -10.182 1.00 15.00 H new ATOM 0 HA TYR B 211 -1.945 2.990 -7.587 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.061 2.421 -9.132 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.520 3.760 -10.165 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.198 3.134 -6.541 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.651 5.796 -9.838 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.537 4.634 -5.142 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.004 7.298 -8.432 1.00 15.00 H new ATOM 0 HH TYR B 211 3.427 6.418 -5.639 1.00 15.00 H new ATOM 722 N SER B 212 -3.476 4.933 -7.741 1.00 15.00 N ATOM 723 CA SER B 212 -3.916 6.274 -7.429 1.00 15.00 C ATOM 724 C SER B 212 -3.166 6.679 -6.174 1.00 15.00 C ATOM 725 O SER B 212 -2.822 5.809 -5.376 1.00 15.00 O ATOM 726 CB SER B 212 -5.428 6.295 -7.196 1.00 15.00 C ATOM 727 OG SER B 212 -6.117 5.757 -8.312 1.00 15.00 O ATOM 0 H SER B 212 -3.882 4.215 -7.141 1.00 15.00 H new ATOM 0 HA SER B 212 -3.713 6.966 -8.246 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.671 5.721 -6.302 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.759 7.318 -7.017 1.00 15.00 H new ATOM 0 HG SER B 212 -7.082 5.778 -8.142 1.00 15.00 H new ATOM 733 N ARG B 213 -2.885 7.964 -5.989 1.00 15.00 N ATOM 734 CA ARG B 213 -2.094 8.374 -4.834 1.00 15.00 C ATOM 735 C ARG B 213 -2.821 7.957 -3.572 1.00 15.00 C ATOM 736 O ARG B 213 -2.265 7.296 -2.701 1.00 15.00 O ATOM 737 CB ARG B 213 -1.861 9.890 -4.766 1.00 15.00 C ATOM 738 CG ARG B 213 -1.450 10.577 -6.056 1.00 15.00 C ATOM 739 CD ARG B 213 -0.330 9.850 -6.790 1.00 15.00 C ATOM 740 NE ARG B 213 -0.836 8.865 -7.749 1.00 15.00 N ATOM 741 CZ ARG B 213 -0.760 9.015 -9.073 1.00 15.00 C ATOM 742 NH1 ARG B 213 -0.193 10.100 -9.589 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -1.248 8.082 -9.884 1.00 15.00 N ATOM 0 H ARG B 213 -3.183 8.721 -6.604 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.121 7.892 -4.930 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.778 10.359 -4.408 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.092 10.082 -4.018 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -2.317 10.653 -6.712 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.129 11.594 -5.833 1.00 15.00 H new ATOM 0 HD2 ARG B 213 0.289 10.578 -7.314 1.00 15.00 H new ATOM 0 HD3 ARG B 213 0.311 9.350 -6.064 1.00 15.00 H new ATOM 0 HE ARG B 213 -1.271 8.017 -7.385 1.00 15.00 H new ATOM 0 HH11 ARG B 213 0.185 10.820 -8.973 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -0.136 10.213 -10.601 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -1.684 7.246 -9.495 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -1.187 8.202 -10.895 1.00 15.00 H new ATOM 757 N TYR B 214 -4.062 8.398 -3.474 1.00 15.00 N ATOM 758 CA TYR B 214 -4.915 8.052 -2.361 1.00 15.00 C ATOM 759 C TYR B 214 -6.146 7.333 -2.871 1.00 15.00 C ATOM 760 O TYR B 214 -7.089 7.954 -3.365 1.00 15.00 O ATOM 761 CB TYR B 214 -5.267 9.311 -1.565 1.00 15.00 C ATOM 762 CG TYR B 214 -4.043 10.165 -1.313 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.575 11.042 -2.287 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.324 10.051 -0.135 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.426 11.775 -2.096 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.179 10.791 0.072 1.00 15.00 C ATOM 767 CZ TYR B 214 -1.732 11.647 -0.910 1.00 15.00 C ATOM 768 OH TYR B 214 -0.572 12.359 -0.705 1.00 15.00 O ATOM 0 H TYR B 214 -4.503 9.005 -4.165 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.394 7.375 -1.684 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.012 9.891 -2.110 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.717 9.028 -0.614 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.124 11.149 -3.211 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.665 9.373 0.633 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.071 12.444 -2.866 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -1.635 10.700 1.000 1.00 15.00 H new ATOM 0 HH TYR B 214 0.158 11.741 -0.491 1.00 15.00 H new ATOM 778 N PRO B 215 -6.105 6.006 -2.821 1.00 15.00 N ATOM 779 CA PRO B 215 -7.183 5.154 -3.286 1.00 15.00 C ATOM 780 C PRO B 215 -8.312 5.088 -2.264 1.00 15.00 C ATOM 781 O PRO B 215 -8.117 4.630 -1.138 1.00 15.00 O ATOM 782 CB PRO B 215 -6.513 3.780 -3.467 1.00 15.00 C ATOM 783 CG PRO B 215 -5.086 3.935 -3.015 1.00 15.00 C ATOM 784 CD PRO B 215 -4.989 5.231 -2.283 1.00 15.00 C ATOM 0 HA PRO B 215 -7.643 5.520 -4.204 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -7.025 3.019 -2.879 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.557 3.461 -4.508 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.796 3.106 -2.369 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.409 3.925 -3.869 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.078 5.092 -1.206 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.034 5.724 -2.463 1.00 15.00 H new