USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=12 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 16 ASN :FLIP amide:sc= -0.618 F(o=-6.2!,f=-0.62) USER MOD Set 1.2: A 17 MET CE :methyl -117:sc=-0.00137 (180deg=0) USER MOD Set 2.1: A 3 ASN :FLIP amide:sc= -1.57 F(o=-2.4!,f=-1.1) USER MOD Set 2.2: A 4 SER OG : rot -66:sc= 0.438 USER MOD Single : A 7 ASN : amide:sc= -4.78! C(o=-4.8!,f=-13!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 12 SER OG : rot 15:sc= -0.171 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -162:sc= -0.0408 (180deg=-0.805) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 27 LYS NZ :NH3+ 161:sc=-0.000356 (180deg=-0.157) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N ASN A 3 -38.127 -1.883 -4.719 1.00 1.00 N ATOM 25 CA ASN A 3 -38.900 -2.286 -5.902 1.00 1.00 C ATOM 26 C ASN A 3 -38.485 -1.491 -7.143 1.00 1.00 C ATOM 27 O ASN A 3 -38.539 -0.263 -7.165 1.00 1.00 O ATOM 28 CB ASN A 3 -40.410 -2.135 -5.650 1.00 1.00 C ATOM 29 CG ASN A 3 -40.787 -0.676 -5.412 1.00 1.00 C ATOM 30 OD1 ASN A 3 -40.779 0.168 -6.408 1.00 1.00 O flip ATOM 31 ND2 ASN A 3 -41.095 -0.294 -4.283 1.00 1.00 N flip ATOM 0 HA ASN A 3 -38.682 -3.338 -6.089 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -40.964 -2.522 -6.505 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -40.699 -2.733 -4.786 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -41.101 -0.954 -3.505 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -41.344 0.682 -4.125 1.00 1.00 H new ATOM 38 N SER A 4 -38.068 -2.205 -8.182 1.00 1.00 N ATOM 39 CA SER A 4 -37.646 -1.545 -9.416 1.00 1.00 C ATOM 40 C SER A 4 -36.431 -0.659 -9.159 1.00 1.00 C ATOM 41 O SER A 4 -36.354 0.464 -9.656 1.00 1.00 O ATOM 42 CB SER A 4 -38.793 -0.688 -9.960 1.00 1.00 C ATOM 43 OG SER A 4 -38.702 0.622 -9.415 1.00 1.00 O ATOM 0 H SER A 4 -38.012 -3.223 -8.198 1.00 1.00 H new ATOM 0 HA SER A 4 -37.378 -2.309 -10.146 1.00 1.00 H new ATOM 0 HB2 SER A 4 -38.746 -0.645 -11.048 1.00 1.00 H new ATOM 0 HB3 SER A 4 -39.752 -1.136 -9.700 1.00 1.00 H new ATOM 0 HG SER A 4 -38.861 0.586 -8.449 1.00 1.00 H new ATOM 49 N ARG A 5 -35.489 -1.170 -8.374 1.00 1.00 N ATOM 50 CA ARG A 5 -34.284 -0.407 -8.050 1.00 1.00 C ATOM 51 C ARG A 5 -33.592 0.090 -9.325 1.00 1.00 C ATOM 52 O ARG A 5 -33.194 1.252 -9.402 1.00 1.00 O ATOM 53 CB ARG A 5 -33.306 -1.273 -7.247 1.00 1.00 C ATOM 54 CG ARG A 5 -33.870 -1.533 -5.846 1.00 1.00 C ATOM 55 CD ARG A 5 -32.890 -2.406 -5.061 1.00 1.00 C ATOM 56 NE ARG A 5 -33.434 -2.725 -3.747 1.00 1.00 N ATOM 57 CZ ARG A 5 -33.474 -1.819 -2.777 1.00 1.00 C ATOM 58 NH1 ARG A 5 -33.957 -2.137 -1.606 1.00 1.00 N ATOM 59 NH2 ARG A 5 -33.035 -0.610 -2.995 1.00 1.00 N ATOM 0 H ARG A 5 -35.532 -2.098 -7.953 1.00 1.00 H new ATOM 0 HA ARG A 5 -34.583 0.454 -7.452 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -33.137 -2.219 -7.762 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -32.340 -0.773 -7.173 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -34.031 -0.589 -5.325 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -34.839 -2.027 -5.917 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -32.690 -3.325 -5.612 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -31.938 -1.887 -4.951 1.00 1.00 H new ATOM 0 HE ARG A 5 -33.791 -3.664 -3.569 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -34.303 -3.081 -1.437 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -33.988 -1.441 -0.861 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -32.661 -0.361 -3.911 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -33.066 0.086 -2.250 1.00 1.00 H new ATOM 73 N ARG A 6 -33.456 -0.783 -10.326 1.00 1.00 N ATOM 74 CA ARG A 6 -32.823 -0.395 -11.582 1.00 1.00 C ATOM 75 C ARG A 6 -31.402 0.112 -11.342 1.00 1.00 C ATOM 76 O ARG A 6 -31.187 1.307 -11.156 1.00 1.00 O ATOM 77 CB ARG A 6 -33.660 0.690 -12.264 1.00 1.00 C ATOM 78 CG ARG A 6 -33.192 0.880 -13.708 1.00 1.00 C ATOM 79 CD ARG A 6 -34.148 1.833 -14.431 1.00 1.00 C ATOM 80 NE ARG A 6 -35.454 1.193 -14.612 1.00 1.00 N ATOM 81 CZ ARG A 6 -36.585 1.899 -14.617 1.00 1.00 C ATOM 82 NH1 ARG A 6 -37.732 1.292 -14.761 1.00 1.00 N ATOM 83 NH2 ARG A 6 -36.551 3.198 -14.488 1.00 1.00 N ATOM 0 H ARG A 6 -33.773 -1.752 -10.290 1.00 1.00 H new ATOM 0 HA ARG A 6 -32.766 -1.271 -12.229 1.00 1.00 H new ATOM 0 HB2 ARG A 6 -34.714 0.412 -12.248 1.00 1.00 H new ATOM 0 HB3 ARG A 6 -33.570 1.628 -11.717 1.00 1.00 H new ATOM 0 HG2 ARG A 6 -32.179 1.282 -13.724 1.00 1.00 H new ATOM 0 HG3 ARG A 6 -33.161 -0.081 -14.222 1.00 1.00 H new ATOM 0 HD2 ARG A 6 -34.261 2.752 -13.857 1.00 1.00 H new ATOM 0 HD3 ARG A 6 -33.733 2.111 -15.400 1.00 1.00 H new ATOM 0 HE ARG A 6 -35.499 0.182 -14.737 1.00 1.00 H new ATOM 0 HH11 ARG A 6 -37.762 0.278 -14.870 1.00 1.00 H new ATOM 0 HH12 ARG A 6 -38.598 1.832 -14.765 1.00 1.00 H new ATOM 0 HH21 ARG A 6 -35.657 3.677 -14.383 1.00 1.00 H new ATOM 0 HH22 ARG A 6 -37.419 3.734 -14.492 1.00 1.00 H new ATOM 97 N ASN A 7 -30.448 -0.818 -11.348 1.00 1.00 N ATOM 98 CA ASN A 7 -29.034 -0.488 -11.127 1.00 1.00 C ATOM 99 C ASN A 7 -28.844 0.244 -9.795 1.00 1.00 C ATOM 100 O ASN A 7 -29.521 1.232 -9.517 1.00 1.00 O ATOM 101 CB ASN A 7 -28.489 0.364 -12.290 1.00 1.00 C ATOM 102 CG ASN A 7 -28.832 1.850 -12.090 1.00 1.00 C ATOM 103 OD1 ASN A 7 -28.270 2.487 -11.200 1.00 1.00 O ATOM 104 ND2 ASN A 7 -29.721 2.450 -12.849 1.00 1.00 N ATOM 0 H ASN A 7 -30.626 -1.810 -11.504 1.00 1.00 H new ATOM 0 HA ASN A 7 -28.472 -1.421 -11.086 1.00 1.00 H new ATOM 0 HB2 ASN A 7 -27.408 0.242 -12.360 1.00 1.00 H new ATOM 0 HB3 ASN A 7 -28.911 0.013 -13.232 1.00 1.00 H new ATOM 0 HD21 ASN A 7 -29.939 3.435 -12.698 1.00 1.00 H new ATOM 0 HD22 ASN A 7 -30.193 1.931 -13.590 1.00 1.00 H new ATOM 111 N ARG A 8 -27.925 -0.251 -8.975 1.00 1.00 N ATOM 112 CA ARG A 8 -27.674 0.372 -7.672 1.00 1.00 C ATOM 113 C ARG A 8 -27.122 1.792 -7.841 1.00 1.00 C ATOM 114 O ARG A 8 -27.537 2.711 -7.133 1.00 1.00 O ATOM 115 CB ARG A 8 -26.700 -0.475 -6.823 1.00 1.00 C ATOM 116 CG ARG A 8 -26.891 -0.146 -5.329 1.00 1.00 C ATOM 117 CD ARG A 8 -28.094 -0.929 -4.749 1.00 1.00 C ATOM 118 NE ARG A 8 -27.622 -2.067 -3.965 1.00 1.00 N ATOM 119 CZ ARG A 8 -27.167 -1.907 -2.725 1.00 1.00 C ATOM 120 NH1 ARG A 8 -26.747 -2.938 -2.044 1.00 1.00 N ATOM 121 NH2 ARG A 8 -27.145 -0.719 -2.187 1.00 1.00 N ATOM 0 H ARG A 8 -27.348 -1.067 -9.179 1.00 1.00 H new ATOM 0 HA ARG A 8 -28.628 0.427 -7.148 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -26.879 -1.536 -6.997 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -25.671 -0.272 -7.121 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -25.986 -0.398 -4.777 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -27.053 0.925 -5.204 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -28.698 -0.272 -4.123 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -28.736 -1.276 -5.559 1.00 1.00 H new ATOM 0 HE ARG A 8 -27.641 -3.001 -4.375 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -26.767 -3.868 -2.462 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -26.398 -2.814 -1.093 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -27.477 0.087 -2.717 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -26.796 -0.596 -1.236 1.00 1.00 H new ATOM 135 N LEU A 9 -26.183 1.970 -8.775 1.00 1.00 N ATOM 136 CA LEU A 9 -25.595 3.293 -9.009 1.00 1.00 C ATOM 137 C LEU A 9 -24.959 3.370 -10.399 1.00 1.00 C ATOM 138 O LEU A 9 -23.900 3.963 -10.554 1.00 1.00 O ATOM 139 CB LEU A 9 -24.536 3.592 -7.920 1.00 1.00 C ATOM 140 CG LEU A 9 -24.500 5.093 -7.544 1.00 1.00 C ATOM 141 CD1 LEU A 9 -24.209 5.959 -8.777 1.00 1.00 C ATOM 142 CD2 LEU A 9 -25.834 5.526 -6.902 1.00 1.00 C ATOM 0 H LEU A 9 -25.818 1.228 -9.373 1.00 1.00 H new ATOM 0 HA LEU A 9 -26.387 4.040 -8.958 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -24.753 3.000 -7.031 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -23.553 3.284 -8.276 1.00 1.00 H new ATOM 0 HG LEU A 9 -23.698 5.236 -6.820 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -24.189 7.010 -8.487 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -23.243 5.680 -9.198 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -24.988 5.803 -9.523 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -25.788 6.584 -6.645 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -26.648 5.359 -7.607 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -26.010 4.941 -5.999 1.00 1.00 H new ATOM 154 N LEU A 10 -25.624 2.766 -11.388 1.00 1.00 N ATOM 155 CA LEU A 10 -25.146 2.750 -12.784 1.00 1.00 C ATOM 156 C LEU A 10 -23.627 2.888 -12.898 1.00 1.00 C ATOM 157 O LEU A 10 -23.051 3.939 -12.624 1.00 1.00 O ATOM 158 CB LEU A 10 -25.820 3.852 -13.614 1.00 1.00 C ATOM 159 CG LEU A 10 -25.766 5.224 -12.891 1.00 1.00 C ATOM 160 CD1 LEU A 10 -25.664 6.347 -13.929 1.00 1.00 C ATOM 161 CD2 LEU A 10 -27.041 5.448 -12.065 1.00 1.00 C ATOM 0 H LEU A 10 -26.507 2.274 -11.250 1.00 1.00 H new ATOM 0 HA LEU A 10 -25.421 1.772 -13.179 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -25.328 3.931 -14.583 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -26.858 3.581 -13.805 1.00 1.00 H new ATOM 0 HG LEU A 10 -24.897 5.230 -12.233 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -25.626 7.310 -13.420 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -24.759 6.214 -14.522 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -26.534 6.317 -14.584 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -26.985 6.415 -11.565 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -27.909 5.429 -12.724 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -27.135 4.659 -11.319 1.00 1.00 H new ATOM 173 N GLN A 11 -22.980 1.820 -13.334 1.00 1.00 N ATOM 174 CA GLN A 11 -21.533 1.857 -13.482 1.00 1.00 C ATOM 175 C GLN A 11 -20.900 1.978 -12.101 1.00 1.00 C ATOM 176 O GLN A 11 -21.398 2.697 -11.236 1.00 1.00 O ATOM 177 CB GLN A 11 -21.115 3.038 -14.413 1.00 1.00 C ATOM 178 CG GLN A 11 -20.240 4.075 -13.679 1.00 1.00 C ATOM 179 CD GLN A 11 -19.901 5.237 -14.603 1.00 1.00 C ATOM 180 OE1 GLN A 11 -19.751 5.051 -15.811 1.00 1.00 O ATOM 181 NE2 GLN A 11 -19.764 6.434 -14.100 1.00 1.00 N ATOM 0 H GLN A 11 -23.420 0.935 -13.587 1.00 1.00 H new ATOM 0 HA GLN A 11 -21.180 0.937 -13.949 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -20.569 2.646 -15.271 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -22.009 3.528 -14.800 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -20.765 4.444 -12.798 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -19.323 3.602 -13.328 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -19.889 6.584 -13.099 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -19.532 7.219 -14.708 1.00 1.00 H new ATOM 190 N SER A 12 -19.805 1.272 -11.917 1.00 1.00 N ATOM 191 CA SER A 12 -19.083 1.296 -10.646 1.00 1.00 C ATOM 192 C SER A 12 -20.011 1.017 -9.466 1.00 1.00 C ATOM 193 O SER A 12 -19.572 1.031 -8.325 1.00 1.00 O ATOM 194 CB SER A 12 -18.419 2.661 -10.453 1.00 1.00 C ATOM 195 OG SER A 12 -19.410 3.679 -10.515 1.00 1.00 O ATOM 0 H SER A 12 -19.388 0.671 -12.628 1.00 1.00 H new ATOM 0 HA SER A 12 -18.327 0.511 -10.679 1.00 1.00 H new ATOM 0 HB2 SER A 12 -17.905 2.696 -9.492 1.00 1.00 H new ATOM 0 HB3 SER A 12 -17.665 2.824 -11.223 1.00 1.00 H new ATOM 0 HG SER A 12 -20.299 3.277 -10.420 1.00 1.00 H new ATOM 201 N ASP A 13 -21.295 0.773 -9.738 1.00 1.00 N ATOM 202 CA ASP A 13 -22.262 0.499 -8.673 1.00 1.00 C ATOM 203 C ASP A 13 -21.986 1.355 -7.440 1.00 1.00 C ATOM 204 O ASP A 13 -21.297 2.371 -7.520 1.00 1.00 O ATOM 205 CB ASP A 13 -22.222 -0.983 -8.282 1.00 1.00 C ATOM 206 CG ASP A 13 -20.916 -1.316 -7.564 1.00 1.00 C ATOM 207 OD1 ASP A 13 -19.882 -1.299 -8.211 1.00 1.00 O ATOM 208 OD2 ASP A 13 -20.972 -1.595 -6.377 1.00 1.00 O ATOM 0 H ASP A 13 -21.687 0.760 -10.680 1.00 1.00 H new ATOM 0 HA ASP A 13 -23.252 0.748 -9.056 1.00 1.00 H new ATOM 0 HB2 ASP A 13 -23.068 -1.217 -7.636 1.00 1.00 H new ATOM 0 HB3 ASP A 13 -22.321 -1.602 -9.173 1.00 1.00 H new ATOM 213 N TYR A 14 -22.541 0.951 -6.303 1.00 1.00 N ATOM 214 CA TYR A 14 -22.352 1.696 -5.077 1.00 1.00 C ATOM 215 C TYR A 14 -20.922 1.588 -4.567 1.00 1.00 C ATOM 216 O TYR A 14 -20.545 2.324 -3.657 1.00 1.00 O ATOM 217 CB TYR A 14 -23.330 1.192 -4.006 1.00 1.00 C ATOM 218 CG TYR A 14 -23.279 2.099 -2.803 1.00 1.00 C ATOM 219 CD1 TYR A 14 -24.196 3.147 -2.683 1.00 1.00 C ATOM 220 CD2 TYR A 14 -22.311 1.896 -1.813 1.00 1.00 C ATOM 221 CE1 TYR A 14 -24.144 3.997 -1.569 1.00 1.00 C ATOM 222 CE2 TYR A 14 -22.259 2.743 -0.701 1.00 1.00 C ATOM 223 CZ TYR A 14 -23.175 3.796 -0.579 1.00 1.00 C ATOM 224 OH TYR A 14 -23.121 4.632 0.518 1.00 1.00 O ATOM 0 H TYR A 14 -23.121 0.117 -6.211 1.00 1.00 H new ATOM 0 HA TYR A 14 -22.550 2.747 -5.290 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -24.342 1.163 -4.409 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -23.073 0.173 -3.716 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -24.943 3.302 -3.447 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -21.604 1.085 -1.908 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -24.852 4.807 -1.475 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -21.513 2.585 0.064 1.00 1.00 H new ATOM 0 HH TYR A 14 -22.390 4.351 1.108 1.00 1.00 H new ATOM 234 N MET A 15 -20.135 0.681 -5.165 1.00 1.00 N ATOM 235 CA MET A 15 -18.730 0.465 -4.776 1.00 1.00 C ATOM 236 C MET A 15 -18.405 1.133 -3.442 1.00 1.00 C ATOM 237 O MET A 15 -17.805 2.207 -3.397 1.00 1.00 O ATOM 238 CB MET A 15 -17.799 0.994 -5.872 1.00 1.00 C ATOM 239 CG MET A 15 -16.326 0.760 -5.509 1.00 1.00 C ATOM 240 SD MET A 15 -16.010 -1.013 -5.280 1.00 1.00 S ATOM 241 CE MET A 15 -15.493 -0.943 -3.543 1.00 1.00 C ATOM 0 H MET A 15 -20.450 0.080 -5.926 1.00 1.00 H new ATOM 0 HA MET A 15 -18.577 -0.607 -4.654 1.00 1.00 H new ATOM 0 HB2 MET A 15 -18.027 0.499 -6.816 1.00 1.00 H new ATOM 0 HB3 MET A 15 -17.975 2.059 -6.020 1.00 1.00 H new ATOM 0 HG2 MET A 15 -15.683 1.153 -6.297 1.00 1.00 H new ATOM 0 HG3 MET A 15 -16.078 1.302 -4.596 1.00 1.00 H new ATOM 0 HE1 MET A 15 -14.954 -1.855 -3.287 1.00 1.00 H new ATOM 0 HE2 MET A 15 -14.842 -0.082 -3.392 1.00 1.00 H new ATOM 0 HE3 MET A 15 -16.372 -0.850 -2.905 1.00 1.00 H new ATOM 251 N ASN A 16 -18.851 0.501 -2.363 1.00 1.00 N ATOM 252 CA ASN A 16 -18.642 1.038 -1.012 1.00 1.00 C ATOM 253 C ASN A 16 -17.277 1.723 -0.905 1.00 1.00 C ATOM 254 O ASN A 16 -16.334 1.340 -1.590 1.00 1.00 O ATOM 255 CB ASN A 16 -18.743 -0.079 0.042 1.00 1.00 C ATOM 256 CG ASN A 16 -18.639 0.509 1.443 1.00 1.00 C ATOM 257 OD1 ASN A 16 -18.840 1.784 1.626 1.00 1.00 O flip ATOM 258 ND2 ASN A 16 -18.366 -0.217 2.399 1.00 1.00 N flip ATOM 0 H ASN A 16 -19.360 -0.383 -2.391 1.00 1.00 H new ATOM 0 HA ASN A 16 -19.423 1.774 -0.823 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -19.689 -0.609 -0.069 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -17.949 -0.809 -0.114 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -18.209 -1.214 2.254 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -18.297 0.179 3.337 1.00 1.00 H new ATOM 265 N MET A 17 -17.216 2.766 -0.078 1.00 1.00 N ATOM 266 CA MET A 17 -15.986 3.563 0.107 1.00 1.00 C ATOM 267 C MET A 17 -15.877 4.615 -1.000 1.00 1.00 C ATOM 268 O MET A 17 -15.973 5.813 -0.727 1.00 1.00 O ATOM 269 CB MET A 17 -14.696 2.698 0.133 1.00 1.00 C ATOM 270 CG MET A 17 -14.840 1.451 1.058 1.00 1.00 C ATOM 271 SD MET A 17 -14.777 -0.070 0.067 1.00 1.00 S ATOM 272 CE MET A 17 -15.286 -1.224 1.365 1.00 1.00 C ATOM 0 H MET A 17 -18.006 3.087 0.482 1.00 1.00 H new ATOM 0 HA MET A 17 -16.067 4.043 1.082 1.00 1.00 H new ATOM 0 HB2 MET A 17 -14.459 2.371 -0.880 1.00 1.00 H new ATOM 0 HB3 MET A 17 -13.859 3.307 0.475 1.00 1.00 H new ATOM 0 HG2 MET A 17 -14.042 1.444 1.800 1.00 1.00 H new ATOM 0 HG3 MET A 17 -15.782 1.500 1.604 1.00 1.00 H new ATOM 0 HE1 MET A 17 -14.478 -1.929 1.562 1.00 1.00 H new ATOM 0 HE2 MET A 17 -15.515 -0.670 2.275 1.00 1.00 H new ATOM 0 HE3 MET A 17 -16.172 -1.769 1.040 1.00 1.00 H new ATOM 282 N THR A 18 -15.695 4.173 -2.246 1.00 1.00 N ATOM 283 CA THR A 18 -15.593 5.111 -3.372 1.00 1.00 C ATOM 284 C THR A 18 -15.511 4.365 -4.717 1.00 1.00 C ATOM 285 O THR A 18 -14.936 3.280 -4.773 1.00 1.00 O ATOM 286 CB THR A 18 -14.337 5.993 -3.205 1.00 1.00 C ATOM 287 OG1 THR A 18 -14.496 7.182 -3.963 1.00 1.00 O ATOM 288 CG2 THR A 18 -13.078 5.247 -3.685 1.00 1.00 C ATOM 0 H THR A 18 -15.616 3.189 -2.501 1.00 1.00 H new ATOM 0 HA THR A 18 -16.489 5.731 -3.374 1.00 1.00 H new ATOM 0 HB THR A 18 -14.217 6.234 -2.149 1.00 1.00 H new ATOM 0 HG1 THR A 18 -13.701 7.746 -3.858 1.00 1.00 H new ATOM 0 HG21 THR A 18 -12.205 5.887 -3.558 1.00 1.00 H new ATOM 0 HG22 THR A 18 -12.949 4.337 -3.099 1.00 1.00 H new ATOM 0 HG23 THR A 18 -13.188 4.988 -4.738 1.00 1.00 H new ATOM 296 N PRO A 19 -16.007 4.922 -5.813 1.00 1.00 N ATOM 297 CA PRO A 19 -15.889 4.244 -7.138 1.00 1.00 C ATOM 298 C PRO A 19 -14.449 3.822 -7.393 1.00 1.00 C ATOM 299 O PRO A 19 -13.526 4.496 -6.937 1.00 1.00 O ATOM 300 CB PRO A 19 -16.340 5.306 -8.156 1.00 1.00 C ATOM 301 CG PRO A 19 -17.183 6.274 -7.383 1.00 1.00 C ATOM 302 CD PRO A 19 -16.719 6.212 -5.919 1.00 1.00 C ATOM 0 HA PRO A 19 -16.490 3.337 -7.199 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -15.483 5.806 -8.607 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -16.908 4.853 -8.969 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -17.072 7.283 -7.780 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -18.239 6.015 -7.463 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -16.064 7.048 -5.674 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -17.564 6.257 -5.232 1.00 1.00 H new ATOM 310 N ARG A 20 -14.278 2.695 -8.105 1.00 1.00 N ATOM 311 CA ARG A 20 -12.950 2.135 -8.421 1.00 1.00 C ATOM 312 C ARG A 20 -11.824 3.095 -8.056 1.00 1.00 C ATOM 313 O ARG A 20 -11.718 4.188 -8.612 1.00 1.00 O ATOM 314 CB ARG A 20 -12.875 1.784 -9.905 1.00 1.00 C ATOM 315 CG ARG A 20 -11.529 1.127 -10.208 1.00 1.00 C ATOM 316 CD ARG A 20 -11.527 0.670 -11.658 1.00 1.00 C ATOM 317 NE ARG A 20 -10.228 0.115 -12.019 1.00 1.00 N ATOM 318 CZ ARG A 20 -9.189 0.910 -12.247 1.00 1.00 C ATOM 319 NH1 ARG A 20 -8.038 0.401 -12.586 1.00 1.00 N ATOM 320 NH2 ARG A 20 -9.323 2.202 -12.130 1.00 1.00 N ATOM 0 H ARG A 20 -15.053 2.147 -8.477 1.00 1.00 H new ATOM 0 HA ARG A 20 -12.820 1.234 -7.822 1.00 1.00 H new ATOM 0 HB2 ARG A 20 -13.689 1.109 -10.171 1.00 1.00 H new ATOM 0 HB3 ARG A 20 -12.996 2.683 -10.509 1.00 1.00 H new ATOM 0 HG2 ARG A 20 -10.716 1.832 -10.032 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -11.364 0.279 -9.544 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -12.304 -0.080 -11.810 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -11.763 1.511 -12.310 1.00 1.00 H new ATOM 0 HE ARG A 20 -10.116 -0.896 -12.097 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -7.934 -0.610 -12.677 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -7.241 1.013 -12.761 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -10.224 2.599 -11.864 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -8.527 2.815 -12.304 1.00 1.00 H new ATOM 334 N ARG A 21 -11.011 2.680 -7.094 1.00 1.00 N ATOM 335 CA ARG A 21 -9.910 3.514 -6.620 1.00 1.00 C ATOM 336 C ARG A 21 -8.708 3.395 -7.561 1.00 1.00 C ATOM 337 O ARG A 21 -8.507 2.356 -8.186 1.00 1.00 O ATOM 338 CB ARG A 21 -9.508 3.108 -5.181 1.00 1.00 C ATOM 339 CG ARG A 21 -9.775 1.613 -4.947 1.00 1.00 C ATOM 340 CD ARG A 21 -9.011 0.764 -5.971 1.00 1.00 C ATOM 341 NE ARG A 21 -8.815 -0.588 -5.458 1.00 1.00 N ATOM 342 CZ ARG A 21 -8.005 -0.825 -4.431 1.00 1.00 C ATOM 343 NH1 ARG A 21 -7.854 -2.043 -3.988 1.00 1.00 N ATOM 344 NH2 ARG A 21 -7.357 0.159 -3.866 1.00 1.00 N ATOM 0 H ARG A 21 -11.090 1.776 -6.627 1.00 1.00 H new ATOM 0 HA ARG A 21 -10.241 4.552 -6.609 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -8.452 3.324 -5.018 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -10.070 3.701 -4.459 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -9.471 1.337 -3.937 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -10.844 1.412 -5.024 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -9.564 0.728 -6.910 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -8.046 1.222 -6.187 1.00 1.00 H new ATOM 0 HE ARG A 21 -9.309 -1.366 -5.896 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -8.357 -2.812 -4.430 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -7.233 -2.226 -3.200 1.00 1.00 H new ATOM 0 HH21 ARG A 21 -7.472 1.111 -4.213 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -6.736 -0.025 -3.078 1.00 1.00 H new ATOM 358 N PRO A 22 -7.899 4.423 -7.663 1.00 1.00 N ATOM 359 CA PRO A 22 -6.694 4.402 -8.538 1.00 1.00 C ATOM 360 C PRO A 22 -5.591 3.553 -7.915 1.00 1.00 C ATOM 361 O PRO A 22 -5.132 3.832 -6.809 1.00 1.00 O ATOM 362 CB PRO A 22 -6.290 5.876 -8.613 1.00 1.00 C ATOM 363 CG PRO A 22 -6.718 6.429 -7.299 1.00 1.00 C ATOM 364 CD PRO A 22 -8.029 5.716 -6.965 1.00 1.00 C ATOM 0 HA PRO A 22 -6.879 3.966 -9.520 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -5.216 5.989 -8.764 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -6.784 6.385 -9.441 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -5.965 6.246 -6.532 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -6.861 7.508 -7.355 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -8.152 5.582 -5.890 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -8.894 6.278 -7.317 1.00 1.00 H new ATOM 372 N GLY A 23 -5.183 2.512 -8.624 1.00 1.00 N ATOM 373 CA GLY A 23 -4.143 1.622 -8.113 1.00 1.00 C ATOM 374 C GLY A 23 -2.953 2.422 -7.604 1.00 1.00 C ATOM 375 O GLY A 23 -2.550 3.412 -8.214 1.00 1.00 O ATOM 0 H GLY A 23 -5.548 2.262 -9.543 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -4.546 1.008 -7.308 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -3.820 0.942 -8.901 1.00 1.00 H new ATOM 379 N LEU A 24 -2.398 1.990 -6.478 1.00 1.00 N ATOM 380 CA LEU A 24 -1.256 2.675 -5.887 1.00 1.00 C ATOM 381 C LEU A 24 -0.524 1.744 -4.924 1.00 1.00 C ATOM 382 O LEU A 24 -0.116 2.155 -3.837 1.00 1.00 O ATOM 383 CB LEU A 24 -1.734 3.924 -5.136 1.00 1.00 C ATOM 384 CG LEU A 24 -0.551 4.884 -4.867 1.00 1.00 C ATOM 385 CD1 LEU A 24 -0.383 5.863 -6.038 1.00 1.00 C ATOM 386 CD2 LEU A 24 -0.815 5.689 -3.587 1.00 1.00 C ATOM 0 H LEU A 24 -2.718 1.173 -5.958 1.00 1.00 H new ATOM 0 HA LEU A 24 -0.571 2.970 -6.682 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.499 4.436 -5.720 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -2.195 3.633 -4.192 1.00 1.00 H new ATOM 0 HG LEU A 24 0.356 4.290 -4.755 1.00 1.00 H new ATOM 0 HD11 LEU A 24 0.453 6.533 -5.835 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -0.187 5.305 -6.954 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -1.295 6.447 -6.157 1.00 1.00 H new ATOM 0 HD21 LEU A 24 0.021 6.363 -3.402 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -1.730 6.269 -3.704 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -0.924 5.007 -2.744 1.00 1.00 H new ATOM 398 N THR A 25 -0.361 0.486 -5.334 1.00 1.00 N ATOM 399 CA THR A 25 0.332 -0.510 -4.503 1.00 1.00 C ATOM 400 C THR A 25 1.743 -0.745 -5.029 1.00 1.00 C ATOM 401 O THR A 25 2.723 -0.352 -4.398 1.00 1.00 O ATOM 402 CB THR A 25 -0.444 -1.846 -4.490 1.00 1.00 C ATOM 403 OG1 THR A 25 -0.813 -2.192 -5.819 1.00 1.00 O ATOM 404 CG2 THR A 25 -1.712 -1.748 -3.620 1.00 1.00 C ATOM 0 H THR A 25 -0.695 0.130 -6.230 1.00 1.00 H new ATOM 0 HA THR A 25 0.386 -0.124 -3.485 1.00 1.00 H new ATOM 0 HB THR A 25 0.205 -2.612 -4.067 1.00 1.00 H new ATOM 0 HG1 THR A 25 -1.304 -3.040 -5.812 1.00 1.00 H new ATOM 0 HG21 THR A 25 -2.236 -2.704 -3.631 1.00 1.00 H new ATOM 0 HG22 THR A 25 -1.432 -1.500 -2.596 1.00 1.00 H new ATOM 0 HG23 THR A 25 -2.366 -0.971 -4.016 1.00 1.00 H new ATOM 412 N ARG A 26 1.842 -1.385 -6.189 1.00 1.00 N ATOM 413 CA ARG A 26 3.148 -1.662 -6.788 1.00 1.00 C ATOM 414 C ARG A 26 4.028 -0.414 -6.729 1.00 1.00 C ATOM 415 O ARG A 26 3.541 0.690 -6.491 1.00 1.00 O ATOM 416 CB ARG A 26 2.993 -2.145 -8.245 1.00 1.00 C ATOM 417 CG ARG A 26 1.874 -1.370 -8.959 1.00 1.00 C ATOM 418 CD ARG A 26 2.232 0.116 -9.056 1.00 1.00 C ATOM 419 NE ARG A 26 1.554 0.723 -10.197 1.00 1.00 N ATOM 420 CZ ARG A 26 1.328 2.030 -10.240 1.00 1.00 C ATOM 421 NH1 ARG A 26 0.731 2.557 -11.274 1.00 1.00 N ATOM 422 NH2 ARG A 26 1.708 2.784 -9.247 1.00 1.00 N ATOM 0 H ARG A 26 1.045 -1.720 -6.730 1.00 1.00 H new ATOM 0 HA ARG A 26 3.627 -2.458 -6.218 1.00 1.00 H new ATOM 0 HB2 ARG A 26 3.933 -2.011 -8.780 1.00 1.00 H new ATOM 0 HB3 ARG A 26 2.769 -3.212 -8.258 1.00 1.00 H new ATOM 0 HG2 ARG A 26 1.719 -1.779 -9.957 1.00 1.00 H new ATOM 0 HG3 ARG A 26 0.936 -1.490 -8.416 1.00 1.00 H new ATOM 0 HD2 ARG A 26 1.944 0.628 -8.138 1.00 1.00 H new ATOM 0 HD3 ARG A 26 3.311 0.232 -9.161 1.00 1.00 H new ATOM 0 HE ARG A 26 1.250 0.134 -10.972 1.00 1.00 H new ATOM 0 HH11 ARG A 26 0.437 1.964 -12.050 1.00 1.00 H new ATOM 0 HH12 ARG A 26 0.558 3.562 -11.306 1.00 1.00 H new ATOM 0 HH21 ARG A 26 2.177 2.369 -8.442 1.00 1.00 H new ATOM 0 HH22 ARG A 26 1.537 3.789 -9.275 1.00 1.00 H new ATOM 436 N LYS A 27 5.329 -0.600 -6.922 1.00 1.00 N ATOM 437 CA LYS A 27 6.261 0.528 -6.867 1.00 1.00 C ATOM 438 C LYS A 27 6.103 1.392 -8.145 1.00 1.00 C ATOM 439 O LYS A 27 6.361 0.901 -9.242 1.00 1.00 O ATOM 440 CB LYS A 27 7.723 -0.005 -6.723 1.00 1.00 C ATOM 441 CG LYS A 27 8.543 0.801 -5.664 1.00 1.00 C ATOM 442 CD LYS A 27 8.656 0.018 -4.331 1.00 1.00 C ATOM 443 CE LYS A 27 9.828 -0.966 -4.396 1.00 1.00 C ATOM 444 NZ LYS A 27 11.104 -0.218 -4.242 1.00 1.00 N ATOM 0 H LYS A 27 5.760 -1.504 -7.115 1.00 1.00 H new ATOM 0 HA LYS A 27 6.039 1.152 -6.001 1.00 1.00 H new ATOM 0 HB2 LYS A 27 7.698 -1.057 -6.437 1.00 1.00 H new ATOM 0 HB3 LYS A 27 8.225 0.051 -7.689 1.00 1.00 H new ATOM 0 HG2 LYS A 27 9.540 1.009 -6.053 1.00 1.00 H new ATOM 0 HG3 LYS A 27 8.064 1.763 -5.484 1.00 1.00 H new ATOM 0 HD2 LYS A 27 8.800 0.713 -3.503 1.00 1.00 H new ATOM 0 HD3 LYS A 27 7.729 -0.521 -4.137 1.00 1.00 H new ATOM 0 HE2 LYS A 27 9.734 -1.714 -3.609 1.00 1.00 H new ATOM 0 HE3 LYS A 27 9.818 -1.500 -5.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 11.861 -0.876 -3.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 11.352 0.235 -5.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 10.993 0.511 -3.508 1.00 1.00 H new ATOM 458 N PRO A 28 5.669 2.648 -8.039 1.00 1.00 N ATOM 459 CA PRO A 28 5.464 3.535 -9.233 1.00 1.00 C ATOM 460 C PRO A 28 6.591 3.448 -10.265 1.00 1.00 C ATOM 461 O PRO A 28 7.438 4.338 -10.335 1.00 1.00 O ATOM 462 CB PRO A 28 5.392 4.944 -8.625 1.00 1.00 C ATOM 463 CG PRO A 28 4.844 4.745 -7.252 1.00 1.00 C ATOM 464 CD PRO A 28 5.320 3.362 -6.788 1.00 1.00 C ATOM 0 HA PRO A 28 4.573 3.244 -9.790 1.00 1.00 H new ATOM 0 HB2 PRO A 28 6.376 5.411 -8.593 1.00 1.00 H new ATOM 0 HB3 PRO A 28 4.749 5.596 -9.216 1.00 1.00 H new ATOM 0 HG2 PRO A 28 5.198 5.524 -6.577 1.00 1.00 H new ATOM 0 HG3 PRO A 28 3.755 4.799 -7.257 1.00 1.00 H new ATOM 0 HD2 PRO A 28 6.180 3.441 -6.123 1.00 1.00 H new ATOM 0 HD3 PRO A 28 4.539 2.838 -6.237 1.00 1.00 H new ATOM 472 N TYR A 29 6.567 2.395 -11.090 1.00 1.00 N ATOM 473 CA TYR A 29 7.581 2.204 -12.146 1.00 1.00 C ATOM 474 C TYR A 29 8.991 2.489 -11.608 1.00 1.00 C ATOM 475 O TYR A 29 9.139 2.931 -10.472 1.00 1.00 O ATOM 476 CB TYR A 29 7.254 3.111 -13.362 1.00 1.00 C ATOM 477 CG TYR A 29 6.598 4.389 -12.895 1.00 1.00 C ATOM 478 CD1 TYR A 29 7.366 5.543 -12.693 1.00 1.00 C ATOM 479 CD2 TYR A 29 5.220 4.414 -12.639 1.00 1.00 C ATOM 480 CE1 TYR A 29 6.758 6.718 -12.239 1.00 1.00 C ATOM 481 CE2 TYR A 29 4.611 5.593 -12.188 1.00 1.00 C ATOM 482 CZ TYR A 29 5.380 6.745 -11.987 1.00 1.00 C ATOM 483 OH TYR A 29 4.783 7.904 -11.537 1.00 1.00 O ATOM 0 H TYR A 29 5.860 1.661 -11.051 1.00 1.00 H new ATOM 0 HA TYR A 29 7.557 1.164 -12.472 1.00 1.00 H new ATOM 0 HB2 TYR A 29 8.168 3.341 -13.910 1.00 1.00 H new ATOM 0 HB3 TYR A 29 6.593 2.585 -14.051 1.00 1.00 H new ATOM 0 HD1 TYR A 29 8.428 5.525 -12.888 1.00 1.00 H new ATOM 0 HD2 TYR A 29 4.627 3.524 -12.789 1.00 1.00 H new ATOM 0 HE1 TYR A 29 7.352 7.606 -12.082 1.00 1.00 H new ATOM 0 HE2 TYR A 29 3.548 5.613 -11.996 1.00 1.00 H new ATOM 0 HH TYR A 29 3.823 7.751 -11.414 1.00 1.00 H new ATOM 493 N GLN A 30 10.029 2.200 -12.420 1.00 1.00 N ATOM 494 CA GLN A 30 11.439 2.420 -12.004 1.00 1.00 C ATOM 495 C GLN A 30 11.584 2.375 -10.479 1.00 1.00 C ATOM 496 O GLN A 30 11.765 3.398 -9.829 1.00 1.00 O ATOM 497 CB GLN A 30 11.968 3.771 -12.550 1.00 1.00 C ATOM 498 CG GLN A 30 11.275 4.978 -11.856 1.00 1.00 C ATOM 499 CD GLN A 30 11.039 6.131 -12.838 1.00 1.00 C ATOM 500 OE1 GLN A 30 11.083 5.946 -14.055 1.00 1.00 O ATOM 501 NE2 GLN A 30 10.783 7.325 -12.374 1.00 1.00 N ATOM 0 H GLN A 30 9.924 1.817 -13.360 1.00 1.00 H new ATOM 0 HA GLN A 30 12.036 1.612 -12.427 1.00 1.00 H new ATOM 0 HB2 GLN A 30 13.045 3.830 -12.395 1.00 1.00 H new ATOM 0 HB3 GLN A 30 11.798 3.822 -13.625 1.00 1.00 H new ATOM 0 HG2 GLN A 30 10.323 4.658 -11.433 1.00 1.00 H new ATOM 0 HG3 GLN A 30 11.891 5.325 -11.027 1.00 1.00 H new ATOM 0 HE21 GLN A 30 10.745 7.484 -11.367 1.00 1.00 H new ATOM 0 HE22 GLN A 30 10.621 8.099 -13.019 1.00 1.00 H new ATOM 510 N PRO A 31 11.462 1.217 -9.897 1.00 1.00 N ATOM 511 CA PRO A 31 11.545 1.061 -8.416 1.00 1.00 C ATOM 512 C PRO A 31 12.839 1.619 -7.830 1.00 1.00 C ATOM 513 O PRO A 31 12.798 2.509 -6.987 1.00 1.00 O ATOM 514 CB PRO A 31 11.428 -0.460 -8.193 1.00 1.00 C ATOM 515 CG PRO A 31 10.795 -0.993 -9.443 1.00 1.00 C ATOM 516 CD PRO A 31 11.235 -0.064 -10.574 1.00 1.00 C ATOM 0 HA PRO A 31 10.762 1.625 -7.909 1.00 1.00 H new ATOM 0 HB2 PRO A 31 12.407 -0.910 -8.025 1.00 1.00 H new ATOM 0 HB3 PRO A 31 10.819 -0.684 -7.317 1.00 1.00 H new ATOM 0 HG2 PRO A 31 11.114 -2.017 -9.634 1.00 1.00 H new ATOM 0 HG3 PRO A 31 9.709 -1.009 -9.353 1.00 1.00 H new ATOM 0 HD2 PRO A 31 12.140 -0.426 -11.062 1.00 1.00 H new ATOM 0 HD3 PRO A 31 10.469 0.020 -11.345 1.00 1.00 H new ATOM 524 N TYR A 32 13.970 1.091 -8.289 1.00 1.00 N ATOM 525 CA TYR A 32 15.294 1.528 -7.808 1.00 1.00 C ATOM 526 C TYR A 32 15.266 1.811 -6.289 1.00 1.00 C ATOM 527 O TYR A 32 14.691 2.793 -5.825 1.00 1.00 O ATOM 528 CB TYR A 32 15.772 2.763 -8.625 1.00 1.00 C ATOM 529 CG TYR A 32 15.523 4.054 -7.876 1.00 1.00 C ATOM 530 CD1 TYR A 32 14.309 4.731 -8.029 1.00 1.00 C ATOM 531 CD2 TYR A 32 16.504 4.561 -7.016 1.00 1.00 C ATOM 532 CE1 TYR A 32 14.074 5.914 -7.324 1.00 1.00 C ATOM 533 CE2 TYR A 32 16.271 5.747 -6.312 1.00 1.00 C ATOM 534 CZ TYR A 32 15.056 6.424 -6.466 1.00 1.00 C ATOM 535 OH TYR A 32 14.824 7.594 -5.768 1.00 1.00 O ATOM 0 H TYR A 32 14.005 0.357 -8.996 1.00 1.00 H new ATOM 0 HA TYR A 32 16.013 0.724 -7.964 1.00 1.00 H new ATOM 0 HB2 TYR A 32 16.836 2.667 -8.843 1.00 1.00 H new ATOM 0 HB3 TYR A 32 15.252 2.791 -9.582 1.00 1.00 H new ATOM 0 HD1 TYR A 32 13.553 4.339 -8.693 1.00 1.00 H new ATOM 0 HD2 TYR A 32 17.441 4.037 -6.896 1.00 1.00 H new ATOM 0 HE1 TYR A 32 13.135 6.435 -7.441 1.00 1.00 H new ATOM 0 HE2 TYR A 32 17.028 6.140 -5.650 1.00 1.00 H new ATOM 0 HH TYR A 32 15.606 7.807 -5.218 1.00 1.00 H new ATOM 545 N ALA A 33 15.898 0.941 -5.509 1.00 1.00 N ATOM 546 CA ALA A 33 15.922 1.126 -4.060 1.00 1.00 C ATOM 547 C ALA A 33 17.156 0.467 -3.454 1.00 1.00 C ATOM 548 O ALA A 33 17.042 -0.535 -2.748 1.00 1.00 O ATOM 549 CB ALA A 33 14.665 0.513 -3.439 1.00 1.00 C ATOM 0 H ALA A 33 16.392 0.115 -5.846 1.00 1.00 H new ATOM 0 HA ALA A 33 15.954 2.195 -3.850 1.00 1.00 H new ATOM 0 HB1 ALA A 33 14.687 0.653 -2.358 1.00 1.00 H new ATOM 0 HB2 ALA A 33 13.781 1.001 -3.850 1.00 1.00 H new ATOM 0 HB3 ALA A 33 14.630 -0.553 -3.666 1.00 1.00 H new ATOM 555 N PRO A 34 18.326 1.001 -3.706 1.00 1.00 N ATOM 556 CA PRO A 34 19.581 0.424 -3.152 1.00 1.00 C ATOM 557 C PRO A 34 19.505 0.301 -1.638 1.00 1.00 C ATOM 558 O PRO A 34 19.661 1.285 -0.913 1.00 1.00 O ATOM 559 CB PRO A 34 20.674 1.417 -3.590 1.00 1.00 C ATOM 560 CG PRO A 34 20.094 2.139 -4.768 1.00 1.00 C ATOM 561 CD PRO A 34 18.583 2.194 -4.530 1.00 1.00 C ATOM 0 HA PRO A 34 19.776 -0.586 -3.512 1.00 1.00 H new ATOM 0 HB2 PRO A 34 20.923 2.110 -2.786 1.00 1.00 H new ATOM 0 HB3 PRO A 34 21.594 0.898 -3.859 1.00 1.00 H new ATOM 0 HG2 PRO A 34 20.512 3.142 -4.855 1.00 1.00 H new ATOM 0 HG3 PRO A 34 20.324 1.617 -5.697 1.00 1.00 H new ATOM 0 HD2 PRO A 34 18.290 3.109 -4.015 1.00 1.00 H new ATOM 0 HD3 PRO A 34 18.027 2.163 -5.467 1.00 1.00 H new ATOM 569 N ALA A 35 19.271 -0.920 -1.167 1.00 1.00 N ATOM 570 CA ALA A 35 19.183 -1.189 0.272 1.00 1.00 C ATOM 571 C ALA A 35 20.302 -2.136 0.684 1.00 1.00 C ATOM 572 O ALA A 35 21.203 -1.729 1.415 1.00 1.00 O ATOM 573 CB ALA A 35 17.812 -1.782 0.646 1.00 1.00 C ATOM 0 H ALA A 35 19.138 -1.741 -1.757 1.00 1.00 H new ATOM 0 HA ALA A 35 19.292 -0.246 0.808 1.00 1.00 H new ATOM 0 HB1 ALA A 35 17.778 -1.971 1.719 1.00 1.00 H new ATOM 0 HB2 ALA A 35 17.025 -1.078 0.376 1.00 1.00 H new ATOM 0 HB3 ALA A 35 17.662 -2.718 0.108 1.00 1.00 H new ATOM 579 N ARG A 36 20.233 -3.391 0.191 1.00 1.00 N ATOM 580 CA ARG A 36 21.244 -4.436 0.476 1.00 1.00 C ATOM 581 C ARG A 36 22.223 -4.012 1.565 1.00 1.00 C ATOM 582 O ARG A 36 23.434 -4.016 1.347 1.00 1.00 O ATOM 583 CB ARG A 36 22.028 -4.811 -0.804 1.00 1.00 C ATOM 584 CG ARG A 36 22.418 -3.563 -1.638 1.00 1.00 C ATOM 585 CD ARG A 36 23.687 -2.897 -1.084 1.00 1.00 C ATOM 586 NE ARG A 36 23.338 -2.032 0.038 1.00 1.00 N ATOM 587 CZ ARG A 36 24.062 -0.959 0.348 1.00 1.00 C ATOM 588 NH1 ARG A 36 23.718 -0.221 1.367 1.00 1.00 N ATOM 589 NH2 ARG A 36 25.106 -0.640 -0.368 1.00 1.00 N ATOM 0 H ARG A 36 19.477 -3.710 -0.415 1.00 1.00 H new ATOM 0 HA ARG A 36 20.696 -5.307 0.835 1.00 1.00 H new ATOM 0 HB2 ARG A 36 22.930 -5.358 -0.529 1.00 1.00 H new ATOM 0 HB3 ARG A 36 21.423 -5.480 -1.416 1.00 1.00 H new ATOM 0 HG2 ARG A 36 22.580 -3.853 -2.676 1.00 1.00 H new ATOM 0 HG3 ARG A 36 21.596 -2.847 -1.631 1.00 1.00 H new ATOM 0 HD2 ARG A 36 24.398 -3.658 -0.762 1.00 1.00 H new ATOM 0 HD3 ARG A 36 24.175 -2.315 -1.866 1.00 1.00 H new ATOM 0 HE ARG A 36 22.517 -2.256 0.600 1.00 1.00 H new ATOM 0 HH11 ARG A 36 22.898 -0.467 1.921 1.00 1.00 H new ATOM 0 HH12 ARG A 36 24.269 0.602 1.609 1.00 1.00 H new ATOM 0 HH21 ARG A 36 25.370 -1.214 -1.169 1.00 1.00 H new ATOM 0 HH22 ARG A 36 25.658 0.183 -0.127 1.00 1.00 H new ATOM 603 N ASP A 37 21.666 -3.645 2.732 1.00 1.00 N ATOM 604 CA ASP A 37 22.452 -3.185 3.895 1.00 1.00 C ATOM 605 C ASP A 37 23.928 -3.028 3.555 1.00 1.00 C ATOM 606 O ASP A 37 24.361 -1.984 3.063 1.00 1.00 O ATOM 607 CB ASP A 37 22.288 -4.165 5.059 1.00 1.00 C ATOM 608 CG ASP A 37 23.112 -3.687 6.250 1.00 1.00 C ATOM 609 OD1 ASP A 37 22.808 -2.624 6.764 1.00 1.00 O ATOM 610 OD2 ASP A 37 24.031 -4.391 6.633 1.00 1.00 O ATOM 0 H ASP A 37 20.660 -3.658 2.898 1.00 1.00 H new ATOM 0 HA ASP A 37 22.071 -2.205 4.184 1.00 1.00 H new ATOM 0 HB2 ASP A 37 21.237 -4.241 5.338 1.00 1.00 H new ATOM 0 HB3 ASP A 37 22.611 -5.161 4.757 1.00 1.00 H new ATOM 615 N PHE A 38 24.677 -4.084 3.786 1.00 1.00 N ATOM 616 CA PHE A 38 26.096 -4.089 3.471 1.00 1.00 C ATOM 617 C PHE A 38 26.645 -5.502 3.631 1.00 1.00 C ATOM 618 O PHE A 38 27.802 -5.776 3.325 1.00 1.00 O ATOM 619 CB PHE A 38 26.854 -3.079 4.370 1.00 1.00 C ATOM 620 CG PHE A 38 27.467 -1.968 3.530 1.00 1.00 C ATOM 621 CD1 PHE A 38 26.844 -0.714 3.459 1.00 1.00 C ATOM 622 CD2 PHE A 38 28.647 -2.205 2.811 1.00 1.00 C ATOM 623 CE1 PHE A 38 27.401 0.299 2.670 1.00 1.00 C ATOM 624 CE2 PHE A 38 29.203 -1.190 2.023 1.00 1.00 C ATOM 625 CZ PHE A 38 28.578 0.061 1.952 1.00 1.00 C ATOM 0 H PHE A 38 24.330 -4.953 4.191 1.00 1.00 H new ATOM 0 HA PHE A 38 26.242 -3.777 2.437 1.00 1.00 H new ATOM 0 HB2 PHE A 38 26.170 -2.652 5.103 1.00 1.00 H new ATOM 0 HB3 PHE A 38 27.636 -3.595 4.926 1.00 1.00 H new ATOM 0 HD1 PHE A 38 25.935 -0.530 4.013 1.00 1.00 H new ATOM 0 HD2 PHE A 38 29.127 -3.171 2.865 1.00 1.00 H new ATOM 0 HE1 PHE A 38 26.922 1.265 2.615 1.00 1.00 H new ATOM 0 HE2 PHE A 38 30.113 -1.372 1.470 1.00 1.00 H new ATOM 0 HZ PHE A 38 29.005 0.843 1.342 1.00 1.00 H new ATOM 635 N ALA A 39 25.788 -6.392 4.102 1.00 1.00 N ATOM 636 CA ALA A 39 26.172 -7.789 4.288 1.00 1.00 C ATOM 637 C ALA A 39 27.424 -7.913 5.155 1.00 1.00 C ATOM 638 O ALA A 39 28.351 -8.646 4.809 1.00 1.00 O ATOM 639 CB ALA A 39 26.433 -8.437 2.928 1.00 1.00 C ATOM 0 H ALA A 39 24.825 -6.178 4.363 1.00 1.00 H new ATOM 0 HA ALA A 39 25.352 -8.298 4.795 1.00 1.00 H new ATOM 0 HB1 ALA A 39 26.719 -9.479 3.070 1.00 1.00 H new ATOM 0 HB2 ALA A 39 25.528 -8.389 2.322 1.00 1.00 H new ATOM 0 HB3 ALA A 39 27.238 -7.906 2.420 1.00 1.00 H new ATOM 645 N ALA A 40 27.438 -7.197 6.276 1.00 1.00 N ATOM 646 CA ALA A 40 28.579 -7.227 7.202 1.00 1.00 C ATOM 647 C ALA A 40 29.638 -6.214 6.783 1.00 1.00 C ATOM 648 O ALA A 40 30.811 -6.551 6.634 1.00 1.00 O ATOM 649 CB ALA A 40 29.193 -8.636 7.274 1.00 1.00 C ATOM 0 H ALA A 40 26.675 -6.587 6.570 1.00 1.00 H new ATOM 0 HA ALA A 40 28.212 -6.960 8.193 1.00 1.00 H new ATOM 0 HB1 ALA A 40 30.035 -8.631 7.966 1.00 1.00 H new ATOM 0 HB2 ALA A 40 28.441 -9.343 7.623 1.00 1.00 H new ATOM 0 HB3 ALA A 40 29.539 -8.933 6.284 1.00 1.00 H new