USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 369 hydrogens (2 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 303 ASN : amide:sc= 0.998 K(o=3,f=1.8) USER MOD Set 1.2: A 305 THR OG1 : rot 25:sc= 1.97 USER MOD Single : A 290 SER OG : rot 111:sc= 0.273 USER MOD Single : A 291 THR OG1 : rot -140:sc=-0.00951 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= -0.027 USER MOD Single : A 301 HIS : no HE2:sc= -13.4! C(o=-13!,f=-7.5!) USER MOD Single : A 302 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.0009) USER MOD Single : A 306 THR OG1 : rot -160:sc= -0.596 USER MOD Single : A 307 GLN : amide:sc= -5.1! C(o=-5.1!,f=-3.9!) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -14.769 3.952 -2.616 1.00 15.00 N ATOM 2 CA LEU A 279 -15.727 4.685 -1.754 1.00 15.00 C ATOM 3 C LEU A 279 -15.435 4.469 -0.270 1.00 15.00 C ATOM 4 O LEU A 279 -16.145 4.999 0.587 1.00 15.00 O ATOM 5 CB LEU A 279 -17.170 4.261 -2.084 1.00 15.00 C ATOM 6 CG LEU A 279 -17.449 2.747 -2.126 1.00 15.00 C ATOM 7 CD1 LEU A 279 -17.495 2.142 -0.728 1.00 15.00 C ATOM 8 CD2 LEU A 279 -18.752 2.473 -2.860 1.00 15.00 C ATOM 0 HA LEU A 279 -15.610 5.749 -1.959 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -17.835 4.710 -1.346 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -17.437 4.684 -3.052 1.00 15.00 H new ATOM 0 HG LEU A 279 -16.627 2.274 -2.664 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -17.694 1.073 -0.801 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -16.538 2.300 -0.231 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -18.286 2.620 -0.151 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -18.938 1.399 -2.883 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -19.572 2.972 -2.344 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -18.681 2.851 -3.880 1.00 15.00 H new ATOM 22 N GLY A 280 -14.395 3.705 0.036 1.00 15.00 N ATOM 23 CA GLY A 280 -14.109 3.370 1.415 1.00 15.00 C ATOM 24 C GLY A 280 -13.169 4.353 2.085 1.00 15.00 C ATOM 25 O GLY A 280 -12.723 5.321 1.466 1.00 15.00 O ATOM 0 H GLY A 280 -13.746 3.312 -0.646 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -15.044 3.332 1.974 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -13.672 2.372 1.457 1.00 15.00 H new ATOM 29 N PRO A 281 -12.848 4.112 3.360 1.00 15.00 N ATOM 30 CA PRO A 281 -12.013 5.005 4.169 1.00 15.00 C ATOM 31 C PRO A 281 -10.518 4.687 4.088 1.00 15.00 C ATOM 32 O PRO A 281 -10.121 3.527 3.971 1.00 15.00 O ATOM 33 CB PRO A 281 -12.524 4.696 5.570 1.00 15.00 C ATOM 34 CG PRO A 281 -12.792 3.229 5.527 1.00 15.00 C ATOM 35 CD PRO A 281 -13.307 2.945 4.142 1.00 15.00 C ATOM 0 HA PRO A 281 -12.086 6.044 3.848 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -11.785 4.947 6.331 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.426 5.262 5.802 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -11.885 2.660 5.731 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -13.524 2.943 6.282 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -12.904 2.013 3.747 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -14.393 2.854 4.128 1.00 15.00 H new ATOM 43 N LEU A 282 -9.693 5.722 4.180 1.00 15.00 N ATOM 44 CA LEU A 282 -8.252 5.539 4.281 1.00 15.00 C ATOM 45 C LEU A 282 -7.803 5.796 5.719 1.00 15.00 C ATOM 46 O LEU A 282 -7.829 6.934 6.186 1.00 15.00 O ATOM 47 CB LEU A 282 -7.513 6.478 3.323 1.00 15.00 C ATOM 48 CG LEU A 282 -5.990 6.317 3.302 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.606 4.937 2.789 1.00 15.00 C ATOM 50 CD2 LEU A 282 -5.351 7.403 2.452 1.00 15.00 C ATOM 0 H LEU A 282 -9.997 6.696 4.187 1.00 15.00 H new ATOM 0 HA LEU A 282 -8.011 4.513 4.003 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.894 6.316 2.315 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.750 7.507 3.592 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.618 6.418 4.322 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.520 4.841 2.781 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.033 4.175 3.441 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -5.989 4.805 1.777 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -4.269 7.273 2.449 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.728 7.335 1.431 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -5.597 8.381 2.866 1.00 15.00 H new ATOM 62 N PRO A 283 -7.429 4.736 6.446 1.00 15.00 N ATOM 63 CA PRO A 283 -7.018 4.834 7.852 1.00 15.00 C ATOM 64 C PRO A 283 -5.668 5.531 8.025 1.00 15.00 C ATOM 65 O PRO A 283 -4.741 5.307 7.247 1.00 15.00 O ATOM 66 CB PRO A 283 -6.915 3.369 8.308 1.00 15.00 C ATOM 67 CG PRO A 283 -7.558 2.563 7.229 1.00 15.00 C ATOM 68 CD PRO A 283 -7.384 3.351 5.966 1.00 15.00 C ATOM 0 HA PRO A 283 -7.725 5.429 8.430 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -5.875 3.075 8.449 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.420 3.220 9.262 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.091 1.582 7.144 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.614 2.396 7.443 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.439 3.123 5.473 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.177 3.145 5.247 1.00 15.00 H new ATOM 76 N PRO A 284 -5.540 6.380 9.059 1.00 15.00 N ATOM 77 CA PRO A 284 -4.276 7.049 9.374 1.00 15.00 C ATOM 78 C PRO A 284 -3.184 6.041 9.726 1.00 15.00 C ATOM 79 O PRO A 284 -3.346 5.221 10.634 1.00 15.00 O ATOM 80 CB PRO A 284 -4.615 7.930 10.583 1.00 15.00 C ATOM 81 CG PRO A 284 -5.864 7.351 11.155 1.00 15.00 C ATOM 82 CD PRO A 284 -6.611 6.749 9.998 1.00 15.00 C ATOM 0 HA PRO A 284 -3.888 7.619 8.530 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -3.807 7.922 11.314 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -4.764 8.968 10.284 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -5.635 6.596 11.907 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.460 8.119 11.647 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.195 5.881 10.304 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.307 7.461 9.555 1.00 15.00 H new ATOM 90 N GLY A 285 -2.079 6.101 8.997 1.00 15.00 N ATOM 91 CA GLY A 285 -1.028 5.115 9.159 1.00 15.00 C ATOM 92 C GLY A 285 -0.860 4.296 7.901 1.00 15.00 C ATOM 93 O GLY A 285 0.093 3.524 7.764 1.00 15.00 O ATOM 0 H GLY A 285 -1.890 6.816 8.295 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.090 5.614 9.401 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.265 4.459 9.996 1.00 15.00 H new ATOM 97 N TRP A 286 -1.789 4.487 6.975 1.00 15.00 N ATOM 98 CA TRP A 286 -1.751 3.810 5.693 1.00 15.00 C ATOM 99 C TRP A 286 -0.977 4.627 4.686 1.00 15.00 C ATOM 100 O TRP A 286 -1.447 5.666 4.216 1.00 15.00 O ATOM 101 CB TRP A 286 -3.170 3.567 5.159 1.00 15.00 C ATOM 102 CG TRP A 286 -3.744 2.253 5.565 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.826 1.758 6.833 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.312 1.257 4.702 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.387 0.508 6.817 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.690 0.174 5.525 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.532 1.155 3.314 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.269 -0.982 5.017 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.099 -0.004 2.824 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.457 -1.057 3.668 1.00 15.00 C ATOM 0 H TRP A 286 -2.585 5.113 7.093 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.256 2.850 5.841 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.824 4.364 5.513 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -3.155 3.627 4.071 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.496 2.276 7.721 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.552 -0.078 7.635 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.264 1.964 2.650 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.560 -1.793 5.668 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.270 -0.099 1.762 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -5.892 -1.950 3.244 1.00 15.00 H new ATOM 121 N GLU A 287 0.222 4.175 4.385 1.00 15.00 N ATOM 122 CA GLU A 287 1.009 4.779 3.343 1.00 15.00 C ATOM 123 C GLU A 287 0.766 4.010 2.060 1.00 15.00 C ATOM 124 O GLU A 287 1.001 2.804 1.995 1.00 15.00 O ATOM 125 CB GLU A 287 2.490 4.780 3.736 1.00 15.00 C ATOM 126 CG GLU A 287 2.960 6.098 4.341 1.00 15.00 C ATOM 127 CD GLU A 287 2.139 6.527 5.545 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.369 5.985 6.647 1.00 15.00 O1- ATOM 129 OE2 GLU A 287 1.272 7.410 5.399 1.00 15.00 O ATOM 0 H GLU A 287 0.670 3.387 4.853 1.00 15.00 H new ATOM 0 HA GLU A 287 0.718 5.819 3.193 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.668 3.977 4.452 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.091 4.560 2.854 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.005 6.003 4.636 1.00 15.00 H new ATOM 0 HG3 GLU A 287 2.913 6.877 3.580 1.00 15.00 H new ATOM 136 N VAL A 288 0.260 4.687 1.047 1.00 15.00 N ATOM 137 CA VAL A 288 -0.063 4.015 -0.193 1.00 15.00 C ATOM 138 C VAL A 288 1.166 4.046 -1.093 1.00 15.00 C ATOM 139 O VAL A 288 1.648 5.107 -1.490 1.00 15.00 O ATOM 140 CB VAL A 288 -1.335 4.622 -0.886 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.221 5.326 0.131 1.00 15.00 C ATOM 142 CG2 VAL A 288 -1.015 5.567 -2.041 1.00 15.00 C ATOM 0 H VAL A 288 0.066 5.688 1.058 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.325 2.978 0.015 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.868 3.774 -1.316 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -3.096 5.738 -0.372 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.542 4.612 0.890 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.661 6.132 0.605 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.943 5.946 -2.469 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.418 6.401 -1.674 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -0.455 5.030 -2.806 1.00 15.00 H new ATOM 152 N ARG A 289 1.736 2.881 -1.335 1.00 15.00 N ATOM 153 CA ARG A 289 2.948 2.803 -2.117 1.00 15.00 C ATOM 154 C ARG A 289 2.581 2.355 -3.531 1.00 15.00 C ATOM 155 O ARG A 289 2.270 1.190 -3.773 1.00 15.00 O ATOM 156 CB ARG A 289 3.971 1.885 -1.402 1.00 15.00 C ATOM 157 CG ARG A 289 5.438 2.194 -1.707 1.00 15.00 C ATOM 158 CD ARG A 289 5.847 1.859 -3.133 1.00 15.00 C ATOM 159 NE ARG A 289 7.244 2.222 -3.389 1.00 15.00 N ATOM 160 CZ ARG A 289 8.151 1.413 -3.940 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.850 0.153 -4.222 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.374 1.867 -4.180 1.00 15.00 N ATOM 0 H ARG A 289 1.381 1.984 -1.003 1.00 15.00 H new ATOM 0 HA ARG A 289 3.437 3.773 -2.207 1.00 15.00 H new ATOM 0 HB2 ARG A 289 3.815 1.961 -0.326 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.767 0.851 -1.681 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.623 3.252 -1.524 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.070 1.636 -1.016 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.708 0.793 -3.312 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.199 2.387 -3.832 1.00 15.00 H new ATOM 0 HE ARG A 289 7.545 3.161 -3.127 1.00 15.00 H new ATOM 0 HH11 ARG A 289 6.918 -0.207 -4.018 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.551 -0.457 -4.643 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.616 2.829 -3.944 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.072 1.254 -4.601 1.00 15.00 H new ATOM 176 N SER A 290 2.526 3.327 -4.440 1.00 15.00 N ATOM 177 CA SER A 290 2.063 3.090 -5.795 1.00 15.00 C ATOM 178 C SER A 290 3.239 2.960 -6.749 1.00 15.00 C ATOM 179 O SER A 290 4.140 3.794 -6.756 1.00 15.00 O ATOM 180 CB SER A 290 1.143 4.238 -6.221 1.00 15.00 C ATOM 181 OG SER A 290 1.666 5.491 -5.803 1.00 15.00 O ATOM 0 H SER A 290 2.800 4.292 -4.255 1.00 15.00 H new ATOM 0 HA SER A 290 1.506 2.154 -5.826 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.026 4.232 -7.305 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.151 4.092 -5.792 1.00 15.00 H new ATOM 0 HG SER A 290 1.963 5.999 -6.587 1.00 15.00 H new ATOM 187 N THR A 291 3.223 1.923 -7.566 1.00 15.00 N ATOM 188 CA THR A 291 4.336 1.662 -8.456 1.00 15.00 C ATOM 189 C THR A 291 3.899 1.656 -9.915 1.00 15.00 C ATOM 190 O THR A 291 2.801 1.189 -10.247 1.00 15.00 O ATOM 191 CB THR A 291 5.032 0.337 -8.100 1.00 15.00 C ATOM 192 OG1 THR A 291 4.062 -0.712 -7.976 1.00 15.00 O ATOM 193 CG2 THR A 291 5.803 0.472 -6.797 1.00 15.00 C ATOM 0 H THR A 291 2.457 1.253 -7.631 1.00 15.00 H new ATOM 0 HA THR A 291 5.051 2.474 -8.323 1.00 15.00 H new ATOM 0 HB THR A 291 5.730 0.091 -8.900 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.298 -1.288 -7.219 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.288 -0.475 -6.562 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.558 1.251 -6.900 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.116 0.737 -5.993 1.00 15.00 H new ATOM 201 N VAL A 292 4.781 2.167 -10.773 1.00 15.00 N ATOM 202 CA VAL A 292 4.513 2.321 -12.205 1.00 15.00 C ATOM 203 C VAL A 292 4.214 0.990 -12.892 1.00 15.00 C ATOM 204 O VAL A 292 3.722 0.965 -14.020 1.00 15.00 O ATOM 205 CB VAL A 292 5.687 3.016 -12.924 1.00 15.00 C ATOM 206 CG1 VAL A 292 5.802 4.468 -12.479 1.00 15.00 C ATOM 207 CG2 VAL A 292 6.990 2.274 -12.667 1.00 15.00 C ATOM 0 H VAL A 292 5.708 2.488 -10.494 1.00 15.00 H new ATOM 0 HA VAL A 292 3.623 2.946 -12.278 1.00 15.00 H new ATOM 0 HB VAL A 292 5.490 2.999 -13.996 1.00 15.00 H new ATOM 0 HG11 VAL A 292 6.636 4.942 -12.997 1.00 15.00 H new ATOM 0 HG12 VAL A 292 4.879 4.996 -12.718 1.00 15.00 H new ATOM 0 HG13 VAL A 292 5.974 4.506 -11.403 1.00 15.00 H new ATOM 0 HG21 VAL A 292 7.805 2.781 -13.183 1.00 15.00 H new ATOM 0 HG22 VAL A 292 7.194 2.256 -11.596 1.00 15.00 H new ATOM 0 HG23 VAL A 292 6.906 1.252 -13.037 1.00 15.00 H new ATOM 217 N SER A 293 4.532 -0.110 -12.215 1.00 15.00 N ATOM 218 CA SER A 293 4.195 -1.447 -12.692 1.00 15.00 C ATOM 219 C SER A 293 2.682 -1.598 -12.891 1.00 15.00 C ATOM 220 O SER A 293 2.219 -2.551 -13.518 1.00 15.00 O ATOM 221 CB SER A 293 4.697 -2.496 -11.700 1.00 15.00 C ATOM 222 OG SER A 293 6.069 -2.291 -11.395 1.00 15.00 O ATOM 0 H SER A 293 5.028 -0.100 -11.324 1.00 15.00 H new ATOM 0 HA SER A 293 4.682 -1.597 -13.656 1.00 15.00 H new ATOM 0 HB2 SER A 293 4.106 -2.449 -10.785 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.558 -3.493 -12.118 1.00 15.00 H new ATOM 0 HG SER A 293 6.368 -2.973 -10.757 1.00 15.00 H new ATOM 228 N GLY A 294 1.920 -0.666 -12.328 1.00 15.00 N ATOM 229 CA GLY A 294 0.480 -0.716 -12.451 1.00 15.00 C ATOM 230 C GLY A 294 -0.147 -1.499 -11.325 1.00 15.00 C ATOM 231 O GLY A 294 -1.022 -2.338 -11.551 1.00 15.00 O ATOM 0 H GLY A 294 2.277 0.123 -11.789 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.079 0.298 -12.457 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.211 -1.171 -13.405 1.00 15.00 H new ATOM 235 N ARG A 295 0.310 -1.243 -10.112 1.00 15.00 N ATOM 236 CA ARG A 295 -0.203 -1.947 -8.947 1.00 15.00 C ATOM 237 C ARG A 295 -0.131 -1.061 -7.705 1.00 15.00 C ATOM 238 O ARG A 295 0.922 -0.494 -7.387 1.00 15.00 O ATOM 239 CB ARG A 295 0.577 -3.257 -8.720 1.00 15.00 C ATOM 240 CG ARG A 295 2.065 -3.052 -8.485 1.00 15.00 C ATOM 241 CD ARG A 295 2.778 -4.373 -8.271 1.00 15.00 C ATOM 242 NE ARG A 295 4.198 -4.201 -7.969 1.00 15.00 N ATOM 243 CZ ARG A 295 5.076 -5.207 -7.966 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.708 -6.410 -8.386 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.332 -5.001 -7.593 1.00 15.00 N ATOM 0 H ARG A 295 1.034 -0.554 -9.907 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.248 -2.194 -9.131 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.152 -3.778 -7.862 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.441 -3.905 -9.586 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.502 -2.535 -9.339 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.213 -2.412 -7.615 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.299 -4.912 -7.454 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.672 -4.988 -9.165 1.00 15.00 H new ATOM 0 HE ARG A 295 4.536 -3.264 -7.749 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.754 -6.567 -8.711 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.379 -7.178 -8.384 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.633 -4.069 -7.306 1.00 15.00 H new ATOM 0 HH22 ARG A 295 6.997 -5.774 -7.593 1.00 15.00 H new ATOM 259 N ILE A 296 -1.257 -0.940 -7.014 1.00 15.00 N ATOM 260 CA ILE A 296 -1.280 -0.283 -5.718 1.00 15.00 C ATOM 261 C ILE A 296 -1.020 -1.349 -4.665 1.00 15.00 C ATOM 262 O ILE A 296 -1.571 -2.448 -4.744 1.00 15.00 O ATOM 263 CB ILE A 296 -2.632 0.440 -5.437 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.580 1.231 -4.129 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.796 -0.535 -5.386 1.00 15.00 C ATOM 266 CD1 ILE A 296 -1.744 2.483 -4.200 1.00 15.00 C ATOM 0 H ILE A 296 -2.162 -1.288 -7.330 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.514 0.492 -5.696 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.790 1.129 -6.267 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -3.596 1.501 -3.840 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -2.185 0.587 -3.343 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.719 0.010 -5.188 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.879 -1.053 -6.341 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.627 -1.262 -4.592 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -1.759 2.986 -3.233 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -0.718 2.221 -4.457 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -2.150 3.149 -4.961 1.00 15.00 H new ATOM 278 N TYR A 297 -0.159 -1.062 -3.711 1.00 15.00 N ATOM 279 CA TYR A 297 0.226 -2.078 -2.757 1.00 15.00 C ATOM 280 C TYR A 297 0.563 -1.389 -1.470 1.00 15.00 C ATOM 281 O TYR A 297 1.327 -0.418 -1.436 1.00 15.00 O ATOM 282 CB TYR A 297 1.364 -2.990 -3.273 1.00 15.00 C ATOM 283 CG TYR A 297 2.784 -2.557 -2.971 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.401 -1.557 -3.705 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.519 -3.176 -1.959 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.701 -1.181 -3.439 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.817 -2.799 -1.689 1.00 15.00 C ATOM 288 CZ TYR A 297 5.403 -1.803 -2.430 1.00 15.00 C ATOM 289 OH TYR A 297 6.696 -1.423 -2.163 1.00 15.00 O ATOM 0 H TYR A 297 0.280 -0.151 -3.577 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.605 -2.764 -2.596 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.217 -3.985 -2.853 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.261 -3.082 -4.354 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.856 -1.065 -4.497 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.063 -3.964 -1.378 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.168 -0.400 -4.021 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.370 -3.285 -0.899 1.00 15.00 H new ATOM 0 HH TYR A 297 7.048 -1.959 -1.422 1.00 15.00 H new ATOM 299 N PHE A 298 -0.042 -1.856 -0.421 1.00 15.00 N ATOM 300 CA PHE A 298 -0.028 -1.120 0.785 1.00 15.00 C ATOM 301 C PHE A 298 1.106 -1.426 1.671 1.00 15.00 C ATOM 302 O PHE A 298 1.537 -2.562 1.803 1.00 15.00 O ATOM 303 CB PHE A 298 -1.313 -1.268 1.531 1.00 15.00 C ATOM 304 CG PHE A 298 -2.101 -0.074 1.260 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.769 1.101 1.898 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.118 -0.091 0.335 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.454 2.244 1.630 1.00 15.00 C ATOM 308 CE2 PHE A 298 -3.809 1.056 0.069 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.473 2.213 0.719 1.00 15.00 C ATOM 0 H PHE A 298 -0.547 -2.741 -0.385 1.00 15.00 H new ATOM 0 HA PHE A 298 0.097 -0.083 0.474 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.845 -2.163 1.209 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.129 -1.374 2.600 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -0.961 1.114 2.614 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.369 -1.007 -0.179 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.196 3.166 2.131 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.615 1.051 -0.649 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.023 3.118 0.508 1.00 15.00 H new ATOM 319 N VAL A 299 1.534 -0.365 2.298 1.00 15.00 N ATOM 320 CA VAL A 299 2.596 -0.386 3.239 1.00 15.00 C ATOM 321 C VAL A 299 2.186 0.490 4.419 1.00 15.00 C ATOM 322 O VAL A 299 2.399 1.705 4.445 1.00 15.00 O ATOM 323 CB VAL A 299 3.893 0.125 2.575 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.402 -0.879 1.546 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.642 1.459 1.893 1.00 15.00 C ATOM 0 H VAL A 299 1.134 0.563 2.157 1.00 15.00 H new ATOM 0 HA VAL A 299 2.791 -1.399 3.591 1.00 15.00 H new ATOM 0 HB VAL A 299 4.646 0.250 3.353 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.316 -0.500 1.090 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.608 -1.830 2.037 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.645 -1.025 0.775 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.564 1.809 1.428 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.874 1.338 1.129 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.308 2.188 2.631 1.00 15.00 H new ATOM 335 N ASP A 300 1.539 -0.123 5.381 1.00 15.00 N ATOM 336 CA ASP A 300 1.102 0.602 6.548 1.00 15.00 C ATOM 337 C ASP A 300 2.176 0.500 7.610 1.00 15.00 C ATOM 338 O ASP A 300 2.556 -0.601 8.031 1.00 15.00 O ATOM 339 CB ASP A 300 -0.258 0.087 7.031 1.00 15.00 C ATOM 340 CG ASP A 300 -0.266 -0.284 8.495 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.290 0.627 9.352 1.00 15.00 O ATOM 342 OD2 ASP A 300 -0.232 -1.492 8.788 1.00 15.00 O1- ATOM 0 H ASP A 300 1.305 -1.116 5.379 1.00 15.00 H new ATOM 0 HA ASP A 300 0.957 1.655 6.307 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -1.014 0.852 6.852 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.540 -0.784 6.440 1.00 15.00 H new ATOM 347 N HIS A 301 2.690 1.657 8.007 1.00 15.00 N ATOM 348 CA HIS A 301 3.850 1.716 8.879 1.00 15.00 C ATOM 349 C HIS A 301 3.451 1.511 10.338 1.00 15.00 C ATOM 350 O HIS A 301 4.297 1.230 11.185 1.00 15.00 O ATOM 351 CB HIS A 301 4.586 3.062 8.758 1.00 15.00 C ATOM 352 CG HIS A 301 4.998 3.489 7.373 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.089 4.811 7.009 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.432 2.787 6.300 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.561 4.900 5.784 1.00 15.00 C ATOM 356 NE2 HIS A 301 5.789 3.682 5.327 1.00 15.00 N ATOM 0 H HIS A 301 2.319 2.568 7.737 1.00 15.00 H new ATOM 0 HA HIS A 301 4.517 0.914 8.562 1.00 15.00 H new ATOM 0 HB2 HIS A 301 3.945 3.838 9.176 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.480 3.017 9.380 1.00 15.00 H new ATOM 0 HD1 HIS A 301 4.830 5.602 7.598 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.487 1.711 6.225 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.734 5.818 5.242 1.00 15.00 H new ATOM 365 N ASN A 302 2.162 1.660 10.633 1.00 15.00 N ATOM 366 CA ASN A 302 1.695 1.639 12.019 1.00 15.00 C ATOM 367 C ASN A 302 1.309 0.233 12.456 1.00 15.00 C ATOM 368 O ASN A 302 1.810 -0.273 13.462 1.00 15.00 O ATOM 369 CB ASN A 302 0.505 2.591 12.212 1.00 15.00 C ATOM 370 CG ASN A 302 0.912 4.055 12.303 1.00 15.00 C ATOM 371 OD1 ASN A 302 0.253 4.853 12.969 1.00 15.00 O ATOM 372 ND2 ASN A 302 1.996 4.424 11.639 1.00 15.00 N ATOM 0 H ASN A 302 1.427 1.796 9.939 1.00 15.00 H new ATOM 0 HA ASN A 302 2.522 1.977 12.643 1.00 15.00 H new ATOM 0 HB2 ASN A 302 -0.190 2.465 11.382 1.00 15.00 H new ATOM 0 HB3 ASN A 302 -0.030 2.313 13.120 1.00 15.00 H new ATOM 0 HD21 ASN A 302 2.307 5.395 11.670 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.520 3.738 11.096 1.00 15.00 H new ATOM 379 N ASN A 303 0.419 -0.395 11.704 1.00 15.00 N ATOM 380 CA ASN A 303 -0.045 -1.738 12.027 1.00 15.00 C ATOM 381 C ASN A 303 0.902 -2.778 11.430 1.00 15.00 C ATOM 382 O ASN A 303 0.851 -3.959 11.783 1.00 15.00 O ATOM 383 CB ASN A 303 -1.487 -1.938 11.529 1.00 15.00 C ATOM 384 CG ASN A 303 -2.057 -3.304 11.870 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.582 -3.517 12.963 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.991 -4.226 10.926 1.00 15.00 N ATOM 0 H ASN A 303 0.002 0.004 10.863 1.00 15.00 H new ATOM 0 HA ASN A 303 -0.046 -1.866 13.109 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -2.124 -1.168 11.963 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.513 -1.801 10.448 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -2.383 -5.153 11.090 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.548 -4.011 10.033 1.00 15.00 H new ATOM 393 N ARG A 304 1.748 -2.317 10.505 1.00 15.00 N ATOM 394 CA ARG A 304 2.790 -3.139 9.891 1.00 15.00 C ATOM 395 C ARG A 304 2.168 -4.169 8.951 1.00 15.00 C ATOM 396 O ARG A 304 2.435 -5.369 9.059 1.00 15.00 O ATOM 397 CB ARG A 304 3.623 -3.842 10.969 1.00 15.00 C ATOM 398 CG ARG A 304 4.991 -4.304 10.500 1.00 15.00 C ATOM 399 CD ARG A 304 6.076 -3.347 10.960 1.00 15.00 C ATOM 400 NE ARG A 304 7.410 -3.930 10.851 1.00 15.00 N ATOM 401 CZ ARG A 304 8.424 -3.606 11.648 1.00 15.00 C ATOM 402 NH1 ARG A 304 8.276 -2.654 12.564 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 9.589 -4.222 11.518 1.00 15.00 N ATOM 0 H ARG A 304 1.728 -1.357 10.160 1.00 15.00 H new ATOM 0 HA ARG A 304 3.447 -2.489 9.313 1.00 15.00 H new ATOM 0 HB2 ARG A 304 3.751 -3.163 11.812 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.067 -4.705 11.336 1.00 15.00 H new ATOM 0 HG2 ARG A 304 5.194 -5.303 10.887 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.001 -4.376 9.412 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.030 -2.435 10.364 1.00 15.00 H new ATOM 0 HD3 ARG A 304 5.890 -3.061 11.995 1.00 15.00 H new ATOM 0 HE ARG A 304 7.573 -4.625 10.123 1.00 15.00 H new ATOM 0 HH11 ARG A 304 7.383 -2.170 12.657 1.00 15.00 H new ATOM 0 HH12 ARG A 304 9.055 -2.408 13.174 1.00 15.00 H new ATOM 0 HH21 ARG A 304 9.708 -4.944 10.807 1.00 15.00 H new ATOM 0 HH22 ARG A 304 10.368 -3.975 12.129 1.00 15.00 H new ATOM 417 N THR A 305 1.346 -3.705 8.022 1.00 15.00 N ATOM 418 CA THR A 305 0.659 -4.619 7.109 1.00 15.00 C ATOM 419 C THR A 305 0.664 -4.130 5.663 1.00 15.00 C ATOM 420 O THR A 305 0.712 -2.928 5.394 1.00 15.00 O ATOM 421 CB THR A 305 -0.791 -4.907 7.554 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.331 -3.807 8.300 1.00 15.00 O ATOM 423 CG2 THR A 305 -0.853 -6.176 8.389 1.00 15.00 C ATOM 0 H THR A 305 1.137 -2.717 7.877 1.00 15.00 H new ATOM 0 HA THR A 305 1.230 -5.547 7.152 1.00 15.00 H new ATOM 0 HB THR A 305 -1.392 -5.044 6.655 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.869 -2.981 8.046 1.00 15.00 H new ATOM 0 HG21 THR A 305 -1.883 -6.362 8.693 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.491 -7.018 7.799 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.229 -6.059 9.275 1.00 15.00 H new ATOM 431 N THR A 306 0.646 -5.087 4.739 1.00 15.00 N ATOM 432 CA THR A 306 0.650 -4.795 3.315 1.00 15.00 C ATOM 433 C THR A 306 -0.653 -5.277 2.659 1.00 15.00 C ATOM 434 O THR A 306 -1.204 -6.309 3.050 1.00 15.00 O ATOM 435 CB THR A 306 1.877 -5.444 2.637 1.00 15.00 C ATOM 436 OG1 THR A 306 1.949 -6.843 2.957 1.00 15.00 O ATOM 437 CG2 THR A 306 3.160 -4.763 3.091 1.00 15.00 C ATOM 0 H THR A 306 0.628 -6.083 4.959 1.00 15.00 H new ATOM 0 HA THR A 306 0.715 -3.715 3.184 1.00 15.00 H new ATOM 0 HB THR A 306 1.766 -5.325 1.559 1.00 15.00 H new ATOM 0 HG1 THR A 306 2.861 -7.167 2.803 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.014 -5.233 2.603 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.126 -3.707 2.823 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.261 -4.860 4.172 1.00 15.00 H new ATOM 445 N GLN A 307 -1.152 -4.524 1.673 1.00 15.00 N ATOM 446 CA GLN A 307 -2.484 -4.803 1.101 1.00 15.00 C ATOM 447 C GLN A 307 -2.586 -4.395 -0.379 1.00 15.00 C ATOM 448 O GLN A 307 -2.436 -3.231 -0.712 1.00 15.00 O ATOM 449 CB GLN A 307 -3.543 -4.054 1.919 1.00 15.00 C ATOM 450 CG GLN A 307 -4.976 -4.317 1.480 1.00 15.00 C ATOM 451 CD GLN A 307 -6.002 -3.946 2.533 1.00 15.00 C ATOM 452 OE1 GLN A 307 -5.771 -4.103 3.732 1.00 15.00 O ATOM 453 NE2 GLN A 307 -7.133 -3.417 2.093 1.00 15.00 N ATOM 0 H GLN A 307 -0.668 -3.729 1.257 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.650 -5.879 1.148 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.440 -4.333 2.968 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -3.346 -2.984 1.853 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -5.179 -3.753 0.570 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -5.085 -5.373 1.232 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -7.287 -3.303 1.091 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -7.850 -3.123 2.756 1.00 15.00 H new ATOM 462 N PHE A 308 -2.876 -5.353 -1.260 1.00 15.00 N ATOM 463 CA PHE A 308 -2.978 -5.067 -2.699 1.00 15.00 C ATOM 464 C PHE A 308 -4.257 -4.324 -3.095 1.00 15.00 C ATOM 465 O PHE A 308 -4.349 -3.813 -4.210 1.00 15.00 O ATOM 466 CB PHE A 308 -2.849 -6.336 -3.547 1.00 15.00 C ATOM 467 CG PHE A 308 -1.439 -6.654 -3.953 1.00 15.00 C ATOM 468 CD1 PHE A 308 -0.599 -5.639 -4.386 1.00 15.00 C ATOM 469 CD2 PHE A 308 -0.958 -7.952 -3.939 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.692 -5.911 -4.792 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.331 -8.225 -4.338 1.00 15.00 C ATOM 472 CZ PHE A 308 1.156 -7.205 -4.767 1.00 15.00 C ATOM 0 H PHE A 308 -3.044 -6.327 -1.009 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.137 -4.404 -2.904 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.254 -7.179 -2.987 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.459 -6.226 -4.444 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.960 -4.621 -4.406 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.599 -8.757 -3.612 1.00 15.00 H new ATOM 0 HE1 PHE A 308 1.335 -5.111 -5.128 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.698 -9.241 -4.315 1.00 15.00 H new ATOM 0 HZ PHE A 308 2.165 -7.423 -5.083 1.00 15.00 H new ATOM 482 N THR A 309 -5.249 -4.279 -2.226 1.00 15.00 N ATOM 483 CA THR A 309 -6.475 -3.563 -2.553 1.00 15.00 C ATOM 484 C THR A 309 -6.557 -2.244 -1.785 1.00 15.00 C ATOM 485 O THR A 309 -6.376 -2.206 -0.564 1.00 15.00 O ATOM 486 CB THR A 309 -7.737 -4.425 -2.293 1.00 15.00 C ATOM 487 OG1 THR A 309 -8.916 -3.708 -2.680 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.850 -4.834 -0.832 1.00 15.00 C ATOM 0 H THR A 309 -5.236 -4.719 -1.306 1.00 15.00 H new ATOM 0 HA THR A 309 -6.444 -3.343 -3.620 1.00 15.00 H new ATOM 0 HB THR A 309 -7.642 -5.330 -2.893 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.706 -4.263 -2.513 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.747 -5.437 -0.691 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.973 -5.416 -0.548 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.910 -3.942 -0.208 1.00 15.00 H new ATOM 496 N ASP A 310 -6.798 -1.157 -2.513 1.00 15.00 N ATOM 497 CA ASP A 310 -6.933 0.158 -1.897 1.00 15.00 C ATOM 498 C ASP A 310 -8.402 0.472 -1.662 1.00 15.00 C ATOM 499 O ASP A 310 -9.224 0.397 -2.576 1.00 15.00 O ATOM 500 CB ASP A 310 -6.247 1.245 -2.753 1.00 15.00 C ATOM 501 CG ASP A 310 -6.463 2.659 -2.227 1.00 15.00 C ATOM 502 OD1 ASP A 310 -7.600 3.159 -2.309 1.00 15.00 O ATOM 503 OD2 ASP A 310 -5.489 3.286 -1.754 1.00 15.00 O1- ATOM 0 H ASP A 310 -6.903 -1.161 -3.528 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.428 0.148 -0.931 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.177 1.041 -2.796 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -6.624 1.184 -3.774 1.00 15.00 H new ATOM 508 N PRO A 311 -8.738 0.839 -0.418 1.00 15.00 N ATOM 509 CA PRO A 311 -10.123 1.017 0.021 1.00 15.00 C ATOM 510 C PRO A 311 -10.775 2.290 -0.522 1.00 15.00 C ATOM 511 O PRO A 311 -11.995 2.436 -0.470 1.00 15.00 O ATOM 512 CB PRO A 311 -9.990 1.080 1.546 1.00 15.00 C ATOM 513 CG PRO A 311 -8.643 1.668 1.768 1.00 15.00 C ATOM 514 CD PRO A 311 -7.778 1.120 0.668 1.00 15.00 C ATOM 0 HA PRO A 311 -10.769 0.217 -0.341 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.772 1.696 1.989 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.072 0.090 1.995 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.680 2.757 1.733 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.252 1.394 2.748 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -7.020 1.839 0.358 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.252 0.218 0.982 1.00 15.00 H new ATOM 522 N ARG A 312 -9.971 3.205 -1.038 1.00 15.00 N ATOM 523 CA ARG A 312 -10.474 4.498 -1.480 1.00 15.00 C ATOM 524 C ARG A 312 -11.180 4.375 -2.819 1.00 15.00 C ATOM 525 O ARG A 312 -12.240 4.973 -3.028 1.00 15.00 O ATOM 526 CB ARG A 312 -9.332 5.505 -1.586 1.00 15.00 C ATOM 527 CG ARG A 312 -8.587 5.714 -0.281 1.00 15.00 C ATOM 528 CD ARG A 312 -7.108 5.951 -0.530 1.00 15.00 C ATOM 529 NE ARG A 312 -6.875 7.062 -1.448 1.00 15.00 N ATOM 530 CZ ARG A 312 -5.967 7.041 -2.421 1.00 15.00 C ATOM 531 NH1 ARG A 312 -5.269 5.935 -2.663 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -5.786 8.118 -3.173 1.00 15.00 N ATOM 0 H ARG A 312 -8.967 3.078 -1.162 1.00 15.00 H new ATOM 0 HA ARG A 312 -11.192 4.851 -0.740 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -8.629 5.166 -2.347 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -9.731 6.461 -1.924 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -9.011 6.566 0.251 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -8.716 4.841 0.359 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -6.610 6.154 0.418 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.660 5.045 -0.938 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.441 7.903 -1.337 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.429 5.098 -2.102 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -4.574 5.924 -3.410 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -6.341 8.957 -3.004 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -5.092 8.108 -3.920 1.00 15.00 H new ATOM 546 N LEU A 313 -10.591 3.603 -3.724 1.00 15.00 N ATOM 547 CA LEU A 313 -11.168 3.403 -5.047 1.00 15.00 C ATOM 548 C LEU A 313 -12.505 2.684 -4.944 1.00 15.00 C ATOM 549 O LEU A 313 -12.516 1.471 -4.659 1.00 15.00 O ATOM 550 CB LEU A 313 -10.224 2.623 -5.973 1.00 15.00 C ATOM 551 CG LEU A 313 -8.975 3.380 -6.435 1.00 15.00 C ATOM 552 CD1 LEU A 313 -7.833 3.213 -5.446 1.00 15.00 C ATOM 553 CD2 LEU A 313 -8.553 2.912 -7.820 1.00 15.00 C ATOM 0 H LEU A 313 -9.715 3.106 -3.566 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.323 4.390 -5.483 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -9.907 1.716 -5.459 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -10.784 2.311 -6.854 1.00 15.00 H new ATOM 0 HG LEU A 313 -9.223 4.440 -6.484 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -6.961 3.762 -5.801 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.134 3.601 -4.473 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -7.584 2.156 -5.353 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -7.664 3.459 -8.134 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -8.331 1.845 -7.792 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -9.361 3.096 -8.528 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 -0.316 -9.941 -9.551 1.00 15.00 N ATOM 567 CA ASP B 221 0.938 -9.534 -8.879 1.00 15.00 C ATOM 568 C ASP B 221 1.168 -10.380 -7.636 1.00 15.00 C ATOM 569 O ASP B 221 0.266 -10.549 -6.814 1.00 15.00 O ATOM 570 CB ASP B 221 0.911 -8.038 -8.531 1.00 15.00 C ATOM 571 CG ASP B 221 1.268 -7.183 -9.723 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.467 -6.901 -9.910 1.00 15.00 O ATOM 573 OD2 ASP B 221 0.360 -6.802 -10.487 1.00 15.00 O1- ATOM 0 HA ASP B 221 1.769 -9.700 -9.565 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.081 -7.766 -8.171 1.00 15.00 H new ATOM 0 HB3 ASP B 221 1.610 -7.840 -7.718 1.00 15.00 H new ATOM 578 N THR B 222 2.382 -10.910 -7.514 1.00 15.00 N ATOM 579 CA THR B 222 2.742 -11.805 -6.420 1.00 15.00 C ATOM 580 C THR B 222 2.512 -11.160 -5.058 1.00 15.00 C ATOM 581 O THR B 222 2.532 -9.938 -4.943 1.00 15.00 O ATOM 582 CB THR B 222 4.214 -12.252 -6.537 1.00 15.00 C ATOM 583 OG1 THR B 222 5.061 -11.109 -6.717 1.00 15.00 O ATOM 584 CG2 THR B 222 4.397 -13.214 -7.700 1.00 15.00 C ATOM 0 H THR B 222 3.142 -10.731 -8.170 1.00 15.00 H new ATOM 0 HA THR B 222 2.093 -12.677 -6.499 1.00 15.00 H new ATOM 0 HB THR B 222 4.489 -12.766 -5.616 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.994 -11.401 -6.789 1.00 15.00 H new ATOM 0 HG21 THR B 222 5.443 -13.515 -7.762 1.00 15.00 H new ATOM 0 HG22 THR B 222 3.774 -14.095 -7.545 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.105 -12.723 -8.628 1.00 15.00 H new ATOM 592 N PRO B 223 2.347 -11.989 -4.004 1.00 15.00 N ATOM 593 CA PRO B 223 1.930 -11.536 -2.672 1.00 15.00 C ATOM 594 C PRO B 223 2.736 -10.338 -2.176 1.00 15.00 C ATOM 595 O PRO B 223 3.949 -10.259 -2.397 1.00 15.00 O ATOM 596 CB PRO B 223 2.183 -12.758 -1.770 1.00 15.00 C ATOM 597 CG PRO B 223 2.925 -13.742 -2.614 1.00 15.00 C ATOM 598 CD PRO B 223 2.544 -13.442 -4.030 1.00 15.00 C ATOM 0 HA PRO B 223 0.893 -11.199 -2.675 1.00 15.00 H new ATOM 0 HB2 PRO B 223 2.764 -12.481 -0.891 1.00 15.00 H new ATOM 0 HB3 PRO B 223 1.244 -13.180 -1.412 1.00 15.00 H new ATOM 0 HG2 PRO B 223 4.001 -13.645 -2.471 1.00 15.00 H new ATOM 0 HG3 PRO B 223 2.658 -14.765 -2.347 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.326 -13.733 -4.731 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.637 -13.969 -4.327 1.00 15.00 H new ATOM 606 N PRO B 224 2.064 -9.413 -1.461 1.00 15.00 N ATOM 607 CA PRO B 224 2.612 -8.094 -1.130 1.00 15.00 C ATOM 608 C PRO B 224 3.976 -8.149 -0.450 1.00 15.00 C ATOM 609 O PRO B 224 4.187 -8.903 0.505 1.00 15.00 O ATOM 610 CB PRO B 224 1.566 -7.474 -0.193 1.00 15.00 C ATOM 611 CG PRO B 224 0.675 -8.594 0.221 1.00 15.00 C ATOM 612 CD PRO B 224 0.719 -9.599 -0.892 1.00 15.00 C ATOM 0 HA PRO B 224 2.787 -7.514 -2.036 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.041 -7.013 0.673 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.001 -6.692 -0.701 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.015 -9.036 1.158 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.343 -8.241 0.386 1.00 15.00 H new ATOM 0 HD2 PRO B 224 0.575 -10.615 -0.523 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.060 -9.415 -1.632 1.00 15.00 H new ATOM 620 N PRO B 225 4.917 -7.339 -0.959 1.00 15.00 N ATOM 621 CA PRO B 225 6.281 -7.220 -0.418 1.00 15.00 C ATOM 622 C PRO B 225 6.307 -6.673 1.007 1.00 15.00 C ATOM 623 O PRO B 225 5.264 -6.378 1.590 1.00 15.00 O ATOM 624 CB PRO B 225 6.949 -6.205 -1.356 1.00 15.00 C ATOM 625 CG PRO B 225 6.115 -6.193 -2.587 1.00 15.00 C ATOM 626 CD PRO B 225 4.719 -6.474 -2.131 1.00 15.00 C ATOM 0 HA PRO B 225 6.772 -8.192 -0.371 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.989 -5.216 -0.899 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.976 -6.494 -1.580 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.176 -5.229 -3.092 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.454 -6.947 -3.297 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.188 -5.558 -1.871 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.135 -6.972 -2.905 1.00 15.00 H new ATOM 634 N ALA B 226 7.511 -6.538 1.560 1.00 15.00 N ATOM 635 CA ALA B 226 7.693 -5.850 2.831 1.00 15.00 C ATOM 636 C ALA B 226 7.301 -4.387 2.669 1.00 15.00 C ATOM 637 O ALA B 226 7.265 -3.874 1.548 1.00 15.00 O ATOM 638 CB ALA B 226 9.134 -5.968 3.302 1.00 15.00 C ATOM 0 H ALA B 226 8.372 -6.896 1.147 1.00 15.00 H new ATOM 0 HA ALA B 226 7.056 -6.313 3.585 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.250 -5.448 4.253 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.390 -7.020 3.430 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.797 -5.521 2.561 1.00 15.00 H new ATOM 644 N TYR B 227 7.012 -3.707 3.766 1.00 15.00 N ATOM 645 CA TYR B 227 6.489 -2.358 3.666 1.00 15.00 C ATOM 646 C TYR B 227 7.607 -1.313 3.680 1.00 15.00 C ATOM 647 O TYR B 227 8.542 -1.361 4.486 1.00 15.00 O ATOM 648 CB TYR B 227 5.467 -2.070 4.769 1.00 15.00 C ATOM 649 CG TYR B 227 6.079 -1.580 6.062 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.636 -2.457 6.982 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.122 -0.227 6.343 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.219 -1.990 8.145 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.696 0.250 7.497 1.00 15.00 C ATOM 654 CZ TYR B 227 7.246 -0.633 8.400 1.00 15.00 C ATOM 655 OH TYR B 227 7.834 -0.163 9.552 1.00 15.00 O ATOM 0 H TYR B 227 7.128 -4.059 4.716 1.00 15.00 H new ATOM 0 HA TYR B 227 5.979 -2.287 2.705 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.759 -1.324 4.408 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.898 -2.978 4.969 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.614 -3.519 6.787 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.694 0.472 5.639 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.652 -2.683 8.851 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.716 1.312 7.695 1.00 15.00 H new ATOM 0 HH TYR B 227 7.769 0.814 9.577 1.00 15.00 H new ATOM 665 N LEU B 228 7.481 -0.375 2.768 1.00 15.00 N ATOM 666 CA LEU B 228 8.378 0.762 2.637 1.00 15.00 C ATOM 667 C LEU B 228 7.535 2.023 2.558 1.00 15.00 C ATOM 668 O LEU B 228 6.366 1.942 2.244 1.00 15.00 O ATOM 669 CB LEU B 228 9.270 0.647 1.386 1.00 15.00 C ATOM 670 CG LEU B 228 10.327 -0.467 1.399 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.715 -1.813 1.049 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.458 -0.133 0.438 1.00 15.00 C ATOM 0 H LEU B 228 6.732 -0.378 2.075 1.00 15.00 H new ATOM 0 HA LEU B 228 9.041 0.791 3.502 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.626 0.496 0.520 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.780 1.600 1.242 1.00 15.00 H new ATOM 0 HG LEU B 228 10.730 -0.536 2.409 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.489 -2.580 1.067 1.00 15.00 H new ATOM 0 HD12 LEU B 228 8.941 -2.061 1.776 1.00 15.00 H new ATOM 0 HD13 LEU B 228 9.275 -1.765 0.053 1.00 15.00 H new ATOM 0 HD21 LEU B 228 12.200 -0.931 0.458 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.060 -0.032 -0.572 1.00 15.00 H new ATOM 0 HD23 LEU B 228 11.926 0.805 0.738 1.00 15.00 H new ATOM 684 N PRO B 229 8.086 3.207 2.812 1.00 15.00 N ATOM 685 CA PRO B 229 7.293 4.427 2.753 1.00 15.00 C ATOM 686 C PRO B 229 7.285 4.984 1.334 1.00 15.00 C ATOM 687 O PRO B 229 8.230 4.780 0.575 1.00 15.00 O ATOM 688 CB PRO B 229 8.049 5.389 3.687 1.00 15.00 C ATOM 689 CG PRO B 229 9.169 4.597 4.283 1.00 15.00 C ATOM 690 CD PRO B 229 9.417 3.445 3.353 1.00 15.00 C ATOM 0 HA PRO B 229 6.253 4.273 3.039 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.430 6.248 3.135 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.390 5.776 4.464 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.064 5.210 4.389 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.906 4.242 5.279 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.136 3.696 2.574 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.807 2.573 3.877 1.00 15.00 H new ATOM 698 N PRO B 230 6.223 5.726 0.970 1.00 15.00 N ATOM 699 CA PRO B 230 5.700 5.712 -0.394 1.00 15.00 C ATOM 700 C PRO B 230 6.306 6.730 -1.353 1.00 15.00 C ATOM 701 O PRO B 230 6.592 7.876 -0.996 1.00 15.00 O ATOM 702 CB PRO B 230 4.233 6.043 -0.144 1.00 15.00 C ATOM 703 CG PRO B 230 4.249 7.006 0.992 1.00 15.00 C ATOM 704 CD PRO B 230 5.440 6.641 1.840 1.00 15.00 C ATOM 0 HA PRO B 230 5.919 4.766 -0.889 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.770 6.482 -1.028 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.662 5.148 0.104 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.328 8.031 0.631 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.327 6.942 1.569 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.019 7.522 2.119 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.138 6.152 2.766 1.00 15.00 H new ATOM 712 N GLU B 231 6.472 6.273 -2.592 1.00 15.00 N ATOM 713 CA GLU B 231 6.944 7.103 -3.682 1.00 15.00 C ATOM 714 C GLU B 231 5.893 7.124 -4.801 1.00 15.00 C ATOM 715 O GLU B 231 5.381 6.070 -5.181 1.00 15.00 O ATOM 716 CB GLU B 231 8.269 6.561 -4.241 1.00 15.00 C ATOM 717 CG GLU B 231 8.158 5.199 -4.924 1.00 15.00 C ATOM 718 CD GLU B 231 9.475 4.724 -5.504 1.00 15.00 C ATOM 719 OE1 GLU B 231 10.396 4.411 -4.719 1.00 15.00 O ATOM 720 OE2 GLU B 231 9.591 4.637 -6.744 1.00 15.00 O1- ATOM 0 H GLU B 231 6.280 5.309 -2.863 1.00 15.00 H new ATOM 0 HA GLU B 231 7.108 8.113 -3.305 1.00 15.00 H new ATOM 0 HB2 GLU B 231 8.669 7.280 -4.956 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.989 6.487 -3.426 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.798 4.465 -4.204 1.00 15.00 H new ATOM 0 HG3 GLU B 231 7.415 5.256 -5.720 1.00 15.00 H new ATOM 727 N ASP B 232 5.548 8.300 -5.310 1.00 15.00 N ATOM 728 CA ASP B 232 4.728 8.387 -6.508 1.00 15.00 C ATOM 729 C ASP B 232 5.081 9.655 -7.266 1.00 15.00 C ATOM 730 O ASP B 232 4.730 10.759 -6.845 1.00 15.00 O ATOM 731 CB ASP B 232 3.233 8.346 -6.176 1.00 15.00 C ATOM 732 CG ASP B 232 2.369 8.316 -7.426 1.00 15.00 C ATOM 733 OD1 ASP B 232 2.226 7.228 -8.027 1.00 15.00 O1- ATOM 734 OD2 ASP B 232 1.830 9.376 -7.819 1.00 15.00 O ATOM 0 H ASP B 232 5.822 9.200 -4.914 1.00 15.00 H new ATOM 0 HA ASP B 232 4.936 7.520 -7.135 1.00 15.00 H new ATOM 0 HB2 ASP B 232 3.021 7.466 -5.569 1.00 15.00 H new ATOM 0 HB3 ASP B 232 2.971 9.218 -5.576 1.00 15.00 H new ATOM 739 N PRO B 233 5.845 9.510 -8.360 1.00 15.00 N ATOM 740 CA PRO B 233 6.303 10.645 -9.167 1.00 15.00 C ATOM 741 C PRO B 233 5.159 11.342 -9.894 1.00 15.00 C ATOM 742 O PRO B 233 4.767 10.948 -10.992 1.00 15.00 O ATOM 743 CB PRO B 233 7.276 10.009 -10.165 1.00 15.00 C ATOM 744 CG PRO B 233 6.878 8.575 -10.239 1.00 15.00 C ATOM 745 CD PRO B 233 6.331 8.221 -8.887 1.00 15.00 C ATOM 0 HA PRO B 233 6.758 11.423 -8.553 1.00 15.00 H new ATOM 0 HB2 PRO B 233 7.207 10.488 -11.142 1.00 15.00 H new ATOM 0 HB3 PRO B 233 8.308 10.114 -9.831 1.00 15.00 H new ATOM 0 HG2 PRO B 233 6.129 8.419 -11.015 1.00 15.00 H new ATOM 0 HG3 PRO B 233 7.732 7.946 -10.490 1.00 15.00 H new ATOM 0 HD2 PRO B 233 5.527 7.489 -8.959 1.00 15.00 H new ATOM 0 HD3 PRO B 233 7.098 7.789 -8.245 1.00 15.00 H new HETATM 753 N NH2 B 234 4.613 12.374 -9.272 1.00 15.00 N TER 756 NH2 B 234