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= -2.72! C(o=-3.1!,f=-18!) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -1.57! USER MOD Set 1.3: B 214 TYR OH : rot -128:sc= 1.22 USER MOD Set 2.1: A 320 ASN : amide:sc= 1.03 X(o=2.3,f=2.2) USER MOD Set 2.2: A 322 THR OG1 : rot 110:sc= 1.26 USER MOD Single : A 307 ASN : amide:sc= -0.532 K(o=-0.53,f=-5!) USER MOD Single : A 308 THR OG1 : rot -74:sc= 1.61 USER MOD Single : A 310 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 314 TYR OH : rot 0:sc= 0.047 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 323 THR OG1 : rot 174:sc= -2.25! USER MOD Single : A 324 GLN :FLIP amide:sc= -0.0461 F(o=-1.6!,f=-0.046) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 299 5.409 6.046 10.185 1.00 15.00 N ATOM 25 CA LEU A 299 5.328 5.911 8.738 1.00 15.00 C ATOM 26 C LEU A 299 6.383 6.794 8.079 1.00 15.00 C ATOM 27 O LEU A 299 6.498 7.975 8.416 1.00 15.00 O ATOM 28 CB LEU A 299 3.935 6.328 8.257 1.00 15.00 C ATOM 29 CG LEU A 299 3.709 6.241 6.746 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.553 4.793 6.305 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.494 7.062 6.341 1.00 15.00 C ATOM 0 HA LEU A 299 5.507 4.871 8.465 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.195 5.702 8.755 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.751 7.354 8.576 1.00 15.00 H new ATOM 0 HG LEU A 299 4.585 6.654 6.245 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.393 4.756 5.227 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.456 4.237 6.557 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.698 4.348 6.814 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.348 6.989 5.263 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.610 6.681 6.853 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.652 8.105 6.616 1.00 15.00 H new ATOM 43 N PRO A 300 7.161 6.256 7.129 1.00 15.00 N ATOM 44 CA PRO A 300 8.192 7.032 6.433 1.00 15.00 C ATOM 45 C PRO A 300 7.569 8.111 5.542 1.00 15.00 C ATOM 46 O PRO A 300 6.588 7.854 4.845 1.00 15.00 O ATOM 47 CB PRO A 300 8.931 5.985 5.588 1.00 15.00 C ATOM 48 CG PRO A 300 8.487 4.658 6.113 1.00 15.00 C ATOM 49 CD PRO A 300 7.097 4.871 6.630 1.00 15.00 C ATOM 0 HA PRO A 300 8.850 7.563 7.121 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.686 6.090 4.531 1.00 15.00 H new ATOM 0 HB3 PRO A 300 10.011 6.100 5.678 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.501 3.902 5.328 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.150 4.308 6.905 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.349 4.755 5.846 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.844 4.164 7.420 1.00 15.00 H new ATOM 57 N PRO A 301 8.144 9.328 5.538 1.00 15.00 N ATOM 58 CA PRO A 301 7.565 10.494 4.844 1.00 15.00 C ATOM 59 C PRO A 301 7.456 10.327 3.325 1.00 15.00 C ATOM 60 O PRO A 301 6.748 11.082 2.663 1.00 15.00 O ATOM 61 CB PRO A 301 8.528 11.639 5.184 1.00 15.00 C ATOM 62 CG PRO A 301 9.296 11.165 6.370 1.00 15.00 C ATOM 63 CD PRO A 301 9.398 9.675 6.223 1.00 15.00 C ATOM 0 HA PRO A 301 6.538 10.660 5.168 1.00 15.00 H new ATOM 0 HB2 PRO A 301 9.191 11.857 4.347 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.985 12.557 5.408 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.285 11.623 6.404 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.789 11.433 7.297 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.271 9.385 5.639 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.482 9.178 7.190 1.00 15.00 H new ATOM 71 N GLY A 302 8.184 9.371 2.776 1.00 15.00 N ATOM 72 CA GLY A 302 8.112 9.109 1.350 1.00 15.00 C ATOM 73 C GLY A 302 7.060 8.072 1.015 1.00 15.00 C ATOM 74 O GLY A 302 6.666 7.918 -0.143 1.00 15.00 O ATOM 0 H GLY A 302 8.826 8.768 3.290 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.888 10.036 0.822 1.00 15.00 H new ATOM 0 HA3 GLY A 302 9.084 8.767 0.995 1.00 15.00 H new ATOM 78 N TRP A 303 6.614 7.363 2.039 1.00 15.00 N ATOM 79 CA TRP A 303 5.687 6.256 1.879 1.00 15.00 C ATOM 80 C TRP A 303 4.244 6.701 2.030 1.00 15.00 C ATOM 81 O TRP A 303 3.951 7.629 2.785 1.00 15.00 O ATOM 82 CB TRP A 303 5.973 5.190 2.917 1.00 15.00 C ATOM 83 CG TRP A 303 7.012 4.222 2.490 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.364 4.398 2.499 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.778 2.912 1.983 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.982 3.264 2.057 1.00 15.00 N ATOM 87 CE2 TRP A 303 8.028 2.343 1.731 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.635 2.154 1.724 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.163 1.064 1.240 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.782 0.881 1.234 1.00 15.00 C ATOM 91 CH2 TRP A 303 7.037 0.347 0.998 1.00 15.00 C ATOM 0 H TRP A 303 6.885 7.540 3.006 1.00 15.00 H new ATOM 0 HA TRP A 303 5.826 5.861 0.873 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.291 5.670 3.843 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.052 4.651 3.138 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.870 5.300 2.809 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.990 3.127 1.983 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.652 2.562 1.906 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.140 0.643 1.052 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.904 0.286 1.029 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.121 -0.659 0.614 1.00 15.00 H new ATOM 102 N GLU A 304 3.339 6.011 1.342 1.00 15.00 N ATOM 103 CA GLU A 304 1.910 6.324 1.444 1.00 15.00 C ATOM 104 C GLU A 304 1.135 5.057 1.801 1.00 15.00 C ATOM 105 O GLU A 304 1.391 4.001 1.242 1.00 15.00 O ATOM 106 CB GLU A 304 1.422 6.933 0.125 1.00 15.00 C ATOM 107 CG GLU A 304 2.066 8.274 -0.189 1.00 15.00 C ATOM 108 CD GLU A 304 1.420 9.441 0.538 1.00 15.00 C ATOM 109 OE1 GLU A 304 1.526 9.520 1.775 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.809 10.296 -0.145 1.00 15.00 O ATOM 0 H GLU A 304 3.562 5.239 0.714 1.00 15.00 H new ATOM 0 HA GLU A 304 1.741 7.056 2.234 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.631 6.238 -0.688 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.340 7.058 0.168 1.00 15.00 H new ATOM 0 HG2 GLU A 304 3.123 8.232 0.075 1.00 15.00 H new ATOM 0 HG3 GLU A 304 2.013 8.451 -1.263 1.00 15.00 H new ATOM 117 N ILE A 305 0.190 5.151 2.729 1.00 15.00 N ATOM 118 CA ILE A 305 -0.453 3.951 3.265 1.00 15.00 C ATOM 119 C ILE A 305 -1.982 4.035 3.263 1.00 15.00 C ATOM 120 O ILE A 305 -2.561 5.044 3.669 1.00 15.00 O ATOM 121 CB ILE A 305 0.025 3.662 4.711 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.690 2.430 5.282 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.200 4.874 5.608 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.330 2.126 6.723 1.00 15.00 C ATOM 0 H ILE A 305 -0.146 6.030 3.123 1.00 15.00 H new ATOM 0 HA ILE A 305 -0.158 3.140 2.599 1.00 15.00 H new ATOM 0 HB ILE A 305 1.095 3.455 4.679 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.767 2.581 5.211 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.448 1.564 4.666 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.143 4.648 6.618 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.358 5.725 5.217 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.262 5.117 5.631 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.875 1.242 7.055 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.742 1.942 6.799 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.598 2.975 7.352 1.00 15.00 H new ATOM 136 N ARG A 306 -2.628 2.967 2.792 1.00 15.00 N ATOM 137 CA ARG A 306 -4.059 2.765 3.002 1.00 15.00 C ATOM 138 C ARG A 306 -4.352 1.280 3.183 1.00 15.00 C ATOM 139 O ARG A 306 -3.665 0.431 2.616 1.00 15.00 O ATOM 140 CB ARG A 306 -4.916 3.304 1.852 1.00 15.00 C ATOM 141 CG ARG A 306 -5.017 4.817 1.792 1.00 15.00 C ATOM 142 CD ARG A 306 -6.350 5.245 1.199 1.00 15.00 C ATOM 143 NE ARG A 306 -7.450 5.035 2.150 1.00 15.00 N ATOM 144 CZ ARG A 306 -8.404 4.105 2.023 1.00 15.00 C ATOM 145 NH1 ARG A 306 -8.432 3.308 0.964 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -9.347 3.981 2.949 1.00 15.00 N ATOM 0 H ARG A 306 -2.177 2.224 2.259 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.323 3.325 3.899 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.504 2.943 0.910 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.920 2.890 1.940 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.909 5.233 2.793 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -4.201 5.217 1.190 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -6.305 6.297 0.919 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -6.543 4.680 0.287 1.00 15.00 H new ATOM 0 HE ARG A 306 -7.490 5.643 2.968 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.722 3.401 0.237 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -9.163 2.602 0.876 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -9.347 4.596 3.763 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -10.072 3.270 2.847 1.00 15.00 H new ATOM 160 N ASN A 307 -5.378 0.978 3.961 1.00 15.00 N ATOM 161 CA ASN A 307 -5.787 -0.401 4.207 1.00 15.00 C ATOM 162 C ASN A 307 -7.046 -0.721 3.390 1.00 15.00 C ATOM 163 O ASN A 307 -8.002 0.055 3.412 1.00 15.00 O ATOM 164 CB ASN A 307 -6.073 -0.577 5.703 1.00 15.00 C ATOM 165 CG ASN A 307 -6.227 -2.025 6.139 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.642 -2.891 5.372 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.897 -2.294 7.393 1.00 15.00 N ATOM 0 H ASN A 307 -5.950 1.675 4.439 1.00 15.00 H new ATOM 0 HA ASN A 307 -4.991 -1.082 3.906 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.263 -0.121 6.273 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.984 -0.034 5.954 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.984 -3.245 7.750 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.556 -1.550 8.001 1.00 15.00 H new ATOM 174 N THR A 308 -7.057 -1.845 2.672 1.00 15.00 N ATOM 175 CA THR A 308 -8.241 -2.243 1.917 1.00 15.00 C ATOM 176 C THR A 308 -9.158 -3.109 2.773 1.00 15.00 C ATOM 177 O THR A 308 -8.686 -3.964 3.537 1.00 15.00 O ATOM 178 CB THR A 308 -7.887 -3.019 0.626 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.495 -3.358 0.612 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.238 -2.212 -0.621 1.00 15.00 C ATOM 0 H THR A 308 -6.268 -2.488 2.599 1.00 15.00 H new ATOM 0 HA THR A 308 -8.748 -1.321 1.634 1.00 15.00 H new ATOM 0 HB THR A 308 -8.479 -3.934 0.617 1.00 15.00 H new ATOM 0 HG1 THR A 308 -5.965 -2.557 0.419 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.977 -2.785 -1.511 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.307 -1.999 -0.627 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.681 -1.275 -0.617 1.00 15.00 H new ATOM 188 N ALA A 309 -10.463 -2.903 2.612 1.00 15.00 N ATOM 189 CA ALA A 309 -11.485 -3.608 3.388 1.00 15.00 C ATOM 190 C ALA A 309 -11.411 -5.122 3.193 1.00 15.00 C ATOM 191 O ALA A 309 -11.999 -5.883 3.960 1.00 15.00 O ATOM 192 CB ALA A 309 -12.869 -3.097 3.021 1.00 15.00 C ATOM 0 H ALA A 309 -10.845 -2.240 1.937 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.293 -3.405 4.442 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.620 -3.629 3.605 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -12.932 -2.030 3.235 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.049 -3.265 1.959 1.00 15.00 H new ATOM 198 N THR A 310 -10.690 -5.546 2.161 1.00 15.00 N ATOM 199 CA THR A 310 -10.458 -6.963 1.909 1.00 15.00 C ATOM 200 C THR A 310 -9.648 -7.598 3.041 1.00 15.00 C ATOM 201 O THR A 310 -9.582 -8.821 3.165 1.00 15.00 O ATOM 202 CB THR A 310 -9.711 -7.157 0.575 1.00 15.00 C ATOM 203 OG1 THR A 310 -8.592 -6.260 0.506 1.00 15.00 O ATOM 204 CG2 THR A 310 -10.635 -6.911 -0.608 1.00 15.00 C ATOM 0 H THR A 310 -10.253 -4.923 1.481 1.00 15.00 H new ATOM 0 HA THR A 310 -11.430 -7.453 1.855 1.00 15.00 H new ATOM 0 HB THR A 310 -9.358 -8.187 0.530 1.00 15.00 H new ATOM 0 HG1 THR A 310 -8.121 -6.390 -0.343 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.083 -7.054 -1.537 1.00 15.00 H new ATOM 0 HG22 THR A 310 -11.469 -7.611 -0.570 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.016 -5.891 -0.566 1.00 15.00 H new ATOM 212 N GLY A 311 -9.046 -6.755 3.873 1.00 15.00 N ATOM 213 CA GLY A 311 -8.241 -7.240 4.974 1.00 15.00 C ATOM 214 C GLY A 311 -6.770 -7.332 4.625 1.00 15.00 C ATOM 215 O GLY A 311 -6.064 -8.205 5.126 1.00 15.00 O ATOM 0 H GLY A 311 -9.103 -5.739 3.802 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.367 -6.577 5.830 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.601 -8.223 5.277 1.00 15.00 H new ATOM 219 N ARG A 312 -6.302 -6.434 3.767 1.00 15.00 N ATOM 220 CA ARG A 312 -4.903 -6.426 3.356 1.00 15.00 C ATOM 221 C ARG A 312 -4.441 -4.988 3.189 1.00 15.00 C ATOM 222 O ARG A 312 -5.242 -4.122 2.823 1.00 15.00 O ATOM 223 CB ARG A 312 -4.692 -7.168 2.030 1.00 15.00 C ATOM 224 CG ARG A 312 -5.525 -8.422 1.839 1.00 15.00 C ATOM 225 CD ARG A 312 -5.028 -9.194 0.632 1.00 15.00 C ATOM 226 NE ARG A 312 -6.009 -10.141 0.112 1.00 15.00 N ATOM 227 CZ ARG A 312 -6.032 -10.545 -1.156 1.00 15.00 C ATOM 228 NH1 ARG A 312 -5.180 -10.026 -2.031 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -6.915 -11.448 -1.560 1.00 15.00 N ATOM 0 H ARG A 312 -6.871 -5.702 3.342 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.326 -6.935 4.128 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -4.909 -6.481 1.212 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -3.639 -7.437 1.949 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.467 -9.047 2.730 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.573 -8.156 1.705 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -4.759 -8.490 -0.156 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -4.120 -9.733 0.902 1.00 15.00 H new ATOM 0 HE ARG A 312 -6.712 -10.512 0.752 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -4.509 -9.319 -1.731 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -5.196 -10.334 -3.003 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -7.584 -11.839 -0.897 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -6.925 -11.751 -2.534 1.00 15.00 H new ATOM 243 N VAL A 313 -3.164 -4.729 3.420 1.00 15.00 N ATOM 244 CA VAL A 313 -2.659 -3.375 3.328 1.00 15.00 C ATOM 245 C VAL A 313 -1.713 -3.212 2.126 1.00 15.00 C ATOM 246 O VAL A 313 -0.918 -4.087 1.814 1.00 15.00 O ATOM 247 CB VAL A 313 -1.948 -2.947 4.631 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.726 -1.441 4.660 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.745 -3.391 5.850 1.00 15.00 C ATOM 0 H VAL A 313 -2.468 -5.431 3.670 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.519 -2.722 3.179 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.974 -3.436 4.659 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.224 -1.165 5.587 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.108 -1.148 3.812 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.687 -0.930 4.602 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.227 -3.080 6.757 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.735 -2.935 5.823 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.845 -4.476 5.844 1.00 15.00 H new ATOM 259 N TYR A 314 -1.832 -2.076 1.466 1.00 15.00 N ATOM 260 CA TYR A 314 -1.113 -1.742 0.268 1.00 15.00 C ATOM 261 C TYR A 314 -0.536 -0.341 0.440 1.00 15.00 C ATOM 262 O TYR A 314 -1.267 0.635 0.625 1.00 15.00 O ATOM 263 CB TYR A 314 -2.051 -1.794 -0.952 1.00 15.00 C ATOM 264 CG TYR A 314 -3.267 -0.888 -0.829 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.330 -1.239 -0.012 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.339 0.328 -1.508 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.426 -0.416 0.129 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.438 1.158 -1.370 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.476 0.779 -0.547 1.00 15.00 C ATOM 270 OH TYR A 314 -6.573 1.596 -0.396 1.00 15.00 O ATOM 0 H TYR A 314 -2.462 -1.333 1.770 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.310 -2.459 0.098 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.489 -1.514 -1.843 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.387 -2.821 -1.097 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.299 -2.176 0.525 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.525 0.627 -2.151 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.244 -0.710 0.770 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.482 2.096 -1.904 1.00 15.00 H new ATOM 0 HH TYR A 314 -7.210 1.178 0.221 1.00 15.00 H new ATOM 280 N PHE A 315 0.767 -0.247 0.445 1.00 15.00 N ATOM 281 CA PHE A 315 1.419 1.037 0.579 1.00 15.00 C ATOM 282 C PHE A 315 1.815 1.541 -0.790 1.00 15.00 C ATOM 283 O PHE A 315 2.624 0.928 -1.461 1.00 15.00 O ATOM 284 CB PHE A 315 2.670 0.929 1.441 1.00 15.00 C ATOM 285 CG PHE A 315 2.444 0.563 2.879 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.740 -0.575 3.219 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.969 1.350 3.892 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.560 -0.922 4.538 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.799 1.002 5.215 1.00 15.00 C ATOM 290 CZ PHE A 315 2.091 -0.138 5.537 1.00 15.00 C ATOM 0 H PHE A 315 1.401 -1.041 0.358 1.00 15.00 H new ATOM 0 HA PHE A 315 0.722 1.726 1.056 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.331 0.185 0.996 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.195 1.884 1.407 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.326 -1.199 2.441 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.518 2.246 3.642 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.001 -1.811 4.790 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.218 1.619 5.996 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.954 -0.415 6.572 1.00 15.00 H new ATOM 300 N VAL A 316 1.274 2.661 -1.200 1.00 15.00 N ATOM 301 CA VAL A 316 1.612 3.181 -2.496 1.00 15.00 C ATOM 302 C VAL A 316 2.833 4.098 -2.372 1.00 15.00 C ATOM 303 O VAL A 316 2.816 5.075 -1.620 1.00 15.00 O ATOM 304 CB VAL A 316 0.425 3.918 -3.168 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.604 2.913 -3.659 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.247 4.900 -2.222 1.00 15.00 C ATOM 0 H VAL A 316 0.610 3.220 -0.665 1.00 15.00 H new ATOM 0 HA VAL A 316 1.853 2.339 -3.146 1.00 15.00 H new ATOM 0 HB VAL A 316 0.831 4.481 -4.009 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.433 3.442 -4.129 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.142 2.244 -4.385 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -0.976 2.332 -2.815 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.073 5.393 -2.735 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.628 4.365 -1.352 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.477 5.648 -1.899 1.00 15.00 H new ATOM 316 N ASP A 317 3.926 3.749 -3.048 1.00 15.00 N ATOM 317 CA ASP A 317 5.118 4.564 -3.002 1.00 15.00 C ATOM 318 C ASP A 317 5.030 5.570 -4.131 1.00 15.00 C ATOM 319 O ASP A 317 4.956 5.177 -5.299 1.00 15.00 O ATOM 320 CB ASP A 317 6.391 3.724 -3.187 1.00 15.00 C ATOM 321 CG ASP A 317 6.265 2.309 -2.687 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.798 1.453 -3.460 1.00 15.00 O ATOM 323 OD2 ASP A 317 6.684 2.045 -1.546 1.00 15.00 O1- ATOM 0 H ASP A 317 4.002 2.913 -3.627 1.00 15.00 H new ATOM 0 HA ASP A 317 5.177 5.049 -2.028 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.651 3.703 -4.245 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.215 4.211 -2.666 1.00 15.00 H new ATOM 328 N HIS A 318 5.021 6.859 -3.796 1.00 15.00 N ATOM 329 CA HIS A 318 4.952 7.906 -4.818 1.00 15.00 C ATOM 330 C HIS A 318 6.251 7.965 -5.608 1.00 15.00 C ATOM 331 O HIS A 318 6.323 8.588 -6.665 1.00 15.00 O ATOM 332 CB HIS A 318 4.668 9.286 -4.208 1.00 15.00 C ATOM 333 CG HIS A 318 3.273 9.473 -3.686 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.200 8.695 -4.060 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.788 10.373 -2.804 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.120 9.107 -3.428 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.444 10.127 -2.654 1.00 15.00 N ATOM 0 H HIS A 318 5.060 7.203 -2.836 1.00 15.00 H new ATOM 0 HA HIS A 318 4.127 7.649 -5.482 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.371 9.458 -3.393 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.863 10.048 -4.963 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.236 7.921 -4.723 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.354 11.147 -2.306 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.132 8.681 -3.527 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.806 10.644 -2.049 1.00 15.00 H new ATOM 346 N ASN A 319 7.282 7.328 -5.075 1.00 15.00 N ATOM 347 CA ASN A 319 8.585 7.310 -5.721 1.00 15.00 C ATOM 348 C ASN A 319 8.614 6.273 -6.834 1.00 15.00 C ATOM 349 O ASN A 319 9.225 6.487 -7.882 1.00 15.00 O ATOM 350 CB ASN A 319 9.685 7.008 -4.702 1.00 15.00 C ATOM 351 CG ASN A 319 9.764 8.043 -3.595 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.486 9.223 -3.806 1.00 15.00 O ATOM 353 ND2 ASN A 319 10.120 7.601 -2.401 1.00 15.00 N ATOM 0 H ASN A 319 7.241 6.815 -4.194 1.00 15.00 H new ATOM 0 HA ASN A 319 8.764 8.295 -6.152 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.507 6.026 -4.263 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.645 6.958 -5.215 1.00 15.00 H new ATOM 0 HD21 ASN A 319 10.172 8.246 -1.613 1.00 15.00 H new ATOM 0 HD22 ASN A 319 10.343 6.615 -2.268 1.00 15.00 H new ATOM 360 N ASN A 320 7.970 5.138 -6.595 1.00 15.00 N ATOM 361 CA ASN A 320 7.939 4.060 -7.578 1.00 15.00 C ATOM 362 C ASN A 320 6.625 4.052 -8.357 1.00 15.00 C ATOM 363 O ASN A 320 6.514 3.391 -9.386 1.00 15.00 O ATOM 364 CB ASN A 320 8.136 2.709 -6.894 1.00 15.00 C ATOM 365 CG ASN A 320 8.717 1.663 -7.827 1.00 15.00 C ATOM 366 OD1 ASN A 320 7.997 0.971 -8.542 1.00 15.00 O ATOM 367 ND2 ASN A 320 10.032 1.530 -7.805 1.00 15.00 N ATOM 0 H ASN A 320 7.463 4.939 -5.732 1.00 15.00 H new ATOM 0 HA ASN A 320 8.754 4.234 -8.280 1.00 15.00 H new ATOM 0 HB2 ASN A 320 8.797 2.833 -6.036 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.178 2.357 -6.510 1.00 15.00 H new ATOM 0 HD21 ASN A 320 10.484 0.833 -8.396 1.00 15.00 H new ATOM 0 HD22 ASN A 320 10.595 2.125 -7.197 1.00 15.00 H new ATOM 374 N ARG A 321 5.624 4.772 -7.841 1.00 15.00 N ATOM 375 CA ARG A 321 4.285 4.795 -8.428 1.00 15.00 C ATOM 376 C ARG A 321 3.692 3.390 -8.435 1.00 15.00 C ATOM 377 O ARG A 321 2.975 2.997 -9.358 1.00 15.00 O ATOM 378 CB ARG A 321 4.322 5.393 -9.837 1.00 15.00 C ATOM 379 CG ARG A 321 4.801 6.835 -9.848 1.00 15.00 C ATOM 380 CD ARG A 321 4.759 7.446 -11.236 1.00 15.00 C ATOM 381 NE ARG A 321 5.237 8.827 -11.220 1.00 15.00 N ATOM 382 CZ ARG A 321 4.971 9.726 -12.164 1.00 15.00 C ATOM 383 NH1 ARG A 321 4.260 9.393 -13.234 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 5.430 10.964 -12.039 1.00 15.00 N ATOM 0 H ARG A 321 5.721 5.352 -7.008 1.00 15.00 H new ATOM 0 HA ARG A 321 3.643 5.431 -7.819 1.00 15.00 H new ATOM 0 HB2 ARG A 321 4.978 4.791 -10.466 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.325 5.342 -10.276 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.181 7.426 -9.174 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.820 6.880 -9.465 1.00 15.00 H new ATOM 0 HD2 ARG A 321 5.372 6.854 -11.916 1.00 15.00 H new ATOM 0 HD3 ARG A 321 3.739 7.416 -11.619 1.00 15.00 H new ATOM 0 HE ARG A 321 5.814 9.122 -10.432 1.00 15.00 H new ATOM 0 HH11 ARG A 321 3.912 8.440 -13.339 1.00 15.00 H new ATOM 0 HH12 ARG A 321 4.062 10.090 -13.952 1.00 15.00 H new ATOM 0 HH21 ARG A 321 5.984 11.223 -11.222 1.00 15.00 H new ATOM 0 HH22 ARG A 321 5.229 11.658 -12.760 1.00 15.00 H new ATOM 398 N THR A 322 3.960 2.663 -7.362 1.00 15.00 N ATOM 399 CA THR A 322 3.523 1.276 -7.238 1.00 15.00 C ATOM 400 C THR A 322 2.821 1.058 -5.897 1.00 15.00 C ATOM 401 O THR A 322 3.107 1.759 -4.928 1.00 15.00 O ATOM 402 CB THR A 322 4.725 0.315 -7.383 1.00 15.00 C ATOM 403 OG1 THR A 322 5.360 0.533 -8.650 1.00 15.00 O ATOM 404 CG2 THR A 322 4.297 -1.142 -7.285 1.00 15.00 C ATOM 0 H THR A 322 4.482 3.011 -6.558 1.00 15.00 H new ATOM 0 HA THR A 322 2.814 1.063 -8.038 1.00 15.00 H new ATOM 0 HB THR A 322 5.418 0.522 -6.567 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.237 0.946 -8.509 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.170 -1.786 -7.392 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.831 -1.320 -6.316 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.583 -1.365 -8.077 1.00 15.00 H new ATOM 412 N THR A 323 1.872 0.124 -5.853 1.00 15.00 N ATOM 413 CA THR A 323 1.187 -0.193 -4.612 1.00 15.00 C ATOM 414 C THR A 323 1.770 -1.466 -3.986 1.00 15.00 C ATOM 415 O THR A 323 2.107 -2.420 -4.694 1.00 15.00 O ATOM 416 CB THR A 323 -0.340 -0.333 -4.814 1.00 15.00 C ATOM 417 OG1 THR A 323 -0.990 -0.508 -3.555 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.687 -1.499 -5.722 1.00 15.00 C ATOM 0 H THR A 323 1.565 -0.420 -6.659 1.00 15.00 H new ATOM 0 HA THR A 323 1.348 0.640 -3.928 1.00 15.00 H new ATOM 0 HB THR A 323 -0.688 0.584 -5.289 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.961 -0.506 -3.685 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.769 -1.561 -5.837 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.226 -1.349 -6.698 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.315 -2.425 -5.283 1.00 15.00 H new ATOM 426 N GLN A 324 1.884 -1.471 -2.664 1.00 15.00 N ATOM 427 CA GLN A 324 2.587 -2.527 -1.953 1.00 15.00 C ATOM 428 C GLN A 324 1.657 -3.326 -1.048 1.00 15.00 C ATOM 429 O GLN A 324 1.428 -2.940 0.092 1.00 15.00 O ATOM 430 CB GLN A 324 3.716 -1.929 -1.094 1.00 15.00 C ATOM 431 CG GLN A 324 4.834 -1.280 -1.894 1.00 15.00 C ATOM 432 CD GLN A 324 5.636 -2.297 -2.685 1.00 15.00 C ATOM 433 OE1 GLN A 324 5.815 -3.473 -2.106 1.00 15.00 O flip ATOM 434 NE2 GLN A 324 6.121 -2.023 -3.782 1.00 15.00 N flip ATOM 0 H GLN A 324 1.494 -0.748 -2.059 1.00 15.00 H new ATOM 0 HA GLN A 324 2.997 -3.199 -2.707 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.289 -1.186 -0.420 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.140 -2.717 -0.472 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.410 -0.543 -2.577 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.498 -0.742 -1.217 1.00 15.00 H new ATOM 0 HE21 GLN A 324 5.960 -1.105 -4.196 1.00 15.00 H new ATOM 0 HE22 GLN A 324 6.684 -2.714 -4.278 1.00 15.00 H new ATOM 443 N PHE A 325 1.116 -4.432 -1.558 1.00 15.00 N ATOM 444 CA PHE A 325 0.449 -5.423 -0.704 1.00 15.00 C ATOM 445 C PHE A 325 1.502 -6.147 0.087 1.00 15.00 C ATOM 446 O PHE A 325 1.234 -6.955 0.971 1.00 15.00 O ATOM 447 CB PHE A 325 -0.407 -6.411 -1.487 1.00 15.00 C ATOM 448 CG PHE A 325 -1.862 -6.082 -1.379 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.360 -5.466 -0.235 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.728 -6.372 -2.415 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.701 -5.144 -0.146 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.069 -6.056 -2.325 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.556 -5.440 -1.190 1.00 15.00 C ATOM 0 H PHE A 325 1.124 -4.666 -2.551 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.239 -4.895 -0.044 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.108 -6.402 -2.535 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.233 -7.420 -1.114 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.696 -5.239 0.586 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.352 -6.852 -3.306 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.081 -4.660 0.741 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.736 -6.290 -3.142 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.604 -5.190 -1.118 1.00 15.00 H new ATOM 463 N THR A 326 2.708 -5.865 -0.313 1.00 15.00 N ATOM 464 CA THR A 326 3.880 -6.388 0.345 1.00 15.00 C ATOM 465 C THR A 326 4.299 -5.315 1.331 1.00 15.00 C ATOM 466 O THR A 326 5.061 -4.404 0.997 1.00 15.00 O ATOM 467 CB THR A 326 5.031 -6.681 -0.638 1.00 15.00 C ATOM 468 OG1 THR A 326 4.523 -7.351 -1.800 1.00 15.00 O ATOM 469 CG2 THR A 326 6.097 -7.544 0.020 1.00 15.00 C ATOM 0 H THR A 326 2.912 -5.262 -1.110 1.00 15.00 H new ATOM 0 HA THR A 326 3.653 -7.340 0.825 1.00 15.00 H new ATOM 0 HB THR A 326 5.481 -5.732 -0.930 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.259 -7.533 -2.421 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.899 -7.738 -0.692 1.00 15.00 H new ATOM 0 HG22 THR A 326 6.501 -7.024 0.889 1.00 15.00 H new ATOM 0 HG23 THR A 326 5.656 -8.489 0.336 1.00 15.00 H new ATOM 477 N ASP A 327 3.762 -5.403 2.526 1.00 15.00 N ATOM 478 CA ASP A 327 3.720 -4.287 3.426 1.00 15.00 C ATOM 479 C ASP A 327 4.557 -4.472 4.637 1.00 15.00 C ATOM 480 O ASP A 327 4.796 -5.582 5.118 1.00 15.00 O ATOM 481 CB ASP A 327 2.312 -3.948 3.861 1.00 15.00 C ATOM 482 CG ASP A 327 1.437 -5.156 4.139 1.00 15.00 C ATOM 483 OD1 ASP A 327 1.991 -6.248 4.372 1.00 15.00 O1- ATOM 484 OD2 ASP A 327 0.203 -5.004 4.184 1.00 15.00 O ATOM 0 H ASP A 327 3.342 -6.255 2.897 1.00 15.00 H new ATOM 0 HA ASP A 327 4.131 -3.461 2.846 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.360 -3.334 4.760 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.841 -3.343 3.087 1.00 15.00 H new ATOM 489 N PRO A 328 5.015 -3.342 5.143 1.00 15.00 N ATOM 490 CA PRO A 328 5.676 -3.274 6.423 1.00 15.00 C ATOM 491 C PRO A 328 4.688 -3.762 7.499 1.00 15.00 C ATOM 492 O PRO A 328 5.058 -4.044 8.637 1.00 15.00 O ATOM 493 CB PRO A 328 6.051 -1.784 6.553 1.00 15.00 C ATOM 494 CG PRO A 328 5.884 -1.213 5.170 1.00 15.00 C ATOM 495 CD PRO A 328 4.809 -2.011 4.546 1.00 15.00 C ATOM 0 HA PRO A 328 6.563 -3.898 6.531 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.405 -1.276 7.269 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.075 -1.665 6.907 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.617 -0.157 5.210 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.810 -1.286 4.600 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.821 -1.611 4.775 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.899 -2.035 3.460 1.00 15.00 H new ATOM 503 N ARG A 329 3.405 -3.830 7.093 1.00 15.00 N ATOM 504 CA ARG A 329 2.329 -4.433 7.878 1.00 15.00 C ATOM 505 C ARG A 329 2.574 -5.928 8.111 1.00 15.00 C ATOM 506 O ARG A 329 2.636 -6.378 9.257 1.00 15.00 O ATOM 507 CB ARG A 329 0.964 -4.227 7.183 1.00 15.00 C ATOM 508 CG ARG A 329 0.448 -2.804 7.297 1.00 15.00 C ATOM 509 CD ARG A 329 -0.025 -2.497 8.708 1.00 15.00 C ATOM 510 NE ARG A 329 -1.140 -3.359 9.106 1.00 15.00 N ATOM 511 CZ ARG A 329 -2.147 -2.968 9.886 1.00 15.00 C ATOM 512 NH1 ARG A 329 -2.176 -1.733 10.381 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -3.129 -3.814 10.168 1.00 15.00 N ATOM 0 H ARG A 329 3.090 -3.460 6.196 1.00 15.00 H new ATOM 0 HA ARG A 329 2.314 -3.934 8.847 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.056 -4.491 6.129 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.234 -4.908 7.620 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.237 -2.106 7.016 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.373 -2.656 6.596 1.00 15.00 H new ATOM 0 HD2 ARG A 329 0.802 -2.627 9.405 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.332 -1.453 8.770 1.00 15.00 H new ATOM 0 HE ARG A 329 -1.146 -4.320 8.764 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -1.424 -1.079 10.164 1.00 15.00 H new ATOM 0 HH12 ARG A 329 -2.950 -1.441 10.977 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -3.112 -4.760 9.788 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -3.901 -3.518 10.765 1.00 15.00 H new ATOM 645 N PRO B 207 -3.796 -9.288 -7.231 1.00 15.00 N ATOM 646 CA PRO B 207 -3.729 -7.931 -7.782 1.00 15.00 C ATOM 647 C PRO B 207 -4.264 -6.861 -6.826 1.00 15.00 C ATOM 648 O PRO B 207 -5.426 -6.901 -6.416 1.00 15.00 O ATOM 649 CB PRO B 207 -4.608 -8.001 -9.044 1.00 15.00 C ATOM 650 CG PRO B 207 -5.211 -9.373 -9.076 1.00 15.00 C ATOM 651 CD PRO B 207 -4.387 -10.236 -8.166 1.00 15.00 C ATOM 0 HA PRO B 207 -2.696 -7.640 -7.975 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.385 -7.238 -9.016 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.014 -7.819 -9.940 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.249 -9.346 -8.746 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -5.210 -9.771 -10.091 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.001 -10.976 -7.652 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -3.623 -10.784 -8.717 1.00 15.00 H new ATOM 659 N PRO B 208 -3.403 -5.895 -6.452 1.00 15.00 N ATOM 660 CA PRO B 208 -3.772 -4.798 -5.566 1.00 15.00 C ATOM 661 C PRO B 208 -4.439 -3.637 -6.309 1.00 15.00 C ATOM 662 O PRO B 208 -4.484 -3.619 -7.541 1.00 15.00 O ATOM 663 CB PRO B 208 -2.424 -4.348 -4.969 1.00 15.00 C ATOM 664 CG PRO B 208 -1.361 -5.157 -5.642 1.00 15.00 C ATOM 665 CD PRO B 208 -1.992 -5.808 -6.836 1.00 15.00 C ATOM 0 HA PRO B 208 -4.503 -5.112 -4.821 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.263 -3.283 -5.137 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.406 -4.507 -3.891 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.528 -4.523 -5.945 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.959 -5.908 -4.961 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.855 -5.214 -7.740 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.565 -6.791 -7.033 1.00 15.00 H new ATOM 673 N PRO B 209 -4.972 -2.662 -5.548 1.00 15.00 N ATOM 674 CA PRO B 209 -5.578 -1.440 -6.100 1.00 15.00 C ATOM 675 C PRO B 209 -4.681 -0.743 -7.134 1.00 15.00 C ATOM 676 O PRO B 209 -3.488 -0.550 -6.892 1.00 15.00 O ATOM 677 CB PRO B 209 -5.731 -0.537 -4.870 1.00 15.00 C ATOM 678 CG PRO B 209 -5.766 -1.448 -3.694 1.00 15.00 C ATOM 679 CD PRO B 209 -5.037 -2.701 -4.077 1.00 15.00 C ATOM 0 HA PRO B 209 -6.508 -1.660 -6.623 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.900 0.165 -4.795 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.644 0.055 -4.932 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.295 -0.978 -2.830 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.795 -1.673 -3.413 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.040 -2.729 -3.637 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.565 -3.588 -3.727 1.00 15.00 H new ATOM 687 N PRO B 210 -5.246 -0.347 -8.295 1.00 15.00 N ATOM 688 CA PRO B 210 -4.508 0.403 -9.325 1.00 15.00 C ATOM 689 C PRO B 210 -3.935 1.700 -8.759 1.00 15.00 C ATOM 690 O PRO B 210 -4.565 2.341 -7.912 1.00 15.00 O ATOM 691 CB PRO B 210 -5.566 0.699 -10.396 1.00 15.00 C ATOM 692 CG PRO B 210 -6.882 0.463 -9.733 1.00 15.00 C ATOM 693 CD PRO B 210 -6.641 -0.591 -8.692 1.00 15.00 C ATOM 0 HA PRO B 210 -3.656 -0.154 -9.714 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.485 1.725 -10.754 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.441 0.049 -11.262 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.260 1.379 -9.279 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -7.629 0.134 -10.455 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.325 -0.490 -7.849 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.777 -1.595 -9.094 1.00 15.00 H new ATOM 701 N TYR B 211 -2.760 2.102 -9.239 1.00 15.00 N ATOM 702 CA TYR B 211 -2.041 3.208 -8.620 1.00 15.00 C ATOM 703 C TYR B 211 -2.713 4.563 -8.837 1.00 15.00 C ATOM 704 O TYR B 211 -2.556 5.208 -9.877 1.00 15.00 O ATOM 705 CB TYR B 211 -0.583 3.290 -9.074 1.00 15.00 C ATOM 706 CG TYR B 211 0.195 4.342 -8.305 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.512 4.147 -6.966 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.598 5.529 -8.905 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.207 5.103 -6.250 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.294 6.486 -8.188 1.00 15.00 C ATOM 711 CZ TYR B 211 1.591 6.267 -6.870 1.00 15.00 C ATOM 712 OH TYR B 211 2.291 7.222 -6.178 1.00 15.00 O ATOM 0 H TYR B 211 -2.293 1.684 -10.043 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.066 2.984 -7.554 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.107 2.318 -8.941 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.548 3.520 -10.139 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.210 3.233 -6.477 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.365 5.707 -9.944 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.447 4.936 -5.210 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.602 7.404 -8.667 1.00 15.00 H new ATOM 0 HH TYR B 211 2.482 7.980 -6.769 1.00 15.00 H new ATOM 722 N SER B 212 -3.499 4.938 -7.853 1.00 15.00 N ATOM 723 CA SER B 212 -3.927 6.305 -7.650 1.00 15.00 C ATOM 724 C SER B 212 -3.263 6.744 -6.356 1.00 15.00 C ATOM 725 O SER B 212 -3.013 5.892 -5.505 1.00 15.00 O ATOM 726 CB SER B 212 -5.454 6.401 -7.553 1.00 15.00 C ATOM 727 OG SER B 212 -5.880 7.752 -7.640 1.00 15.00 O ATOM 0 H SER B 212 -3.866 4.289 -7.157 1.00 15.00 H new ATOM 0 HA SER B 212 -3.643 6.945 -8.486 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.911 5.818 -8.353 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.791 5.968 -6.611 1.00 15.00 H new ATOM 0 HG SER B 212 -6.857 7.792 -7.578 1.00 15.00 H new ATOM 733 N ARG B 213 -2.962 8.030 -6.186 1.00 15.00 N ATOM 734 CA ARG B 213 -2.134 8.440 -5.053 1.00 15.00 C ATOM 735 C ARG B 213 -2.815 8.031 -3.758 1.00 15.00 C ATOM 736 O ARG B 213 -2.201 7.414 -2.890 1.00 15.00 O ATOM 737 CB ARG B 213 -1.928 9.960 -4.997 1.00 15.00 C ATOM 738 CG ARG B 213 -1.487 10.617 -6.281 1.00 15.00 C ATOM 739 CD ARG B 213 -1.221 12.104 -6.089 1.00 15.00 C ATOM 740 NE ARG B 213 -2.333 12.790 -5.424 1.00 15.00 N ATOM 741 CZ ARG B 213 -3.148 13.659 -6.024 1.00 15.00 C ATOM 742 NH1 ARG B 213 -3.024 13.911 -7.322 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -4.088 14.277 -5.318 1.00 15.00 N ATOM 0 H ARG B 213 -3.268 8.786 -6.798 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.166 7.955 -5.178 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.863 10.422 -4.679 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.187 10.178 -4.228 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -0.583 10.130 -6.648 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -2.255 10.480 -7.043 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.313 12.235 -5.500 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -1.041 12.566 -7.060 1.00 15.00 H new ATOM 0 HE ARG B 213 -2.494 12.589 -4.437 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -2.302 13.439 -7.866 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -3.651 14.577 -7.774 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -4.185 14.086 -4.321 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -4.713 14.942 -5.773 1.00 15.00 H new ATOM 757 N TYR B 214 -4.068 8.420 -3.617 1.00 15.00 N ATOM 758 CA TYR B 214 -4.857 8.052 -2.457 1.00 15.00 C ATOM 759 C TYR B 214 -6.081 7.274 -2.904 1.00 15.00 C ATOM 760 O TYR B 214 -7.143 7.847 -3.153 1.00 15.00 O ATOM 761 CB TYR B 214 -5.224 9.307 -1.643 1.00 15.00 C ATOM 762 CG TYR B 214 -4.017 10.192 -1.409 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.454 10.898 -2.459 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.405 10.268 -0.169 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.317 11.650 -2.299 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.269 11.035 0.014 1.00 15.00 C ATOM 767 CZ TYR B 214 -1.727 11.720 -1.056 1.00 15.00 C ATOM 768 OH TYR B 214 -0.583 12.462 -0.879 1.00 15.00 O ATOM 0 H TYR B 214 -4.564 8.995 -4.297 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.275 7.406 -1.800 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -5.993 9.871 -2.170 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.648 9.009 -0.684 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -3.923 10.856 -3.431 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.820 9.722 0.665 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -1.890 12.180 -3.137 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -1.808 11.098 0.989 1.00 15.00 H new ATOM 0 HH TYR B 214 0.103 11.908 -0.452 1.00 15.00 H new ATOM 778 N PRO B 215 -5.915 5.961 -3.083 1.00 15.00 N ATOM 779 CA PRO B 215 -6.988 5.089 -3.546 1.00 15.00 C ATOM 780 C PRO B 215 -8.034 4.887 -2.459 1.00 15.00 C ATOM 781 O PRO B 215 -7.732 4.369 -1.387 1.00 15.00 O ATOM 782 CB PRO B 215 -6.266 3.779 -3.879 1.00 15.00 C ATOM 783 CG PRO B 215 -5.027 3.792 -3.046 1.00 15.00 C ATOM 784 CD PRO B 215 -4.662 5.230 -2.833 1.00 15.00 C ATOM 0 HA PRO B 215 -7.532 5.497 -4.398 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.889 2.916 -3.645 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.026 3.720 -4.941 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.197 3.291 -2.093 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.219 3.258 -3.547 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.295 5.402 -1.821 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.873 5.546 -3.516 1.00 15.00 H new