USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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 105 HIS : no HE2:sc= 0.803 K(o=3.8,f=-6!) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 2.23 K(o=3.8,f=-9.2!) USER MOD Set 1.3: A 111 SER OG : rot 138:sc= 0.782 USER MOD Set 2.1: A 101 GLN : amide:sc= 0.945 K(o=2.1,f=0.86) USER MOD Set 2.2: A 103 ASN : amide:sc= 1.11 K(o=2.1,f=0.86) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -169:sc= 2.25 (180deg=0.602) USER MOD Set 3.2: A 37 GLN : amide:sc= 1.06 K(o=3.3,f=-8) USER MOD Set 4.1: A 27 THR OG1 : rot -137:sc= 1.89 USER MOD Set 4.2: A 29 HIS : no HE2:sc= 1.1 K(o=4.9,f=0.2!) USER MOD Set 4.3: A 31 THR OG1 : rot -170:sc= 1.95 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -164:sc= 3.2 (180deg=1.62) USER MOD Set 5.2: A 68 ASN : amide:sc= 1 K(o=4.2,f=-8.5!) USER MOD Single : A 1 ILE N :NH3+ -165:sc= 1.86 (180deg=1.39) USER MOD Single : A 2 SER OG : rot 126:sc= 1.22 USER MOD Single : A 5 GLN : amide:sc= 0.926 K(o=0.93,f=-5.6!) USER MOD Single : A 9 THR OG1 : rot 59:sc= 0.456 USER MOD Single : A 10 THR OG1 : rot 138:sc= 2.01 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 1.32 (180deg=0.921) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00137 USER MOD Single : A 38 TYR OH : rot -11:sc= 1.18 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 3.52 (180deg=1.57) USER MOD Single : A 50 SER OG : rot -128:sc= 0.821 USER MOD Single : A 51 SER OG : rot 166:sc= 1.25 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 56 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.4!) USER MOD Single : A 59 THR OG1 : rot -0:sc= 0.868 USER MOD Single : A 66 THR OG1 : rot -150:sc= 0.961 USER MOD Single : A 72 SER OG : rot -25:sc= 0.874 USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000341 USER MOD Single : A 77 ASN : amide:sc= 0.996 K(o=1,f=-2.6!) USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= 1.25 (180deg=-0.998!) USER MOD Single : A 91 SER OG : rot -54:sc= 1.18 USER MOD Single : A 92 TYR OH : rot 116:sc= 0.982 USER MOD Single : A 100 GLN : amide:sc= 1.22 K(o=1.2,f=-0.19) USER MOD Single : A 104 HIS : no HE2:sc= 0.752 K(o=0.75,f=-3.3!) USER MOD Single : A 108 LYS NZ :NH3+ -143:sc= 2.36 (180deg=0.808) USER MOD Single : A 109 SER OG : rot -48:sc= 1.12 USER MOD Single : A 112 SER OG : rot -23:sc= 0.678 USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.436) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.513 9.427 13.066 1.00 0.00 N ATOM 2 CA ILE A 1 -0.903 9.003 12.977 1.00 0.00 C ATOM 3 C ILE A 1 -0.946 7.528 12.576 1.00 0.00 C ATOM 4 O ILE A 1 -0.120 7.109 11.772 1.00 0.00 O ATOM 5 CB ILE A 1 -1.689 9.872 11.965 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.575 11.383 12.294 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.173 9.453 11.931 1.00 0.00 C ATOM 8 CD1 ILE A 1 -2.096 12.299 11.179 1.00 0.00 C ATOM 0 H1 ILE A 1 0.573 10.332 13.575 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.060 8.705 13.578 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.902 9.542 12.108 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.380 9.136 13.948 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.246 9.707 10.983 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.129 11.589 13.210 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.531 11.625 12.492 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.710 10.074 11.214 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.249 8.407 11.633 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.610 9.581 12.921 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.984 13.340 11.481 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.526 12.122 10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.149 12.086 10.996 1.00 0.00 H new ATOM 22 N SER A 2 -1.894 6.747 13.107 1.00 0.00 N ATOM 23 CA SER A 2 -2.198 5.401 12.605 1.00 0.00 C ATOM 24 C SER A 2 -3.702 5.137 12.614 1.00 0.00 C ATOM 25 O SER A 2 -4.424 5.677 13.449 1.00 0.00 O ATOM 26 CB SER A 2 -1.480 4.339 13.449 1.00 0.00 C ATOM 27 OG SER A 2 -0.765 3.451 12.616 1.00 0.00 O ATOM 0 H SER A 2 -2.473 7.030 13.898 1.00 0.00 H new ATOM 0 HA SER A 2 -1.843 5.342 11.576 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.797 4.821 14.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.207 3.785 14.043 1.00 0.00 H new ATOM 0 HG SER A 2 0.171 3.415 12.903 1.00 0.00 H new ATOM 33 N GLU A 3 -4.156 4.267 11.710 1.00 0.00 N ATOM 34 CA GLU A 3 -5.521 3.749 11.623 1.00 0.00 C ATOM 35 C GLU A 3 -5.507 2.232 11.838 1.00 0.00 C ATOM 36 O GLU A 3 -4.893 1.488 11.071 1.00 0.00 O ATOM 37 CB GLU A 3 -6.198 4.155 10.297 1.00 0.00 C ATOM 38 CG GLU A 3 -5.564 3.641 8.991 1.00 0.00 C ATOM 39 CD GLU A 3 -4.179 4.238 8.741 1.00 0.00 C ATOM 40 OE1 GLU A 3 -4.125 5.349 8.175 1.00 0.00 O ATOM 41 OE2 GLU A 3 -3.165 3.641 9.176 1.00 0.00 O ATOM 0 H GLU A 3 -3.551 3.886 10.983 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.125 4.196 12.413 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.232 3.811 10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.225 5.244 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.486 2.555 9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.218 3.883 8.153 1.00 0.00 H new ATOM 48 N PHE A 4 -6.149 1.759 12.906 1.00 0.00 N ATOM 49 CA PHE A 4 -6.162 0.339 13.267 1.00 0.00 C ATOM 50 C PHE A 4 -6.888 -0.509 12.210 1.00 0.00 C ATOM 51 O PHE A 4 -6.409 -1.571 11.819 1.00 0.00 O ATOM 52 CB PHE A 4 -6.803 0.183 14.654 1.00 0.00 C ATOM 53 CG PHE A 4 -6.178 1.069 15.719 1.00 0.00 C ATOM 54 CD1 PHE A 4 -4.885 0.787 16.203 1.00 0.00 C ATOM 55 CD2 PHE A 4 -6.867 2.204 16.194 1.00 0.00 C ATOM 56 CE1 PHE A 4 -4.284 1.635 17.150 1.00 0.00 C ATOM 57 CE2 PHE A 4 -6.265 3.050 17.142 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.973 2.767 17.619 1.00 0.00 C ATOM 0 H PHE A 4 -6.677 2.351 13.548 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.137 -0.029 13.303 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.866 0.412 14.581 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.722 -0.858 14.967 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.354 -0.083 15.846 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.859 2.424 15.829 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.292 1.416 17.517 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.796 3.918 17.504 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.510 3.419 18.345 1.00 0.00 H new ATOM 68 N GLN A 5 -8.023 -0.013 11.709 1.00 0.00 N ATOM 69 CA GLN A 5 -8.942 -0.713 10.815 1.00 0.00 C ATOM 70 C GLN A 5 -8.325 -1.160 9.479 1.00 0.00 C ATOM 71 O GLN A 5 -8.738 -2.185 8.944 1.00 0.00 O ATOM 72 CB GLN A 5 -10.216 0.132 10.602 1.00 0.00 C ATOM 73 CG GLN A 5 -10.031 1.535 9.981 1.00 0.00 C ATOM 74 CD GLN A 5 -9.763 2.658 10.992 1.00 0.00 C ATOM 75 OE1 GLN A 5 -9.041 2.514 11.969 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.315 3.836 10.779 1.00 0.00 N ATOM 0 H GLN A 5 -8.338 0.932 11.928 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.202 -1.646 11.315 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.895 -0.434 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.709 0.251 11.567 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.202 1.497 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.926 1.785 9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.920 3.977 9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.137 4.607 11.423 1.00 0.00 H new ATOM 85 N LEU A 6 -7.319 -0.445 8.953 1.00 0.00 N ATOM 86 CA LEU A 6 -6.639 -0.825 7.708 1.00 0.00 C ATOM 87 C LEU A 6 -5.454 -1.778 7.932 1.00 0.00 C ATOM 88 O LEU A 6 -4.881 -2.266 6.960 1.00 0.00 O ATOM 89 CB LEU A 6 -6.222 0.434 6.914 1.00 0.00 C ATOM 90 CG LEU A 6 -6.888 0.527 5.528 1.00 0.00 C ATOM 91 CD1 LEU A 6 -6.567 1.882 4.889 1.00 0.00 C ATOM 92 CD2 LEU A 6 -6.429 -0.573 4.564 1.00 0.00 C ATOM 0 H LEU A 6 -6.956 0.409 9.377 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.357 -1.388 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.478 1.322 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.139 0.435 6.790 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.958 0.406 5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.040 1.943 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.945 2.683 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.488 1.985 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.935 -0.452 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.351 -0.502 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.674 -1.549 4.982 1.00 0.00 H new ATOM 104 N LYS A 7 -5.086 -2.085 9.190 1.00 0.00 N ATOM 105 CA LYS A 7 -3.911 -2.914 9.496 1.00 0.00 C ATOM 106 C LYS A 7 -4.062 -4.383 9.095 1.00 0.00 C ATOM 107 O LYS A 7 -3.063 -5.081 9.174 1.00 0.00 O ATOM 108 CB LYS A 7 -3.483 -2.780 10.976 1.00 0.00 C ATOM 109 CG LYS A 7 -3.061 -1.354 11.362 1.00 0.00 C ATOM 110 CD LYS A 7 -1.708 -0.911 10.764 1.00 0.00 C ATOM 111 CE LYS A 7 -1.598 0.610 10.578 1.00 0.00 C ATOM 112 NZ LYS A 7 -2.606 1.097 9.608 1.00 0.00 N ATOM 0 H LYS A 7 -5.593 -1.767 10.016 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.112 -2.516 8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.309 -3.092 11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.655 -3.461 11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.834 -0.658 11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.005 -1.285 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.902 -1.250 11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.567 -1.400 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.739 1.109 11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.598 0.867 10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.350 2.054 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.636 0.458 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.541 1.121 10.062 1.00 0.00 H new ATOM 126 N GLY A 8 -5.231 -4.852 8.634 1.00 0.00 N ATOM 127 CA GLY A 8 -5.450 -6.157 7.990 1.00 0.00 C ATOM 128 C GLY A 8 -4.843 -7.364 8.720 1.00 0.00 C ATOM 129 O GLY A 8 -3.844 -7.933 8.271 1.00 0.00 O ATOM 0 H GLY A 8 -6.090 -4.307 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.523 -6.317 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.037 -6.119 6.982 1.00 0.00 H new ATOM 133 N THR A 9 -5.438 -7.780 9.842 1.00 0.00 N ATOM 134 CA THR A 9 -5.035 -8.979 10.599 1.00 0.00 C ATOM 135 C THR A 9 -5.537 -10.262 9.916 1.00 0.00 C ATOM 136 O THR A 9 -6.376 -10.982 10.456 1.00 0.00 O ATOM 137 CB THR A 9 -5.514 -8.895 12.059 1.00 0.00 C ATOM 138 OG1 THR A 9 -6.919 -8.845 12.089 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.963 -7.665 12.785 1.00 0.00 C ATOM 0 H THR A 9 -6.227 -7.288 10.261 1.00 0.00 H new ATOM 0 HA THR A 9 -3.946 -9.019 10.610 1.00 0.00 H new ATOM 0 HB THR A 9 -5.143 -9.782 12.572 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.284 -9.644 11.655 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.331 -7.653 13.811 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.874 -7.703 12.790 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.292 -6.762 12.271 1.00 0.00 H new ATOM 147 N THR A 10 -5.037 -10.524 8.706 1.00 0.00 N ATOM 148 CA THR A 10 -5.370 -11.672 7.849 1.00 0.00 C ATOM 149 C THR A 10 -4.762 -12.993 8.323 1.00 0.00 C ATOM 150 O THR A 10 -5.318 -14.049 8.038 1.00 0.00 O ATOM 151 CB THR A 10 -4.850 -11.409 6.426 1.00 0.00 C ATOM 152 OG1 THR A 10 -3.532 -10.909 6.503 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.701 -10.384 5.678 1.00 0.00 C ATOM 0 H THR A 10 -4.350 -9.908 8.271 1.00 0.00 H new ATOM 0 HA THR A 10 -6.455 -11.771 7.886 1.00 0.00 H new ATOM 0 HB THR A 10 -4.893 -12.354 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.982 -11.327 5.807 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.293 -10.233 4.678 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.725 -10.748 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.692 -9.439 6.220 1.00 0.00 H new ATOM 161 N TYR A 11 -3.627 -12.939 9.027 1.00 0.00 N ATOM 162 CA TYR A 11 -2.860 -14.077 9.539 1.00 0.00 C ATOM 163 C TYR A 11 -2.264 -13.747 10.917 1.00 0.00 C ATOM 164 O TYR A 11 -2.303 -12.600 11.365 1.00 0.00 O ATOM 165 CB TYR A 11 -1.756 -14.454 8.524 1.00 0.00 C ATOM 166 CG TYR A 11 -2.169 -15.542 7.549 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.928 -15.221 6.408 1.00 0.00 C ATOM 168 CD2 TYR A 11 -1.824 -16.883 7.807 1.00 0.00 C ATOM 169 CE1 TYR A 11 -3.365 -16.236 5.535 1.00 0.00 C ATOM 170 CE2 TYR A 11 -2.255 -17.902 6.938 1.00 0.00 C ATOM 171 CZ TYR A 11 -3.034 -17.583 5.806 1.00 0.00 C ATOM 172 OH TYR A 11 -3.473 -18.576 4.987 1.00 0.00 O ATOM 0 H TYR A 11 -3.195 -12.047 9.268 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.522 -14.934 9.664 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.472 -13.564 7.962 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.871 -14.783 9.069 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.177 -14.191 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.228 -17.129 8.673 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.950 -15.986 4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.989 -18.930 7.138 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.153 -19.440 5.320 1.00 0.00 H new ATOM 182 N GLY A 12 -1.673 -14.754 11.575 1.00 0.00 N ATOM 183 CA GLY A 12 -0.886 -14.560 12.791 1.00 0.00 C ATOM 184 C GLY A 12 0.401 -13.765 12.532 1.00 0.00 C ATOM 185 O GLY A 12 0.997 -13.842 11.451 1.00 0.00 O ATOM 0 H GLY A 12 -1.730 -15.727 11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.490 -14.037 13.532 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.631 -15.531 13.215 1.00 0.00 H new ATOM 189 N VAL A 13 0.829 -13.002 13.546 1.00 0.00 N ATOM 190 CA VAL A 13 1.993 -12.111 13.474 1.00 0.00 C ATOM 191 C VAL A 13 3.312 -12.892 13.389 1.00 0.00 C ATOM 192 O VAL A 13 3.778 -13.489 14.363 1.00 0.00 O ATOM 193 CB VAL A 13 1.953 -11.019 14.563 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.974 -11.525 16.011 1.00 0.00 C ATOM 195 CG2 VAL A 13 3.091 -10.014 14.355 1.00 0.00 C ATOM 0 H VAL A 13 0.367 -12.987 14.455 1.00 0.00 H new ATOM 0 HA VAL A 13 1.939 -11.563 12.534 1.00 0.00 H new ATOM 0 HB VAL A 13 0.980 -10.544 14.436 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.943 -10.676 16.694 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.108 -12.163 16.186 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.886 -12.096 16.184 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.048 -9.250 15.132 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.048 -10.532 14.408 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.987 -9.543 13.377 1.00 0.00 H new ATOM 205 N CYS A 14 3.886 -12.903 12.183 1.00 0.00 N ATOM 206 CA CYS A 14 5.122 -13.581 11.796 1.00 0.00 C ATOM 207 C CYS A 14 5.714 -12.886 10.556 1.00 0.00 C ATOM 208 O CYS A 14 5.021 -12.155 9.852 1.00 0.00 O ATOM 209 CB CYS A 14 4.817 -15.085 11.583 1.00 0.00 C ATOM 210 SG CYS A 14 5.651 -15.967 10.224 1.00 0.00 S ATOM 0 H CYS A 14 3.469 -12.403 11.398 1.00 0.00 H new ATOM 0 HA CYS A 14 5.880 -13.517 12.577 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.058 -15.605 12.510 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.742 -15.185 11.431 1.00 0.00 H new ATOM 215 N SER A 15 6.996 -13.124 10.276 1.00 0.00 N ATOM 216 CA SER A 15 7.668 -12.693 9.043 1.00 0.00 C ATOM 217 C SER A 15 8.895 -13.551 8.740 1.00 0.00 C ATOM 218 O SER A 15 9.094 -13.957 7.598 1.00 0.00 O ATOM 219 CB SER A 15 8.089 -11.223 9.146 1.00 0.00 C ATOM 220 OG SER A 15 8.897 -10.995 10.289 1.00 0.00 O ATOM 0 H SER A 15 7.611 -13.632 10.911 1.00 0.00 H new ATOM 0 HA SER A 15 6.954 -12.813 8.228 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.637 -10.936 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.202 -10.591 9.194 1.00 0.00 H new ATOM 0 HG SER A 15 9.151 -10.049 10.327 1.00 0.00 H new ATOM 226 N LYS A 16 9.692 -13.841 9.780 1.00 0.00 N ATOM 227 CA LYS A 16 10.962 -14.576 9.777 1.00 0.00 C ATOM 228 C LYS A 16 12.037 -13.912 8.905 1.00 0.00 C ATOM 229 O LYS A 16 13.031 -13.414 9.425 1.00 0.00 O ATOM 230 CB LYS A 16 10.734 -16.059 9.407 1.00 0.00 C ATOM 231 CG LYS A 16 11.960 -16.930 9.746 1.00 0.00 C ATOM 232 CD LYS A 16 12.212 -18.056 8.734 1.00 0.00 C ATOM 233 CE LYS A 16 11.051 -19.052 8.652 1.00 0.00 C ATOM 234 NZ LYS A 16 11.294 -20.068 7.604 1.00 0.00 N ATOM 0 H LYS A 16 9.442 -13.541 10.722 1.00 0.00 H new ATOM 0 HA LYS A 16 11.356 -14.543 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.862 -16.436 9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.515 -16.138 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.844 -16.294 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.823 -17.366 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.382 -17.621 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.123 -18.588 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.921 -19.543 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.125 -18.519 8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.433 -20.635 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.545 -19.594 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.074 -20.690 7.898 1.00 0.00 H new ATOM 248 N ALA A 17 11.863 -13.939 7.585 1.00 0.00 N ATOM 249 CA ALA A 17 12.927 -13.728 6.617 1.00 0.00 C ATOM 250 C ALA A 17 12.887 -12.327 5.986 1.00 0.00 C ATOM 251 O ALA A 17 12.565 -12.164 4.811 1.00 0.00 O ATOM 252 CB ALA A 17 12.888 -14.869 5.596 1.00 0.00 C ATOM 0 H ALA A 17 10.955 -14.113 7.153 1.00 0.00 H new ATOM 0 HA ALA A 17 13.892 -13.754 7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.680 -14.727 4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.034 -15.820 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.922 -14.873 5.092 1.00 0.00 H new ATOM 258 N PHE A 18 13.304 -11.319 6.760 1.00 0.00 N ATOM 259 CA PHE A 18 13.708 -10.013 6.234 1.00 0.00 C ATOM 260 C PHE A 18 15.084 -9.604 6.768 1.00 0.00 C ATOM 261 O PHE A 18 15.536 -10.083 7.809 1.00 0.00 O ATOM 262 CB PHE A 18 12.679 -8.927 6.588 1.00 0.00 C ATOM 263 CG PHE A 18 11.395 -8.938 5.785 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.321 -8.259 4.553 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.249 -9.560 6.307 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.095 -8.167 3.871 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.023 -9.478 5.622 1.00 0.00 C ATOM 268 CZ PHE A 18 8.943 -8.769 4.411 1.00 0.00 C ATOM 0 H PHE A 18 13.371 -11.388 7.775 1.00 0.00 H new ATOM 0 HA PHE A 18 13.762 -10.108 5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.424 -9.027 7.643 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.152 -7.953 6.465 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.207 -7.808 4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.309 -10.104 7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.037 -7.635 2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.145 -9.959 6.026 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.998 -8.686 3.895 1.00 0.00 H new ATOM 278 N LYS A 19 15.711 -8.650 6.073 1.00 0.00 N ATOM 279 CA LYS A 19 16.862 -7.860 6.521 1.00 0.00 C ATOM 280 C LYS A 19 16.746 -6.443 5.935 1.00 0.00 C ATOM 281 O LYS A 19 16.239 -6.284 4.826 1.00 0.00 O ATOM 282 CB LYS A 19 18.141 -8.605 6.077 1.00 0.00 C ATOM 283 CG LYS A 19 19.375 -7.708 5.954 1.00 0.00 C ATOM 284 CD LYS A 19 20.639 -8.457 5.512 1.00 0.00 C ATOM 285 CE LYS A 19 21.792 -7.487 5.204 1.00 0.00 C ATOM 286 NZ LYS A 19 21.428 -6.492 4.161 1.00 0.00 N ATOM 0 H LYS A 19 15.413 -8.394 5.132 1.00 0.00 H new ATOM 0 HA LYS A 19 16.899 -7.749 7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.353 -9.400 6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.955 -9.083 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.166 -6.913 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.564 -7.230 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.945 -9.150 6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.418 -9.054 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.079 -6.965 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.663 -8.054 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.282 -5.984 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.004 -6.981 3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.744 -5.814 4.552 1.00 0.00 H new ATOM 300 N PHE A 20 17.266 -5.423 6.632 1.00 0.00 N ATOM 301 CA PHE A 20 17.470 -4.081 6.069 1.00 0.00 C ATOM 302 C PHE A 20 18.443 -4.124 4.875 1.00 0.00 C ATOM 303 O PHE A 20 19.575 -4.600 5.001 1.00 0.00 O ATOM 304 CB PHE A 20 18.033 -3.121 7.130 1.00 0.00 C ATOM 305 CG PHE A 20 17.065 -2.650 8.202 1.00 0.00 C ATOM 306 CD1 PHE A 20 16.204 -1.564 7.944 1.00 0.00 C ATOM 307 CD2 PHE A 20 17.089 -3.229 9.486 1.00 0.00 C ATOM 308 CE1 PHE A 20 15.377 -1.059 8.965 1.00 0.00 C ATOM 309 CE2 PHE A 20 16.263 -2.721 10.503 1.00 0.00 C ATOM 310 CZ PHE A 20 15.406 -1.638 10.244 1.00 0.00 C ATOM 0 H PHE A 20 17.558 -5.506 7.606 1.00 0.00 H new ATOM 0 HA PHE A 20 16.498 -3.722 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.874 -3.611 7.621 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.430 -2.243 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.179 -1.118 6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.743 -4.064 9.689 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.720 -0.226 8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.287 -3.165 11.487 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.771 -1.252 11.027 1.00 0.00 H new ATOM 320 N LEU A 21 18.016 -3.595 3.726 1.00 0.00 N ATOM 321 CA LEU A 21 18.885 -3.305 2.582 1.00 0.00 C ATOM 322 C LEU A 21 19.322 -1.828 2.644 1.00 0.00 C ATOM 323 O LEU A 21 20.506 -1.532 2.512 1.00 0.00 O ATOM 324 CB LEU A 21 18.133 -3.669 1.283 1.00 0.00 C ATOM 325 CG LEU A 21 18.983 -3.919 0.017 1.00 0.00 C ATOM 326 CD1 LEU A 21 20.014 -2.838 -0.306 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.718 -5.261 0.059 1.00 0.00 C ATOM 0 H LEU A 21 17.039 -3.352 3.561 1.00 0.00 H new ATOM 0 HA LEU A 21 19.795 -3.904 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.543 -4.565 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.430 -2.865 1.064 1.00 0.00 H new ATOM 0 HG LEU A 21 18.232 -3.909 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.555 -3.111 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.507 -1.886 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.716 -2.746 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.300 -5.386 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.385 -5.283 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.993 -6.071 0.141 1.00 0.00 H new ATOM 339 N GLY A 22 18.378 -0.917 2.916 1.00 0.00 N ATOM 340 CA GLY A 22 18.578 0.526 3.018 1.00 0.00 C ATOM 341 C GLY A 22 17.788 1.103 4.194 1.00 0.00 C ATOM 342 O GLY A 22 16.565 0.988 4.243 1.00 0.00 O ATOM 0 H GLY A 22 17.407 -1.185 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.639 0.742 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.264 1.007 2.092 1.00 0.00 H new ATOM 346 N THR A 23 18.490 1.706 5.154 1.00 0.00 N ATOM 347 CA THR A 23 17.926 2.309 6.373 1.00 0.00 C ATOM 348 C THR A 23 16.889 3.404 6.075 1.00 0.00 C ATOM 349 O THR A 23 16.984 4.048 5.029 1.00 0.00 O ATOM 350 CB THR A 23 19.067 2.917 7.205 1.00 0.00 C ATOM 351 OG1 THR A 23 19.866 3.744 6.386 1.00 0.00 O ATOM 352 CG2 THR A 23 19.952 1.826 7.807 1.00 0.00 C ATOM 0 H THR A 23 19.505 1.794 5.107 1.00 0.00 H new ATOM 0 HA THR A 23 17.414 1.516 6.919 1.00 0.00 H new ATOM 0 HB THR A 23 18.620 3.498 8.012 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.591 4.131 6.920 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.750 2.285 8.390 1.00 0.00 H new ATOM 0 HG22 THR A 23 19.352 1.187 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.386 1.227 7.007 1.00 0.00 H new ATOM 360 N PRO A 24 15.949 3.689 7.002 1.00 0.00 N ATOM 361 CA PRO A 24 14.902 4.688 6.788 1.00 0.00 C ATOM 362 C PRO A 24 15.484 6.094 6.559 1.00 0.00 C ATOM 363 O PRO A 24 16.356 6.542 7.305 1.00 0.00 O ATOM 364 CB PRO A 24 13.995 4.616 8.023 1.00 0.00 C ATOM 365 CG PRO A 24 14.880 4.003 9.103 1.00 0.00 C ATOM 366 CD PRO A 24 15.807 3.078 8.319 1.00 0.00 C ATOM 0 HA PRO A 24 14.334 4.480 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.639 5.604 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.114 4.003 7.835 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.439 4.766 9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.293 3.454 9.839 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.774 2.982 8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.387 2.075 8.243 1.00 0.00 H new ATOM 374 N ALA A 25 14.983 6.797 5.537 1.00 0.00 N ATOM 375 CA ALA A 25 15.409 8.137 5.128 1.00 0.00 C ATOM 376 C ALA A 25 14.195 8.999 4.734 1.00 0.00 C ATOM 377 O ALA A 25 13.360 8.549 3.948 1.00 0.00 O ATOM 378 CB ALA A 25 16.390 7.979 3.960 1.00 0.00 C ATOM 0 H ALA A 25 14.236 6.430 4.947 1.00 0.00 H new ATOM 0 HA ALA A 25 15.901 8.650 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.726 8.962 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.249 7.391 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.893 7.471 3.134 1.00 0.00 H new ATOM 384 N ASP A 26 14.054 10.204 5.311 1.00 0.00 N ATOM 385 CA ASP A 26 12.858 11.036 5.104 1.00 0.00 C ATOM 386 C ASP A 26 12.729 11.527 3.647 1.00 0.00 C ATOM 387 O ASP A 26 13.691 12.005 3.045 1.00 0.00 O ATOM 388 CB ASP A 26 12.780 12.190 6.120 1.00 0.00 C ATOM 389 CG ASP A 26 11.360 12.780 6.251 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.842 13.325 5.249 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.795 12.707 7.371 1.00 0.00 O ATOM 0 H ASP A 26 14.753 10.623 5.924 1.00 0.00 H new ATOM 0 HA ASP A 26 11.994 10.397 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.111 11.832 7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.470 12.979 5.820 1.00 0.00 H new ATOM 396 N THR A 27 11.526 11.398 3.086 1.00 0.00 N ATOM 397 CA THR A 27 11.147 11.757 1.713 1.00 0.00 C ATOM 398 C THR A 27 10.898 13.249 1.492 1.00 0.00 C ATOM 399 O THR A 27 10.906 13.696 0.347 1.00 0.00 O ATOM 400 CB THR A 27 9.818 11.075 1.358 1.00 0.00 C ATOM 401 OG1 THR A 27 8.849 11.433 2.323 1.00 0.00 O ATOM 402 CG2 THR A 27 9.943 9.561 1.312 1.00 0.00 C ATOM 0 H THR A 27 10.738 11.016 3.609 1.00 0.00 H new ATOM 0 HA THR A 27 11.992 11.442 1.100 1.00 0.00 H new ATOM 0 HB THR A 27 9.523 11.411 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.329 10.641 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.978 9.124 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.679 9.279 0.559 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.262 9.192 2.287 1.00 0.00 H new ATOM 410 N GLY A 28 10.581 14.004 2.549 1.00 0.00 N ATOM 411 CA GLY A 28 9.929 15.306 2.432 1.00 0.00 C ATOM 412 C GLY A 28 8.400 15.238 2.264 1.00 0.00 C ATOM 413 O GLY A 28 7.749 16.271 2.390 1.00 0.00 O ATOM 0 H GLY A 28 10.771 13.725 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.159 15.895 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.353 15.836 1.579 1.00 0.00 H new ATOM 417 N HIS A 29 7.794 14.052 2.068 1.00 0.00 N ATOM 418 CA HIS A 29 6.339 13.854 2.209 1.00 0.00 C ATOM 419 C HIS A 29 5.900 13.899 3.689 1.00 0.00 C ATOM 420 O HIS A 29 4.706 13.862 3.981 1.00 0.00 O ATOM 421 CB HIS A 29 5.875 12.491 1.640 1.00 0.00 C ATOM 422 CG HIS A 29 6.442 12.003 0.325 1.00 0.00 C ATOM 423 ND1 HIS A 29 6.573 10.677 -0.043 1.00 0.00 N ATOM 424 CD2 HIS A 29 6.873 12.766 -0.728 1.00 0.00 C ATOM 425 CE1 HIS A 29 7.078 10.649 -1.286 1.00 0.00 C ATOM 426 NE2 HIS A 29 7.279 11.895 -1.744 1.00 0.00 N ATOM 0 H HIS A 29 8.299 13.205 1.808 1.00 0.00 H new ATOM 0 HA HIS A 29 5.882 14.668 1.647 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.092 11.732 2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.791 12.533 1.533 1.00 0.00 H new ATOM 0 HD1 HIS A 29 6.330 9.867 0.527 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.895 13.845 -0.767 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.293 9.748 -1.842 1.00 0.00 H new ATOM 434 N GLY A 30 6.862 13.898 4.624 1.00 0.00 N ATOM 435 CA GLY A 30 6.662 13.606 6.043 1.00 0.00 C ATOM 436 C GLY A 30 6.962 12.144 6.408 1.00 0.00 C ATOM 437 O GLY A 30 6.853 11.786 7.580 1.00 0.00 O ATOM 0 H GLY A 30 7.834 14.109 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.301 14.260 6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.632 13.837 6.313 1.00 0.00 H new ATOM 441 N THR A 31 7.354 11.315 5.438 1.00 0.00 N ATOM 442 CA THR A 31 7.505 9.854 5.530 1.00 0.00 C ATOM 443 C THR A 31 8.976 9.445 5.422 1.00 0.00 C ATOM 444 O THR A 31 9.790 10.223 4.938 1.00 0.00 O ATOM 445 CB THR A 31 6.707 9.189 4.393 1.00 0.00 C ATOM 446 OG1 THR A 31 7.245 9.590 3.154 1.00 0.00 O ATOM 447 CG2 THR A 31 5.224 9.571 4.435 1.00 0.00 C ATOM 0 H THR A 31 7.590 11.663 4.509 1.00 0.00 H new ATOM 0 HA THR A 31 7.127 9.527 6.499 1.00 0.00 H new ATOM 0 HB THR A 31 6.783 8.109 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.647 9.308 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.699 9.080 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.793 9.253 5.385 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.124 10.652 4.335 1.00 0.00 H new ATOM 455 N VAL A 32 9.328 8.211 5.805 1.00 0.00 N ATOM 456 CA VAL A 32 10.640 7.602 5.531 1.00 0.00 C ATOM 457 C VAL A 32 10.515 6.537 4.449 1.00 0.00 C ATOM 458 O VAL A 32 9.734 5.601 4.611 1.00 0.00 O ATOM 459 CB VAL A 32 11.322 6.994 6.778 1.00 0.00 C ATOM 460 CG1 VAL A 32 12.001 8.085 7.611 1.00 0.00 C ATOM 461 CG2 VAL A 32 10.406 6.153 7.680 1.00 0.00 C ATOM 0 H VAL A 32 8.700 7.596 6.323 1.00 0.00 H new ATOM 0 HA VAL A 32 11.279 8.417 5.192 1.00 0.00 H new ATOM 0 HB VAL A 32 12.060 6.300 6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.474 7.635 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.757 8.587 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.256 8.811 7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.978 5.772 8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.587 6.773 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.002 5.317 7.109 1.00 0.00 H new ATOM 471 N VAL A 33 11.313 6.650 3.380 1.00 0.00 N ATOM 472 CA VAL A 33 11.617 5.516 2.497 1.00 0.00 C ATOM 473 C VAL A 33 12.646 4.611 3.177 1.00 0.00 C ATOM 474 O VAL A 33 13.650 5.086 3.705 1.00 0.00 O ATOM 475 CB VAL A 33 12.111 5.935 1.097 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.915 6.275 0.204 1.00 0.00 C ATOM 477 CG2 VAL A 33 13.114 7.096 1.074 1.00 0.00 C ATOM 0 H VAL A 33 11.763 7.523 3.104 1.00 0.00 H new ATOM 0 HA VAL A 33 10.683 4.979 2.333 1.00 0.00 H new ATOM 0 HB VAL A 33 12.658 5.071 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.270 6.570 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.270 5.401 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.352 7.096 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.398 7.312 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.657 7.981 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.001 6.822 1.645 1.00 0.00 H new ATOM 487 N LEU A 34 12.366 3.310 3.183 1.00 0.00 N ATOM 488 CA LEU A 34 13.074 2.259 3.908 1.00 0.00 C ATOM 489 C LEU A 34 13.122 1.024 2.995 1.00 0.00 C ATOM 490 O LEU A 34 12.074 0.559 2.545 1.00 0.00 O ATOM 491 CB LEU A 34 12.270 2.018 5.204 1.00 0.00 C ATOM 492 CG LEU A 34 12.931 1.180 6.313 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.923 1.009 7.454 1.00 0.00 C ATOM 494 CD2 LEU A 34 13.386 -0.205 5.858 1.00 0.00 C ATOM 0 H LEU A 34 11.584 2.937 2.644 1.00 0.00 H new ATOM 0 HA LEU A 34 14.101 2.512 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.015 2.990 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.333 1.533 4.931 1.00 0.00 H new ATOM 0 HG LEU A 34 13.827 1.718 6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.373 0.417 8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.644 1.988 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.034 0.500 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.841 -0.732 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.526 -0.770 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.116 -0.103 5.055 1.00 0.00 H new ATOM 506 N GLU A 35 14.309 0.489 2.690 1.00 0.00 N ATOM 507 CA GLU A 35 14.448 -0.715 1.866 1.00 0.00 C ATOM 508 C GLU A 35 14.802 -1.943 2.706 1.00 0.00 C ATOM 509 O GLU A 35 15.759 -1.929 3.485 1.00 0.00 O ATOM 510 CB GLU A 35 15.469 -0.516 0.733 1.00 0.00 C ATOM 511 CG GLU A 35 15.153 -1.516 -0.386 1.00 0.00 C ATOM 512 CD GLU A 35 16.069 -1.431 -1.597 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.304 -1.550 -1.436 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.555 -1.346 -2.738 1.00 0.00 O ATOM 0 H GLU A 35 15.197 0.877 3.007 1.00 0.00 H new ATOM 0 HA GLU A 35 13.474 -0.895 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.420 0.505 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.482 -0.670 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.207 -2.525 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.125 -1.359 -0.714 1.00 0.00 H new ATOM 521 N LEU A 36 14.070 -3.038 2.485 1.00 0.00 N ATOM 522 CA LEU A 36 14.405 -4.350 3.027 1.00 0.00 C ATOM 523 C LEU A 36 14.616 -5.353 1.888 1.00 0.00 C ATOM 524 O LEU A 36 14.214 -5.134 0.744 1.00 0.00 O ATOM 525 CB LEU A 36 13.327 -4.828 4.022 1.00 0.00 C ATOM 526 CG LEU A 36 13.084 -3.871 5.212 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.692 -3.238 5.108 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.186 -4.592 6.559 1.00 0.00 C ATOM 0 H LEU A 36 13.221 -3.035 1.919 1.00 0.00 H new ATOM 0 HA LEU A 36 15.340 -4.273 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.389 -4.964 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.616 -5.804 4.410 1.00 0.00 H new ATOM 0 HG LEU A 36 13.858 -3.105 5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.534 -2.566 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.617 -2.675 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.934 -4.021 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.008 -3.882 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.441 -5.386 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.182 -5.022 6.667 1.00 0.00 H new ATOM 540 N GLN A 37 15.217 -6.489 2.227 1.00 0.00 N ATOM 541 CA GLN A 37 15.274 -7.667 1.376 1.00 0.00 C ATOM 542 C GLN A 37 14.640 -8.849 2.101 1.00 0.00 C ATOM 543 O GLN A 37 14.835 -9.028 3.306 1.00 0.00 O ATOM 544 CB GLN A 37 16.712 -7.935 0.911 1.00 0.00 C ATOM 545 CG GLN A 37 17.664 -8.358 2.046 1.00 0.00 C ATOM 546 CD GLN A 37 19.129 -8.405 1.626 1.00 0.00 C ATOM 547 OE1 GLN A 37 19.992 -7.792 2.244 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.473 -9.138 0.584 1.00 0.00 N ATOM 0 H GLN A 37 15.688 -6.617 3.123 1.00 0.00 H new ATOM 0 HA GLN A 37 14.696 -7.499 0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.698 -8.716 0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.104 -7.035 0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.555 -7.663 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.367 -9.341 2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.761 -9.651 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.451 -9.191 0.298 1.00 0.00 H new ATOM 557 N TYR A 38 13.869 -9.636 1.355 1.00 0.00 N ATOM 558 CA TYR A 38 13.183 -10.824 1.832 1.00 0.00 C ATOM 559 C TYR A 38 14.129 -12.031 1.746 1.00 0.00 C ATOM 560 O TYR A 38 14.385 -12.565 0.668 1.00 0.00 O ATOM 561 CB TYR A 38 11.912 -10.998 1.006 1.00 0.00 C ATOM 562 CG TYR A 38 10.936 -11.983 1.607 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.111 -13.369 1.443 1.00 0.00 C ATOM 564 CD2 TYR A 38 9.862 -11.494 2.370 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.220 -14.268 2.060 1.00 0.00 C ATOM 566 CE2 TYR A 38 8.979 -12.383 2.999 1.00 0.00 C ATOM 567 CZ TYR A 38 9.158 -13.772 2.847 1.00 0.00 C ATOM 568 OH TYR A 38 8.304 -14.620 3.469 1.00 0.00 O ATOM 0 H TYR A 38 13.702 -9.453 0.366 1.00 0.00 H new ATOM 0 HA TYR A 38 12.894 -10.731 2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.421 -10.031 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.182 -11.331 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.928 -13.743 0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.716 -10.429 2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.348 -15.333 1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.164 -12.004 3.598 1.00 0.00 H new ATOM 0 HH TYR A 38 8.450 -15.531 3.140 1.00 0.00 H new ATOM 578 N THR A 39 14.713 -12.425 2.879 1.00 0.00 N ATOM 579 CA THR A 39 15.902 -13.291 2.968 1.00 0.00 C ATOM 580 C THR A 39 15.624 -14.798 2.875 1.00 0.00 C ATOM 581 O THR A 39 16.513 -15.593 3.177 1.00 0.00 O ATOM 582 CB THR A 39 16.698 -12.966 4.251 1.00 0.00 C ATOM 583 OG1 THR A 39 15.855 -12.877 5.378 1.00 0.00 O ATOM 584 CG2 THR A 39 17.415 -11.624 4.130 1.00 0.00 C ATOM 0 H THR A 39 14.363 -12.143 3.795 1.00 0.00 H new ATOM 0 HA THR A 39 16.493 -13.062 2.081 1.00 0.00 H new ATOM 0 HB THR A 39 17.413 -13.779 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.391 -12.672 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.967 -11.422 5.048 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.108 -11.656 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.683 -10.834 3.966 1.00 0.00 H new ATOM 592 N GLY A 40 14.419 -15.217 2.467 1.00 0.00 N ATOM 593 CA GLY A 40 14.011 -16.624 2.477 1.00 0.00 C ATOM 594 C GLY A 40 13.009 -17.004 1.388 1.00 0.00 C ATOM 595 O GLY A 40 12.565 -16.171 0.596 1.00 0.00 O ATOM 0 H GLY A 40 13.698 -14.585 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.899 -17.247 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.576 -16.856 3.449 1.00 0.00 H new ATOM 599 N THR A 41 12.659 -18.292 1.369 1.00 0.00 N ATOM 600 CA THR A 41 11.801 -18.954 0.369 1.00 0.00 C ATOM 601 C THR A 41 10.423 -19.348 0.918 1.00 0.00 C ATOM 602 O THR A 41 9.639 -19.967 0.206 1.00 0.00 O ATOM 603 CB THR A 41 12.517 -20.199 -0.184 1.00 0.00 C ATOM 604 OG1 THR A 41 12.896 -21.049 0.878 1.00 0.00 O ATOM 605 CG2 THR A 41 13.778 -19.834 -0.971 1.00 0.00 C ATOM 0 H THR A 41 12.981 -18.941 2.087 1.00 0.00 H new ATOM 0 HA THR A 41 11.626 -18.229 -0.426 1.00 0.00 H new ATOM 0 HB THR A 41 11.815 -20.698 -0.852 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.349 -21.840 0.518 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.251 -20.743 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.510 -19.195 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.473 -19.304 -0.320 1.00 0.00 H new ATOM 613 N ASP A 42 10.127 -19.011 2.177 1.00 0.00 N ATOM 614 CA ASP A 42 8.857 -19.235 2.865 1.00 0.00 C ATOM 615 C ASP A 42 8.454 -17.994 3.686 1.00 0.00 C ATOM 616 O ASP A 42 9.132 -16.967 3.634 1.00 0.00 O ATOM 617 CB ASP A 42 8.957 -20.503 3.731 1.00 0.00 C ATOM 618 CG ASP A 42 9.756 -20.312 5.026 1.00 0.00 C ATOM 619 OD1 ASP A 42 10.845 -19.689 5.012 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.281 -20.785 6.084 1.00 0.00 O ATOM 0 H ASP A 42 10.810 -18.547 2.776 1.00 0.00 H new ATOM 0 HA ASP A 42 8.067 -19.393 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.951 -20.839 3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.420 -21.296 3.144 1.00 0.00 H new ATOM 625 N GLY A 43 7.342 -18.076 4.429 1.00 0.00 N ATOM 626 CA GLY A 43 6.847 -17.015 5.314 1.00 0.00 C ATOM 627 C GLY A 43 5.512 -16.319 4.973 1.00 0.00 C ATOM 628 O GLY A 43 5.394 -15.163 5.376 1.00 0.00 O ATOM 0 H GLY A 43 6.747 -18.904 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.752 -17.438 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.616 -16.244 5.366 1.00 0.00 H new ATOM 632 N PRO A 44 4.500 -16.929 4.301 1.00 0.00 N ATOM 633 CA PRO A 44 3.116 -16.426 4.294 1.00 0.00 C ATOM 634 C PRO A 44 2.588 -16.095 5.706 1.00 0.00 C ATOM 635 O PRO A 44 2.159 -16.984 6.440 1.00 0.00 O ATOM 636 CB PRO A 44 2.265 -17.497 3.594 1.00 0.00 C ATOM 637 CG PRO A 44 3.268 -18.219 2.707 1.00 0.00 C ATOM 638 CD PRO A 44 4.564 -18.154 3.513 1.00 0.00 C ATOM 0 HA PRO A 44 3.065 -15.477 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.802 -18.175 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.459 -17.052 3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.966 -19.248 2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.372 -17.731 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.663 -19.026 4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.431 -18.146 2.853 1.00 0.00 H new ATOM 646 N CYS A 45 2.668 -14.823 6.110 1.00 0.00 N ATOM 647 CA CYS A 45 2.502 -14.369 7.490 1.00 0.00 C ATOM 648 C CYS A 45 2.172 -12.868 7.576 1.00 0.00 C ATOM 649 O CYS A 45 2.293 -12.110 6.611 1.00 0.00 O ATOM 650 CB CYS A 45 3.802 -14.614 8.274 1.00 0.00 C ATOM 651 SG CYS A 45 4.158 -16.284 8.867 1.00 0.00 S ATOM 0 H CYS A 45 2.856 -14.058 5.462 1.00 0.00 H new ATOM 0 HA CYS A 45 1.671 -14.933 7.912 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.633 -14.304 7.640 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.796 -13.951 9.139 1.00 0.00 H new ATOM 656 N LYS A 46 1.794 -12.407 8.773 1.00 0.00 N ATOM 657 CA LYS A 46 1.411 -11.022 9.045 1.00 0.00 C ATOM 658 C LYS A 46 2.606 -10.233 9.618 1.00 0.00 C ATOM 659 O LYS A 46 2.847 -10.270 10.822 1.00 0.00 O ATOM 660 CB LYS A 46 0.161 -11.102 9.938 1.00 0.00 C ATOM 661 CG LYS A 46 -0.735 -9.873 9.893 1.00 0.00 C ATOM 662 CD LYS A 46 -0.153 -8.704 10.698 1.00 0.00 C ATOM 663 CE LYS A 46 -1.115 -7.521 10.691 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.439 -7.134 9.306 1.00 0.00 N ATOM 0 H LYS A 46 1.746 -13.004 9.599 1.00 0.00 H new ATOM 0 HA LYS A 46 1.150 -10.454 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.425 -11.972 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.477 -11.266 10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.875 -9.565 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.719 -10.128 10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.037 -9.020 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.805 -8.404 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.028 -7.783 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.668 -6.677 11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.752 -6.142 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.595 -7.242 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.200 -7.744 8.944 1.00 0.00 H new ATOM 678 N VAL A 47 3.378 -9.563 8.746 1.00 0.00 N ATOM 679 CA VAL A 47 4.695 -8.965 9.058 1.00 0.00 C ATOM 680 C VAL A 47 4.659 -7.855 10.122 1.00 0.00 C ATOM 681 O VAL A 47 4.120 -6.784 9.867 1.00 0.00 O ATOM 682 CB VAL A 47 5.464 -8.496 7.799 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.632 -7.674 6.805 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.743 -7.705 8.127 1.00 0.00 C ATOM 0 H VAL A 47 3.099 -9.416 7.776 1.00 0.00 H new ATOM 0 HA VAL A 47 5.250 -9.792 9.501 1.00 0.00 H new ATOM 0 HB VAL A 47 5.727 -9.439 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.255 -7.391 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.790 -8.271 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.260 -6.776 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.234 -7.406 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.484 -6.817 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.419 -8.331 8.710 1.00 0.00 H new ATOM 694 N PRO A 48 5.297 -8.036 11.292 1.00 0.00 N ATOM 695 CA PRO A 48 5.473 -6.963 12.263 1.00 0.00 C ATOM 696 C PRO A 48 6.538 -5.947 11.808 1.00 0.00 C ATOM 697 O PRO A 48 7.727 -6.099 12.086 1.00 0.00 O ATOM 698 CB PRO A 48 5.859 -7.671 13.558 1.00 0.00 C ATOM 699 CG PRO A 48 6.645 -8.878 13.049 1.00 0.00 C ATOM 700 CD PRO A 48 5.908 -9.264 11.778 1.00 0.00 C ATOM 0 HA PRO A 48 4.568 -6.369 12.387 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.464 -7.035 14.204 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.983 -7.970 14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.686 -8.625 12.849 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.648 -9.691 13.775 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.593 -9.680 11.039 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.154 -10.025 11.978 1.00 0.00 H new ATOM 708 N ILE A 49 6.103 -4.879 11.137 1.00 0.00 N ATOM 709 CA ILE A 49 6.873 -3.641 10.967 1.00 0.00 C ATOM 710 C ILE A 49 5.998 -2.458 11.396 1.00 0.00 C ATOM 711 O ILE A 49 4.804 -2.441 11.100 1.00 0.00 O ATOM 712 CB ILE A 49 7.466 -3.522 9.545 1.00 0.00 C ATOM 713 CG1 ILE A 49 8.368 -2.271 9.458 1.00 0.00 C ATOM 714 CG2 ILE A 49 6.393 -3.472 8.448 1.00 0.00 C ATOM 715 CD1 ILE A 49 9.262 -2.239 8.210 1.00 0.00 C ATOM 0 H ILE A 49 5.188 -4.848 10.687 1.00 0.00 H new ATOM 0 HA ILE A 49 7.750 -3.648 11.614 1.00 0.00 H new ATOM 0 HB ILE A 49 8.053 -4.423 9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.740 -1.380 9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.998 -2.226 10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.873 -3.388 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.796 -4.383 8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.747 -2.609 8.610 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.866 -1.332 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.916 -3.111 8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.639 -2.252 7.316 1.00 0.00 H new ATOM 727 N SER A 50 6.571 -1.517 12.153 1.00 0.00 N ATOM 728 CA SER A 50 5.820 -0.547 12.958 1.00 0.00 C ATOM 729 C SER A 50 6.540 0.805 13.102 1.00 0.00 C ATOM 730 O SER A 50 7.733 0.915 12.825 1.00 0.00 O ATOM 731 CB SER A 50 5.602 -1.199 14.324 1.00 0.00 C ATOM 732 OG SER A 50 4.944 -0.344 15.229 1.00 0.00 O ATOM 0 H SER A 50 7.582 -1.406 12.225 1.00 0.00 H new ATOM 0 HA SER A 50 4.877 -0.312 12.464 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.017 -2.110 14.199 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.565 -1.493 14.741 1.00 0.00 H new ATOM 0 HG SER A 50 5.459 -0.290 16.061 1.00 0.00 H new ATOM 738 N SER A 51 5.803 1.829 13.553 1.00 0.00 N ATOM 739 CA SER A 51 6.236 3.221 13.722 1.00 0.00 C ATOM 740 C SER A 51 5.648 3.818 15.008 1.00 0.00 C ATOM 741 O SER A 51 4.426 3.954 15.139 1.00 0.00 O ATOM 742 CB SER A 51 5.813 4.047 12.501 1.00 0.00 C ATOM 743 OG SER A 51 6.232 5.388 12.656 1.00 0.00 O ATOM 0 H SER A 51 4.829 1.699 13.826 1.00 0.00 H new ATOM 0 HA SER A 51 7.323 3.245 13.806 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.249 3.623 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.730 4.007 12.382 1.00 0.00 H new ATOM 0 HG SER A 51 6.164 5.853 11.796 1.00 0.00 H new ATOM 749 N VAL A 52 6.510 4.163 15.973 1.00 0.00 N ATOM 750 CA VAL A 52 6.128 4.734 17.277 1.00 0.00 C ATOM 751 C VAL A 52 7.051 5.890 17.700 1.00 0.00 C ATOM 752 O VAL A 52 8.015 6.201 17.005 1.00 0.00 O ATOM 753 CB VAL A 52 6.027 3.638 18.359 1.00 0.00 C ATOM 754 CG1 VAL A 52 4.894 2.652 18.072 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.333 2.863 18.554 1.00 0.00 C ATOM 0 H VAL A 52 7.518 4.051 15.869 1.00 0.00 H new ATOM 0 HA VAL A 52 5.134 5.167 17.163 1.00 0.00 H new ATOM 0 HB VAL A 52 5.811 4.173 19.284 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.860 1.898 18.859 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.945 3.187 18.041 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.069 2.167 17.112 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.196 2.108 19.328 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.611 2.378 17.618 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.123 3.551 18.855 1.00 0.00 H new ATOM 765 N ALA A 53 6.752 6.556 18.826 1.00 0.00 N ATOM 766 CA ALA A 53 7.430 7.786 19.261 1.00 0.00 C ATOM 767 C ALA A 53 8.501 7.574 20.349 1.00 0.00 C ATOM 768 O ALA A 53 9.334 8.443 20.595 1.00 0.00 O ATOM 769 CB ALA A 53 6.362 8.766 19.757 1.00 0.00 C ATOM 0 H ALA A 53 6.022 6.250 19.469 1.00 0.00 H new ATOM 0 HA ALA A 53 7.973 8.178 18.401 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.840 9.689 20.086 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.666 8.986 18.947 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.819 8.321 20.591 1.00 0.00 H new ATOM 775 N SER A 54 8.484 6.442 21.058 1.00 0.00 N ATOM 776 CA SER A 54 9.414 6.150 22.162 1.00 0.00 C ATOM 777 C SER A 54 9.685 4.647 22.290 1.00 0.00 C ATOM 778 O SER A 54 9.852 4.128 23.391 1.00 0.00 O ATOM 779 CB SER A 54 8.867 6.754 23.463 1.00 0.00 C ATOM 780 OG SER A 54 8.774 8.160 23.319 1.00 0.00 O ATOM 0 H SER A 54 7.817 5.691 20.882 1.00 0.00 H new ATOM 0 HA SER A 54 10.377 6.612 21.947 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.887 6.334 23.690 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.522 6.504 24.298 1.00 0.00 H new ATOM 0 HG SER A 54 8.424 8.551 24.146 1.00 0.00 H new ATOM 786 N LEU A 55 9.670 3.933 21.152 1.00 0.00 N ATOM 787 CA LEU A 55 9.789 2.469 21.037 1.00 0.00 C ATOM 788 C LEU A 55 8.641 1.700 21.738 1.00 0.00 C ATOM 789 O LEU A 55 8.667 0.477 21.851 1.00 0.00 O ATOM 790 CB LEU A 55 11.227 2.041 21.423 1.00 0.00 C ATOM 791 CG LEU A 55 11.939 1.187 20.349 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.434 1.513 20.305 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.777 -0.313 20.606 1.00 0.00 C ATOM 0 H LEU A 55 9.570 4.383 20.242 1.00 0.00 H new ATOM 0 HA LEU A 55 9.647 2.174 19.997 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.822 2.934 21.615 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.189 1.477 22.355 1.00 0.00 H new ATOM 0 HG LEU A 55 11.470 1.432 19.396 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.917 0.902 19.543 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.570 2.567 20.064 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.881 1.302 21.277 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.293 -0.874 19.827 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.204 -0.564 21.577 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.718 -0.571 20.598 1.00 0.00 H new ATOM 805 N ASN A 56 7.586 2.425 22.134 1.00 0.00 N ATOM 806 CA ASN A 56 6.319 2.001 22.732 1.00 0.00 C ATOM 807 C ASN A 56 5.418 1.184 21.774 1.00 0.00 C ATOM 808 O ASN A 56 4.232 1.480 21.610 1.00 0.00 O ATOM 809 CB ASN A 56 5.631 3.280 23.254 1.00 0.00 C ATOM 810 CG ASN A 56 5.295 4.279 22.148 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.133 5.056 21.706 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.077 4.252 21.649 1.00 0.00 N ATOM 0 H ASN A 56 7.606 3.439 22.029 1.00 0.00 H new ATOM 0 HA ASN A 56 6.511 1.303 23.547 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.715 3.004 23.776 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.281 3.762 23.984 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.824 4.882 20.887 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.387 3.601 22.024 1.00 0.00 H new ATOM 819 N ASP A 57 5.977 0.146 21.145 1.00 0.00 N ATOM 820 CA ASP A 57 5.395 -0.591 20.012 1.00 0.00 C ATOM 821 C ASP A 57 4.020 -1.241 20.276 1.00 0.00 C ATOM 822 O ASP A 57 3.309 -1.604 19.343 1.00 0.00 O ATOM 823 CB ASP A 57 6.425 -1.614 19.512 1.00 0.00 C ATOM 824 CG ASP A 57 6.186 -1.992 18.050 1.00 0.00 C ATOM 825 OD1 ASP A 57 5.881 -1.064 17.263 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.354 -3.182 17.716 1.00 0.00 O ATOM 0 H ASP A 57 6.887 -0.222 21.421 1.00 0.00 H new ATOM 0 HA ASP A 57 5.175 0.146 19.239 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.428 -1.203 19.622 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.378 -2.510 20.131 1.00 0.00 H new ATOM 831 N LEU A 58 3.599 -1.296 21.543 1.00 0.00 N ATOM 832 CA LEU A 58 2.253 -1.632 22.017 1.00 0.00 C ATOM 833 C LEU A 58 1.108 -0.771 21.431 1.00 0.00 C ATOM 834 O LEU A 58 -0.065 -1.112 21.596 1.00 0.00 O ATOM 835 CB LEU A 58 2.260 -1.630 23.561 1.00 0.00 C ATOM 836 CG LEU A 58 2.744 -0.345 24.278 1.00 0.00 C ATOM 837 CD1 LEU A 58 1.758 0.826 24.205 1.00 0.00 C ATOM 838 CD2 LEU A 58 2.983 -0.657 25.758 1.00 0.00 C ATOM 0 H LEU A 58 4.232 -1.093 22.317 1.00 0.00 H new ATOM 0 HA LEU A 58 2.021 -2.628 21.640 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.246 -1.842 23.901 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.888 -2.457 23.894 1.00 0.00 H new ATOM 0 HG LEU A 58 3.653 -0.039 23.760 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.174 1.685 24.731 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.583 1.090 23.162 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.815 0.537 24.670 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.324 0.243 26.269 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.054 -1.002 26.212 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.741 -1.435 25.848 1.00 0.00 H new ATOM 850 N THR A 59 1.399 0.345 20.750 1.00 0.00 N ATOM 851 CA THR A 59 0.408 1.140 20.005 1.00 0.00 C ATOM 852 C THR A 59 1.110 1.940 18.896 1.00 0.00 C ATOM 853 O THR A 59 1.798 2.910 19.225 1.00 0.00 O ATOM 854 CB THR A 59 -0.379 2.096 20.928 1.00 0.00 C ATOM 855 OG1 THR A 59 -1.067 1.387 21.937 1.00 0.00 O ATOM 856 CG2 THR A 59 -1.459 2.870 20.165 1.00 0.00 C ATOM 0 H THR A 59 2.343 0.728 20.699 1.00 0.00 H new ATOM 0 HA THR A 59 -0.308 0.447 19.564 1.00 0.00 H new ATOM 0 HB THR A 59 0.369 2.771 21.345 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.903 0.427 21.832 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.988 3.530 20.853 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.994 3.463 19.378 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.165 2.168 19.721 1.00 0.00 H new ATOM 864 N PRO A 60 0.954 1.576 17.605 1.00 0.00 N ATOM 865 CA PRO A 60 1.410 2.362 16.454 1.00 0.00 C ATOM 866 C PRO A 60 1.019 3.847 16.547 1.00 0.00 C ATOM 867 O PRO A 60 -0.160 4.193 16.464 1.00 0.00 O ATOM 868 CB PRO A 60 0.820 1.673 15.217 1.00 0.00 C ATOM 869 CG PRO A 60 0.707 0.219 15.663 1.00 0.00 C ATOM 870 CD PRO A 60 0.314 0.354 17.133 1.00 0.00 C ATOM 0 HA PRO A 60 2.499 2.385 16.409 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.150 2.090 14.946 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.467 1.780 14.347 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.045 -0.324 15.090 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.648 -0.317 15.542 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.769 0.412 17.245 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.648 -0.510 17.708 1.00 0.00 H new ATOM 878 N VAL A 61 2.010 4.723 16.747 1.00 0.00 N ATOM 879 CA VAL A 61 1.829 6.186 16.812 1.00 0.00 C ATOM 880 C VAL A 61 1.943 6.791 15.406 1.00 0.00 C ATOM 881 O VAL A 61 1.281 7.781 15.096 1.00 0.00 O ATOM 882 CB VAL A 61 2.847 6.850 17.770 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.478 8.311 18.061 1.00 0.00 C ATOM 884 CG2 VAL A 61 2.960 6.131 19.124 1.00 0.00 C ATOM 0 H VAL A 61 2.980 4.434 16.871 1.00 0.00 H new ATOM 0 HA VAL A 61 0.833 6.382 17.209 1.00 0.00 H new ATOM 0 HB VAL A 61 3.802 6.786 17.248 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.215 8.745 18.737 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.464 8.875 17.129 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.492 8.352 18.524 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.689 6.646 19.749 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.990 6.135 19.620 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.281 5.102 18.964 1.00 0.00 H new ATOM 894 N GLY A 62 2.743 6.163 14.539 1.00 0.00 N ATOM 895 CA GLY A 62 2.797 6.360 13.096 1.00 0.00 C ATOM 896 C GLY A 62 2.180 5.172 12.348 1.00 0.00 C ATOM 897 O GLY A 62 1.600 4.265 12.952 1.00 0.00 O ATOM 0 H GLY A 62 3.412 5.459 14.852 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.266 7.274 12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.833 6.491 12.783 1.00 0.00 H new ATOM 901 N ARG A 63 2.298 5.167 11.018 1.00 0.00 N ATOM 902 CA ARG A 63 1.724 4.138 10.135 1.00 0.00 C ATOM 903 C ARG A 63 2.740 3.617 9.122 1.00 0.00 C ATOM 904 O ARG A 63 3.812 4.185 8.937 1.00 0.00 O ATOM 905 CB ARG A 63 0.450 4.671 9.437 1.00 0.00 C ATOM 906 CG ARG A 63 0.705 5.931 8.593 1.00 0.00 C ATOM 907 CD ARG A 63 -0.396 6.247 7.575 1.00 0.00 C ATOM 908 NE ARG A 63 -1.698 6.566 8.184 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.214 7.763 8.434 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.530 8.880 8.439 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.496 7.843 8.668 1.00 0.00 N ATOM 0 H ARG A 63 2.805 5.892 10.510 1.00 0.00 H new ATOM 0 HA ARG A 63 1.443 3.289 10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.040 3.890 8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.304 4.893 10.192 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.820 6.784 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.650 5.813 8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.078 7.089 6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.517 5.393 6.909 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.276 5.767 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.529 8.866 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.998 9.764 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.070 7.000 8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.923 8.748 8.864 1.00 0.00 H new ATOM 925 N LEU A 64 2.352 2.553 8.426 1.00 0.00 N ATOM 926 CA LEU A 64 2.947 2.125 7.169 1.00 0.00 C ATOM 927 C LEU A 64 2.215 2.875 6.047 1.00 0.00 C ATOM 928 O LEU A 64 0.985 2.956 6.071 1.00 0.00 O ATOM 929 CB LEU A 64 2.790 0.608 6.994 1.00 0.00 C ATOM 930 CG LEU A 64 3.436 -0.294 8.066 1.00 0.00 C ATOM 931 CD1 LEU A 64 2.682 -0.305 9.406 1.00 0.00 C ATOM 932 CD2 LEU A 64 3.453 -1.720 7.511 1.00 0.00 C ATOM 0 H LEU A 64 1.591 1.947 8.733 1.00 0.00 H new ATOM 0 HA LEU A 64 4.014 2.347 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.725 0.380 6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.208 0.334 6.025 1.00 0.00 H new ATOM 0 HG LEU A 64 4.432 0.099 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.197 -0.961 10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.648 0.706 9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.666 -0.667 9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.904 -2.390 8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.432 -2.042 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.035 -1.745 6.589 1.00 0.00 H new ATOM 944 N VAL A 65 2.957 3.445 5.092 1.00 0.00 N ATOM 945 CA VAL A 65 2.393 4.288 4.028 1.00 0.00 C ATOM 946 C VAL A 65 2.173 3.456 2.764 1.00 0.00 C ATOM 947 O VAL A 65 1.062 3.433 2.245 1.00 0.00 O ATOM 948 CB VAL A 65 3.308 5.502 3.767 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.889 6.343 2.556 1.00 0.00 C ATOM 950 CG2 VAL A 65 3.383 6.417 4.996 1.00 0.00 C ATOM 0 H VAL A 65 3.969 3.335 5.033 1.00 0.00 H new ATOM 0 HA VAL A 65 1.423 4.673 4.345 1.00 0.00 H new ATOM 0 HB VAL A 65 4.287 5.073 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.579 7.178 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.909 5.724 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.880 6.726 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.035 7.263 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.385 6.781 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.782 5.858 5.842 1.00 0.00 H new ATOM 960 N THR A 66 3.216 2.775 2.268 1.00 0.00 N ATOM 961 CA THR A 66 3.168 2.043 0.988 1.00 0.00 C ATOM 962 C THR A 66 2.163 0.888 0.984 1.00 0.00 C ATOM 963 O THR A 66 1.400 0.749 0.033 1.00 0.00 O ATOM 964 CB THR A 66 4.568 1.525 0.623 1.00 0.00 C ATOM 965 OG1 THR A 66 5.395 2.623 0.332 1.00 0.00 O ATOM 966 CG2 THR A 66 4.623 0.612 -0.602 1.00 0.00 C ATOM 0 H THR A 66 4.118 2.714 2.741 1.00 0.00 H new ATOM 0 HA THR A 66 2.825 2.755 0.238 1.00 0.00 H new ATOM 0 HB THR A 66 4.889 0.941 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.074 2.357 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.653 0.300 -0.777 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.002 -0.267 -0.429 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.254 1.151 -1.474 1.00 0.00 H new ATOM 974 N VAL A 67 2.184 0.035 2.014 1.00 0.00 N ATOM 975 CA VAL A 67 1.295 -1.124 2.148 1.00 0.00 C ATOM 976 C VAL A 67 1.088 -1.421 3.635 1.00 0.00 C ATOM 977 O VAL A 67 1.976 -1.149 4.441 1.00 0.00 O ATOM 978 CB VAL A 67 1.877 -2.329 1.369 1.00 0.00 C ATOM 979 CG1 VAL A 67 3.126 -2.948 2.017 1.00 0.00 C ATOM 980 CG2 VAL A 67 0.829 -3.425 1.143 1.00 0.00 C ATOM 0 H VAL A 67 2.833 0.133 2.794 1.00 0.00 H new ATOM 0 HA VAL A 67 0.318 -0.914 1.713 1.00 0.00 H new ATOM 0 HB VAL A 67 2.182 -1.910 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.473 -3.786 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.913 -2.196 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.879 -3.301 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.279 -4.251 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.466 -3.785 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.004 -3.019 0.569 1.00 0.00 H new ATOM 990 N ASN A 68 -0.069 -1.974 4.014 1.00 0.00 N ATOM 991 CA ASN A 68 -0.303 -2.414 5.392 1.00 0.00 C ATOM 992 C ASN A 68 0.295 -3.827 5.626 1.00 0.00 C ATOM 993 O ASN A 68 0.536 -4.561 4.666 1.00 0.00 O ATOM 994 CB ASN A 68 -1.799 -2.251 5.739 1.00 0.00 C ATOM 995 CG ASN A 68 -2.104 -0.825 6.202 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.259 -0.542 7.386 1.00 0.00 O ATOM 997 ND2 ASN A 68 -2.134 0.130 5.295 1.00 0.00 N ATOM 0 H ASN A 68 -0.857 -2.127 3.385 1.00 0.00 H new ATOM 0 HA ASN A 68 0.229 -1.780 6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.406 -2.491 4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.073 -2.958 6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.285 1.098 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.006 -0.099 4.309 1.00 0.00 H new ATOM 1004 N PRO A 69 0.614 -4.200 6.884 1.00 0.00 N ATOM 1005 CA PRO A 69 1.626 -5.224 7.170 1.00 0.00 C ATOM 1006 C PRO A 69 1.211 -6.682 6.864 1.00 0.00 C ATOM 1007 O PRO A 69 0.741 -7.390 7.755 1.00 0.00 O ATOM 1008 CB PRO A 69 2.009 -5.011 8.644 1.00 0.00 C ATOM 1009 CG PRO A 69 0.948 -4.110 9.265 1.00 0.00 C ATOM 1010 CD PRO A 69 0.237 -3.463 8.088 1.00 0.00 C ATOM 0 HA PRO A 69 2.472 -5.097 6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.058 -5.965 9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.995 -4.553 8.722 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.253 -4.684 9.878 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.399 -3.359 9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.843 -3.491 8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.520 -2.414 7.999 1.00 0.00 H new ATOM 1018 N PHE A 70 1.389 -7.175 5.629 1.00 0.00 N ATOM 1019 CA PHE A 70 1.027 -8.557 5.271 1.00 0.00 C ATOM 1020 C PHE A 70 1.920 -9.182 4.181 1.00 0.00 C ATOM 1021 O PHE A 70 1.946 -8.710 3.047 1.00 0.00 O ATOM 1022 CB PHE A 70 -0.458 -8.574 4.866 1.00 0.00 C ATOM 1023 CG PHE A 70 -1.068 -9.935 4.560 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -0.675 -11.094 5.259 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -2.081 -10.030 3.587 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.256 -12.338 4.961 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -2.681 -11.270 3.305 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.263 -12.426 3.984 1.00 0.00 C ATOM 0 H PHE A 70 1.783 -6.636 4.858 1.00 0.00 H new ATOM 0 HA PHE A 70 1.195 -9.185 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.035 -8.115 5.669 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.578 -7.942 3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.079 -11.025 6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.399 -9.146 3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.929 -13.226 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.465 -11.334 2.565 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.714 -13.380 3.756 1.00 0.00 H new ATOM 1038 N VAL A 71 2.620 -10.281 4.511 1.00 0.00 N ATOM 1039 CA VAL A 71 3.300 -11.161 3.549 1.00 0.00 C ATOM 1040 C VAL A 71 2.298 -12.223 3.100 1.00 0.00 C ATOM 1041 O VAL A 71 2.207 -13.299 3.689 1.00 0.00 O ATOM 1042 CB VAL A 71 4.559 -11.834 4.147 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.301 -12.657 3.087 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.543 -10.808 4.709 1.00 0.00 C ATOM 0 H VAL A 71 2.730 -10.588 5.477 1.00 0.00 H new ATOM 0 HA VAL A 71 3.644 -10.561 2.706 1.00 0.00 H new ATOM 0 HB VAL A 71 4.203 -12.479 4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.181 -13.118 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.641 -13.434 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.609 -12.005 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.412 -11.323 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.862 -10.136 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.058 -10.232 5.497 1.00 0.00 H new ATOM 1054 N SER A 72 1.510 -11.921 2.065 1.00 0.00 N ATOM 1055 CA SER A 72 0.457 -12.837 1.610 1.00 0.00 C ATOM 1056 C SER A 72 0.960 -14.100 0.889 1.00 0.00 C ATOM 1057 O SER A 72 0.133 -14.975 0.624 1.00 0.00 O ATOM 1058 CB SER A 72 -0.534 -12.102 0.704 1.00 0.00 C ATOM 1059 OG SER A 72 -1.634 -12.953 0.451 1.00 0.00 O ATOM 0 H SER A 72 1.579 -11.056 1.529 1.00 0.00 H new ATOM 0 HA SER A 72 -0.026 -13.182 2.524 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.870 -11.181 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.052 -11.819 -0.232 1.00 0.00 H new ATOM 0 HG SER A 72 -1.354 -13.887 0.549 1.00 0.00 H new ATOM 1065 N VAL A 73 2.248 -14.195 0.520 1.00 0.00 N ATOM 1066 CA VAL A 73 2.796 -15.313 -0.267 1.00 0.00 C ATOM 1067 C VAL A 73 4.299 -15.508 -0.023 1.00 0.00 C ATOM 1068 O VAL A 73 5.016 -14.558 0.280 1.00 0.00 O ATOM 1069 CB VAL A 73 2.591 -15.126 -1.797 1.00 0.00 C ATOM 1070 CG1 VAL A 73 2.154 -16.458 -2.421 1.00 0.00 C ATOM 1071 CG2 VAL A 73 1.601 -14.041 -2.251 1.00 0.00 C ATOM 0 H VAL A 73 2.945 -13.491 0.762 1.00 0.00 H new ATOM 0 HA VAL A 73 2.243 -16.189 0.072 1.00 0.00 H new ATOM 0 HB VAL A 73 3.566 -14.780 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.010 -16.327 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.923 -17.211 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.218 -16.783 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.557 -14.021 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.611 -14.262 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.932 -13.070 -1.883 1.00 0.00 H new ATOM 1081 N ALA A 74 4.790 -16.729 -0.270 1.00 0.00 N ATOM 1082 CA ALA A 74 6.208 -17.098 -0.230 1.00 0.00 C ATOM 1083 C ALA A 74 7.050 -16.496 -1.372 1.00 0.00 C ATOM 1084 O ALA A 74 8.277 -16.483 -1.280 1.00 0.00 O ATOM 1085 CB ALA A 74 6.285 -18.628 -0.281 1.00 0.00 C ATOM 0 H ALA A 74 4.187 -17.515 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 74 6.633 -16.691 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.329 -18.941 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.757 -19.048 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.824 -18.985 -1.202 1.00 0.00 H new ATOM 1091 N THR A 75 6.409 -15.989 -2.435 1.00 0.00 N ATOM 1092 CA THR A 75 7.039 -15.377 -3.620 1.00 0.00 C ATOM 1093 C THR A 75 7.556 -13.951 -3.379 1.00 0.00 C ATOM 1094 O THR A 75 8.098 -13.328 -4.289 1.00 0.00 O ATOM 1095 CB THR A 75 6.067 -15.368 -4.811 1.00 0.00 C ATOM 1096 OG1 THR A 75 4.862 -14.729 -4.458 1.00 0.00 O ATOM 1097 CG2 THR A 75 5.716 -16.779 -5.283 1.00 0.00 C ATOM 0 H THR A 75 5.391 -15.993 -2.498 1.00 0.00 H new ATOM 0 HA THR A 75 7.906 -16.000 -3.842 1.00 0.00 H new ATOM 0 HB THR A 75 6.575 -14.835 -5.615 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.254 -14.730 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.027 -16.720 -6.126 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.624 -17.296 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.246 -17.329 -4.468 1.00 0.00 H new ATOM 1105 N ALA A 76 7.428 -13.424 -2.157 1.00 0.00 N ATOM 1106 CA ALA A 76 7.848 -12.087 -1.734 1.00 0.00 C ATOM 1107 C ALA A 76 9.376 -11.830 -1.746 1.00 0.00 C ATOM 1108 O ALA A 76 9.809 -10.828 -1.184 1.00 0.00 O ATOM 1109 CB ALA A 76 7.253 -11.856 -0.336 1.00 0.00 C ATOM 0 H ALA A 76 7.004 -13.951 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 76 7.475 -11.372 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.540 -10.868 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.166 -11.922 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.630 -12.615 0.350 1.00 0.00 H new ATOM 1115 N ASN A 77 10.188 -12.697 -2.374 1.00 0.00 N ATOM 1116 CA ASN A 77 11.659 -12.853 -2.292 1.00 0.00 C ATOM 1117 C ASN A 77 12.499 -11.650 -2.805 1.00 0.00 C ATOM 1118 O ASN A 77 13.660 -11.809 -3.179 1.00 0.00 O ATOM 1119 CB ASN A 77 12.065 -14.168 -2.998 1.00 0.00 C ATOM 1120 CG ASN A 77 11.055 -15.289 -2.803 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.265 -15.565 -3.689 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.965 -15.895 -1.639 1.00 0.00 N ATOM 0 H ASN A 77 9.793 -13.380 -3.021 1.00 0.00 H new ATOM 0 HA ASN A 77 11.899 -12.890 -1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.186 -13.978 -4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.035 -14.491 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.237 -16.592 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.623 -15.668 -0.894 1.00 0.00 H new ATOM 1129 N ALA A 78 11.909 -10.456 -2.876 1.00 0.00 N ATOM 1130 CA ALA A 78 12.461 -9.237 -3.447 1.00 0.00 C ATOM 1131 C ALA A 78 13.438 -8.481 -2.521 1.00 0.00 C ATOM 1132 O ALA A 78 13.507 -8.693 -1.308 1.00 0.00 O ATOM 1133 CB ALA A 78 11.268 -8.339 -3.812 1.00 0.00 C ATOM 0 H ALA A 78 10.968 -10.310 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 78 13.062 -9.508 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.633 -7.408 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.634 -8.852 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.690 -8.119 -2.914 1.00 0.00 H new ATOM 1139 N LYS A 79 14.127 -7.511 -3.134 1.00 0.00 N ATOM 1140 CA LYS A 79 14.832 -6.364 -2.553 1.00 0.00 C ATOM 1141 C LYS A 79 13.959 -5.144 -2.870 1.00 0.00 C ATOM 1142 O LYS A 79 13.797 -4.812 -4.043 1.00 0.00 O ATOM 1143 CB LYS A 79 16.256 -6.336 -3.152 1.00 0.00 C ATOM 1144 CG LYS A 79 17.020 -4.994 -3.142 1.00 0.00 C ATOM 1145 CD LYS A 79 17.061 -4.344 -4.540 1.00 0.00 C ATOM 1146 CE LYS A 79 18.116 -3.240 -4.699 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.766 -1.993 -3.985 1.00 0.00 N ATOM 0 H LYS A 79 14.213 -7.511 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 79 14.972 -6.398 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.859 -7.068 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.190 -6.675 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.544 -4.311 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.038 -5.159 -2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.251 -5.120 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.079 -3.925 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.074 -3.606 -4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.246 -3.020 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.215 -1.184 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.734 -1.868 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.103 -2.049 -3.003 1.00 0.00 H new ATOM 1161 N VAL A 80 13.273 -4.595 -1.858 1.00 0.00 N ATOM 1162 CA VAL A 80 12.080 -3.754 -2.052 1.00 0.00 C ATOM 1163 C VAL A 80 11.954 -2.618 -1.026 1.00 0.00 C ATOM 1164 O VAL A 80 12.205 -2.776 0.172 1.00 0.00 O ATOM 1165 CB VAL A 80 10.810 -4.633 -2.129 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.615 -5.558 -0.918 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.539 -3.798 -2.340 1.00 0.00 C ATOM 0 H VAL A 80 13.529 -4.721 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 80 12.199 -3.244 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 80 10.976 -5.267 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.703 -6.141 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.467 -6.232 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.536 -4.958 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.673 -4.459 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.419 -3.102 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.621 -3.240 -3.273 1.00 0.00 H new ATOM 1177 N LEU A 81 11.567 -1.454 -1.558 1.00 0.00 N ATOM 1178 CA LEU A 81 11.543 -0.126 -0.952 1.00 0.00 C ATOM 1179 C LEU A 81 10.108 0.223 -0.519 1.00 0.00 C ATOM 1180 O LEU A 81 9.171 0.108 -1.308 1.00 0.00 O ATOM 1181 CB LEU A 81 12.117 0.817 -2.034 1.00 0.00 C ATOM 1182 CG LEU A 81 12.447 2.278 -1.681 1.00 0.00 C ATOM 1183 CD1 LEU A 81 11.239 3.087 -1.224 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.575 2.399 -0.658 1.00 0.00 C ATOM 0 H LEU A 81 11.230 -1.419 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 81 12.138 -0.047 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.032 0.360 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.406 0.835 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 81 12.789 2.709 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.550 4.106 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.493 3.107 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.809 2.628 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.764 3.452 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.287 1.891 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.480 1.941 -1.058 1.00 0.00 H new ATOM 1196 N ILE A 82 9.941 0.632 0.743 1.00 0.00 N ATOM 1197 CA ILE A 82 8.665 0.879 1.428 1.00 0.00 C ATOM 1198 C ILE A 82 8.700 2.276 2.072 1.00 0.00 C ATOM 1199 O ILE A 82 9.703 2.640 2.681 1.00 0.00 O ATOM 1200 CB ILE A 82 8.471 -0.240 2.489 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.182 -1.601 1.809 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.361 0.089 3.506 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.386 -2.811 2.731 1.00 0.00 C ATOM 0 H ILE A 82 10.740 0.811 1.351 1.00 0.00 H new ATOM 0 HA ILE A 82 7.826 0.857 0.733 1.00 0.00 H new ATOM 0 HB ILE A 82 9.408 -0.305 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.155 -1.603 1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.830 -1.706 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.270 -0.728 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.612 1.009 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.414 0.219 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.164 -3.727 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.420 -2.835 3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.719 -2.731 3.589 1.00 0.00 H new ATOM 1215 N GLU A 83 7.605 3.043 1.997 1.00 0.00 N ATOM 1216 CA GLU A 83 7.388 4.218 2.849 1.00 0.00 C ATOM 1217 C GLU A 83 6.669 3.849 4.160 1.00 0.00 C ATOM 1218 O GLU A 83 5.658 3.134 4.161 1.00 0.00 O ATOM 1219 CB GLU A 83 6.616 5.344 2.129 1.00 0.00 C ATOM 1220 CG GLU A 83 7.490 6.130 1.146 1.00 0.00 C ATOM 1221 CD GLU A 83 6.776 7.368 0.576 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.418 8.276 1.370 1.00 0.00 O ATOM 1223 OE2 GLU A 83 6.642 7.462 -0.660 1.00 0.00 O ATOM 0 H GLU A 83 6.843 2.865 1.342 1.00 0.00 H new ATOM 0 HA GLU A 83 8.383 4.595 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.771 4.913 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.206 6.029 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.405 6.443 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.785 5.476 0.326 1.00 0.00 H new ATOM 1230 N LEU A 84 7.156 4.423 5.268 1.00 0.00 N ATOM 1231 CA LEU A 84 6.519 4.479 6.590 1.00 0.00 C ATOM 1232 C LEU A 84 6.324 5.948 7.013 1.00 0.00 C ATOM 1233 O LEU A 84 7.032 6.834 6.542 1.00 0.00 O ATOM 1234 CB LEU A 84 7.392 3.733 7.627 1.00 0.00 C ATOM 1235 CG LEU A 84 6.877 2.344 8.045 1.00 0.00 C ATOM 1236 CD1 LEU A 84 6.960 1.316 6.915 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.705 1.825 9.219 1.00 0.00 C ATOM 0 H LEU A 84 8.063 4.890 5.265 1.00 0.00 H new ATOM 0 HA LEU A 84 5.544 3.995 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.396 3.622 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.477 4.354 8.519 1.00 0.00 H new ATOM 0 HG LEU A 84 5.829 2.467 8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.583 0.356 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.358 1.654 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.997 1.205 6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.340 0.841 9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.751 1.750 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.616 2.513 10.060 1.00 0.00 H new ATOM 1249 N GLU A 85 5.408 6.205 7.948 1.00 0.00 N ATOM 1250 CA GLU A 85 5.177 7.512 8.568 1.00 0.00 C ATOM 1251 C GLU A 85 5.792 7.529 9.980 1.00 0.00 C ATOM 1252 O GLU A 85 5.234 6.910 10.893 1.00 0.00 O ATOM 1253 CB GLU A 85 3.675 7.820 8.622 1.00 0.00 C ATOM 1254 CG GLU A 85 3.384 9.238 9.139 1.00 0.00 C ATOM 1255 CD GLU A 85 1.897 9.412 9.454 1.00 0.00 C ATOM 1256 OE1 GLU A 85 1.074 9.227 8.527 1.00 0.00 O ATOM 1257 OE2 GLU A 85 1.568 9.688 10.633 1.00 0.00 O ATOM 0 H GLU A 85 4.784 5.483 8.308 1.00 0.00 H new ATOM 0 HA GLU A 85 5.656 8.285 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.248 7.705 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.181 7.093 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.974 9.431 10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.690 9.971 8.392 1.00 0.00 H new ATOM 1264 N PRO A 86 6.936 8.204 10.190 1.00 0.00 N ATOM 1265 CA PRO A 86 7.433 8.556 11.513 1.00 0.00 C ATOM 1266 C PRO A 86 6.700 9.806 12.045 1.00 0.00 C ATOM 1267 O PRO A 86 6.643 10.817 11.337 1.00 0.00 O ATOM 1268 CB PRO A 86 8.921 8.841 11.312 1.00 0.00 C ATOM 1269 CG PRO A 86 9.023 9.325 9.868 1.00 0.00 C ATOM 1270 CD PRO A 86 7.780 8.790 9.165 1.00 0.00 C ATOM 0 HA PRO A 86 7.268 7.764 12.243 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.279 9.597 12.011 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.522 7.947 11.475 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.061 10.413 9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.931 8.954 9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.256 9.591 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.050 8.046 8.415 1.00 0.00 H new ATOM 1278 N PRO A 87 6.163 9.788 13.282 1.00 0.00 N ATOM 1279 CA PRO A 87 5.626 10.991 13.919 1.00 0.00 C ATOM 1280 C PRO A 87 6.728 12.030 14.225 1.00 0.00 C ATOM 1281 O PRO A 87 7.921 11.784 14.039 1.00 0.00 O ATOM 1282 CB PRO A 87 4.886 10.490 15.165 1.00 0.00 C ATOM 1283 CG PRO A 87 5.619 9.198 15.525 1.00 0.00 C ATOM 1284 CD PRO A 87 6.034 8.638 14.167 1.00 0.00 C ATOM 0 HA PRO A 87 4.945 11.534 13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.931 11.216 15.977 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.831 10.308 14.959 1.00 0.00 H new ATOM 0 HG2 PRO A 87 6.483 9.390 16.162 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.973 8.506 16.065 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.976 8.094 14.240 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.290 7.937 13.790 1.00 0.00 H new ATOM 1292 N PHE A 88 6.314 13.228 14.654 1.00 0.00 N ATOM 1293 CA PHE A 88 7.204 14.377 14.860 1.00 0.00 C ATOM 1294 C PHE A 88 7.936 14.359 16.214 1.00 0.00 C ATOM 1295 O PHE A 88 7.584 13.610 17.125 1.00 0.00 O ATOM 1296 CB PHE A 88 6.402 15.672 14.650 1.00 0.00 C ATOM 1297 CG PHE A 88 6.267 16.044 13.184 1.00 0.00 C ATOM 1298 CD1 PHE A 88 5.309 15.410 12.368 1.00 0.00 C ATOM 1299 CD2 PHE A 88 7.135 17.000 12.624 1.00 0.00 C ATOM 1300 CE1 PHE A 88 5.223 15.730 11.001 1.00 0.00 C ATOM 1301 CE2 PHE A 88 7.046 17.323 11.257 1.00 0.00 C ATOM 1302 CZ PHE A 88 6.090 16.687 10.446 1.00 0.00 C ATOM 0 H PHE A 88 5.338 13.430 14.871 1.00 0.00 H new ATOM 0 HA PHE A 88 8.003 14.318 14.121 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.409 15.555 15.084 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.889 16.487 15.185 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.639 14.677 12.793 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.872 17.487 13.245 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.490 15.240 10.377 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.712 18.059 10.831 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.022 16.934 9.397 1.00 0.00 H new ATOM 1312 N GLY A 89 8.966 15.207 16.344 1.00 0.00 N ATOM 1313 CA GLY A 89 9.867 15.250 17.493 1.00 0.00 C ATOM 1314 C GLY A 89 10.881 14.111 17.438 1.00 0.00 C ATOM 1315 O GLY A 89 12.003 14.293 16.963 1.00 0.00 O ATOM 0 H GLY A 89 9.197 15.899 15.631 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.390 16.206 17.514 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.289 15.183 18.415 1.00 0.00 H new ATOM 1319 N ASP A 90 10.466 12.926 17.892 1.00 0.00 N ATOM 1320 CA ASP A 90 11.296 11.725 17.955 1.00 0.00 C ATOM 1321 C ASP A 90 10.472 10.493 17.561 1.00 0.00 C ATOM 1322 O ASP A 90 9.271 10.429 17.828 1.00 0.00 O ATOM 1323 CB ASP A 90 11.880 11.592 19.376 1.00 0.00 C ATOM 1324 CG ASP A 90 13.233 10.882 19.392 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.098 11.253 18.562 1.00 0.00 O ATOM 1326 OD2 ASP A 90 13.454 10.012 20.260 1.00 0.00 O ATOM 0 H ASP A 90 9.517 12.773 18.235 1.00 0.00 H new ATOM 0 HA ASP A 90 12.122 11.802 17.248 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.989 12.584 19.814 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.178 11.042 20.003 1.00 0.00 H new ATOM 1331 N SER A 91 11.109 9.521 16.901 1.00 0.00 N ATOM 1332 CA SER A 91 10.430 8.338 16.377 1.00 0.00 C ATOM 1333 C SER A 91 11.343 7.112 16.328 1.00 0.00 C ATOM 1334 O SER A 91 12.557 7.220 16.136 1.00 0.00 O ATOM 1335 CB SER A 91 9.867 8.640 14.983 1.00 0.00 C ATOM 1336 OG SER A 91 10.907 8.845 14.047 1.00 0.00 O ATOM 0 H SER A 91 12.112 9.535 16.716 1.00 0.00 H new ATOM 0 HA SER A 91 9.615 8.098 17.060 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.236 7.814 14.655 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.234 9.526 15.027 1.00 0.00 H new ATOM 0 HG SER A 91 11.516 9.537 14.381 1.00 0.00 H new ATOM 1342 N TYR A 92 10.729 5.934 16.453 1.00 0.00 N ATOM 1343 CA TYR A 92 11.392 4.638 16.399 1.00 0.00 C ATOM 1344 C TYR A 92 10.566 3.662 15.567 1.00 0.00 C ATOM 1345 O TYR A 92 9.334 3.640 15.625 1.00 0.00 O ATOM 1346 CB TYR A 92 11.670 4.113 17.813 1.00 0.00 C ATOM 1347 CG TYR A 92 12.550 5.056 18.608 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.949 5.037 18.432 1.00 0.00 C ATOM 1349 CD2 TYR A 92 11.956 6.046 19.414 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.747 6.029 19.033 1.00 0.00 C ATOM 1351 CE2 TYR A 92 12.747 7.040 20.010 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.144 7.049 19.800 1.00 0.00 C ATOM 1353 OH TYR A 92 14.892 8.075 20.284 1.00 0.00 O ATOM 0 H TYR A 92 9.722 5.858 16.599 1.00 0.00 H new ATOM 0 HA TYR A 92 12.359 4.748 15.908 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.726 3.970 18.338 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.151 3.137 17.749 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.408 4.262 17.836 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.888 6.040 19.574 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.819 6.010 18.907 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.288 7.797 20.629 1.00 0.00 H new ATOM 0 HH TYR A 92 14.592 8.917 19.882 1.00 0.00 H new ATOM 1363 N ILE A 93 11.283 2.870 14.774 1.00 0.00 N ATOM 1364 CA ILE A 93 10.766 2.018 13.710 1.00 0.00 C ATOM 1365 C ILE A 93 11.143 0.584 14.063 1.00 0.00 C ATOM 1366 O ILE A 93 12.322 0.232 14.025 1.00 0.00 O ATOM 1367 CB ILE A 93 11.337 2.460 12.344 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.105 3.957 12.018 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.791 1.564 11.219 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.643 4.425 12.020 1.00 0.00 C ATOM 0 H ILE A 93 12.297 2.803 14.863 1.00 0.00 H new ATOM 0 HA ILE A 93 9.682 2.096 13.624 1.00 0.00 H new ATOM 0 HB ILE A 93 12.418 2.339 12.415 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.659 4.556 12.740 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.532 4.166 11.037 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.203 1.888 10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.079 0.529 11.406 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.704 1.638 11.190 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.601 5.487 11.780 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.080 3.862 11.276 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.209 4.259 13.006 1.00 0.00 H new ATOM 1382 N VAL A 94 10.163 -0.224 14.469 1.00 0.00 N ATOM 1383 CA VAL A 94 10.403 -1.573 15.000 1.00 0.00 C ATOM 1384 C VAL A 94 10.044 -2.604 13.928 1.00 0.00 C ATOM 1385 O VAL A 94 9.033 -2.468 13.238 1.00 0.00 O ATOM 1386 CB VAL A 94 9.661 -1.795 16.337 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.096 -3.116 16.992 1.00 0.00 C ATOM 1388 CG2 VAL A 94 9.963 -0.662 17.335 1.00 0.00 C ATOM 0 H VAL A 94 9.177 0.036 14.440 1.00 0.00 H new ATOM 0 HA VAL A 94 11.460 -1.694 15.237 1.00 0.00 H new ATOM 0 HB VAL A 94 8.596 -1.817 16.105 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.560 -3.250 17.932 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.869 -3.946 16.323 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.168 -3.090 17.186 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.427 -0.845 18.266 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.034 -0.628 17.533 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.642 0.290 16.913 1.00 0.00 H new ATOM 1398 N VAL A 95 10.910 -3.608 13.764 1.00 0.00 N ATOM 1399 CA VAL A 95 10.881 -4.633 12.717 1.00 0.00 C ATOM 1400 C VAL A 95 11.014 -5.993 13.408 1.00 0.00 C ATOM 1401 O VAL A 95 12.123 -6.443 13.677 1.00 0.00 O ATOM 1402 CB VAL A 95 12.022 -4.397 11.694 1.00 0.00 C ATOM 1403 CG1 VAL A 95 12.050 -5.478 10.601 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.910 -3.043 10.976 1.00 0.00 C ATOM 0 H VAL A 95 11.699 -3.734 14.398 1.00 0.00 H new ATOM 0 HA VAL A 95 9.947 -4.593 12.156 1.00 0.00 H new ATOM 0 HB VAL A 95 12.933 -4.427 12.291 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.865 -5.272 9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.202 -6.455 11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.103 -5.474 10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.736 -2.935 10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.965 -2.995 10.436 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.950 -2.238 11.710 1.00 0.00 H new ATOM 1414 N GLY A 96 9.899 -6.647 13.738 1.00 0.00 N ATOM 1415 CA GLY A 96 9.921 -7.964 14.372 1.00 0.00 C ATOM 1416 C GLY A 96 8.856 -8.206 15.434 1.00 0.00 C ATOM 1417 O GLY A 96 8.160 -7.298 15.880 1.00 0.00 O ATOM 0 H GLY A 96 8.961 -6.281 13.574 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.812 -8.722 13.596 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.901 -8.111 14.827 1.00 0.00 H new ATOM 1421 N ARG A 97 8.771 -9.467 15.859 1.00 0.00 N ATOM 1422 CA ARG A 97 7.796 -9.990 16.821 1.00 0.00 C ATOM 1423 C ARG A 97 8.538 -10.550 18.031 1.00 0.00 C ATOM 1424 O ARG A 97 9.371 -11.435 17.866 1.00 0.00 O ATOM 1425 CB ARG A 97 6.897 -11.073 16.187 1.00 0.00 C ATOM 1426 CG ARG A 97 7.652 -12.076 15.281 1.00 0.00 C ATOM 1427 CD ARG A 97 7.064 -13.490 15.250 1.00 0.00 C ATOM 1428 NE ARG A 97 7.009 -14.078 16.596 1.00 0.00 N ATOM 1429 CZ ARG A 97 5.947 -14.247 17.369 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.713 -14.121 16.926 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.120 -14.522 18.638 1.00 0.00 N ATOM 0 H ARG A 97 9.411 -10.188 15.526 1.00 0.00 H new ATOM 0 HA ARG A 97 7.144 -9.175 17.135 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.397 -11.625 16.983 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.119 -10.585 15.600 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.668 -11.683 14.264 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.688 -12.137 15.616 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.061 -13.459 14.824 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.668 -14.123 14.599 1.00 0.00 H new ATOM 0 HE ARG A 97 7.898 -14.395 16.982 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.544 -13.883 15.949 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.927 -14.261 17.560 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.063 -14.603 19.018 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.312 -14.655 19.246 1.00 0.00 H new ATOM 1445 N GLY A 98 8.216 -10.034 19.222 1.00 0.00 N ATOM 1446 CA GLY A 98 8.731 -10.442 20.534 1.00 0.00 C ATOM 1447 C GLY A 98 10.175 -10.960 20.544 1.00 0.00 C ATOM 1448 O GLY A 98 11.114 -10.183 20.696 1.00 0.00 O ATOM 0 H GLY A 98 7.545 -9.270 19.300 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.664 -9.591 21.212 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.081 -11.220 20.934 1.00 0.00 H new ATOM 1452 N GLU A 99 10.336 -12.280 20.406 1.00 0.00 N ATOM 1453 CA GLU A 99 11.608 -13.002 20.460 1.00 0.00 C ATOM 1454 C GLU A 99 12.534 -12.834 19.237 1.00 0.00 C ATOM 1455 O GLU A 99 13.720 -13.136 19.349 1.00 0.00 O ATOM 1456 CB GLU A 99 11.313 -14.491 20.722 1.00 0.00 C ATOM 1457 CG GLU A 99 10.798 -15.313 19.522 1.00 0.00 C ATOM 1458 CD GLU A 99 9.496 -14.810 18.880 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.605 -14.287 19.593 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.348 -14.959 17.646 1.00 0.00 O ATOM 0 H GLU A 99 9.544 -12.902 20.246 1.00 0.00 H new ATOM 0 HA GLU A 99 12.177 -12.552 21.274 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.226 -14.960 21.090 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.576 -14.557 21.522 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.575 -15.332 18.758 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.647 -16.342 19.848 1.00 0.00 H new ATOM 1467 N GLN A 100 12.031 -12.356 18.091 1.00 0.00 N ATOM 1468 CA GLN A 100 12.816 -12.131 16.870 1.00 0.00 C ATOM 1469 C GLN A 100 12.533 -10.725 16.316 1.00 0.00 C ATOM 1470 O GLN A 100 11.509 -10.484 15.667 1.00 0.00 O ATOM 1471 CB GLN A 100 12.631 -13.296 15.866 1.00 0.00 C ATOM 1472 CG GLN A 100 11.243 -13.399 15.213 1.00 0.00 C ATOM 1473 CD GLN A 100 10.985 -14.749 14.554 1.00 0.00 C ATOM 1474 OE1 GLN A 100 11.320 -14.985 13.401 1.00 0.00 O ATOM 1475 NE2 GLN A 100 10.336 -15.661 15.248 1.00 0.00 N ATOM 0 H GLN A 100 11.047 -12.110 17.985 1.00 0.00 H new ATOM 0 HA GLN A 100 13.882 -12.143 17.096 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.377 -13.194 15.077 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.840 -14.233 16.382 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.479 -13.220 15.970 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.142 -12.612 14.465 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.056 -15.467 16.209 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.114 -16.562 14.824 1.00 0.00 H new ATOM 1484 N GLN A 101 13.420 -9.768 16.629 1.00 0.00 N ATOM 1485 CA GLN A 101 13.260 -8.375 16.212 1.00 0.00 C ATOM 1486 C GLN A 101 14.562 -7.614 15.951 1.00 0.00 C ATOM 1487 O GLN A 101 15.646 -7.996 16.392 1.00 0.00 O ATOM 1488 CB GLN A 101 12.373 -7.619 17.229 1.00 0.00 C ATOM 1489 CG GLN A 101 13.045 -7.365 18.596 1.00 0.00 C ATOM 1490 CD GLN A 101 13.188 -5.877 18.934 1.00 0.00 C ATOM 1491 OE1 GLN A 101 13.827 -5.094 18.241 1.00 0.00 O ATOM 1492 NE2 GLN A 101 12.616 -5.434 20.037 1.00 0.00 N ATOM 0 H GLN A 101 14.263 -9.941 17.176 1.00 0.00 H new ATOM 0 HA GLN A 101 12.772 -8.418 15.238 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.082 -6.661 16.797 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.457 -8.189 17.388 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.461 -7.853 19.376 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.032 -7.828 18.600 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.080 -6.072 20.625 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.709 -4.453 20.301 1.00 0.00 H new ATOM 1501 N ILE A 102 14.386 -6.492 15.256 1.00 0.00 N ATOM 1502 CA ILE A 102 15.314 -5.397 14.999 1.00 0.00 C ATOM 1503 C ILE A 102 14.541 -4.080 15.184 1.00 0.00 C ATOM 1504 O ILE A 102 13.307 -4.053 15.145 1.00 0.00 O ATOM 1505 CB ILE A 102 15.921 -5.459 13.566 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.492 -6.656 12.677 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.452 -5.393 13.688 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.823 -6.479 11.189 1.00 0.00 C ATOM 0 H ILE A 102 13.487 -6.310 14.810 1.00 0.00 H new ATOM 0 HA ILE A 102 16.150 -5.470 15.695 1.00 0.00 H new ATOM 0 HB ILE A 102 15.510 -4.601 13.035 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.980 -7.560 13.042 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.418 -6.808 12.784 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.898 -5.435 12.694 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.738 -4.461 14.175 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.806 -6.236 14.281 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.492 -7.358 10.636 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.313 -5.595 10.806 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.899 -6.358 11.068 1.00 0.00 H new ATOM 1520 N ASN A 103 15.251 -2.960 15.325 1.00 0.00 N ATOM 1521 CA ASN A 103 14.636 -1.636 15.344 1.00 0.00 C ATOM 1522 C ASN A 103 15.598 -0.558 14.821 1.00 0.00 C ATOM 1523 O ASN A 103 16.806 -0.775 14.729 1.00 0.00 O ATOM 1524 CB ASN A 103 14.092 -1.336 16.758 1.00 0.00 C ATOM 1525 CG ASN A 103 15.119 -1.511 17.867 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.856 -0.597 18.198 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.189 -2.672 18.491 1.00 0.00 N ATOM 0 H ASN A 103 16.266 -2.947 15.429 1.00 0.00 H new ATOM 0 HA ASN A 103 13.789 -1.623 14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.717 -0.313 16.782 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.244 -1.991 16.956 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.859 -2.804 19.249 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.573 -3.437 18.215 1.00 0.00 H new ATOM 1534 N HIS A 104 15.032 0.598 14.465 1.00 0.00 N ATOM 1535 CA HIS A 104 15.725 1.796 14.003 1.00 0.00 C ATOM 1536 C HIS A 104 15.097 3.052 14.626 1.00 0.00 C ATOM 1537 O HIS A 104 14.050 2.996 15.274 1.00 0.00 O ATOM 1538 CB HIS A 104 15.687 1.860 12.463 1.00 0.00 C ATOM 1539 CG HIS A 104 16.912 2.499 11.856 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.166 3.849 11.674 1.00 0.00 N ATOM 1541 CD2 HIS A 104 17.995 1.803 11.391 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.390 3.947 11.119 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.922 2.732 10.919 1.00 0.00 N ATOM 0 H HIS A 104 14.021 0.727 14.494 1.00 0.00 H new ATOM 0 HA HIS A 104 16.767 1.752 14.320 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.581 0.850 12.068 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.804 2.418 12.152 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.545 4.621 11.914 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.111 0.729 11.390 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.877 4.878 10.869 1.00 0.00 H new ATOM 1551 N HIS A 105 15.725 4.199 14.386 1.00 0.00 N ATOM 1552 CA HIS A 105 15.342 5.517 14.884 1.00 0.00 C ATOM 1553 C HIS A 105 15.164 6.516 13.730 1.00 0.00 C ATOM 1554 O HIS A 105 15.747 6.319 12.656 1.00 0.00 O ATOM 1555 CB HIS A 105 16.429 5.981 15.869 1.00 0.00 C ATOM 1556 CG HIS A 105 17.798 6.146 15.244 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.408 7.340 14.933 1.00 0.00 N ATOM 1558 CD2 HIS A 105 18.655 5.141 14.871 1.00 0.00 C ATOM 1559 CE1 HIS A 105 19.593 7.060 14.366 1.00 0.00 C ATOM 1560 NE2 HIS A 105 19.783 5.734 14.301 1.00 0.00 N ATOM 0 H HIS A 105 16.563 4.236 13.806 1.00 0.00 H new ATOM 0 HA HIS A 105 14.380 5.462 15.394 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.125 6.931 16.308 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.498 5.260 16.684 1.00 0.00 H new ATOM 0 HD1 HIS A 105 18.028 8.271 15.103 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.487 4.082 14.996 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.295 7.800 14.012 1.00 0.00 H new ATOM 1568 N TRP A 106 14.396 7.590 13.977 1.00 0.00 N ATOM 1569 CA TRP A 106 14.391 8.835 13.197 1.00 0.00 C ATOM 1570 C TRP A 106 13.912 10.032 14.032 1.00 0.00 C ATOM 1571 O TRP A 106 13.132 9.874 14.973 1.00 0.00 O ATOM 1572 CB TRP A 106 13.543 8.695 11.920 1.00 0.00 C ATOM 1573 CG TRP A 106 14.343 8.954 10.684 1.00 0.00 C ATOM 1574 CD1 TRP A 106 15.028 8.009 10.011 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.662 10.221 10.029 1.00 0.00 C ATOM 1576 NE1 TRP A 106 15.748 8.593 8.993 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.607 9.964 8.990 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.272 11.564 10.221 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 16.178 10.988 8.220 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.827 12.601 9.445 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.790 12.318 8.458 1.00 0.00 C ATOM 0 H TRP A 106 13.737 7.614 14.755 1.00 0.00 H new ATOM 0 HA TRP A 106 15.423 9.026 12.903 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.120 7.691 11.874 1.00 0.00 H new ATOM 0 HB3 TRP A 106 12.706 9.392 11.963 1.00 0.00 H new ATOM 0 HD1 TRP A 106 15.014 6.953 10.236 1.00 0.00 H new ATOM 0 HE1 TRP A 106 16.316 8.074 8.323 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.536 11.801 10.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.905 10.758 7.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.511 13.621 9.609 1.00 0.00 H new ATOM 0 HH2 TRP A 106 16.230 13.121 7.885 1.00 0.00 H new ATOM 1592 N HIS A 107 14.331 11.242 13.652 1.00 0.00 N ATOM 1593 CA HIS A 107 14.209 12.456 14.469 1.00 0.00 C ATOM 1594 C HIS A 107 13.643 13.617 13.642 1.00 0.00 C ATOM 1595 O HIS A 107 14.037 13.772 12.480 1.00 0.00 O ATOM 1596 CB HIS A 107 15.603 12.817 15.003 1.00 0.00 C ATOM 1597 CG HIS A 107 16.352 11.647 15.599 1.00 0.00 C ATOM 1598 ND1 HIS A 107 15.943 10.863 16.654 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.506 11.100 15.108 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.840 9.880 16.811 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.802 9.972 15.877 1.00 0.00 N ATOM 0 H HIS A 107 14.774 11.410 12.749 1.00 0.00 H new ATOM 0 HA HIS A 107 13.522 12.273 15.295 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.195 13.239 14.190 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.501 13.594 15.760 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.105 11.005 17.217 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.084 11.473 14.276 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.796 9.122 17.579 1.00 0.00 H new ATOM 1609 N LYS A 108 12.760 14.441 14.225 1.00 0.00 N ATOM 1610 CA LYS A 108 12.164 15.597 13.540 1.00 0.00 C ATOM 1611 C LYS A 108 12.124 16.850 14.419 1.00 0.00 C ATOM 1612 O LYS A 108 11.136 17.099 15.110 1.00 0.00 O ATOM 1613 CB LYS A 108 10.756 15.295 12.991 1.00 0.00 C ATOM 1614 CG LYS A 108 10.635 14.058 12.093 1.00 0.00 C ATOM 1615 CD LYS A 108 9.438 14.224 11.150 1.00 0.00 C ATOM 1616 CE LYS A 108 9.082 12.896 10.482 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.758 13.069 9.050 1.00 0.00 N ATOM 0 H LYS A 108 12.439 14.324 15.186 1.00 0.00 H new ATOM 0 HA LYS A 108 12.823 15.799 12.696 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.077 15.174 13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.413 16.163 12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.550 13.924 11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.509 13.164 12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.579 14.597 11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.670 14.968 10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.917 12.203 10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.231 12.448 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.987 12.422 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.461 14.051 8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.598 12.856 8.476 1.00 0.00 H new ATOM 1631 N SER A 109 13.156 17.687 14.289 1.00 0.00 N ATOM 1632 CA SER A 109 13.178 19.096 14.708 1.00 0.00 C ATOM 1633 C SER A 109 13.197 19.308 16.234 1.00 0.00 C ATOM 1634 O SER A 109 12.694 20.332 16.707 1.00 0.00 O ATOM 1635 CB SER A 109 12.032 19.864 14.018 1.00 0.00 C ATOM 1636 OG SER A 109 12.112 21.236 14.334 1.00 0.00 O ATOM 0 H SER A 109 14.038 17.391 13.871 1.00 0.00 H new ATOM 0 HA SER A 109 14.131 19.509 14.378 1.00 0.00 H new ATOM 0 HB2 SER A 109 12.090 19.727 12.938 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.070 19.464 14.339 1.00 0.00 H new ATOM 0 HG SER A 109 12.233 21.343 15.301 1.00 0.00 H new ATOM 1642 N GLY A 110 13.782 18.386 17.011 1.00 0.00 N ATOM 1643 CA GLY A 110 13.859 18.553 18.467 1.00 0.00 C ATOM 1644 C GLY A 110 14.377 17.369 19.289 1.00 0.00 C ATOM 1645 O GLY A 110 14.267 17.416 20.513 1.00 0.00 O ATOM 0 H GLY A 110 14.204 17.526 16.660 1.00 0.00 H new ATOM 0 HA2 GLY A 110 14.499 19.411 18.674 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.862 18.804 18.830 1.00 0.00 H new ATOM 1649 N SER A 111 14.905 16.307 18.671 1.00 0.00 N ATOM 1650 CA SER A 111 15.406 15.139 19.400 1.00 0.00 C ATOM 1651 C SER A 111 16.758 15.398 20.077 1.00 0.00 C ATOM 1652 O SER A 111 17.525 16.271 19.663 1.00 0.00 O ATOM 1653 CB SER A 111 15.537 13.965 18.438 1.00 0.00 C ATOM 1654 OG SER A 111 15.828 12.791 19.165 1.00 0.00 O ATOM 0 H SER A 111 14.996 16.234 17.658 1.00 0.00 H new ATOM 0 HA SER A 111 14.688 14.915 20.189 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.612 13.837 17.875 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.327 14.162 17.713 1.00 0.00 H new ATOM 0 HG SER A 111 15.300 12.046 18.809 1.00 0.00 H new ATOM 1660 N SER A 112 17.103 14.563 21.065 1.00 0.00 N ATOM 1661 CA SER A 112 18.347 14.644 21.843 1.00 0.00 C ATOM 1662 C SER A 112 19.629 14.447 21.020 1.00 0.00 C ATOM 1663 O SER A 112 20.712 14.694 21.549 1.00 0.00 O ATOM 1664 CB SER A 112 18.333 13.609 22.972 1.00 0.00 C ATOM 1665 OG SER A 112 19.459 13.816 23.801 1.00 0.00 O ATOM 0 H SER A 112 16.506 13.788 21.354 1.00 0.00 H new ATOM 0 HA SER A 112 18.372 15.662 22.232 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.416 13.699 23.554 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.350 12.601 22.558 1.00 0.00 H new ATOM 0 HG SER A 112 20.154 14.288 23.297 1.00 0.00 H new ATOM 1671 N ILE A 113 19.522 13.996 19.764 1.00 0.00 N ATOM 1672 CA ILE A 113 20.634 13.901 18.808 1.00 0.00 C ATOM 1673 C ILE A 113 20.902 15.257 18.116 1.00 0.00 C ATOM 1674 O ILE A 113 21.978 15.452 17.555 1.00 0.00 O ATOM 1675 CB ILE A 113 20.352 12.765 17.788 1.00 0.00 C ATOM 1676 CG1 ILE A 113 19.895 11.439 18.447 1.00 0.00 C ATOM 1677 CG2 ILE A 113 21.567 12.480 16.883 1.00 0.00 C ATOM 1678 CD1 ILE A 113 20.862 10.835 19.476 1.00 0.00 C ATOM 0 H ILE A 113 18.635 13.678 19.373 1.00 0.00 H new ATOM 0 HA ILE A 113 21.546 13.650 19.349 1.00 0.00 H new ATOM 0 HB ILE A 113 19.528 13.142 17.183 1.00 0.00 H new ATOM 0 HG12 ILE A 113 18.935 11.610 18.935 1.00 0.00 H new ATOM 0 HG13 ILE A 113 19.726 10.704 17.660 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.322 11.678 16.186 1.00 0.00 H new ATOM 0 HG22 ILE A 113 21.824 13.380 16.324 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.416 12.180 17.497 1.00 0.00 H new ATOM 0 HD11 ILE A 113 20.441 9.911 19.872 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.817 10.622 18.996 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.015 11.543 20.291 1.00 0.00 H new ATOM 1690 N GLY A 114 19.960 16.213 18.184 1.00 0.00 N ATOM 1691 CA GLY A 114 20.122 17.587 17.697 1.00 0.00 C ATOM 1692 C GLY A 114 19.254 17.974 16.492 1.00 0.00 C ATOM 1693 O GLY A 114 19.435 19.073 15.971 1.00 0.00 O ATOM 0 H GLY A 114 19.040 16.043 18.591 1.00 0.00 H new ATOM 0 HA2 GLY A 114 19.900 18.271 18.516 1.00 0.00 H new ATOM 0 HA3 GLY A 114 21.168 17.737 17.431 1.00 0.00 H new ATOM 1697 N LYS A 115 18.347 17.100 16.025 1.00 0.00 N ATOM 1698 CA LYS A 115 17.504 17.338 14.838 1.00 0.00 C ATOM 1699 C LYS A 115 16.121 16.670 14.904 1.00 0.00 C ATOM 1700 O LYS A 115 15.586 16.497 16.020 1.00 0.00 O ATOM 1701 CB LYS A 115 18.292 16.965 13.562 1.00 0.00 C ATOM 1702 CG LYS A 115 18.739 15.491 13.509 1.00 0.00 C ATOM 1703 CD LYS A 115 18.807 14.941 12.072 1.00 0.00 C ATOM 1704 CE LYS A 115 17.535 14.178 11.666 1.00 0.00 C ATOM 1705 NZ LYS A 115 16.315 15.021 11.671 1.00 0.00 N ATOM 0 H LYS A 115 18.175 16.196 16.466 1.00 0.00 H new ATOM 0 HA LYS A 115 17.273 18.403 14.810 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.673 17.178 12.690 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.172 17.604 13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.719 15.396 13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.047 14.885 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.967 15.767 11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.667 14.278 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.674 13.759 10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.391 13.339 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.473 14.414 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.278 15.573 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.337 15.669 10.858 1.00 0.00 H new