USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 539 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 Single : A 1 GLY N :NH3+ -136:sc= 0.0151 (180deg=0) USER MOD Single : A 2 SER OG : rot 61:sc= 0.437 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.141 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 74:sc= 1.16 USER MOD Single : A 12 THR OG1 : rot -115:sc= 0.0978 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.19! C(o=-4.2!,f=-5!) USER MOD Single : A 23 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.038) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0173 F(o=-1.2,f=-0.017) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= 0.786 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.062 K(o=-0.062,f=-0.7) USER MOD Single : A 41 SER OG : rot -55:sc= 1.05 USER MOD Single : A 42 ASN : amide:sc= 0.968 K(o=0.97,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00249 USER MOD Single : A 56 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.1!) USER MOD Single : A 57 ASN : amide:sc= 0.411 X(o=0.41,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.139 K(o=-0.14,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0141) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0282) USER MOD Single : A 65 SER OG : rot -170:sc= -0.0113 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.571 -18.798 -15.972 1.00 0.00 N ATOM 2 CA GLY A 1 9.907 -17.782 -14.992 1.00 0.00 C ATOM 3 C GLY A 1 9.760 -16.377 -15.541 1.00 0.00 C ATOM 4 O GLY A 1 8.860 -16.104 -16.336 1.00 0.00 O ATOM 0 H1 GLY A 1 8.984 -19.531 -15.525 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.044 -18.363 -16.756 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.444 -19.229 -16.338 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.264 -17.897 -14.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.933 -17.932 -14.655 1.00 0.00 H new ATOM 8 N SER A 2 10.645 -15.481 -15.115 1.00 0.00 N ATOM 9 CA SER A 2 10.606 -14.095 -15.565 1.00 0.00 C ATOM 10 C SER A 2 11.250 -13.951 -16.941 1.00 0.00 C ATOM 11 O SER A 2 12.054 -13.049 -17.171 1.00 0.00 O ATOM 12 CB SER A 2 11.321 -13.190 -14.559 1.00 0.00 C ATOM 13 OG SER A 2 12.724 -13.380 -14.609 1.00 0.00 O ATOM 0 H SER A 2 11.397 -15.690 -14.459 1.00 0.00 H new ATOM 0 HA SER A 2 9.561 -13.793 -15.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.084 -12.147 -14.771 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.958 -13.401 -13.553 1.00 0.00 H new ATOM 0 HG SER A 2 13.054 -13.150 -15.503 1.00 0.00 H new ATOM 19 N SER A 3 10.889 -14.849 -17.852 1.00 0.00 N ATOM 20 CA SER A 3 11.433 -14.827 -19.205 1.00 0.00 C ATOM 21 C SER A 3 10.320 -14.656 -20.235 1.00 0.00 C ATOM 22 O SER A 3 9.194 -15.107 -20.029 1.00 0.00 O ATOM 23 CB SER A 3 12.210 -16.114 -19.486 1.00 0.00 C ATOM 24 OG SER A 3 13.127 -15.934 -20.551 1.00 0.00 O ATOM 0 H SER A 3 10.222 -15.601 -17.678 1.00 0.00 H new ATOM 0 HA SER A 3 12.111 -13.977 -19.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.746 -16.422 -18.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.514 -16.916 -19.733 1.00 0.00 H new ATOM 0 HG SER A 3 13.612 -16.770 -20.710 1.00 0.00 H new ATOM 30 N GLY A 4 10.645 -14.000 -21.344 1.00 0.00 N ATOM 31 CA GLY A 4 9.664 -13.780 -22.391 1.00 0.00 C ATOM 32 C GLY A 4 9.758 -12.391 -22.991 1.00 0.00 C ATOM 33 O GLY A 4 9.799 -12.237 -24.212 1.00 0.00 O ATOM 0 H GLY A 4 11.570 -13.617 -21.537 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.803 -14.522 -23.177 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.664 -13.930 -21.985 1.00 0.00 H new ATOM 37 N SER A 5 9.791 -11.377 -22.132 1.00 0.00 N ATOM 38 CA SER A 5 9.875 -9.994 -22.585 1.00 0.00 C ATOM 39 C SER A 5 8.999 -9.770 -23.814 1.00 0.00 C ATOM 40 O SER A 5 9.403 -9.100 -24.764 1.00 0.00 O ATOM 41 CB SER A 5 11.326 -9.627 -22.905 1.00 0.00 C ATOM 42 OG SER A 5 11.847 -10.455 -23.930 1.00 0.00 O ATOM 0 H SER A 5 9.761 -11.488 -21.118 1.00 0.00 H new ATOM 0 HA SER A 5 9.514 -9.352 -21.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.381 -8.583 -23.213 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.936 -9.727 -22.007 1.00 0.00 H new ATOM 0 HG SER A 5 12.774 -10.200 -24.117 1.00 0.00 H new ATOM 48 N SER A 6 7.798 -10.338 -23.788 1.00 0.00 N ATOM 49 CA SER A 6 6.865 -10.205 -24.900 1.00 0.00 C ATOM 50 C SER A 6 5.550 -9.586 -24.436 1.00 0.00 C ATOM 51 O SER A 6 4.946 -10.040 -23.466 1.00 0.00 O ATOM 52 CB SER A 6 6.602 -11.570 -25.539 1.00 0.00 C ATOM 53 OG SER A 6 6.086 -11.428 -26.851 1.00 0.00 O ATOM 0 H SER A 6 7.448 -10.895 -23.008 1.00 0.00 H new ATOM 0 HA SER A 6 7.315 -9.545 -25.642 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.527 -12.145 -25.569 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.897 -12.132 -24.926 1.00 0.00 H new ATOM 0 HG SER A 6 5.928 -12.314 -27.238 1.00 0.00 H new ATOM 59 N GLY A 7 5.113 -8.544 -25.138 1.00 0.00 N ATOM 60 CA GLY A 7 3.873 -7.879 -24.783 1.00 0.00 C ATOM 61 C GLY A 7 4.100 -6.488 -24.224 1.00 0.00 C ATOM 62 O GLY A 7 3.689 -6.188 -23.104 1.00 0.00 O ATOM 0 H GLY A 7 5.595 -8.149 -25.945 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.234 -7.813 -25.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.340 -8.480 -24.047 1.00 0.00 H new ATOM 66 N ARG A 8 4.759 -5.639 -25.006 1.00 0.00 N ATOM 67 CA ARG A 8 5.043 -4.273 -24.581 1.00 0.00 C ATOM 68 C ARG A 8 3.828 -3.653 -23.897 1.00 0.00 C ATOM 69 O ARG A 8 3.960 -2.942 -22.901 1.00 0.00 O ATOM 70 CB ARG A 8 5.457 -3.419 -25.781 1.00 0.00 C ATOM 71 CG ARG A 8 4.399 -3.344 -26.869 1.00 0.00 C ATOM 72 CD ARG A 8 4.685 -2.214 -27.847 1.00 0.00 C ATOM 73 NE ARG A 8 4.022 -2.420 -29.131 1.00 0.00 N ATOM 74 CZ ARG A 8 4.481 -3.236 -30.073 1.00 0.00 C ATOM 75 NH1 ARG A 8 5.601 -3.919 -29.875 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.821 -3.371 -31.216 1.00 0.00 N ATOM 0 H ARG A 8 5.106 -5.872 -25.936 1.00 0.00 H new ATOM 0 HA ARG A 8 5.865 -4.305 -23.865 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.684 -2.410 -25.437 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.375 -3.825 -26.206 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.361 -4.291 -27.407 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.419 -3.195 -26.416 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.354 -1.269 -27.416 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.761 -2.134 -28.003 1.00 0.00 H new ATOM 0 HE ARG A 8 3.159 -1.909 -29.315 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.112 -3.818 -28.998 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.951 -4.545 -30.600 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.960 -2.848 -31.372 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.175 -3.998 -31.938 1.00 0.00 H new ATOM 90 N SER A 9 2.646 -3.926 -24.440 1.00 0.00 N ATOM 91 CA SER A 9 1.408 -3.392 -23.884 1.00 0.00 C ATOM 92 C SER A 9 0.941 -4.226 -22.695 1.00 0.00 C ATOM 93 O SER A 9 0.084 -5.099 -22.833 1.00 0.00 O ATOM 94 CB SER A 9 0.317 -3.356 -24.956 1.00 0.00 C ATOM 95 OG SER A 9 -0.679 -2.400 -24.638 1.00 0.00 O ATOM 0 H SER A 9 2.519 -4.514 -25.264 1.00 0.00 H new ATOM 0 HA SER A 9 1.602 -2.377 -23.539 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.760 -3.116 -25.922 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.138 -4.342 -25.050 1.00 0.00 H new ATOM 0 HG SER A 9 -1.364 -2.395 -25.339 1.00 0.00 H new ATOM 101 N SER A 10 1.511 -3.950 -21.527 1.00 0.00 N ATOM 102 CA SER A 10 1.157 -4.677 -20.313 1.00 0.00 C ATOM 103 C SER A 10 0.651 -3.722 -19.236 1.00 0.00 C ATOM 104 O SER A 10 1.418 -3.256 -18.394 1.00 0.00 O ATOM 105 CB SER A 10 2.365 -5.458 -19.791 1.00 0.00 C ATOM 106 OG SER A 10 2.617 -6.601 -20.590 1.00 0.00 O ATOM 0 H SER A 10 2.220 -3.228 -21.395 1.00 0.00 H new ATOM 0 HA SER A 10 0.358 -5.377 -20.558 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.244 -4.813 -19.785 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.187 -5.763 -18.760 1.00 0.00 H new ATOM 0 HG SER A 10 3.007 -6.323 -21.445 1.00 0.00 H new ATOM 112 N ARG A 11 -0.646 -3.435 -19.272 1.00 0.00 N ATOM 113 CA ARG A 11 -1.256 -2.535 -18.300 1.00 0.00 C ATOM 114 C ARG A 11 -2.259 -3.280 -17.424 1.00 0.00 C ATOM 115 O ARG A 11 -3.203 -3.892 -17.923 1.00 0.00 O ATOM 116 CB ARG A 11 -1.951 -1.375 -19.015 1.00 0.00 C ATOM 117 CG ARG A 11 -2.860 -1.815 -20.151 1.00 0.00 C ATOM 118 CD ARG A 11 -2.093 -1.956 -21.456 1.00 0.00 C ATOM 119 NE ARG A 11 -1.854 -0.663 -22.092 1.00 0.00 N ATOM 120 CZ ARG A 11 -2.742 -0.048 -22.865 1.00 0.00 C ATOM 121 NH1 ARG A 11 -3.922 -0.606 -23.097 1.00 0.00 N ATOM 122 NH2 ARG A 11 -2.450 1.127 -23.408 1.00 0.00 N ATOM 0 H ARG A 11 -1.294 -3.812 -19.963 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.466 -2.139 -17.662 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.538 -0.812 -18.289 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.194 -0.697 -19.409 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.326 -2.767 -19.897 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.664 -1.090 -20.277 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.139 -2.448 -21.265 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.652 -2.598 -22.137 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.955 -0.207 -21.934 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.149 -1.509 -22.682 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.602 -0.132 -23.691 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.543 1.559 -23.232 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.133 1.598 -24.001 1.00 0.00 H new ATOM 136 N THR A 12 -2.046 -3.224 -16.112 1.00 0.00 N ATOM 137 CA THR A 12 -2.929 -3.894 -15.166 1.00 0.00 C ATOM 138 C THR A 12 -3.442 -2.922 -14.110 1.00 0.00 C ATOM 139 O THR A 12 -2.666 -2.371 -13.330 1.00 0.00 O ATOM 140 CB THR A 12 -2.215 -5.066 -14.465 1.00 0.00 C ATOM 141 OG1 THR A 12 -3.116 -5.719 -13.564 1.00 0.00 O ATOM 142 CG2 THR A 12 -0.993 -4.577 -13.702 1.00 0.00 C ATOM 0 H THR A 12 -1.270 -2.722 -15.681 1.00 0.00 H new ATOM 0 HA THR A 12 -3.771 -4.281 -15.739 1.00 0.00 H new ATOM 0 HB THR A 12 -1.888 -5.773 -15.228 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.800 -5.603 -12.644 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.506 -5.422 -13.216 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.296 -4.106 -14.395 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.301 -3.852 -12.948 1.00 0.00 H new ATOM 150 N ARG A 13 -4.755 -2.717 -14.091 1.00 0.00 N ATOM 151 CA ARG A 13 -5.373 -1.810 -13.130 1.00 0.00 C ATOM 152 C ARG A 13 -5.882 -2.574 -11.911 1.00 0.00 C ATOM 153 O ARG A 13 -6.814 -3.372 -12.011 1.00 0.00 O ATOM 154 CB ARG A 13 -6.525 -1.047 -13.785 1.00 0.00 C ATOM 155 CG ARG A 13 -6.084 0.210 -14.519 1.00 0.00 C ATOM 156 CD ARG A 13 -6.008 1.404 -13.581 1.00 0.00 C ATOM 157 NE ARG A 13 -7.328 1.821 -13.117 1.00 0.00 N ATOM 158 CZ ARG A 13 -7.583 3.023 -12.612 1.00 0.00 C ATOM 159 NH1 ARG A 13 -6.614 3.922 -12.507 1.00 0.00 N ATOM 160 NH2 ARG A 13 -8.811 3.328 -12.211 1.00 0.00 N ATOM 0 H ARG A 13 -5.411 -3.166 -14.730 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.616 -1.098 -12.801 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.035 -1.707 -14.487 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.251 -0.774 -13.019 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.109 0.042 -14.976 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.783 0.425 -15.328 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.385 1.152 -12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.524 2.236 -14.092 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.096 1.153 -13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.669 3.692 -12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.813 4.844 -12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.559 2.639 -12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.006 4.251 -11.823 1.00 0.00 H new ATOM 174 N PHE A 14 -5.263 -2.324 -10.762 1.00 0.00 N ATOM 175 CA PHE A 14 -5.653 -2.989 -9.524 1.00 0.00 C ATOM 176 C PHE A 14 -6.789 -2.237 -8.837 1.00 0.00 C ATOM 177 O PHE A 14 -6.929 -1.023 -8.991 1.00 0.00 O ATOM 178 CB PHE A 14 -4.454 -3.098 -8.580 1.00 0.00 C ATOM 179 CG PHE A 14 -3.194 -3.550 -9.260 1.00 0.00 C ATOM 180 CD1 PHE A 14 -3.026 -4.876 -9.625 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.177 -2.650 -9.536 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.867 -5.295 -10.251 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.016 -3.063 -10.162 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.862 -4.387 -10.521 1.00 0.00 C ATOM 0 H PHE A 14 -4.490 -1.666 -10.662 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.003 -3.991 -9.773 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.278 -2.128 -8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.695 -3.796 -7.779 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.809 -5.590 -9.418 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.293 -1.613 -9.258 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.747 -6.332 -10.529 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.231 -2.351 -10.370 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.043 -4.712 -11.012 1.00 0.00 H new ATOM 194 N THR A 15 -7.600 -2.967 -8.078 1.00 0.00 N ATOM 195 CA THR A 15 -8.725 -2.372 -7.368 1.00 0.00 C ATOM 196 C THR A 15 -8.419 -2.216 -5.883 1.00 0.00 C ATOM 197 O THR A 15 -7.587 -2.938 -5.333 1.00 0.00 O ATOM 198 CB THR A 15 -10.003 -3.216 -7.532 1.00 0.00 C ATOM 199 OG1 THR A 15 -11.104 -2.569 -6.885 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.811 -4.607 -6.947 1.00 0.00 C ATOM 0 H THR A 15 -7.498 -3.972 -7.939 1.00 0.00 H new ATOM 0 HA THR A 15 -8.890 -1.388 -7.807 1.00 0.00 H new ATOM 0 HB THR A 15 -10.214 -3.313 -8.597 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.913 -3.111 -6.995 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.726 -5.185 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.991 -5.108 -7.462 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.578 -4.526 -5.885 1.00 0.00 H new ATOM 208 N ASP A 16 -9.095 -1.271 -5.240 1.00 0.00 N ATOM 209 CA ASP A 16 -8.896 -1.023 -3.817 1.00 0.00 C ATOM 210 C ASP A 16 -8.598 -2.322 -3.075 1.00 0.00 C ATOM 211 O ASP A 16 -7.700 -2.376 -2.234 1.00 0.00 O ATOM 212 CB ASP A 16 -10.132 -0.350 -3.217 1.00 0.00 C ATOM 213 CG ASP A 16 -10.548 0.889 -3.986 1.00 0.00 C ATOM 214 OD1 ASP A 16 -11.299 0.750 -4.973 1.00 0.00 O ATOM 215 OD2 ASP A 16 -10.121 1.997 -3.600 1.00 0.00 O ATOM 0 H ASP A 16 -9.786 -0.664 -5.681 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.040 -0.358 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.959 -1.060 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.928 -0.080 -2.181 1.00 0.00 H new ATOM 220 N TYR A 17 -9.357 -3.365 -3.391 1.00 0.00 N ATOM 221 CA TYR A 17 -9.176 -4.663 -2.752 1.00 0.00 C ATOM 222 C TYR A 17 -7.743 -5.158 -2.920 1.00 0.00 C ATOM 223 O TYR A 17 -7.104 -5.580 -1.957 1.00 0.00 O ATOM 224 CB TYR A 17 -10.152 -5.684 -3.338 1.00 0.00 C ATOM 225 CG TYR A 17 -9.679 -7.115 -3.216 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.198 -7.607 -2.009 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.710 -7.974 -4.307 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.763 -8.913 -1.893 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.279 -9.281 -4.200 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.806 -9.747 -2.991 1.00 0.00 C ATOM 231 OH TYR A 17 -8.374 -11.048 -2.880 1.00 0.00 O ATOM 0 H TYR A 17 -10.103 -3.337 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.378 -4.546 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.114 -5.584 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.317 -5.453 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.164 -6.957 -1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.078 -7.613 -5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.391 -9.279 -0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.312 -9.935 -5.059 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.472 -11.500 -3.744 1.00 0.00 H new ATOM 241 N GLN A 18 -7.245 -5.104 -4.152 1.00 0.00 N ATOM 242 CA GLN A 18 -5.888 -5.546 -4.447 1.00 0.00 C ATOM 243 C GLN A 18 -4.864 -4.531 -3.952 1.00 0.00 C ATOM 244 O GLN A 18 -3.906 -4.884 -3.263 1.00 0.00 O ATOM 245 CB GLN A 18 -5.718 -5.768 -5.951 1.00 0.00 C ATOM 246 CG GLN A 18 -6.738 -6.726 -6.544 1.00 0.00 C ATOM 247 CD GLN A 18 -6.226 -7.431 -7.785 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.773 -6.790 -8.734 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.293 -8.757 -7.783 1.00 0.00 N ATOM 0 H GLN A 18 -7.761 -4.759 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.718 -6.488 -3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.793 -4.808 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.716 -6.153 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.010 -7.470 -5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.646 -6.176 -6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.676 -9.247 -6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.961 -9.286 -8.590 1.00 0.00 H new ATOM 258 N LEU A 19 -5.072 -3.268 -4.307 1.00 0.00 N ATOM 259 CA LEU A 19 -4.166 -2.199 -3.899 1.00 0.00 C ATOM 260 C LEU A 19 -4.023 -2.157 -2.381 1.00 0.00 C ATOM 261 O LEU A 19 -2.987 -1.747 -1.856 1.00 0.00 O ATOM 262 CB LEU A 19 -4.672 -0.851 -4.413 1.00 0.00 C ATOM 263 CG LEU A 19 -4.506 -0.598 -5.912 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.101 0.748 -6.295 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.037 -0.665 -6.304 1.00 0.00 C ATOM 0 H LEU A 19 -5.860 -2.959 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.186 -2.401 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.730 -0.764 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.152 -0.060 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.042 -1.377 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.974 0.911 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.163 0.759 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.593 1.540 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.937 -0.483 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.479 0.092 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.642 -1.652 -6.066 1.00 0.00 H new ATOM 277 N ARG A 20 -5.068 -2.586 -1.681 1.00 0.00 N ATOM 278 CA ARG A 20 -5.059 -2.598 -0.223 1.00 0.00 C ATOM 279 C ARG A 20 -4.035 -3.598 0.305 1.00 0.00 C ATOM 280 O ARG A 20 -3.220 -3.271 1.168 1.00 0.00 O ATOM 281 CB ARG A 20 -6.449 -2.942 0.314 1.00 0.00 C ATOM 282 CG ARG A 20 -6.548 -2.881 1.830 1.00 0.00 C ATOM 283 CD ARG A 20 -6.486 -1.448 2.335 1.00 0.00 C ATOM 284 NE ARG A 20 -7.720 -0.716 2.059 1.00 0.00 N ATOM 285 CZ ARG A 20 -8.120 0.339 2.759 1.00 0.00 C ATOM 286 NH1 ARG A 20 -7.389 0.784 3.771 1.00 0.00 N ATOM 287 NH2 ARG A 20 -9.255 0.952 2.447 1.00 0.00 N ATOM 0 H ARG A 20 -5.932 -2.930 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.781 -1.602 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.176 -2.254 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.721 -3.944 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.481 -3.342 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.737 -3.459 2.272 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.298 -1.450 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.647 -0.934 1.866 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.306 -1.033 1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.516 0.316 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.699 1.595 4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.821 0.613 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.562 1.762 2.985 1.00 0.00 H new ATOM 301 N VAL A 21 -4.084 -4.819 -0.218 1.00 0.00 N ATOM 302 CA VAL A 21 -3.161 -5.868 0.201 1.00 0.00 C ATOM 303 C VAL A 21 -1.746 -5.582 -0.289 1.00 0.00 C ATOM 304 O VAL A 21 -0.773 -5.788 0.437 1.00 0.00 O ATOM 305 CB VAL A 21 -3.605 -7.247 -0.321 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.580 -8.311 0.043 1.00 0.00 C ATOM 307 CG2 VAL A 21 -4.978 -7.608 0.227 1.00 0.00 C ATOM 0 H VAL A 21 -4.753 -5.106 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.169 -5.881 1.291 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.674 -7.200 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.911 -9.279 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.618 -8.057 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.476 -8.360 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.276 -8.586 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.939 -7.638 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.704 -6.859 -0.089 1.00 0.00 H new ATOM 317 N LEU A 22 -1.639 -5.107 -1.525 1.00 0.00 N ATOM 318 CA LEU A 22 -0.342 -4.792 -2.114 1.00 0.00 C ATOM 319 C LEU A 22 0.325 -3.636 -1.375 1.00 0.00 C ATOM 320 O LEU A 22 1.524 -3.672 -1.101 1.00 0.00 O ATOM 321 CB LEU A 22 -0.503 -4.441 -3.594 1.00 0.00 C ATOM 322 CG LEU A 22 -1.068 -5.546 -4.488 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.487 -4.980 -5.836 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.047 -6.660 -4.669 1.00 0.00 C ATOM 0 H LEU A 22 -2.435 -4.932 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 22 0.294 -5.673 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.154 -3.570 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.471 -4.147 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.950 -5.964 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.886 -5.781 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.253 -4.218 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.622 -4.535 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.466 -7.437 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.854 -6.256 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.204 -7.085 -3.697 1.00 0.00 H new ATOM 336 N GLN A 23 -0.462 -2.613 -1.055 1.00 0.00 N ATOM 337 CA GLN A 23 0.053 -1.447 -0.346 1.00 0.00 C ATOM 338 C GLN A 23 0.326 -1.776 1.118 1.00 0.00 C ATOM 339 O GLN A 23 1.306 -1.309 1.697 1.00 0.00 O ATOM 340 CB GLN A 23 -0.938 -0.286 -0.444 1.00 0.00 C ATOM 341 CG GLN A 23 -0.329 1.064 -0.101 1.00 0.00 C ATOM 342 CD GLN A 23 0.632 1.558 -1.164 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.216 2.085 -2.196 1.00 0.00 O ATOM 344 NE2 GLN A 23 1.925 1.390 -0.917 1.00 0.00 N ATOM 0 H GLN A 23 -1.457 -2.568 -1.275 1.00 0.00 H new ATOM 0 HA GLN A 23 0.993 -1.154 -0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.340 -0.247 -1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.777 -0.478 0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.127 1.795 0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.196 0.990 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.225 0.948 -0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.619 1.703 -1.596 1.00 0.00 H new ATOM 353 N ASP A 24 -0.548 -2.583 1.710 1.00 0.00 N ATOM 354 CA ASP A 24 -0.402 -2.975 3.107 1.00 0.00 C ATOM 355 C ASP A 24 0.888 -3.763 3.318 1.00 0.00 C ATOM 356 O ASP A 24 1.571 -3.596 4.328 1.00 0.00 O ATOM 357 CB ASP A 24 -1.603 -3.810 3.554 1.00 0.00 C ATOM 358 CG ASP A 24 -1.503 -4.239 5.004 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.889 -5.294 5.269 1.00 0.00 O ATOM 360 OD2 ASP A 24 -2.039 -3.521 5.874 1.00 0.00 O ATOM 0 H ASP A 24 -1.365 -2.978 1.244 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.356 -2.068 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.516 -3.233 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.683 -4.694 2.921 1.00 0.00 H new ATOM 365 N PHE A 25 1.213 -4.623 2.358 1.00 0.00 N ATOM 366 CA PHE A 25 2.419 -5.438 2.439 1.00 0.00 C ATOM 367 C PHE A 25 3.664 -4.596 2.177 1.00 0.00 C ATOM 368 O PHE A 25 4.747 -4.896 2.679 1.00 0.00 O ATOM 369 CB PHE A 25 2.349 -6.592 1.436 1.00 0.00 C ATOM 370 CG PHE A 25 3.399 -7.642 1.656 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.736 -7.364 1.422 1.00 0.00 C ATOM 372 CD2 PHE A 25 3.049 -8.909 2.096 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.705 -8.329 1.624 1.00 0.00 C ATOM 374 CE2 PHE A 25 4.014 -9.877 2.300 1.00 0.00 C ATOM 375 CZ PHE A 25 5.343 -9.587 2.063 1.00 0.00 C ATOM 0 H PHE A 25 0.658 -4.773 1.515 1.00 0.00 H new ATOM 0 HA PHE A 25 2.484 -5.846 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.365 -7.056 1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.452 -6.193 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.025 -6.382 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.011 -9.142 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.744 -8.099 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.729 -10.860 2.645 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.098 -10.343 2.221 1.00 0.00 H new ATOM 385 N PHE A 26 3.501 -3.541 1.386 1.00 0.00 N ATOM 386 CA PHE A 26 4.611 -2.655 1.054 1.00 0.00 C ATOM 387 C PHE A 26 4.980 -1.776 2.246 1.00 0.00 C ATOM 388 O PHE A 26 6.147 -1.691 2.630 1.00 0.00 O ATOM 389 CB PHE A 26 4.251 -1.779 -0.147 1.00 0.00 C ATOM 390 CG PHE A 26 5.325 -0.795 -0.515 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.443 0.407 0.164 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.216 -1.073 -1.539 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.430 1.314 -0.173 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.205 -0.169 -1.880 1.00 0.00 C ATOM 395 CZ PHE A 26 7.313 1.025 -1.195 1.00 0.00 C ATOM 0 H PHE A 26 2.611 -3.278 0.963 1.00 0.00 H new ATOM 0 HA PHE A 26 5.472 -3.273 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.046 -2.419 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.332 -1.236 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.756 0.638 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.137 -2.006 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.511 2.248 0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.892 -0.397 -2.681 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.086 1.732 -1.458 1.00 0.00 H new ATOM 405 N ASP A 27 3.978 -1.125 2.826 1.00 0.00 N ATOM 406 CA ASP A 27 4.196 -0.252 3.974 1.00 0.00 C ATOM 407 C ASP A 27 5.009 -0.964 5.051 1.00 0.00 C ATOM 408 O ASP A 27 5.748 -0.331 5.804 1.00 0.00 O ATOM 409 CB ASP A 27 2.857 0.211 4.551 1.00 0.00 C ATOM 410 CG ASP A 27 2.961 1.552 5.249 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.173 2.568 4.555 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.828 1.586 6.491 1.00 0.00 O ATOM 0 H ASP A 27 3.007 -1.185 2.520 1.00 0.00 H new ATOM 0 HA ASP A 27 4.758 0.619 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.123 0.278 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.491 -0.535 5.256 1.00 0.00 H new ATOM 417 N ALA A 28 4.865 -2.284 5.118 1.00 0.00 N ATOM 418 CA ALA A 28 5.587 -3.082 6.102 1.00 0.00 C ATOM 419 C ALA A 28 6.874 -3.647 5.512 1.00 0.00 C ATOM 420 O ALA A 28 7.925 -3.618 6.151 1.00 0.00 O ATOM 421 CB ALA A 28 4.703 -4.206 6.620 1.00 0.00 C ATOM 0 H ALA A 28 4.255 -2.823 4.503 1.00 0.00 H new ATOM 0 HA ALA A 28 5.855 -2.432 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.254 -4.794 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.814 -3.783 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.406 -4.847 5.790 1.00 0.00 H new ATOM 427 N ASN A 29 6.784 -4.162 4.290 1.00 0.00 N ATOM 428 CA ASN A 29 7.943 -4.735 3.615 1.00 0.00 C ATOM 429 C ASN A 29 7.871 -4.492 2.111 1.00 0.00 C ATOM 430 O ASN A 29 6.874 -4.813 1.466 1.00 0.00 O ATOM 431 CB ASN A 29 8.032 -6.236 3.897 1.00 0.00 C ATOM 432 CG ASN A 29 9.365 -6.826 3.476 1.00 0.00 C ATOM 433 OD1 ASN A 29 9.318 -7.851 2.634 1.00 0.00 O flip ATOM 434 ND2 ASN A 29 10.423 -6.364 3.904 1.00 0.00 N flip ATOM 0 H ASN A 29 5.921 -4.194 3.747 1.00 0.00 H new ATOM 0 HA ASN A 29 8.837 -4.246 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.880 -6.412 4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.228 -6.750 3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.411 -5.575 4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.312 -6.770 3.612 1.00 0.00 H new ATOM 441 N ALA A 30 8.938 -3.923 1.558 1.00 0.00 N ATOM 442 CA ALA A 30 8.997 -3.639 0.129 1.00 0.00 C ATOM 443 C ALA A 30 10.162 -4.372 -0.528 1.00 0.00 C ATOM 444 O ALA A 30 10.506 -4.105 -1.680 1.00 0.00 O ATOM 445 CB ALA A 30 9.114 -2.141 -0.107 1.00 0.00 C ATOM 0 H ALA A 30 9.772 -3.650 2.077 1.00 0.00 H new ATOM 0 HA ALA A 30 8.073 -3.996 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.157 -1.944 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.247 -1.637 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.022 -1.768 0.367 1.00 0.00 H new ATOM 451 N TYR A 31 10.765 -5.296 0.211 1.00 0.00 N ATOM 452 CA TYR A 31 11.894 -6.066 -0.299 1.00 0.00 C ATOM 453 C TYR A 31 11.715 -7.553 -0.010 1.00 0.00 C ATOM 454 O TYR A 31 12.652 -8.255 0.370 1.00 0.00 O ATOM 455 CB TYR A 31 13.200 -5.568 0.322 1.00 0.00 C ATOM 456 CG TYR A 31 13.469 -4.101 0.071 1.00 0.00 C ATOM 457 CD1 TYR A 31 14.135 -3.683 -1.074 1.00 0.00 C ATOM 458 CD2 TYR A 31 13.058 -3.134 0.980 1.00 0.00 C ATOM 459 CE1 TYR A 31 14.384 -2.344 -1.307 1.00 0.00 C ATOM 460 CE2 TYR A 31 13.301 -1.793 0.755 1.00 0.00 C ATOM 461 CZ TYR A 31 13.965 -1.403 -0.390 1.00 0.00 C ATOM 462 OH TYR A 31 14.210 -0.068 -0.617 1.00 0.00 O ATOM 0 H TYR A 31 10.491 -5.530 1.165 1.00 0.00 H new ATOM 0 HA TYR A 31 11.937 -5.927 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.172 -5.745 1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.028 -6.154 -0.076 1.00 0.00 H new ATOM 0 HD1 TYR A 31 14.464 -4.417 -1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.540 -3.436 1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 31 14.904 -2.036 -2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.973 -1.054 1.471 1.00 0.00 H new ATOM 0 HH TYR A 31 13.849 0.462 0.124 1.00 0.00 H new ATOM 472 N PRO A 32 10.481 -8.046 -0.195 1.00 0.00 N ATOM 473 CA PRO A 32 10.148 -9.454 0.039 1.00 0.00 C ATOM 474 C PRO A 32 10.779 -10.379 -0.997 1.00 0.00 C ATOM 475 O PRO A 32 11.210 -9.934 -2.061 1.00 0.00 O ATOM 476 CB PRO A 32 8.622 -9.483 -0.078 1.00 0.00 C ATOM 477 CG PRO A 32 8.288 -8.321 -0.949 1.00 0.00 C ATOM 478 CD PRO A 32 9.316 -7.267 -0.647 1.00 0.00 C ATOM 0 HA PRO A 32 10.522 -9.806 1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.276 -10.419 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.148 -9.395 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.315 -8.602 -2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.282 -7.955 -0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.550 -6.669 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.970 -6.578 0.123 1.00 0.00 H new ATOM 486 N LYS A 33 10.831 -11.668 -0.680 1.00 0.00 N ATOM 487 CA LYS A 33 11.407 -12.656 -1.583 1.00 0.00 C ATOM 488 C LYS A 33 10.314 -13.456 -2.284 1.00 0.00 C ATOM 489 O LYS A 33 9.133 -13.331 -1.956 1.00 0.00 O ATOM 490 CB LYS A 33 12.333 -13.602 -0.814 1.00 0.00 C ATOM 491 CG LYS A 33 13.319 -12.885 0.091 1.00 0.00 C ATOM 492 CD LYS A 33 14.596 -12.525 -0.650 1.00 0.00 C ATOM 493 CE LYS A 33 14.502 -11.145 -1.284 1.00 0.00 C ATOM 494 NZ LYS A 33 14.871 -10.068 -0.324 1.00 0.00 N ATOM 0 H LYS A 33 10.480 -12.053 0.197 1.00 0.00 H new ATOM 0 HA LYS A 33 11.986 -12.126 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.728 -14.280 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.886 -14.215 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.859 -11.979 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.559 -13.519 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.439 -12.553 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.792 -13.269 -1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.159 -11.099 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.487 -10.979 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.036 -9.482 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.217 -10.494 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.618 -9.475 -0.738 1.00 0.00 H new ATOM 508 N ASP A 34 10.714 -14.279 -3.247 1.00 0.00 N ATOM 509 CA ASP A 34 9.768 -15.101 -3.992 1.00 0.00 C ATOM 510 C ASP A 34 8.730 -15.717 -3.059 1.00 0.00 C ATOM 511 O ASP A 34 7.528 -15.507 -3.226 1.00 0.00 O ATOM 512 CB ASP A 34 10.506 -16.204 -4.752 1.00 0.00 C ATOM 513 CG ASP A 34 11.047 -15.726 -6.085 1.00 0.00 C ATOM 514 OD1 ASP A 34 12.058 -14.993 -6.087 1.00 0.00 O ATOM 515 OD2 ASP A 34 10.460 -16.086 -7.127 1.00 0.00 O ATOM 0 H ASP A 34 11.687 -14.395 -3.530 1.00 0.00 H new ATOM 0 HA ASP A 34 9.253 -14.460 -4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.329 -16.574 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.830 -17.043 -4.917 1.00 0.00 H new ATOM 520 N ASP A 35 9.202 -16.477 -2.077 1.00 0.00 N ATOM 521 CA ASP A 35 8.315 -17.123 -1.116 1.00 0.00 C ATOM 522 C ASP A 35 7.206 -16.173 -0.676 1.00 0.00 C ATOM 523 O ASP A 35 6.028 -16.525 -0.705 1.00 0.00 O ATOM 524 CB ASP A 35 9.109 -17.601 0.101 1.00 0.00 C ATOM 525 CG ASP A 35 8.496 -18.828 0.746 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.413 -19.875 0.070 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.101 -18.743 1.927 1.00 0.00 O ATOM 0 H ASP A 35 10.194 -16.661 -1.925 1.00 0.00 H new ATOM 0 HA ASP A 35 7.858 -17.985 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.132 -17.826 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.163 -16.797 0.835 1.00 0.00 H new ATOM 532 N GLU A 36 7.594 -14.969 -0.267 1.00 0.00 N ATOM 533 CA GLU A 36 6.631 -13.969 0.181 1.00 0.00 C ATOM 534 C GLU A 36 5.707 -13.554 -0.959 1.00 0.00 C ATOM 535 O GLU A 36 4.483 -13.616 -0.836 1.00 0.00 O ATOM 536 CB GLU A 36 7.358 -12.742 0.736 1.00 0.00 C ATOM 537 CG GLU A 36 8.239 -13.047 1.936 1.00 0.00 C ATOM 538 CD GLU A 36 7.453 -13.596 3.112 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.895 -14.705 2.987 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.398 -12.914 4.157 1.00 0.00 O ATOM 0 H GLU A 36 8.566 -14.663 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 36 6.026 -14.413 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.971 -12.306 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.621 -11.991 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.004 -13.768 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.757 -12.138 2.242 1.00 0.00 H new ATOM 547 N PHE A 37 6.301 -13.129 -2.070 1.00 0.00 N ATOM 548 CA PHE A 37 5.531 -12.702 -3.232 1.00 0.00 C ATOM 549 C PHE A 37 4.440 -13.714 -3.565 1.00 0.00 C ATOM 550 O PHE A 37 3.344 -13.345 -3.986 1.00 0.00 O ATOM 551 CB PHE A 37 6.453 -12.514 -4.439 1.00 0.00 C ATOM 552 CG PHE A 37 7.038 -11.134 -4.538 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.349 -10.120 -5.182 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.277 -10.852 -3.986 1.00 0.00 C ATOM 555 CE1 PHE A 37 6.885 -8.849 -5.275 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.819 -9.583 -4.076 1.00 0.00 C ATOM 557 CZ PHE A 37 8.121 -8.580 -4.720 1.00 0.00 C ATOM 0 H PHE A 37 7.312 -13.071 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 37 5.057 -11.750 -2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.264 -13.240 -4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.894 -12.729 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.382 -10.324 -5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.826 -11.632 -3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.338 -8.067 -5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.787 -9.376 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.541 -7.587 -4.789 1.00 0.00 H new ATOM 567 N GLU A 38 4.748 -14.993 -3.372 1.00 0.00 N ATOM 568 CA GLU A 38 3.794 -16.059 -3.652 1.00 0.00 C ATOM 569 C GLU A 38 2.521 -15.880 -2.830 1.00 0.00 C ATOM 570 O GLU A 38 1.412 -16.029 -3.344 1.00 0.00 O ATOM 571 CB GLU A 38 4.418 -17.424 -3.355 1.00 0.00 C ATOM 572 CG GLU A 38 5.433 -17.868 -4.394 1.00 0.00 C ATOM 573 CD GLU A 38 6.512 -18.761 -3.812 1.00 0.00 C ATOM 574 OE1 GLU A 38 6.187 -19.895 -3.403 1.00 0.00 O ATOM 575 OE2 GLU A 38 7.682 -18.325 -3.765 1.00 0.00 O ATOM 0 H GLU A 38 5.651 -15.316 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 38 3.533 -16.009 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.902 -17.388 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.626 -18.170 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.919 -18.400 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.897 -16.989 -4.842 1.00 0.00 H new ATOM 582 N GLN A 39 2.689 -15.560 -1.551 1.00 0.00 N ATOM 583 CA GLN A 39 1.554 -15.362 -0.658 1.00 0.00 C ATOM 584 C GLN A 39 0.535 -14.410 -1.276 1.00 0.00 C ATOM 585 O GLN A 39 -0.657 -14.715 -1.336 1.00 0.00 O ATOM 586 CB GLN A 39 2.028 -14.816 0.690 1.00 0.00 C ATOM 587 CG GLN A 39 2.789 -15.833 1.525 1.00 0.00 C ATOM 588 CD GLN A 39 1.872 -16.720 2.342 1.00 0.00 C ATOM 589 OE1 GLN A 39 0.886 -16.254 2.915 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.191 -18.008 2.401 1.00 0.00 N ATOM 0 H GLN A 39 3.600 -15.432 -1.110 1.00 0.00 H new ATOM 0 HA GLN A 39 1.074 -16.328 -0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.666 -13.950 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.164 -14.468 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.398 -16.454 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.473 -15.310 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.017 -18.352 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.610 -18.653 2.936 1.00 0.00 H new ATOM 599 N LEU A 40 1.011 -13.257 -1.733 1.00 0.00 N ATOM 600 CA LEU A 40 0.140 -12.260 -2.346 1.00 0.00 C ATOM 601 C LEU A 40 -0.390 -12.752 -3.689 1.00 0.00 C ATOM 602 O LEU A 40 -1.566 -12.575 -4.005 1.00 0.00 O ATOM 603 CB LEU A 40 0.895 -10.943 -2.534 1.00 0.00 C ATOM 604 CG LEU A 40 1.392 -10.265 -1.257 1.00 0.00 C ATOM 605 CD1 LEU A 40 2.638 -9.440 -1.540 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.299 -9.394 -0.656 1.00 0.00 C ATOM 0 H LEU A 40 1.994 -12.989 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.708 -12.095 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.753 -11.128 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.243 -10.246 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 40 1.651 -11.039 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.977 -8.965 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.425 -10.089 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.407 -8.674 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.670 -8.919 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.009 -8.627 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.567 -10.011 -0.415 1.00 0.00 H new ATOM 618 N SER A 41 0.485 -13.372 -4.474 1.00 0.00 N ATOM 619 CA SER A 41 0.106 -13.888 -5.783 1.00 0.00 C ATOM 620 C SER A 41 -1.035 -14.895 -5.661 1.00 0.00 C ATOM 621 O SER A 41 -1.849 -15.040 -6.571 1.00 0.00 O ATOM 622 CB SER A 41 1.308 -14.544 -6.465 1.00 0.00 C ATOM 623 OG SER A 41 1.383 -15.924 -6.151 1.00 0.00 O ATOM 0 H SER A 41 1.462 -13.529 -4.226 1.00 0.00 H new ATOM 0 HA SER A 41 -0.235 -13.050 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.231 -14.417 -7.545 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.225 -14.046 -6.150 1.00 0.00 H new ATOM 0 HG SER A 41 1.399 -16.038 -5.178 1.00 0.00 H new ATOM 629 N ASN A 42 -1.085 -15.587 -4.527 1.00 0.00 N ATOM 630 CA ASN A 42 -2.125 -16.580 -4.285 1.00 0.00 C ATOM 631 C ASN A 42 -3.401 -15.919 -3.775 1.00 0.00 C ATOM 632 O ASN A 42 -4.509 -16.361 -4.084 1.00 0.00 O ATOM 633 CB ASN A 42 -1.638 -17.621 -3.274 1.00 0.00 C ATOM 634 CG ASN A 42 -0.864 -18.748 -3.932 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.448 -19.716 -4.417 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.458 -18.625 -3.949 1.00 0.00 N ATOM 0 H ASN A 42 -0.418 -15.478 -3.763 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.347 -17.075 -5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.005 -17.134 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.494 -18.035 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.032 -19.351 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.899 -17.804 -3.534 1.00 0.00 H new ATOM 643 N LEU A 43 -3.239 -14.857 -2.993 1.00 0.00 N ATOM 644 CA LEU A 43 -4.378 -14.132 -2.441 1.00 0.00 C ATOM 645 C LEU A 43 -5.083 -13.319 -3.522 1.00 0.00 C ATOM 646 O LEU A 43 -6.273 -13.505 -3.778 1.00 0.00 O ATOM 647 CB LEU A 43 -3.921 -13.210 -1.309 1.00 0.00 C ATOM 648 CG LEU A 43 -4.897 -12.103 -0.909 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.216 -12.698 -0.439 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.291 -11.223 0.174 1.00 0.00 C ATOM 0 H LEU A 43 -2.330 -14.479 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.084 -14.862 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.716 -13.821 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.979 -12.747 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.093 -11.484 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.898 -11.895 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.658 -13.285 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.038 -13.341 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.000 -10.441 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.065 -11.829 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.373 -10.768 -0.198 1.00 0.00 H new ATOM 662 N LEU A 44 -4.340 -12.418 -4.155 1.00 0.00 N ATOM 663 CA LEU A 44 -4.892 -11.577 -5.211 1.00 0.00 C ATOM 664 C LEU A 44 -5.042 -12.362 -6.510 1.00 0.00 C ATOM 665 O LEU A 44 -5.653 -11.887 -7.467 1.00 0.00 O ATOM 666 CB LEU A 44 -3.997 -10.357 -5.440 1.00 0.00 C ATOM 667 CG LEU A 44 -3.635 -9.547 -4.194 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.486 -8.596 -4.491 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.847 -8.780 -3.686 1.00 0.00 C ATOM 0 H LEU A 44 -3.354 -12.251 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.879 -11.241 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.073 -10.692 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.494 -9.694 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.315 -10.239 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.242 -8.028 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.613 -9.167 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.778 -7.910 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.571 -8.209 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.198 -8.099 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.642 -9.482 -3.433 1.00 0.00 H new ATOM 681 N ASN A 45 -4.482 -13.567 -6.535 1.00 0.00 N ATOM 682 CA ASN A 45 -4.555 -14.419 -7.717 1.00 0.00 C ATOM 683 C ASN A 45 -3.873 -13.756 -8.909 1.00 0.00 C ATOM 684 O ASN A 45 -4.247 -13.986 -10.060 1.00 0.00 O ATOM 685 CB ASN A 45 -6.014 -14.730 -8.058 1.00 0.00 C ATOM 686 CG ASN A 45 -6.515 -15.984 -7.368 1.00 0.00 C ATOM 687 OD1 ASN A 45 -7.303 -15.914 -6.424 1.00 0.00 O ATOM 688 ND2 ASN A 45 -6.059 -17.139 -7.837 1.00 0.00 N ATOM 0 H ASN A 45 -3.973 -13.975 -5.751 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.034 -15.350 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.640 -13.885 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.115 -14.847 -9.137 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.361 -18.016 -7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.407 -17.149 -8.621 1.00 0.00 H new ATOM 695 N LEU A 46 -2.869 -12.933 -8.627 1.00 0.00 N ATOM 696 CA LEU A 46 -2.132 -12.237 -9.675 1.00 0.00 C ATOM 697 C LEU A 46 -0.714 -12.784 -9.800 1.00 0.00 C ATOM 698 O LEU A 46 -0.135 -13.300 -8.844 1.00 0.00 O ATOM 699 CB LEU A 46 -2.088 -10.736 -9.384 1.00 0.00 C ATOM 700 CG LEU A 46 -3.441 -10.028 -9.302 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.277 -8.627 -8.735 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.101 -9.978 -10.672 1.00 0.00 C ATOM 0 H LEU A 46 -2.547 -12.731 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.650 -12.403 -10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.563 -10.584 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.494 -10.253 -10.160 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.086 -10.595 -8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.250 -8.139 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.849 -8.687 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.614 -8.049 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.063 -9.471 -10.594 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.459 -9.435 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.255 -10.993 -11.039 1.00 0.00 H new ATOM 714 N PRO A 47 -0.138 -12.667 -11.006 1.00 0.00 N ATOM 715 CA PRO A 47 1.221 -13.141 -11.283 1.00 0.00 C ATOM 716 C PRO A 47 2.283 -12.298 -10.585 1.00 0.00 C ATOM 717 O PRO A 47 2.269 -11.069 -10.667 1.00 0.00 O ATOM 718 CB PRO A 47 1.342 -13.002 -12.803 1.00 0.00 C ATOM 719 CG PRO A 47 0.370 -11.932 -13.164 1.00 0.00 C ATOM 720 CD PRO A 47 -0.769 -12.062 -12.191 1.00 0.00 C ATOM 0 HA PRO A 47 1.380 -14.156 -10.920 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.356 -12.731 -13.096 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.104 -13.939 -13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.831 -10.947 -13.096 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.022 -12.051 -14.190 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.212 -11.094 -11.960 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.566 -12.691 -12.587 1.00 0.00 H new ATOM 728 N THR A 48 3.205 -12.966 -9.898 1.00 0.00 N ATOM 729 CA THR A 48 4.274 -12.278 -9.185 1.00 0.00 C ATOM 730 C THR A 48 4.893 -11.183 -10.046 1.00 0.00 C ATOM 731 O THR A 48 5.185 -10.090 -9.562 1.00 0.00 O ATOM 732 CB THR A 48 5.379 -13.258 -8.748 1.00 0.00 C ATOM 733 OG1 THR A 48 5.565 -14.265 -9.750 1.00 0.00 O ATOM 734 CG2 THR A 48 5.028 -13.914 -7.422 1.00 0.00 C ATOM 0 H THR A 48 3.233 -13.983 -9.821 1.00 0.00 H new ATOM 0 HA THR A 48 3.825 -11.829 -8.299 1.00 0.00 H new ATOM 0 HB THR A 48 6.304 -12.695 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.270 -14.883 -9.466 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.823 -14.602 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.916 -13.147 -6.655 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.092 -14.464 -7.524 1.00 0.00 H new ATOM 742 N ARG A 49 5.091 -11.483 -11.326 1.00 0.00 N ATOM 743 CA ARG A 49 5.676 -10.524 -12.254 1.00 0.00 C ATOM 744 C ARG A 49 4.943 -9.187 -12.189 1.00 0.00 C ATOM 745 O ARG A 49 5.551 -8.126 -12.324 1.00 0.00 O ATOM 746 CB ARG A 49 5.633 -11.072 -13.682 1.00 0.00 C ATOM 747 CG ARG A 49 4.292 -10.876 -14.370 1.00 0.00 C ATOM 748 CD ARG A 49 4.243 -9.560 -15.130 1.00 0.00 C ATOM 749 NE ARG A 49 5.161 -9.549 -16.266 1.00 0.00 N ATOM 750 CZ ARG A 49 4.998 -10.299 -17.350 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.957 -11.115 -17.444 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.876 -10.234 -18.342 1.00 0.00 N ATOM 0 H ARG A 49 4.854 -12.383 -11.743 1.00 0.00 H new ATOM 0 HA ARG A 49 6.715 -10.364 -11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.409 -10.585 -14.272 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.869 -12.136 -13.661 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.111 -11.702 -15.058 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.494 -10.899 -13.628 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.227 -9.383 -15.483 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.493 -8.742 -14.454 1.00 0.00 H new ATOM 0 HE ARG A 49 5.972 -8.931 -16.225 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.280 -11.167 -16.683 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.833 -11.690 -18.277 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.678 -9.607 -18.273 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.749 -10.811 -19.174 1.00 0.00 H new ATOM 766 N VAL A 50 3.631 -9.247 -11.982 1.00 0.00 N ATOM 767 CA VAL A 50 2.814 -8.042 -11.898 1.00 0.00 C ATOM 768 C VAL A 50 2.991 -7.352 -10.551 1.00 0.00 C ATOM 769 O VAL A 50 3.020 -6.123 -10.471 1.00 0.00 O ATOM 770 CB VAL A 50 1.322 -8.360 -12.108 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.455 -7.224 -11.588 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.037 -8.630 -13.578 1.00 0.00 C ATOM 0 H VAL A 50 3.111 -10.117 -11.869 1.00 0.00 H new ATOM 0 HA VAL A 50 3.150 -7.375 -12.692 1.00 0.00 H new ATOM 0 HB VAL A 50 1.077 -9.259 -11.543 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.596 -7.467 -11.745 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.640 -7.084 -10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.699 -6.306 -12.123 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.022 -8.853 -13.708 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.298 -7.750 -14.167 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.631 -9.480 -13.914 1.00 0.00 H new ATOM 782 N ILE A 51 3.109 -8.149 -9.494 1.00 0.00 N ATOM 783 CA ILE A 51 3.284 -7.613 -8.150 1.00 0.00 C ATOM 784 C ILE A 51 4.684 -7.037 -7.966 1.00 0.00 C ATOM 785 O ILE A 51 4.886 -6.107 -7.185 1.00 0.00 O ATOM 786 CB ILE A 51 3.041 -8.692 -7.078 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.753 -9.462 -7.381 1.00 0.00 C ATOM 788 CG2 ILE A 51 2.974 -8.060 -5.696 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.581 -10.707 -6.539 1.00 0.00 C ATOM 0 H ILE A 51 3.087 -9.168 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 51 2.548 -6.819 -8.029 1.00 0.00 H new ATOM 0 HB ILE A 51 3.874 -9.394 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.899 -8.804 -7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.746 -9.742 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.802 -8.835 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.915 -7.553 -5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.157 -7.339 -5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.648 -11.202 -6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.415 -11.385 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.556 -10.432 -5.484 1.00 0.00 H new ATOM 801 N VAL A 52 5.648 -7.594 -8.692 1.00 0.00 N ATOM 802 CA VAL A 52 7.029 -7.134 -8.612 1.00 0.00 C ATOM 803 C VAL A 52 7.174 -5.730 -9.189 1.00 0.00 C ATOM 804 O VAL A 52 7.679 -4.824 -8.526 1.00 0.00 O ATOM 805 CB VAL A 52 7.982 -8.085 -9.359 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.382 -7.494 -9.428 1.00 0.00 C ATOM 807 CG2 VAL A 52 8.003 -9.451 -8.690 1.00 0.00 C ATOM 0 H VAL A 52 5.498 -8.365 -9.343 1.00 0.00 H new ATOM 0 HA VAL A 52 7.297 -7.120 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 52 7.617 -8.210 -10.378 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.041 -8.181 -9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.349 -6.541 -9.956 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.761 -7.336 -8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.682 -10.111 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.343 -9.346 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.999 -9.876 -8.699 1.00 0.00 H new ATOM 817 N VAL A 53 6.729 -5.557 -10.430 1.00 0.00 N ATOM 818 CA VAL A 53 6.808 -4.263 -11.096 1.00 0.00 C ATOM 819 C VAL A 53 6.183 -3.165 -10.242 1.00 0.00 C ATOM 820 O VAL A 53 6.683 -2.041 -10.194 1.00 0.00 O ATOM 821 CB VAL A 53 6.106 -4.294 -12.467 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.134 -2.917 -13.113 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.753 -5.330 -13.373 1.00 0.00 C ATOM 0 H VAL A 53 6.310 -6.297 -10.994 1.00 0.00 H new ATOM 0 HA VAL A 53 7.866 -4.047 -11.242 1.00 0.00 H new ATOM 0 HB VAL A 53 5.064 -4.577 -12.316 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.634 -2.959 -14.080 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.621 -2.203 -12.469 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.168 -2.602 -13.253 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.245 -5.338 -14.337 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.804 -5.080 -13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.675 -6.315 -12.913 1.00 0.00 H new ATOM 833 N TRP A 54 5.087 -3.499 -9.570 1.00 0.00 N ATOM 834 CA TRP A 54 4.393 -2.541 -8.716 1.00 0.00 C ATOM 835 C TRP A 54 5.231 -2.198 -7.489 1.00 0.00 C ATOM 836 O TRP A 54 5.407 -1.027 -7.153 1.00 0.00 O ATOM 837 CB TRP A 54 3.038 -3.101 -8.283 1.00 0.00 C ATOM 838 CG TRP A 54 2.222 -2.131 -7.483 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.188 -1.362 -7.935 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.374 -1.826 -6.093 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.688 -0.596 -6.910 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.398 -0.863 -5.769 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.238 -2.273 -5.090 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.265 -0.341 -4.485 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.105 -1.754 -3.816 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.125 -0.797 -3.522 1.00 0.00 C ATOM 0 H TRP A 54 4.660 -4.425 -9.600 1.00 0.00 H new ATOM 0 HA TRP A 54 4.234 -1.628 -9.291 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.475 -3.395 -9.169 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.198 -4.003 -7.693 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.818 -1.357 -8.949 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.086 0.064 -6.986 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.996 -3.011 -5.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.510 0.397 -4.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.768 -2.092 -3.033 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.046 -0.411 -2.516 1.00 0.00 H new ATOM 857 N PHE A 55 5.746 -3.227 -6.824 1.00 0.00 N ATOM 858 CA PHE A 55 6.565 -3.034 -5.633 1.00 0.00 C ATOM 859 C PHE A 55 7.838 -2.261 -5.968 1.00 0.00 C ATOM 860 O PHE A 55 8.262 -1.388 -5.211 1.00 0.00 O ATOM 861 CB PHE A 55 6.925 -4.385 -5.011 1.00 0.00 C ATOM 862 CG PHE A 55 5.938 -4.851 -3.979 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.628 -5.133 -4.331 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.320 -5.006 -2.656 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.718 -5.562 -3.384 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.415 -5.436 -1.705 1.00 0.00 C ATOM 867 CZ PHE A 55 4.111 -5.713 -2.069 1.00 0.00 C ATOM 0 H PHE A 55 5.611 -4.203 -7.090 1.00 0.00 H new ATOM 0 HA PHE A 55 5.986 -2.454 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.993 -5.133 -5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.912 -4.314 -4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.314 -5.016 -5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.337 -4.788 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.700 -5.779 -3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.726 -5.556 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.401 -6.047 -1.327 1.00 0.00 H new ATOM 877 N GLN A 56 8.440 -2.589 -7.106 1.00 0.00 N ATOM 878 CA GLN A 56 9.665 -1.927 -7.540 1.00 0.00 C ATOM 879 C GLN A 56 9.466 -0.417 -7.626 1.00 0.00 C ATOM 880 O GLN A 56 10.183 0.351 -6.987 1.00 0.00 O ATOM 881 CB GLN A 56 10.111 -2.472 -8.898 1.00 0.00 C ATOM 882 CG GLN A 56 10.883 -3.778 -8.805 1.00 0.00 C ATOM 883 CD GLN A 56 11.874 -3.953 -9.938 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.316 -2.978 -10.547 1.00 0.00 O ATOM 885 NE2 GLN A 56 12.228 -5.199 -10.229 1.00 0.00 N ATOM 0 H GLN A 56 8.100 -3.309 -7.744 1.00 0.00 H new ATOM 0 HA GLN A 56 10.440 -2.132 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.233 -2.622 -9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.733 -1.726 -9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.414 -3.814 -7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.181 -4.612 -8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.837 -5.977 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.891 -5.378 -10.983 1.00 0.00 H new ATOM 894 N ASN A 57 8.486 0.002 -8.421 1.00 0.00 N ATOM 895 CA ASN A 57 8.193 1.420 -8.592 1.00 0.00 C ATOM 896 C ASN A 57 7.864 2.072 -7.252 1.00 0.00 C ATOM 897 O ASN A 57 8.416 3.116 -6.906 1.00 0.00 O ATOM 898 CB ASN A 57 7.027 1.608 -9.564 1.00 0.00 C ATOM 899 CG ASN A 57 7.456 1.480 -11.013 1.00 0.00 C ATOM 900 OD1 ASN A 57 8.171 2.334 -11.538 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.020 0.410 -11.667 1.00 0.00 N ATOM 0 H ASN A 57 7.882 -0.621 -8.957 1.00 0.00 H new ATOM 0 HA ASN A 57 9.080 1.902 -9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.256 0.868 -9.350 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.580 2.589 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.276 0.270 -12.644 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.429 -0.272 -11.192 1.00 0.00 H new ATOM 908 N ALA A 58 6.960 1.449 -6.504 1.00 0.00 N ATOM 909 CA ALA A 58 6.558 1.967 -5.202 1.00 0.00 C ATOM 910 C ALA A 58 7.772 2.389 -4.381 1.00 0.00 C ATOM 911 O ALA A 58 7.733 3.394 -3.670 1.00 0.00 O ATOM 912 CB ALA A 58 5.745 0.925 -4.447 1.00 0.00 C ATOM 0 H ALA A 58 6.492 0.585 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 58 5.937 2.848 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.452 1.326 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.853 0.674 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.348 0.028 -4.302 1.00 0.00 H new ATOM 918 N ARG A 59 8.848 1.616 -4.483 1.00 0.00 N ATOM 919 CA ARG A 59 10.072 1.910 -3.749 1.00 0.00 C ATOM 920 C ARG A 59 10.755 3.156 -4.305 1.00 0.00 C ATOM 921 O ARG A 59 11.263 3.985 -3.551 1.00 0.00 O ATOM 922 CB ARG A 59 11.030 0.719 -3.814 1.00 0.00 C ATOM 923 CG ARG A 59 10.549 -0.493 -3.034 1.00 0.00 C ATOM 924 CD ARG A 59 11.672 -1.495 -2.812 1.00 0.00 C ATOM 925 NE ARG A 59 11.850 -2.380 -3.960 1.00 0.00 N ATOM 926 CZ ARG A 59 12.585 -2.069 -5.022 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.207 -0.899 -5.082 1.00 0.00 N ATOM 928 NH2 ARG A 59 12.699 -2.928 -6.026 1.00 0.00 N ATOM 0 H ARG A 59 8.897 0.781 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 59 9.805 2.097 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.174 0.436 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.003 1.025 -3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.150 -0.173 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.733 -0.973 -3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.602 -0.960 -2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.456 -2.091 -1.925 1.00 0.00 H new ATOM 0 HE ARG A 59 11.384 -3.287 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.122 -0.236 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.771 -0.662 -5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.222 -3.829 -5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.264 -2.688 -6.841 1.00 0.00 H new ATOM 942 N GLN A 60 10.761 3.280 -5.628 1.00 0.00 N ATOM 943 CA GLN A 60 11.382 4.425 -6.285 1.00 0.00 C ATOM 944 C GLN A 60 10.699 5.725 -5.872 1.00 0.00 C ATOM 945 O GLN A 60 11.355 6.749 -5.678 1.00 0.00 O ATOM 946 CB GLN A 60 11.321 4.263 -7.805 1.00 0.00 C ATOM 947 CG GLN A 60 12.302 3.236 -8.347 1.00 0.00 C ATOM 948 CD GLN A 60 13.702 3.795 -8.509 1.00 0.00 C ATOM 949 OE1 GLN A 60 14.178 4.559 -7.669 1.00 0.00 O ATOM 950 NE2 GLN A 60 14.369 3.417 -9.593 1.00 0.00 N ATOM 0 H GLN A 60 10.343 2.603 -6.266 1.00 0.00 H new ATOM 0 HA GLN A 60 12.426 4.469 -5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.310 3.974 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.521 5.227 -8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.333 2.379 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.946 2.873 -9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.935 2.782 -10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.315 3.762 -9.756 1.00 0.00 H new ATOM 959 N LYS A 61 9.378 5.678 -5.740 1.00 0.00 N ATOM 960 CA LYS A 61 8.605 6.851 -5.350 1.00 0.00 C ATOM 961 C LYS A 61 8.969 7.297 -3.937 1.00 0.00 C ATOM 962 O LYS A 61 9.085 8.491 -3.664 1.00 0.00 O ATOM 963 CB LYS A 61 7.107 6.551 -5.432 1.00 0.00 C ATOM 964 CG LYS A 61 6.609 6.321 -6.848 1.00 0.00 C ATOM 965 CD LYS A 61 5.167 5.843 -6.862 1.00 0.00 C ATOM 966 CE LYS A 61 4.775 5.293 -8.225 1.00 0.00 C ATOM 967 NZ LYS A 61 4.838 6.338 -9.284 1.00 0.00 N ATOM 0 H LYS A 61 8.820 4.839 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 61 8.845 7.659 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.888 5.668 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.554 7.381 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.692 7.246 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.242 5.584 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.031 5.071 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.506 6.669 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.438 4.469 -8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.765 4.886 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.531 5.932 -10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.212 7.129 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.815 6.684 -9.372 1.00 0.00 H new ATOM 981 N ALA A 62 9.149 6.329 -3.044 1.00 0.00 N ATOM 982 CA ALA A 62 9.503 6.622 -1.661 1.00 0.00 C ATOM 983 C ALA A 62 10.774 7.461 -1.586 1.00 0.00 C ATOM 984 O ALA A 62 10.872 8.385 -0.777 1.00 0.00 O ATOM 985 CB ALA A 62 9.673 5.331 -0.875 1.00 0.00 C ATOM 0 H ALA A 62 9.055 5.335 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 62 8.691 7.199 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.937 5.565 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.739 4.769 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.465 4.732 -1.326 1.00 0.00 H new ATOM 991 N ARG A 63 11.745 7.134 -2.432 1.00 0.00 N ATOM 992 CA ARG A 63 13.011 7.856 -2.459 1.00 0.00 C ATOM 993 C ARG A 63 12.791 9.324 -2.814 1.00 0.00 C ATOM 994 O ARG A 63 12.517 9.661 -3.966 1.00 0.00 O ATOM 995 CB ARG A 63 13.967 7.214 -3.466 1.00 0.00 C ATOM 996 CG ARG A 63 14.482 5.851 -3.034 1.00 0.00 C ATOM 997 CD ARG A 63 15.832 5.541 -3.660 1.00 0.00 C ATOM 998 NE ARG A 63 16.916 6.281 -3.019 1.00 0.00 N ATOM 999 CZ ARG A 63 18.083 6.529 -3.603 1.00 0.00 C ATOM 1000 NH1 ARG A 63 18.316 6.099 -4.835 1.00 0.00 N ATOM 1001 NH2 ARG A 63 19.019 7.209 -2.954 1.00 0.00 N ATOM 0 H ARG A 63 11.679 6.373 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 63 13.453 7.803 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.458 7.113 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.815 7.880 -3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.568 5.821 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.763 5.083 -3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.029 4.472 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.804 5.786 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 63 16.769 6.626 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.598 5.576 -5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.213 6.291 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 63 18.843 7.542 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.915 7.399 -3.403 1.00 0.00 H new ATOM 1015 N LYS A 64 12.914 10.193 -1.816 1.00 0.00 N ATOM 1016 CA LYS A 64 12.730 11.625 -2.021 1.00 0.00 C ATOM 1017 C LYS A 64 13.332 12.065 -3.352 1.00 0.00 C ATOM 1018 O LYS A 64 14.195 11.387 -3.908 1.00 0.00 O ATOM 1019 CB LYS A 64 13.369 12.411 -0.875 1.00 0.00 C ATOM 1020 CG LYS A 64 14.886 12.330 -0.852 1.00 0.00 C ATOM 1021 CD LYS A 64 15.477 13.232 0.218 1.00 0.00 C ATOM 1022 CE LYS A 64 15.441 12.571 1.587 1.00 0.00 C ATOM 1023 NZ LYS A 64 16.504 11.539 1.732 1.00 0.00 N ATOM 0 H LYS A 64 13.140 9.930 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 64 11.660 11.830 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.071 13.457 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.979 12.037 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.193 11.300 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.281 12.614 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.507 13.479 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.923 14.170 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.563 13.330 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.465 12.112 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.535 11.208 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.297 10.736 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.424 11.950 1.476 1.00 0.00 H new ATOM 1037 N SER A 65 12.872 13.206 -3.855 1.00 0.00 N ATOM 1038 CA SER A 65 13.364 13.736 -5.122 1.00 0.00 C ATOM 1039 C SER A 65 14.713 14.424 -4.935 1.00 0.00 C ATOM 1040 O SER A 65 14.940 15.519 -5.447 1.00 0.00 O ATOM 1041 CB SER A 65 12.354 14.721 -5.713 1.00 0.00 C ATOM 1042 OG SER A 65 12.061 15.762 -4.798 1.00 0.00 O ATOM 0 H SER A 65 12.160 13.781 -3.405 1.00 0.00 H new ATOM 0 HA SER A 65 13.493 12.902 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.752 15.145 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.437 14.193 -5.974 1.00 0.00 H new ATOM 0 HG SER A 65 11.303 16.286 -5.131 1.00 0.00 H new ATOM 1048 N GLY A 66 15.606 13.772 -4.196 1.00 0.00 N ATOM 1049 CA GLY A 66 16.922 14.335 -3.954 1.00 0.00 C ATOM 1050 C GLY A 66 16.856 15.749 -3.411 1.00 0.00 C ATOM 1051 O GLY A 66 15.791 16.250 -3.050 1.00 0.00 O ATOM 0 H GLY A 66 15.442 12.864 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.460 13.703 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.492 14.332 -4.883 1.00 0.00 H new ATOM 1055 N PRO A 67 18.018 16.416 -3.345 1.00 0.00 N ATOM 1056 CA PRO A 67 18.115 17.790 -2.842 1.00 0.00 C ATOM 1057 C PRO A 67 17.475 18.800 -3.788 1.00 0.00 C ATOM 1058 O PRO A 67 17.510 20.005 -3.540 1.00 0.00 O ATOM 1059 CB PRO A 67 19.624 18.027 -2.747 1.00 0.00 C ATOM 1060 CG PRO A 67 20.218 17.092 -3.743 1.00 0.00 C ATOM 1061 CD PRO A 67 19.326 15.881 -3.758 1.00 0.00 C ATOM 0 HA PRO A 67 17.590 17.916 -1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.877 19.062 -2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.994 17.823 -1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 67 20.267 17.553 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 67 21.237 16.823 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.280 15.428 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.681 15.112 -3.072 1.00 0.00 H new ATOM 1069 N SER A 68 16.891 18.301 -4.873 1.00 0.00 N ATOM 1070 CA SER A 68 16.247 19.161 -5.858 1.00 0.00 C ATOM 1071 C SER A 68 14.767 18.815 -5.997 1.00 0.00 C ATOM 1072 O SER A 68 14.394 17.939 -6.777 1.00 0.00 O ATOM 1073 CB SER A 68 16.942 19.029 -7.215 1.00 0.00 C ATOM 1074 OG SER A 68 16.151 19.588 -8.250 1.00 0.00 O ATOM 0 H SER A 68 16.851 17.306 -5.092 1.00 0.00 H new ATOM 0 HA SER A 68 16.331 20.192 -5.513 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.910 19.530 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.134 17.977 -7.428 1.00 0.00 H new ATOM 0 HG SER A 68 16.618 19.492 -9.106 1.00 0.00 H new ATOM 1080 N SER A 69 13.930 19.509 -5.233 1.00 0.00 N ATOM 1081 CA SER A 69 12.491 19.273 -5.266 1.00 0.00 C ATOM 1082 C SER A 69 11.968 19.309 -6.699 1.00 0.00 C ATOM 1083 O SER A 69 11.236 18.418 -7.127 1.00 0.00 O ATOM 1084 CB SER A 69 11.762 20.318 -4.419 1.00 0.00 C ATOM 1085 OG SER A 69 10.400 19.970 -4.241 1.00 0.00 O ATOM 0 H SER A 69 14.223 20.239 -4.584 1.00 0.00 H new ATOM 0 HA SER A 69 12.300 18.283 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.248 20.407 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.831 21.294 -4.900 1.00 0.00 H new ATOM 0 HG SER A 69 9.957 20.653 -3.695 1.00 0.00 H new ATOM 1091 N GLY A 70 12.349 20.348 -7.436 1.00 0.00 N ATOM 1092 CA GLY A 70 11.910 20.482 -8.813 1.00 0.00 C ATOM 1093 C GLY A 70 12.488 19.408 -9.713 1.00 0.00 C ATOM 1094 O GLY A 70 12.088 19.277 -10.870 1.00 0.00 O ATOM 0 H GLY A 70 12.954 21.099 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.822 20.436 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.201 21.463 -9.190 1.00 0.00 H new TER 1098 GLY A 70