USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 591 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 64 SER OG : rot 180:sc= 0.0277 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.25 USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.334 K(o=0.042,f=-2) USER MOD Set 2.2: A 63 HIS : no HE2:sc= -0.293 K(o=0.042,f=-2.7!) USER MOD Set 3.1: A 30 TYR OH : rot -52:sc= 1.06 USER MOD Set 3.2: A 71 SER OG : rot -88:sc= 2.12 USER MOD Set 4.1: A 15 HIS : no HD1:sc= 0.394 K(o=1.6,f=-8.3!) USER MOD Set 4.2: A 20 SER OG : rot -163:sc= 1.19 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 176:sc= 1.16 USER MOD Single : A 8 THR OG1 : rot -158:sc= 1.73 USER MOD Single : A 13 GLN : amide:sc= -0.0787 K(o=-0.079,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 2.29 (180deg=2.1) USER MOD Single : A 16 ASN : amide:sc= 0.155 X(o=0.15,f=-0.18) USER MOD Single : A 21 THR OG1 : rot -150:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.746) USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.327 USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 2.02 (180deg=1.78) USER MOD Single : A 49 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.1) USER MOD Single : A 55 THR OG1 : rot 24:sc= 0.529 USER MOD Single : A 57 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= -0.0707 (180deg=-0.948) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.586 K(o=-0.59,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -0.947 -7.429 -14.349 1.00 10.00 N ATOM 30 CA LYS A 5 -1.531 -8.543 -13.625 1.00 10.00 C ATOM 31 C LYS A 5 -2.425 -7.940 -12.548 1.00 10.00 C ATOM 32 O LYS A 5 -2.023 -6.985 -11.891 1.00 10.00 O ATOM 33 CB LYS A 5 -0.406 -9.407 -13.037 1.00 10.00 C ATOM 34 CG LYS A 5 -0.899 -10.725 -12.423 1.00 10.00 C ATOM 35 CD LYS A 5 -1.208 -11.761 -13.515 1.00 10.00 C ATOM 36 CE LYS A 5 -1.818 -13.027 -12.898 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.101 -14.060 -13.918 1.00 10.00 N ATOM 0 HA LYS A 5 -2.126 -9.194 -14.266 1.00 10.00 H new ATOM 0 HB2 LYS A 5 0.317 -9.630 -13.821 1.00 10.00 H new ATOM 0 HB3 LYS A 5 0.119 -8.834 -12.273 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -0.142 -11.120 -11.746 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -1.794 -10.541 -11.828 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.898 -11.335 -14.243 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.294 -12.015 -14.052 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.134 -13.432 -12.152 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.741 -12.769 -12.378 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.512 -14.898 -13.459 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.773 -13.683 -14.616 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.217 -14.326 -14.397 1.00 10.00 H new ATOM 51 N TYR A 6 -3.643 -8.457 -12.403 1.00 10.00 N ATOM 52 CA TYR A 6 -4.602 -7.991 -11.422 1.00 10.00 C ATOM 53 C TYR A 6 -4.649 -8.975 -10.257 1.00 10.00 C ATOM 54 O TYR A 6 -4.265 -10.133 -10.425 1.00 10.00 O ATOM 55 CB TYR A 6 -5.969 -7.831 -12.084 1.00 10.00 C ATOM 56 CG TYR A 6 -6.005 -6.906 -13.287 1.00 10.00 C ATOM 57 CD1 TYR A 6 -5.608 -7.370 -14.555 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.455 -5.582 -13.141 1.00 10.00 C ATOM 59 CE1 TYR A 6 -5.593 -6.493 -15.653 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.463 -4.711 -14.244 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.010 -5.161 -15.495 1.00 10.00 C ATOM 62 OH TYR A 6 -5.965 -4.309 -16.557 1.00 10.00 O ATOM 0 H TYR A 6 -3.991 -9.225 -12.977 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.304 -7.018 -11.030 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.322 -8.815 -12.393 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.673 -7.459 -11.340 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -5.315 -8.401 -14.684 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.796 -5.233 -12.177 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.261 -6.843 -16.619 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.817 -3.697 -14.130 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.288 -3.426 -16.282 1.00 10.00 H new ATOM 72 N TYR A 7 -5.098 -8.513 -9.086 1.00 10.00 N ATOM 73 CA TYR A 7 -5.090 -9.291 -7.854 1.00 10.00 C ATOM 74 C TYR A 7 -6.431 -9.130 -7.142 1.00 10.00 C ATOM 75 O TYR A 7 -7.011 -8.043 -7.145 1.00 10.00 O ATOM 76 CB TYR A 7 -3.937 -8.828 -6.960 1.00 10.00 C ATOM 77 CG TYR A 7 -2.620 -8.646 -7.688 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.828 -9.758 -8.032 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.255 -7.367 -8.140 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.647 -9.578 -8.775 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.090 -7.193 -8.898 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.278 -8.293 -9.208 1.00 10.00 C ATOM 83 OH TYR A 7 0.852 -8.127 -9.951 1.00 10.00 O ATOM 0 H TYR A 7 -5.481 -7.575 -8.971 1.00 10.00 H new ATOM 0 HA TYR A 7 -4.944 -10.346 -8.084 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.213 -7.884 -6.490 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.799 -9.554 -6.159 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.127 -10.749 -7.725 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.875 -6.515 -7.902 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.024 -10.427 -9.013 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.816 -6.208 -9.245 1.00 10.00 H new ATOM 0 HH TYR A 7 0.928 -7.189 -10.226 1.00 10.00 H new ATOM 93 N THR A 8 -6.950 -10.222 -6.585 1.00 10.00 N ATOM 94 CA THR A 8 -8.234 -10.263 -5.907 1.00 10.00 C ATOM 95 C THR A 8 -8.080 -9.654 -4.513 1.00 10.00 C ATOM 96 O THR A 8 -6.993 -9.692 -3.936 1.00 10.00 O ATOM 97 CB THR A 8 -8.667 -11.733 -5.794 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.663 -12.389 -5.053 1.00 10.00 O ATOM 99 CG2 THR A 8 -8.818 -12.399 -7.166 1.00 10.00 C ATOM 0 H THR A 8 -6.473 -11.124 -6.596 1.00 10.00 H new ATOM 0 HA THR A 8 -8.984 -9.697 -6.460 1.00 10.00 H new ATOM 0 HB THR A 8 -9.642 -11.795 -5.311 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.697 -13.351 -5.236 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.125 -13.437 -7.035 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.572 -11.868 -7.747 1.00 10.00 H new ATOM 0 HG23 THR A 8 -7.864 -12.367 -7.693 1.00 10.00 H new ATOM 107 N LEU A 9 -9.172 -9.143 -3.936 1.00 10.00 N ATOM 108 CA LEU A 9 -9.185 -8.715 -2.543 1.00 10.00 C ATOM 109 C LEU A 9 -8.619 -9.827 -1.655 1.00 10.00 C ATOM 110 O LEU A 9 -7.785 -9.579 -0.792 1.00 10.00 O ATOM 111 CB LEU A 9 -10.621 -8.363 -2.122 1.00 10.00 C ATOM 112 CG LEU A 9 -10.722 -7.003 -1.409 1.00 10.00 C ATOM 113 CD1 LEU A 9 -12.184 -6.718 -1.048 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.876 -6.947 -0.131 1.00 10.00 C ATOM 0 H LEU A 9 -10.061 -9.017 -4.420 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.562 -7.828 -2.428 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.260 -8.353 -3.005 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.002 -9.142 -1.462 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.339 -6.250 -2.098 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -12.253 -5.754 -0.543 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.785 -6.695 -1.957 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.555 -7.501 -0.387 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.983 -5.967 0.333 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.214 -7.716 0.563 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.829 -7.119 -0.380 1.00 10.00 H new ATOM 126 N GLU A 10 -9.067 -11.058 -1.913 1.00 10.00 N ATOM 127 CA GLU A 10 -8.616 -12.288 -1.282 1.00 10.00 C ATOM 128 C GLU A 10 -7.095 -12.369 -1.258 1.00 10.00 C ATOM 129 O GLU A 10 -6.480 -12.326 -0.195 1.00 10.00 O ATOM 130 CB GLU A 10 -9.247 -13.450 -2.061 1.00 10.00 C ATOM 131 CG GLU A 10 -8.771 -14.866 -1.713 1.00 10.00 C ATOM 132 CD GLU A 10 -9.063 -15.349 -0.302 1.00 10.00 C ATOM 133 OE1 GLU A 10 -9.740 -14.624 0.454 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.546 -16.452 -0.008 1.00 10.00 O ATOM 0 H GLU A 10 -9.795 -11.226 -2.608 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.928 -12.328 -0.238 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.326 -13.410 -1.912 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.065 -13.284 -3.123 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.230 -15.563 -2.414 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.694 -14.914 -1.875 1.00 10.00 H new ATOM 141 N GLU A 11 -6.484 -12.498 -2.433 1.00 10.00 N ATOM 142 CA GLU A 11 -5.043 -12.584 -2.549 1.00 10.00 C ATOM 143 C GLU A 11 -4.385 -11.404 -1.832 1.00 10.00 C ATOM 144 O GLU A 11 -3.539 -11.617 -0.966 1.00 10.00 O ATOM 145 CB GLU A 11 -4.650 -12.673 -4.026 1.00 10.00 C ATOM 146 CG GLU A 11 -4.605 -14.121 -4.549 1.00 10.00 C ATOM 147 CD GLU A 11 -5.809 -14.970 -4.157 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.863 -14.815 -4.813 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.650 -15.762 -3.199 1.00 10.00 O ATOM 0 H GLU A 11 -6.978 -12.545 -3.324 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.682 -13.490 -2.062 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.361 -12.099 -4.621 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.672 -12.212 -4.165 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.529 -14.100 -5.636 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.700 -14.601 -4.176 1.00 10.00 H new ATOM 156 N ILE A 12 -4.788 -10.168 -2.149 1.00 10.00 N ATOM 157 CA ILE A 12 -4.170 -8.989 -1.547 1.00 10.00 C ATOM 158 C ILE A 12 -4.233 -9.085 -0.012 1.00 10.00 C ATOM 159 O ILE A 12 -3.229 -8.843 0.659 1.00 10.00 O ATOM 160 CB ILE A 12 -4.786 -7.688 -2.105 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.721 -7.618 -3.646 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.041 -6.452 -1.571 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.762 -6.647 -4.207 1.00 10.00 C ATOM 0 H ILE A 12 -5.534 -9.963 -2.814 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.115 -8.956 -1.820 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.826 -7.695 -1.779 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.724 -7.303 -3.955 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.886 -8.611 -4.064 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.495 -5.549 -1.979 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.105 -6.430 -0.483 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.994 -6.500 -1.872 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.688 -6.623 -5.294 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.760 -6.977 -3.918 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.581 -5.649 -3.808 1.00 10.00 H new ATOM 175 N GLN A 13 -5.368 -9.517 0.553 1.00 10.00 N ATOM 176 CA GLN A 13 -5.554 -9.643 1.988 1.00 10.00 C ATOM 177 C GLN A 13 -4.526 -10.572 2.627 1.00 10.00 C ATOM 178 O GLN A 13 -4.201 -10.390 3.795 1.00 10.00 O ATOM 179 CB GLN A 13 -6.990 -10.088 2.284 1.00 10.00 C ATOM 180 CG GLN A 13 -7.964 -8.900 2.269 1.00 10.00 C ATOM 181 CD GLN A 13 -7.913 -8.088 3.560 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.497 -6.935 3.575 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.351 -8.682 4.666 1.00 10.00 N ATOM 0 H GLN A 13 -6.188 -9.790 0.011 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.391 -8.665 2.441 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.303 -10.825 1.545 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.027 -10.577 3.257 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.728 -8.251 1.426 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.978 -9.268 2.114 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.692 -9.642 4.628 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.346 -8.177 5.552 1.00 10.00 H new ATOM 192 N LYS A 14 -3.981 -11.550 1.903 1.00 10.00 N ATOM 193 CA LYS A 14 -2.980 -12.451 2.462 1.00 10.00 C ATOM 194 C LYS A 14 -1.660 -11.704 2.688 1.00 10.00 C ATOM 195 O LYS A 14 -0.902 -12.027 3.601 1.00 10.00 O ATOM 196 CB LYS A 14 -2.826 -13.688 1.563 1.00 10.00 C ATOM 197 CG LYS A 14 -4.193 -14.368 1.423 1.00 10.00 C ATOM 198 CD LYS A 14 -4.253 -15.518 0.411 1.00 10.00 C ATOM 199 CE LYS A 14 -5.737 -15.905 0.329 1.00 10.00 C ATOM 200 NZ LYS A 14 -6.088 -16.783 -0.801 1.00 10.00 N ATOM 0 H LYS A 14 -4.218 -11.736 0.928 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.307 -12.808 3.439 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.446 -13.398 0.583 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.102 -14.380 1.993 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.492 -14.749 2.399 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.927 -13.615 1.136 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.873 -15.207 -0.562 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.644 -16.361 0.736 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.020 -16.401 1.257 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.332 -14.994 0.261 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -7.122 -16.881 -0.856 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -5.732 -16.369 -1.686 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.658 -17.719 -0.659 1.00 10.00 H new ATOM 214 N HIS A 15 -1.402 -10.665 1.894 1.00 10.00 N ATOM 215 CA HIS A 15 -0.190 -9.869 1.954 1.00 10.00 C ATOM 216 C HIS A 15 -0.430 -8.697 2.909 1.00 10.00 C ATOM 217 O HIS A 15 -0.421 -7.537 2.495 1.00 10.00 O ATOM 218 CB HIS A 15 0.172 -9.398 0.541 1.00 10.00 C ATOM 219 CG HIS A 15 0.573 -10.487 -0.428 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.737 -10.515 -1.157 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.170 -11.569 -0.819 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.705 -11.595 -1.953 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.563 -12.277 -1.778 1.00 10.00 N ATOM 0 H HIS A 15 -2.052 -10.350 1.174 1.00 10.00 H new ATOM 0 HA HIS A 15 0.650 -10.452 2.331 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.682 -8.863 0.126 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.991 -8.682 0.615 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.151 -11.830 -0.451 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.490 -11.876 -2.639 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.285 -13.138 -2.249 1.00 10.00 H new ATOM 231 N ASN A 16 -0.653 -9.020 4.188 1.00 10.00 N ATOM 232 CA ASN A 16 -0.991 -8.058 5.240 1.00 10.00 C ATOM 233 C ASN A 16 0.006 -8.068 6.405 1.00 10.00 C ATOM 234 O ASN A 16 -0.355 -7.664 7.507 1.00 10.00 O ATOM 235 CB ASN A 16 -2.411 -8.320 5.776 1.00 10.00 C ATOM 236 CG ASN A 16 -2.487 -9.618 6.584 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.457 -9.626 7.810 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.572 -10.746 5.892 1.00 10.00 N ATOM 0 H ASN A 16 -0.602 -9.981 4.527 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.942 -7.072 4.779 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.722 -7.484 6.402 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.110 -8.371 4.941 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.614 -11.641 6.379 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.596 -10.718 4.873 1.00 10.00 H new ATOM 292 N SER A 20 4.772 -9.958 3.433 1.00 10.00 N ATOM 293 CA SER A 20 4.357 -9.144 2.304 1.00 10.00 C ATOM 294 C SER A 20 3.281 -8.155 2.758 1.00 10.00 C ATOM 295 O SER A 20 2.402 -8.517 3.543 1.00 10.00 O ATOM 296 CB SER A 20 3.903 -10.000 1.122 1.00 10.00 C ATOM 297 OG SER A 20 3.818 -9.185 -0.034 1.00 10.00 O ATOM 0 HA SER A 20 5.214 -8.575 1.943 1.00 10.00 H new ATOM 0 HB2 SER A 20 4.607 -10.816 0.956 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.935 -10.453 1.335 1.00 10.00 H new ATOM 0 HG SER A 20 3.283 -9.641 -0.717 1.00 10.00 H new ATOM 303 N THR A 21 3.381 -6.921 2.258 1.00 10.00 N ATOM 304 CA THR A 21 2.509 -5.796 2.555 1.00 10.00 C ATOM 305 C THR A 21 2.047 -5.215 1.226 1.00 10.00 C ATOM 306 O THR A 21 2.709 -4.341 0.661 1.00 10.00 O ATOM 307 CB THR A 21 3.251 -4.761 3.418 1.00 10.00 C ATOM 308 OG1 THR A 21 3.401 -5.314 4.712 1.00 10.00 O ATOM 309 CG2 THR A 21 2.516 -3.413 3.498 1.00 10.00 C ATOM 0 H THR A 21 4.117 -6.672 1.597 1.00 10.00 H new ATOM 0 HA THR A 21 1.639 -6.110 3.132 1.00 10.00 H new ATOM 0 HB THR A 21 4.217 -4.550 2.960 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.411 -4.594 5.376 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.087 -2.724 4.120 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.411 -2.996 2.496 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.528 -3.562 3.934 1.00 10.00 H new ATOM 317 N TRP A 22 0.917 -5.725 0.734 1.00 10.00 N ATOM 318 CA TRP A 22 0.189 -5.146 -0.375 1.00 10.00 C ATOM 319 C TRP A 22 -0.980 -4.358 0.203 1.00 10.00 C ATOM 320 O TRP A 22 -1.326 -4.527 1.370 1.00 10.00 O ATOM 321 CB TRP A 22 -0.335 -6.248 -1.294 1.00 10.00 C ATOM 322 CG TRP A 22 0.657 -7.106 -2.017 1.00 10.00 C ATOM 323 CD1 TRP A 22 1.996 -7.116 -1.845 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.397 -8.051 -3.096 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.577 -7.956 -2.767 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.640 -8.559 -3.574 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.768 -8.505 -3.743 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.724 -9.458 -4.647 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.702 -9.432 -4.795 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.540 -9.901 -5.258 1.00 10.00 C ATOM 0 H TRP A 22 0.481 -6.568 1.108 1.00 10.00 H new ATOM 0 HA TRP A 22 0.841 -4.497 -0.959 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.968 -6.904 -0.697 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.976 -5.780 -2.041 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.531 -6.550 -1.097 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.582 -8.113 -2.843 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.730 -8.133 -3.424 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.685 -9.804 -4.998 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.613 -9.788 -5.253 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.583 -10.599 -6.081 1.00 10.00 H new ATOM 341 N LEU A 23 -1.606 -3.512 -0.611 1.00 10.00 N ATOM 342 CA LEU A 23 -2.769 -2.728 -0.234 1.00 10.00 C ATOM 343 C LEU A 23 -3.316 -2.054 -1.483 1.00 10.00 C ATOM 344 O LEU A 23 -2.626 -2.018 -2.505 1.00 10.00 O ATOM 345 CB LEU A 23 -2.455 -1.734 0.895 1.00 10.00 C ATOM 346 CG LEU A 23 -1.132 -0.974 0.722 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.283 0.245 -0.183 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.679 -0.472 2.089 1.00 10.00 C ATOM 0 H LEU A 23 -1.308 -3.352 -1.573 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.537 -3.383 0.178 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.268 -1.012 0.963 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.428 -2.274 1.841 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.414 -1.659 0.272 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.322 0.751 -0.276 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.622 -0.073 -1.169 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.013 0.930 0.248 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.260 0.071 1.984 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.438 0.192 2.502 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.535 -1.320 2.759 1.00 10.00 H new ATOM 360 N ILE A 24 -4.551 -1.555 -1.387 1.00 10.00 N ATOM 361 CA ILE A 24 -5.329 -0.977 -2.470 1.00 10.00 C ATOM 362 C ILE A 24 -5.495 0.513 -2.194 1.00 10.00 C ATOM 363 O ILE A 24 -6.154 0.899 -1.222 1.00 10.00 O ATOM 364 CB ILE A 24 -6.703 -1.663 -2.592 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.542 -3.137 -2.995 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.564 -0.937 -3.638 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.825 -3.937 -2.728 1.00 10.00 C ATOM 0 H ILE A 24 -5.056 -1.546 -0.501 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.809 -1.127 -3.416 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.194 -1.616 -1.620 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.286 -3.200 -4.053 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.714 -3.579 -2.440 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.533 -1.430 -3.717 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.708 0.100 -3.335 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.063 -0.966 -4.605 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.675 -4.975 -3.025 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.066 -3.895 -1.666 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.646 -3.510 -3.304 1.00 10.00 H new ATOM 379 N LEU A 25 -4.912 1.334 -3.070 1.00 10.00 N ATOM 380 CA LEU A 25 -5.134 2.766 -3.130 1.00 10.00 C ATOM 381 C LEU A 25 -5.807 3.018 -4.481 1.00 10.00 C ATOM 382 O LEU A 25 -5.212 2.749 -5.522 1.00 10.00 O ATOM 383 CB LEU A 25 -3.796 3.513 -3.015 1.00 10.00 C ATOM 384 CG LEU A 25 -3.161 3.748 -1.636 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.704 2.819 -0.570 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.631 3.644 -1.712 1.00 10.00 C ATOM 0 H LEU A 25 -4.254 1.003 -3.775 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.758 3.125 -2.311 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.069 2.969 -3.618 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.929 4.489 -3.481 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.434 4.761 -1.340 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.217 3.033 0.382 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.779 2.969 -0.470 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.507 1.785 -0.854 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.205 3.814 -0.723 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.351 2.650 -2.062 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.249 4.394 -2.405 1.00 10.00 H new ATOM 398 N HIS A 26 -7.061 3.480 -4.480 1.00 10.00 N ATOM 399 CA HIS A 26 -7.805 3.826 -5.694 1.00 10.00 C ATOM 400 C HIS A 26 -7.813 2.669 -6.700 1.00 10.00 C ATOM 401 O HIS A 26 -7.525 2.853 -7.882 1.00 10.00 O ATOM 402 CB HIS A 26 -7.252 5.108 -6.334 1.00 10.00 C ATOM 403 CG HIS A 26 -7.130 6.259 -5.374 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.112 7.167 -5.051 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.016 6.570 -4.647 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.592 8.011 -4.142 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.322 7.678 -3.859 1.00 10.00 N ATOM 0 H HIS A 26 -7.595 3.626 -3.623 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.838 4.013 -5.401 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.271 4.897 -6.761 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.902 5.401 -7.158 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.058 7.195 -5.430 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.069 6.051 -4.677 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.122 8.842 -3.701 1.00 10.00 H new ATOM 415 N TYR A 27 -8.119 1.463 -6.212 1.00 10.00 N ATOM 416 CA TYR A 27 -8.189 0.234 -6.997 1.00 10.00 C ATOM 417 C TYR A 27 -6.830 -0.235 -7.535 1.00 10.00 C ATOM 418 O TYR A 27 -6.780 -1.272 -8.195 1.00 10.00 O ATOM 419 CB TYR A 27 -9.229 0.351 -8.123 1.00 10.00 C ATOM 420 CG TYR A 27 -10.554 0.958 -7.701 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.345 0.314 -6.732 1.00 10.00 C ATOM 422 CD2 TYR A 27 -10.974 2.190 -8.237 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.551 0.895 -6.306 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.184 2.768 -7.815 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.973 2.119 -6.850 1.00 10.00 C ATOM 426 OH TYR A 27 -14.142 2.678 -6.430 1.00 10.00 O ATOM 0 H TYR A 27 -8.331 1.314 -5.226 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.515 -0.543 -6.305 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.808 0.955 -8.927 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.414 -0.642 -8.533 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -11.024 -0.629 -6.315 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.365 2.692 -8.974 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.154 0.400 -5.559 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.507 3.710 -8.232 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.289 3.524 -6.903 1.00 10.00 H new ATOM 436 N LYS A 28 -5.735 0.485 -7.262 1.00 10.00 N ATOM 437 CA LYS A 28 -4.394 0.113 -7.685 1.00 10.00 C ATOM 438 C LYS A 28 -3.679 -0.552 -6.514 1.00 10.00 C ATOM 439 O LYS A 28 -3.743 -0.051 -5.389 1.00 10.00 O ATOM 440 CB LYS A 28 -3.659 1.348 -8.216 1.00 10.00 C ATOM 441 CG LYS A 28 -4.234 1.718 -9.587 1.00 10.00 C ATOM 442 CD LYS A 28 -3.753 3.102 -10.033 1.00 10.00 C ATOM 443 CE LYS A 28 -4.027 3.335 -11.526 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.432 3.061 -11.900 1.00 10.00 N ATOM 0 H LYS A 28 -5.764 1.356 -6.732 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.425 -0.606 -8.504 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.773 2.181 -7.522 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.591 1.145 -8.298 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.936 0.972 -10.323 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.323 1.705 -9.543 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.255 3.870 -9.445 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.685 3.198 -9.838 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.783 4.367 -11.779 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.368 2.698 -12.116 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.609 3.408 -12.864 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.608 2.037 -11.863 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.069 3.546 -11.236 1.00 10.00 H new ATOM 458 N VAL A 29 -3.053 -1.704 -6.780 1.00 10.00 N ATOM 459 CA VAL A 29 -2.377 -2.497 -5.771 1.00 10.00 C ATOM 460 C VAL A 29 -0.898 -2.118 -5.728 1.00 10.00 C ATOM 461 O VAL A 29 -0.228 -2.066 -6.767 1.00 10.00 O ATOM 462 CB VAL A 29 -2.558 -4.004 -6.005 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.209 -4.770 -4.722 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.997 -4.351 -6.381 1.00 10.00 C ATOM 0 H VAL A 29 -3.006 -2.108 -7.715 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.830 -2.277 -4.804 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.898 -4.286 -6.826 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.338 -5.839 -4.890 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -1.173 -4.568 -4.448 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.867 -4.447 -3.915 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.083 -5.426 -6.538 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.667 -4.047 -5.576 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.270 -3.828 -7.297 1.00 10.00 H new ATOM 474 N TYR A 30 -0.404 -1.862 -4.517 1.00 10.00 N ATOM 475 CA TYR A 30 0.952 -1.403 -4.265 1.00 10.00 C ATOM 476 C TYR A 30 1.626 -2.330 -3.255 1.00 10.00 C ATOM 477 O TYR A 30 1.190 -2.374 -2.106 1.00 10.00 O ATOM 478 CB TYR A 30 0.866 0.033 -3.740 1.00 10.00 C ATOM 479 CG TYR A 30 0.333 1.012 -4.767 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.173 1.442 -5.806 1.00 10.00 C ATOM 481 CD2 TYR A 30 -1.013 1.428 -4.750 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.714 2.395 -6.729 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.461 2.389 -5.677 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.565 2.943 -6.598 1.00 10.00 C ATOM 485 OH TYR A 30 -0.869 4.093 -7.261 1.00 10.00 O ATOM 0 H TYR A 30 -0.954 -1.973 -3.665 1.00 10.00 H new ATOM 0 HA TYR A 30 1.552 -1.420 -5.175 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.223 0.054 -2.860 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.856 0.356 -3.419 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.171 1.040 -5.895 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.699 1.011 -4.028 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.352 2.706 -7.543 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.496 2.698 -5.677 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.194 4.775 -7.060 1.00 10.00 H new ATOM 495 N ASP A 31 2.673 -3.058 -3.671 1.00 10.00 N ATOM 496 CA ASP A 31 3.513 -3.841 -2.764 1.00 10.00 C ATOM 497 C ASP A 31 4.661 -2.961 -2.305 1.00 10.00 C ATOM 498 O ASP A 31 5.464 -2.551 -3.140 1.00 10.00 O ATOM 499 CB ASP A 31 4.099 -5.081 -3.456 1.00 10.00 C ATOM 500 CG ASP A 31 4.905 -5.964 -2.494 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.261 -5.486 -1.393 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.099 -7.149 -2.842 1.00 10.00 O ATOM 0 H ASP A 31 2.958 -3.118 -4.648 1.00 10.00 H new ATOM 0 HA ASP A 31 2.899 -4.176 -1.928 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.289 -5.667 -3.891 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.741 -4.765 -4.278 1.00 10.00 H new ATOM 507 N LEU A 32 4.751 -2.669 -1.005 1.00 10.00 N ATOM 508 CA LEU A 32 5.864 -1.938 -0.430 1.00 10.00 C ATOM 509 C LEU A 32 6.567 -2.758 0.655 1.00 10.00 C ATOM 510 O LEU A 32 7.153 -2.190 1.575 1.00 10.00 O ATOM 511 CB LEU A 32 5.357 -0.607 0.120 1.00 10.00 C ATOM 512 CG LEU A 32 4.440 0.156 -0.859 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.982 0.092 -0.391 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.935 1.594 -0.995 1.00 10.00 C ATOM 0 H LEU A 32 4.043 -2.939 -0.323 1.00 10.00 H new ATOM 0 HA LEU A 32 6.604 -1.744 -1.207 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.813 -0.790 1.047 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.211 0.022 0.370 1.00 10.00 H new ATOM 0 HG LEU A 32 4.478 -0.313 -1.842 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.350 0.635 -1.094 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.660 -0.948 -0.344 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.897 0.543 0.597 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.290 2.137 -1.686 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.913 2.080 -0.020 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.956 1.593 -1.377 1.00 10.00 H new ATOM 526 N THR A 33 6.532 -4.088 0.559 1.00 10.00 N ATOM 527 CA THR A 33 7.072 -4.981 1.581 1.00 10.00 C ATOM 528 C THR A 33 8.520 -4.665 1.940 1.00 10.00 C ATOM 529 O THR A 33 8.883 -4.614 3.111 1.00 10.00 O ATOM 530 CB THR A 33 6.914 -6.444 1.153 1.00 10.00 C ATOM 531 OG1 THR A 33 7.187 -7.283 2.256 1.00 10.00 O ATOM 532 CG2 THR A 33 7.783 -6.891 -0.023 1.00 10.00 C ATOM 0 H THR A 33 6.124 -4.578 -0.237 1.00 10.00 H new ATOM 0 HA THR A 33 6.491 -4.815 2.488 1.00 10.00 H new ATOM 0 HB THR A 33 5.884 -6.525 0.806 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.400 -8.184 1.936 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.590 -7.942 -0.239 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.545 -6.290 -0.901 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.835 -6.760 0.232 1.00 10.00 H new ATOM 540 N LYS A 34 9.349 -4.423 0.926 1.00 10.00 N ATOM 541 CA LYS A 34 10.764 -4.162 1.133 1.00 10.00 C ATOM 542 C LYS A 34 10.998 -2.711 1.576 1.00 10.00 C ATOM 543 O LYS A 34 12.148 -2.295 1.689 1.00 10.00 O ATOM 544 CB LYS A 34 11.529 -4.479 -0.160 1.00 10.00 C ATOM 545 CG LYS A 34 13.003 -4.807 0.132 1.00 10.00 C ATOM 546 CD LYS A 34 13.962 -4.305 -0.958 1.00 10.00 C ATOM 547 CE LYS A 34 14.069 -2.772 -1.064 1.00 10.00 C ATOM 548 NZ LYS A 34 14.378 -2.122 0.227 1.00 10.00 N ATOM 0 H LYS A 34 9.058 -4.403 -0.051 1.00 10.00 H new ATOM 0 HA LYS A 34 11.135 -4.804 1.932 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.059 -5.323 -0.666 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.471 -3.628 -0.838 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.285 -4.364 1.087 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.115 -5.886 0.236 1.00 10.00 H new ATOM 0 HD2 LYS A 34 14.954 -4.713 -0.766 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.636 -4.700 -1.920 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.844 -2.517 -1.787 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.130 -2.374 -1.449 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.454 -1.094 0.089 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.619 -2.325 0.908 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.279 -2.489 0.594 1.00 10.00 H new ATOM 562 N PHE A 35 9.929 -1.929 1.746 1.00 10.00 N ATOM 563 CA PHE A 35 9.957 -0.485 1.905 1.00 10.00 C ATOM 564 C PHE A 35 9.246 -0.080 3.196 1.00 10.00 C ATOM 565 O PHE A 35 8.910 1.088 3.363 1.00 10.00 O ATOM 566 CB PHE A 35 9.253 0.129 0.690 1.00 10.00 C ATOM 567 CG PHE A 35 9.823 1.442 0.196 1.00 10.00 C ATOM 568 CD1 PHE A 35 11.137 1.494 -0.301 1.00 10.00 C ATOM 569 CD2 PHE A 35 9.064 2.625 0.293 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.701 2.727 -0.673 1.00 10.00 C ATOM 571 CE2 PHE A 35 9.616 3.852 -0.113 1.00 10.00 C ATOM 572 CZ PHE A 35 10.937 3.904 -0.589 1.00 10.00 C ATOM 0 H PHE A 35 8.982 -2.308 1.777 1.00 10.00 H new ATOM 0 HA PHE A 35 10.985 -0.128 1.968 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.285 -0.591 -0.128 1.00 10.00 H new ATOM 0 HB3 PHE A 35 8.203 0.281 0.940 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.714 0.586 -0.397 1.00 10.00 H new ATOM 0 HD2 PHE A 35 8.056 2.589 0.680 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.722 2.770 -1.023 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.025 4.754 -0.059 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.365 4.848 -0.890 1.00 10.00 H new ATOM 582 N LEU A 36 8.983 -1.025 4.103 1.00 10.00 N ATOM 583 CA LEU A 36 8.281 -0.732 5.341 1.00 10.00 C ATOM 584 C LEU A 36 9.093 0.264 6.160 1.00 10.00 C ATOM 585 O LEU A 36 8.626 1.362 6.449 1.00 10.00 O ATOM 586 CB LEU A 36 8.017 -2.034 6.111 1.00 10.00 C ATOM 587 CG LEU A 36 7.043 -2.963 5.375 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.039 -4.336 6.052 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.627 -2.386 5.363 1.00 10.00 C ATOM 0 H LEU A 36 9.251 -2.003 3.995 1.00 10.00 H new ATOM 0 HA LEU A 36 7.313 -0.278 5.127 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.961 -2.555 6.271 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.613 -1.795 7.095 1.00 10.00 H new ATOM 0 HG LEU A 36 7.375 -3.060 4.341 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.347 -4.997 5.530 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.042 -4.761 6.019 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.725 -4.229 7.090 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.961 -3.068 4.834 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.277 -2.259 6.387 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.632 -1.420 4.859 1.00 10.00 H new ATOM 601 N GLU A 37 10.325 -0.110 6.491 1.00 10.00 N ATOM 602 CA GLU A 37 11.272 0.713 7.220 1.00 10.00 C ATOM 603 C GLU A 37 11.566 2.005 6.449 1.00 10.00 C ATOM 604 O GLU A 37 11.774 3.059 7.045 1.00 10.00 O ATOM 605 CB GLU A 37 12.553 -0.096 7.469 1.00 10.00 C ATOM 606 CG GLU A 37 12.319 -1.409 8.245 1.00 10.00 C ATOM 607 CD GLU A 37 11.827 -2.594 7.410 1.00 10.00 C ATOM 608 OE1 GLU A 37 11.630 -2.408 6.188 1.00 10.00 O ATOM 609 OE2 GLU A 37 11.628 -3.666 8.018 1.00 10.00 O ATOM 0 H GLU A 37 10.700 -1.027 6.249 1.00 10.00 H new ATOM 0 HA GLU A 37 10.846 1.000 8.182 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.017 -0.329 6.510 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.260 0.522 8.023 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.252 -1.693 8.732 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.593 -1.218 9.035 1.00 10.00 H new ATOM 616 N GLU A 38 11.600 1.910 5.117 1.00 10.00 N ATOM 617 CA GLU A 38 11.881 3.024 4.230 1.00 10.00 C ATOM 618 C GLU A 38 10.749 4.058 4.252 1.00 10.00 C ATOM 619 O GLU A 38 11.008 5.259 4.209 1.00 10.00 O ATOM 620 CB GLU A 38 12.135 2.483 2.821 1.00 10.00 C ATOM 621 CG GLU A 38 13.311 1.492 2.808 1.00 10.00 C ATOM 622 CD GLU A 38 13.978 1.407 1.440 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.502 2.444 0.987 1.00 10.00 O ATOM 624 OE2 GLU A 38 13.966 0.300 0.857 1.00 10.00 O ATOM 0 H GLU A 38 11.428 1.035 4.622 1.00 10.00 H new ATOM 0 HA GLU A 38 12.774 3.545 4.574 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.236 1.989 2.451 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.346 3.311 2.144 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.048 1.796 3.551 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.954 0.504 3.098 1.00 10.00 H new ATOM 631 N HIS A 39 9.495 3.601 4.308 1.00 10.00 N ATOM 632 CA HIS A 39 8.332 4.476 4.386 1.00 10.00 C ATOM 633 C HIS A 39 8.436 5.354 5.641 1.00 10.00 C ATOM 634 O HIS A 39 8.361 4.831 6.752 1.00 10.00 O ATOM 635 CB HIS A 39 7.035 3.654 4.404 1.00 10.00 C ATOM 636 CG HIS A 39 5.781 4.490 4.527 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.909 4.492 5.595 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.262 5.319 3.565 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.885 5.302 5.264 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.053 5.842 4.041 1.00 10.00 N ATOM 0 H HIS A 39 9.262 2.608 4.300 1.00 10.00 H new ATOM 0 HA HIS A 39 8.308 5.117 3.504 1.00 10.00 H new ATOM 0 HB2 HIS A 39 6.978 3.064 3.490 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.074 2.951 5.236 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.018 3.978 6.469 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.709 5.532 2.605 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.034 5.495 5.900 1.00 10.00 H new ATOM 648 N PRO A 40 8.582 6.682 5.503 1.00 10.00 N ATOM 649 CA PRO A 40 8.801 7.552 6.647 1.00 10.00 C ATOM 650 C PRO A 40 7.566 7.586 7.547 1.00 10.00 C ATOM 651 O PRO A 40 7.686 7.680 8.767 1.00 10.00 O ATOM 652 CB PRO A 40 9.132 8.926 6.058 1.00 10.00 C ATOM 653 CG PRO A 40 8.423 8.913 4.704 1.00 10.00 C ATOM 654 CD PRO A 40 8.540 7.452 4.269 1.00 10.00 C ATOM 0 HA PRO A 40 9.613 7.201 7.284 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.769 9.733 6.694 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.207 9.067 5.947 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.383 9.226 4.790 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.901 9.586 3.992 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.692 7.157 3.651 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.439 7.290 3.674 1.00 10.00 H new ATOM 662 N GLY A 41 6.370 7.493 6.959 1.00 10.00 N ATOM 663 CA GLY A 41 5.111 7.581 7.679 1.00 10.00 C ATOM 664 C GLY A 41 4.759 6.313 8.451 1.00 10.00 C ATOM 665 O GLY A 41 3.629 5.840 8.358 1.00 10.00 O ATOM 0 H GLY A 41 6.255 7.353 5.955 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.158 8.419 8.375 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.312 7.799 6.971 1.00 10.00 H new ATOM 669 N GLY A 42 5.709 5.772 9.214 1.00 10.00 N ATOM 670 CA GLY A 42 5.508 4.601 10.047 1.00 10.00 C ATOM 671 C GLY A 42 5.524 3.305 9.234 1.00 10.00 C ATOM 672 O GLY A 42 4.725 3.118 8.309 1.00 10.00 O ATOM 0 H GLY A 42 6.656 6.148 9.267 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.287 4.560 10.808 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.556 4.688 10.570 1.00 10.00 H new ATOM 676 N GLU A 43 6.410 2.384 9.625 1.00 10.00 N ATOM 677 CA GLU A 43 6.412 1.022 9.125 1.00 10.00 C ATOM 678 C GLU A 43 5.173 0.294 9.667 1.00 10.00 C ATOM 679 O GLU A 43 4.360 -0.205 8.893 1.00 10.00 O ATOM 680 CB GLU A 43 7.779 0.364 9.394 1.00 10.00 C ATOM 681 CG GLU A 43 8.272 0.252 10.844 1.00 10.00 C ATOM 682 CD GLU A 43 7.632 -0.912 11.570 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.718 -2.053 11.062 1.00 10.00 O ATOM 684 OE2 GLU A 43 6.918 -0.633 12.550 1.00 10.00 O ATOM 0 H GLU A 43 7.148 2.573 10.303 1.00 10.00 H new ATOM 0 HA GLU A 43 6.314 0.975 8.040 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.749 -0.642 8.977 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.529 0.920 8.832 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.355 0.133 10.851 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.050 1.177 11.375 1.00 10.00 H new ATOM 691 N ALA A 44 4.970 0.305 10.990 1.00 10.00 N ATOM 692 CA ALA A 44 3.775 -0.202 11.651 1.00 10.00 C ATOM 693 C ALA A 44 2.504 0.347 11.017 1.00 10.00 C ATOM 694 O ALA A 44 1.598 -0.418 10.717 1.00 10.00 O ATOM 695 CB ALA A 44 3.813 0.140 13.144 1.00 10.00 C ATOM 0 H ALA A 44 5.657 0.680 11.644 1.00 10.00 H new ATOM 0 HA ALA A 44 3.763 -1.285 11.530 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.915 -0.244 13.628 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.693 -0.315 13.599 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.858 1.222 13.268 1.00 10.00 H new ATOM 701 N VAL A 45 2.433 1.662 10.810 1.00 10.00 N ATOM 702 CA VAL A 45 1.270 2.312 10.216 1.00 10.00 C ATOM 703 C VAL A 45 0.959 1.689 8.851 1.00 10.00 C ATOM 704 O VAL A 45 -0.162 1.245 8.597 1.00 10.00 O ATOM 705 CB VAL A 45 1.536 3.826 10.136 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.464 4.566 9.331 1.00 10.00 C ATOM 707 CG2 VAL A 45 1.613 4.433 11.543 1.00 10.00 C ATOM 0 H VAL A 45 3.185 2.307 11.052 1.00 10.00 H new ATOM 0 HA VAL A 45 0.385 2.160 10.834 1.00 10.00 H new ATOM 0 HB VAL A 45 2.490 3.947 9.622 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.698 5.630 9.305 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.438 4.175 8.314 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.509 4.420 9.800 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.802 5.504 11.467 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.670 4.266 12.063 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.423 3.960 12.099 1.00 10.00 H new ATOM 717 N LEU A 46 1.961 1.631 7.973 1.00 10.00 N ATOM 718 CA LEU A 46 1.824 1.039 6.658 1.00 10.00 C ATOM 719 C LEU A 46 1.450 -0.449 6.769 1.00 10.00 C ATOM 720 O LEU A 46 0.579 -0.927 6.044 1.00 10.00 O ATOM 721 CB LEU A 46 3.136 1.324 5.915 1.00 10.00 C ATOM 722 CG LEU A 46 3.313 0.570 4.601 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.169 0.812 3.616 1.00 10.00 C ATOM 724 CD2 LEU A 46 4.624 1.014 3.944 1.00 10.00 C ATOM 0 H LEU A 46 2.893 1.998 8.163 1.00 10.00 H new ATOM 0 HA LEU A 46 1.005 1.471 6.083 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.196 2.393 5.713 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.969 1.077 6.573 1.00 10.00 H new ATOM 0 HG LEU A 46 3.323 -0.493 4.840 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.352 0.249 2.701 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.230 0.485 4.062 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.109 1.875 3.382 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.759 0.480 3.004 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.589 2.086 3.751 1.00 10.00 H new ATOM 0 HD23 LEU A 46 5.458 0.792 4.610 1.00 10.00 H new ATOM 736 N ARG A 47 2.069 -1.185 7.696 1.00 10.00 N ATOM 737 CA ARG A 47 1.816 -2.608 7.884 1.00 10.00 C ATOM 738 C ARG A 47 0.365 -2.817 8.324 1.00 10.00 C ATOM 739 O ARG A 47 -0.330 -3.688 7.818 1.00 10.00 O ATOM 740 CB ARG A 47 2.817 -3.188 8.899 1.00 10.00 C ATOM 741 CG ARG A 47 2.712 -4.718 8.992 1.00 10.00 C ATOM 742 CD ARG A 47 3.564 -5.339 10.110 1.00 10.00 C ATOM 743 NE ARG A 47 5.014 -5.284 9.845 1.00 10.00 N ATOM 744 CZ ARG A 47 5.852 -4.306 10.230 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.397 -3.252 10.900 1.00 10.00 N ATOM 746 NH2 ARG A 47 7.160 -4.363 9.970 1.00 10.00 N ATOM 0 H ARG A 47 2.763 -0.804 8.339 1.00 10.00 H new ATOM 0 HA ARG A 47 1.959 -3.140 6.944 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.830 -2.910 8.610 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.634 -2.751 9.881 1.00 10.00 H new ATOM 0 HG2 ARG A 47 1.669 -4.991 9.151 1.00 10.00 H new ATOM 0 HG3 ARG A 47 3.013 -5.151 8.038 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.354 -4.821 11.046 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.267 -6.379 10.247 1.00 10.00 H new ATOM 0 HE ARG A 47 5.418 -6.060 9.321 1.00 10.00 H new ATOM 0 HH11 ARG A 47 4.405 -3.181 11.126 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.040 -2.515 11.188 1.00 10.00 H new ATOM 0 HH21 ARG A 47 7.546 -5.163 9.468 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.774 -3.607 10.274 1.00 10.00 H new ATOM 760 N ALA A 48 -0.103 -2.003 9.265 1.00 10.00 N ATOM 761 CA ALA A 48 -1.424 -2.100 9.860 1.00 10.00 C ATOM 762 C ALA A 48 -2.523 -1.970 8.804 1.00 10.00 C ATOM 763 O ALA A 48 -3.547 -2.641 8.884 1.00 10.00 O ATOM 764 CB ALA A 48 -1.541 -1.009 10.923 1.00 10.00 C ATOM 0 H ALA A 48 0.448 -1.233 9.644 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.554 -3.081 10.318 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.526 -1.058 11.388 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.773 -1.157 11.683 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.408 -0.032 10.458 1.00 10.00 H new ATOM 770 N GLN A 49 -2.310 -1.091 7.822 1.00 10.00 N ATOM 771 CA GLN A 49 -3.219 -0.882 6.706 1.00 10.00 C ATOM 772 C GLN A 49 -2.988 -1.861 5.552 1.00 10.00 C ATOM 773 O GLN A 49 -3.757 -1.868 4.591 1.00 10.00 O ATOM 774 CB GLN A 49 -3.029 0.560 6.243 1.00 10.00 C ATOM 775 CG GLN A 49 -3.842 1.530 7.108 1.00 10.00 C ATOM 776 CD GLN A 49 -5.341 1.375 6.874 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.859 1.866 5.879 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.053 0.710 7.778 1.00 10.00 N ATOM 0 H GLN A 49 -1.483 -0.496 7.785 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.242 -1.065 7.035 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.973 0.824 6.290 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.335 0.654 5.201 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.618 1.354 8.160 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.543 2.554 6.885 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.593 0.312 8.597 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.059 0.598 7.653 1.00 10.00 H new ATOM 787 N ALA A 50 -1.939 -2.678 5.622 1.00 10.00 N ATOM 788 CA ALA A 50 -1.701 -3.714 4.632 1.00 10.00 C ATOM 789 C ALA A 50 -2.898 -4.667 4.545 1.00 10.00 C ATOM 790 O ALA A 50 -3.528 -4.965 5.558 1.00 10.00 O ATOM 791 CB ALA A 50 -0.434 -4.482 4.993 1.00 10.00 C ATOM 0 H ALA A 50 -1.238 -2.638 6.362 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.572 -3.247 3.656 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.256 -5.259 4.250 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.414 -3.797 5.012 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.553 -4.939 5.975 1.00 10.00 H new ATOM 797 N GLY A 51 -3.193 -5.165 3.343 1.00 10.00 N ATOM 798 CA GLY A 51 -4.213 -6.174 3.104 1.00 10.00 C ATOM 799 C GLY A 51 -5.193 -5.763 2.007 1.00 10.00 C ATOM 800 O GLY A 51 -5.622 -6.598 1.216 1.00 10.00 O ATOM 0 H GLY A 51 -2.715 -4.868 2.492 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.734 -7.113 2.826 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.762 -6.358 4.028 1.00 10.00 H new ATOM 804 N GLY A 52 -5.579 -4.490 1.932 1.00 10.00 N ATOM 805 CA GLY A 52 -6.647 -4.115 1.021 1.00 10.00 C ATOM 806 C GLY A 52 -6.883 -2.618 1.079 1.00 10.00 C ATOM 807 O GLY A 52 -5.914 -1.865 1.024 1.00 10.00 O ATOM 0 H GLY A 52 -5.179 -3.725 2.475 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -6.388 -4.411 0.004 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.562 -4.645 1.284 1.00 10.00 H new ATOM 811 N ASP A 53 -8.149 -2.192 1.159 1.00 10.00 N ATOM 812 CA ASP A 53 -8.493 -0.778 1.119 1.00 10.00 C ATOM 813 C ASP A 53 -7.722 -0.002 2.183 1.00 10.00 C ATOM 814 O ASP A 53 -7.989 -0.142 3.375 1.00 10.00 O ATOM 815 CB ASP A 53 -9.999 -0.548 1.299 1.00 10.00 C ATOM 816 CG ASP A 53 -10.324 0.948 1.297 1.00 10.00 C ATOM 817 OD1 ASP A 53 -9.494 1.727 0.768 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.401 1.294 1.824 1.00 10.00 O ATOM 0 H ASP A 53 -8.951 -2.815 1.252 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.211 -0.411 0.132 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.546 -1.045 0.497 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.330 -0.996 2.236 1.00 10.00 H new ATOM 823 N ALA A 54 -6.789 0.832 1.729 1.00 10.00 N ATOM 824 CA ALA A 54 -6.223 1.895 2.536 1.00 10.00 C ATOM 825 C ALA A 54 -6.332 3.204 1.765 1.00 10.00 C ATOM 826 O ALA A 54 -5.542 4.121 1.989 1.00 10.00 O ATOM 827 CB ALA A 54 -4.773 1.551 2.874 1.00 10.00 C ATOM 0 H ALA A 54 -6.406 0.784 0.785 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.766 2.005 3.475 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.342 2.347 3.481 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.741 0.614 3.429 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.200 1.446 1.953 1.00 10.00 H new ATOM 833 N THR A 55 -7.298 3.300 0.846 1.00 10.00 N ATOM 834 CA THR A 55 -7.453 4.466 -0.002 1.00 10.00 C ATOM 835 C THR A 55 -7.799 5.656 0.891 1.00 10.00 C ATOM 836 O THR A 55 -7.118 6.679 0.866 1.00 10.00 O ATOM 837 CB THR A 55 -8.507 4.187 -1.088 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.133 3.059 -1.858 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.608 5.370 -2.050 1.00 10.00 C ATOM 0 H THR A 55 -7.988 2.569 0.676 1.00 10.00 H new ATOM 0 HA THR A 55 -6.531 4.702 -0.533 1.00 10.00 H new ATOM 0 HB THR A 55 -9.458 4.016 -0.584 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.530 2.491 -1.334 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.358 5.156 -2.812 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.896 6.264 -1.498 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.642 5.534 -2.528 1.00 10.00 H new ATOM 847 N ALA A 56 -8.828 5.493 1.727 1.00 10.00 N ATOM 848 CA ALA A 56 -9.258 6.529 2.653 1.00 10.00 C ATOM 849 C ALA A 56 -8.093 6.996 3.524 1.00 10.00 C ATOM 850 O ALA A 56 -7.839 8.190 3.619 1.00 10.00 O ATOM 851 CB ALA A 56 -10.419 6.012 3.508 1.00 10.00 C ATOM 0 H ALA A 56 -9.382 4.638 1.776 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.606 7.391 2.083 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.737 6.792 4.200 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.253 5.738 2.862 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.094 5.137 4.072 1.00 10.00 H new ATOM 857 N ASN A 57 -7.378 6.063 4.155 1.00 10.00 N ATOM 858 CA ASN A 57 -6.256 6.390 5.028 1.00 10.00 C ATOM 859 C ASN A 57 -5.165 7.133 4.256 1.00 10.00 C ATOM 860 O ASN A 57 -4.714 8.192 4.693 1.00 10.00 O ATOM 861 CB ASN A 57 -5.705 5.124 5.693 1.00 10.00 C ATOM 862 CG ASN A 57 -6.684 4.559 6.720 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.837 4.287 6.402 1.00 10.00 O ATOM 864 ND2 ASN A 57 -6.248 4.394 7.967 1.00 10.00 N ATOM 0 H ASN A 57 -7.562 5.063 4.074 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.613 7.054 5.815 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.501 4.371 4.931 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.756 5.351 6.180 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -6.878 4.034 8.684 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -5.284 4.628 8.205 1.00 10.00 H new ATOM 871 N PHE A 58 -4.745 6.581 3.113 1.00 10.00 N ATOM 872 CA PHE A 58 -3.746 7.192 2.242 1.00 10.00 C ATOM 873 C PHE A 58 -4.099 8.649 1.926 1.00 10.00 C ATOM 874 O PHE A 58 -3.248 9.532 2.055 1.00 10.00 O ATOM 875 CB PHE A 58 -3.619 6.372 0.954 1.00 10.00 C ATOM 876 CG PHE A 58 -2.643 6.949 -0.051 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.274 6.646 0.044 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.101 7.801 -1.074 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.365 7.179 -0.887 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.192 8.352 -1.991 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.825 8.035 -1.903 1.00 10.00 C ATOM 0 H PHE A 58 -5.095 5.688 2.766 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.787 7.195 2.761 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.305 5.360 1.209 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.601 6.293 0.487 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.919 6.002 0.835 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.153 8.031 -1.153 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.684 6.931 -0.822 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.543 9.019 -2.764 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.128 8.449 -2.616 1.00 10.00 H new ATOM 891 N GLU A 59 -5.350 8.879 1.514 1.00 10.00 N ATOM 892 CA GLU A 59 -5.858 10.201 1.185 1.00 10.00 C ATOM 893 C GLU A 59 -5.963 11.090 2.425 1.00 10.00 C ATOM 894 O GLU A 59 -5.672 12.282 2.360 1.00 10.00 O ATOM 895 CB GLU A 59 -7.214 10.069 0.486 1.00 10.00 C ATOM 896 CG GLU A 59 -7.088 9.412 -0.895 1.00 10.00 C ATOM 897 CD GLU A 59 -6.462 10.355 -1.918 1.00 10.00 C ATOM 898 OE1 GLU A 59 -5.216 10.356 -2.013 1.00 10.00 O ATOM 899 OE2 GLU A 59 -7.251 11.069 -2.573 1.00 10.00 O ATOM 0 H GLU A 59 -6.042 8.138 1.400 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.153 10.684 0.508 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.887 9.479 1.108 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.664 11.056 0.378 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.482 8.510 -0.814 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.074 9.103 -1.242 1.00 10.00 H new ATOM 906 N ALA A 60 -6.401 10.526 3.554 1.00 10.00 N ATOM 907 CA ALA A 60 -6.538 11.254 4.805 1.00 10.00 C ATOM 908 C ALA A 60 -5.194 11.871 5.180 1.00 10.00 C ATOM 909 O ALA A 60 -5.097 13.082 5.372 1.00 10.00 O ATOM 910 CB ALA A 60 -7.067 10.336 5.912 1.00 10.00 C ATOM 0 H ALA A 60 -6.671 9.544 3.619 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.265 12.057 4.681 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.162 10.901 6.839 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.043 9.944 5.625 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.373 9.509 6.061 1.00 10.00 H new ATOM 916 N VAL A 61 -4.137 11.057 5.226 1.00 10.00 N ATOM 917 CA VAL A 61 -2.783 11.570 5.409 1.00 10.00 C ATOM 918 C VAL A 61 -2.235 12.004 4.045 1.00 10.00 C ATOM 919 O VAL A 61 -1.246 11.464 3.557 1.00 10.00 O ATOM 920 CB VAL A 61 -1.914 10.572 6.198 1.00 10.00 C ATOM 921 CG1 VAL A 61 -2.596 10.243 7.534 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.601 9.280 5.436 1.00 10.00 C ATOM 0 H VAL A 61 -4.195 10.042 5.139 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.775 12.462 6.036 1.00 10.00 H new ATOM 0 HB VAL A 61 -0.954 11.061 6.364 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -1.981 9.537 8.092 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -2.717 11.157 8.115 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -3.574 9.801 7.344 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.986 8.630 6.059 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.532 8.770 5.188 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -1.063 9.520 4.519 1.00 10.00 H new ATOM 932 N GLY A 62 -2.927 12.980 3.445 1.00 10.00 N ATOM 933 CA GLY A 62 -2.728 13.517 2.103 1.00 10.00 C ATOM 934 C GLY A 62 -1.273 13.510 1.643 1.00 10.00 C ATOM 935 O GLY A 62 -0.509 14.419 1.963 1.00 10.00 O ATOM 0 H GLY A 62 -3.697 13.446 3.925 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.324 12.937 1.398 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -3.103 14.540 2.072 1.00 10.00 H new ATOM 939 N HIS A 63 -0.906 12.483 0.876 1.00 10.00 N ATOM 940 CA HIS A 63 0.444 12.300 0.377 1.00 10.00 C ATOM 941 C HIS A 63 0.807 13.396 -0.630 1.00 10.00 C ATOM 942 O HIS A 63 -0.045 13.869 -1.383 1.00 10.00 O ATOM 943 CB HIS A 63 0.552 10.902 -0.237 1.00 10.00 C ATOM 944 CG HIS A 63 0.643 9.816 0.807 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.357 9.360 1.642 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.792 9.157 1.142 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.196 8.431 2.446 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.507 8.271 2.183 1.00 10.00 N ATOM 0 H HIS A 63 -1.551 11.749 0.584 1.00 10.00 H new ATOM 0 HA HIS A 63 1.158 12.382 1.196 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.316 10.720 -0.871 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.431 10.858 -0.879 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.329 9.668 1.649 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.758 9.298 0.680 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.344 7.884 3.205 1.00 10.00 H new ATOM 956 N SER A 64 2.079 13.802 -0.636 1.00 10.00 N ATOM 957 CA SER A 64 2.594 14.835 -1.521 1.00 10.00 C ATOM 958 C SER A 64 2.639 14.356 -2.977 1.00 10.00 C ATOM 959 O SER A 64 2.274 13.226 -3.301 1.00 10.00 O ATOM 960 CB SER A 64 3.980 15.278 -1.031 1.00 10.00 C ATOM 961 OG SER A 64 4.404 16.435 -1.733 1.00 10.00 O ATOM 0 H SER A 64 2.787 13.412 -0.014 1.00 10.00 H new ATOM 0 HA SER A 64 1.920 15.691 -1.495 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.946 15.485 0.039 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.699 14.472 -1.177 1.00 10.00 H new ATOM 0 HG SER A 64 5.288 16.708 -1.410 1.00 10.00 H new ATOM 967 N THR A 65 3.119 15.226 -3.865 1.00 10.00 N ATOM 968 CA THR A 65 3.235 14.951 -5.286 1.00 10.00 C ATOM 969 C THR A 65 4.184 13.780 -5.494 1.00 10.00 C ATOM 970 O THR A 65 3.750 12.678 -5.811 1.00 10.00 O ATOM 971 CB THR A 65 3.739 16.213 -6.001 1.00 10.00 C ATOM 972 OG1 THR A 65 4.846 16.736 -5.288 1.00 10.00 O ATOM 973 CG2 THR A 65 2.645 17.282 -6.064 1.00 10.00 C ATOM 0 H THR A 65 3.443 16.158 -3.606 1.00 10.00 H new ATOM 0 HA THR A 65 2.265 14.682 -5.705 1.00 10.00 H new ATOM 0 HB THR A 65 4.026 15.944 -7.018 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.175 17.541 -5.739 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.028 18.165 -6.575 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.786 16.891 -6.609 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.341 17.552 -5.053 1.00 10.00 H new ATOM 981 N ASP A 66 5.477 14.018 -5.279 1.00 10.00 N ATOM 982 CA ASP A 66 6.516 13.002 -5.389 1.00 10.00 C ATOM 983 C ASP A 66 6.050 11.696 -4.769 1.00 10.00 C ATOM 984 O ASP A 66 6.106 10.650 -5.390 1.00 10.00 O ATOM 985 CB ASP A 66 7.758 13.482 -4.644 1.00 10.00 C ATOM 986 CG ASP A 66 8.937 12.572 -4.951 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.091 11.583 -4.205 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.645 12.878 -5.933 1.00 10.00 O ATOM 0 H ASP A 66 5.835 14.937 -5.020 1.00 10.00 H new ATOM 0 HA ASP A 66 6.739 12.837 -6.443 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.993 14.506 -4.936 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.566 13.492 -3.571 1.00 10.00 H new ATOM 993 N ALA A 67 5.502 11.795 -3.565 1.00 10.00 N ATOM 994 CA ALA A 67 4.984 10.667 -2.805 1.00 10.00 C ATOM 995 C ALA A 67 3.874 9.907 -3.543 1.00 10.00 C ATOM 996 O ALA A 67 3.907 8.676 -3.602 1.00 10.00 O ATOM 997 CB ALA A 67 4.510 11.148 -1.438 1.00 10.00 C ATOM 0 H ALA A 67 5.403 12.686 -3.078 1.00 10.00 H new ATOM 0 HA ALA A 67 5.798 9.953 -2.677 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.122 10.303 -0.869 1.00 10.00 H new ATOM 0 HB2 ALA A 67 5.346 11.595 -0.900 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.723 11.891 -1.567 1.00 10.00 H new ATOM 1003 N ARG A 68 2.873 10.597 -4.104 1.00 10.00 N ATOM 1004 CA ARG A 68 1.810 9.898 -4.808 1.00 10.00 C ATOM 1005 C ARG A 68 2.348 9.335 -6.124 1.00 10.00 C ATOM 1006 O ARG A 68 1.887 8.295 -6.585 1.00 10.00 O ATOM 1007 CB ARG A 68 0.586 10.812 -4.995 1.00 10.00 C ATOM 1008 CG ARG A 68 0.663 11.539 -6.339 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.226 12.760 -6.493 1.00 10.00 C ATOM 1010 NE ARG A 68 0.014 13.258 -7.853 1.00 10.00 N ATOM 1011 CZ ARG A 68 -0.270 14.451 -8.371 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.012 15.330 -7.688 1.00 10.00 N ATOM 1013 NH2 ARG A 68 0.220 14.722 -9.581 1.00 10.00 N ATOM 0 H ARG A 68 2.783 11.613 -4.082 1.00 10.00 H new ATOM 0 HA ARG A 68 1.466 9.053 -4.212 1.00 10.00 H new ATOM 0 HB2 ARG A 68 -0.328 10.220 -4.946 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.539 11.538 -4.184 1.00 10.00 H new ATOM 0 HG2 ARG A 68 1.696 11.845 -6.504 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.410 10.830 -7.127 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.275 12.501 -6.351 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.019 13.519 -5.750 1.00 10.00 H new ATOM 0 HE ARG A 68 0.461 12.598 -8.490 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.365 15.089 -6.762 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -1.224 16.242 -8.093 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.786 14.028 -10.069 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.029 15.623 -10.019 1.00 10.00 H new ATOM 1027 N GLU A 69 3.309 10.018 -6.750 1.00 10.00 N ATOM 1028 CA GLU A 69 3.853 9.586 -8.021 1.00 10.00 C ATOM 1029 C GLU A 69 4.692 8.326 -7.782 1.00 10.00 C ATOM 1030 O GLU A 69 4.550 7.327 -8.483 1.00 10.00 O ATOM 1031 CB GLU A 69 4.620 10.754 -8.642 1.00 10.00 C ATOM 1032 CG GLU A 69 3.746 11.961 -9.054 1.00 10.00 C ATOM 1033 CD GLU A 69 2.538 11.667 -9.942 1.00 10.00 C ATOM 1034 OE1 GLU A 69 2.573 10.666 -10.689 1.00 10.00 O ATOM 1035 OE2 GLU A 69 1.581 12.477 -9.852 1.00 10.00 O ATOM 0 H GLU A 69 3.723 10.877 -6.387 1.00 10.00 H new ATOM 0 HA GLU A 69 3.081 9.311 -8.740 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.372 11.095 -7.931 1.00 10.00 H new ATOM 0 HB3 GLU A 69 5.153 10.393 -9.522 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.390 12.448 -8.146 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.381 12.679 -9.572 1.00 10.00 H new ATOM 1042 N LEU A 70 5.504 8.367 -6.727 1.00 10.00 N ATOM 1043 CA LEU A 70 6.347 7.310 -6.196 1.00 10.00 C ATOM 1044 C LEU A 70 5.576 5.993 -6.154 1.00 10.00 C ATOM 1045 O LEU A 70 6.027 5.007 -6.733 1.00 10.00 O ATOM 1046 CB LEU A 70 6.950 7.802 -4.863 1.00 10.00 C ATOM 1047 CG LEU A 70 7.817 6.899 -3.989 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.493 5.840 -4.819 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.851 7.724 -3.215 1.00 10.00 C ATOM 0 H LEU A 70 5.593 9.221 -6.176 1.00 10.00 H new ATOM 0 HA LEU A 70 7.198 7.085 -6.839 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.547 8.684 -5.094 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.117 8.134 -4.244 1.00 10.00 H new ATOM 0 HG LEU A 70 7.169 6.402 -3.267 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.105 5.209 -4.175 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.738 5.229 -5.314 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.126 6.314 -5.569 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.458 7.061 -2.599 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.493 8.255 -3.918 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.338 8.444 -2.577 1.00 10.00 H new ATOM 1061 N SER A 71 4.386 5.991 -5.544 1.00 10.00 N ATOM 1062 CA SER A 71 3.459 4.853 -5.575 1.00 10.00 C ATOM 1063 C SER A 71 3.519 4.094 -6.905 1.00 10.00 C ATOM 1064 O SER A 71 3.657 2.878 -6.914 1.00 10.00 O ATOM 1065 CB SER A 71 2.006 5.263 -5.270 1.00 10.00 C ATOM 1066 OG SER A 71 1.260 5.672 -6.405 1.00 10.00 O ATOM 0 H SER A 71 4.035 6.786 -5.010 1.00 10.00 H new ATOM 0 HA SER A 71 3.793 4.185 -4.781 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.496 4.423 -4.799 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.016 6.077 -4.545 1.00 10.00 H new ATOM 0 HG SER A 71 1.386 6.633 -6.550 1.00 10.00 H new ATOM 1072 N LYS A 72 3.441 4.798 -8.038 1.00 10.00 N ATOM 1073 CA LYS A 72 3.330 4.193 -9.356 1.00 10.00 C ATOM 1074 C LYS A 72 4.556 3.316 -9.657 1.00 10.00 C ATOM 1075 O LYS A 72 4.423 2.262 -10.272 1.00 10.00 O ATOM 1076 CB LYS A 72 3.121 5.283 -10.421 1.00 10.00 C ATOM 1077 CG LYS A 72 1.909 6.183 -10.098 1.00 10.00 C ATOM 1078 CD LYS A 72 1.763 7.413 -11.011 1.00 10.00 C ATOM 1079 CE LYS A 72 1.022 7.151 -12.330 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.768 6.258 -13.235 1.00 10.00 N ATOM 0 H LYS A 72 3.454 5.818 -8.059 1.00 10.00 H new ATOM 0 HA LYS A 72 2.458 3.539 -9.377 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.019 5.897 -10.493 1.00 10.00 H new ATOM 0 HB3 LYS A 72 2.976 4.815 -11.395 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.000 5.585 -10.168 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.989 6.521 -9.065 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.236 8.194 -10.463 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.757 7.799 -11.239 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.048 6.711 -12.114 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.838 8.100 -12.833 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 1.477 6.437 -14.217 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 2.788 6.438 -13.138 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 1.566 5.268 -12.990 1.00 10.00 H new ATOM 1094 N THR A 73 5.741 3.703 -9.180 1.00 10.00 N ATOM 1095 CA THR A 73 6.954 2.896 -9.273 1.00 10.00 C ATOM 1096 C THR A 73 6.795 1.562 -8.533 1.00 10.00 C ATOM 1097 O THR A 73 7.428 0.572 -8.887 1.00 10.00 O ATOM 1098 CB THR A 73 8.139 3.719 -8.736 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.195 4.951 -9.427 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.487 3.004 -8.860 1.00 10.00 C ATOM 0 H THR A 73 5.884 4.598 -8.712 1.00 10.00 H new ATOM 0 HA THR A 73 7.146 2.642 -10.316 1.00 10.00 H new ATOM 0 HB THR A 73 7.965 3.870 -7.671 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.946 5.482 -9.089 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.276 3.643 -8.462 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.457 2.071 -8.297 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.689 2.788 -9.909 1.00 10.00 H new ATOM 1108 N PHE A 74 5.937 1.547 -7.513 1.00 10.00 N ATOM 1109 CA PHE A 74 5.601 0.392 -6.695 1.00 10.00 C ATOM 1110 C PHE A 74 4.302 -0.262 -7.166 1.00 10.00 C ATOM 1111 O PHE A 74 3.811 -1.176 -6.502 1.00 10.00 O ATOM 1112 CB PHE A 74 5.453 0.825 -5.228 1.00 10.00 C ATOM 1113 CG PHE A 74 6.755 1.147 -4.532 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.553 2.231 -4.939 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.200 0.308 -3.500 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.802 2.447 -4.335 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.428 0.545 -2.875 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.214 1.635 -3.266 1.00 10.00 C ATOM 0 H PHE A 74 5.434 2.386 -7.224 1.00 10.00 H new ATOM 0 HA PHE A 74 6.406 -0.337 -6.790 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.807 1.702 -5.185 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.949 0.031 -4.678 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.206 2.897 -5.715 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.590 -0.526 -3.186 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.446 3.237 -4.692 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.770 -0.113 -2.090 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.136 1.851 -2.746 1.00 10.00 H new ATOM 1128 N ILE A 75 3.707 0.199 -8.273 1.00 10.00 N ATOM 1129 CA ILE A 75 2.499 -0.441 -8.764 1.00 10.00 C ATOM 1130 C ILE A 75 2.849 -1.875 -9.157 1.00 10.00 C ATOM 1131 O ILE A 75 3.782 -2.099 -9.926 1.00 10.00 O ATOM 1132 CB ILE A 75 1.853 0.374 -9.899 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.334 0.341 -9.712 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.269 -0.089 -11.301 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.406 1.108 -10.799 1.00 10.00 C ATOM 0 H ILE A 75 4.036 0.990 -8.826 1.00 10.00 H new ATOM 0 HA ILE A 75 1.738 -0.478 -7.985 1.00 10.00 H new ATOM 0 HB ILE A 75 2.216 1.400 -9.833 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.006 -0.695 -9.708 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.082 0.763 -8.739 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.775 0.530 -12.050 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.350 0.003 -11.409 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.978 -1.130 -11.442 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.479 1.052 -10.618 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.090 2.151 -10.788 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.179 0.671 -11.771 1.00 10.00 H new ATOM 1147 N ILE A 76 2.108 -2.849 -8.633 1.00 10.00 N ATOM 1148 CA ILE A 76 2.207 -4.223 -9.099 1.00 10.00 C ATOM 1149 C ILE A 76 1.049 -4.529 -10.049 1.00 10.00 C ATOM 1150 O ILE A 76 1.117 -5.497 -10.806 1.00 10.00 O ATOM 1151 CB ILE A 76 2.295 -5.180 -7.905 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.173 -4.906 -6.896 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.674 -5.033 -7.240 1.00 10.00 C ATOM 1154 CD1 ILE A 76 0.960 -6.112 -5.991 1.00 10.00 C ATOM 0 H ILE A 76 1.431 -2.707 -7.883 1.00 10.00 H new ATOM 0 HA ILE A 76 3.124 -4.367 -9.670 1.00 10.00 H new ATOM 0 HB ILE A 76 2.172 -6.203 -8.260 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.423 -4.032 -6.294 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.249 -4.674 -7.426 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.742 -5.712 -6.390 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.454 -5.276 -7.962 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.805 -4.007 -6.897 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.160 -5.898 -5.282 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.687 -6.977 -6.596 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.880 -6.325 -5.447 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.010 -3.711 -10.021 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.136 -3.804 -10.926 1.00 10.00 C ATOM 1168 C GLY A 77 -2.379 -3.266 -10.241 1.00 10.00 C ATOM 1169 O GLY A 77 -2.294 -2.331 -9.442 1.00 10.00 O ATOM 0 H GLY A 77 -0.099 -2.951 -9.347 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.934 -3.237 -11.835 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.292 -4.841 -11.225 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.527 -3.858 -10.564 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.828 -3.354 -10.171 1.00 10.00 C ATOM 1175 C GLU A 78 -5.687 -4.432 -9.515 1.00 10.00 C ATOM 1176 O GLU A 78 -5.387 -5.625 -9.525 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.545 -2.730 -11.383 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.432 -1.198 -11.410 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.486 -0.498 -12.260 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -7.538 -1.117 -12.546 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.242 0.696 -12.544 1.00 10.00 O ATOM 0 H GLU A 78 -3.573 -4.715 -11.115 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.672 -2.579 -9.421 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.122 -3.138 -12.301 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.597 -3.013 -11.364 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.501 -0.824 -10.389 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.444 -0.926 -11.783 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.782 -3.963 -8.936 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.803 -4.787 -8.337 1.00 10.00 C ATOM 1190 C LEU A 79 -8.453 -5.663 -9.411 1.00 10.00 C ATOM 1191 O LEU A 79 -8.800 -5.172 -10.485 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.821 -3.840 -7.706 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.944 -4.606 -7.013 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.430 -5.348 -5.772 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.043 -3.613 -6.655 1.00 10.00 C ATOM 0 H LEU A 79 -6.984 -2.965 -8.872 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.390 -5.454 -7.580 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.320 -3.195 -6.984 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.242 -3.192 -8.475 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.342 -5.368 -7.683 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.254 -5.884 -5.301 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.657 -6.058 -6.067 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.013 -4.630 -5.066 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.859 -4.137 -6.157 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.641 -2.851 -5.988 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.416 -3.140 -7.563 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.634 -6.948 -9.130 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.228 -7.901 -10.060 1.00 10.00 C ATOM 1209 C HIS A 80 -10.614 -7.450 -10.541 1.00 10.00 C ATOM 1210 O HIS A 80 -11.419 -6.985 -9.735 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.274 -9.287 -9.408 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.268 -10.426 -10.389 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.362 -11.133 -10.822 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.168 -10.933 -11.029 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -9.935 -12.031 -11.720 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.605 -11.945 -11.889 1.00 10.00 N ATOM 0 H HIS A 80 -8.368 -7.363 -8.237 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.603 -7.952 -10.952 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.419 -9.392 -8.741 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.170 -9.357 -8.791 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.147 -10.609 -10.894 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -10.574 -12.730 -12.238 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.030 -12.505 -12.518 1.00 10.00 H new ATOM 1224 N PRO A 81 -10.934 -7.621 -11.836 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.246 -7.292 -12.380 1.00 10.00 C ATOM 1226 C PRO A 81 -13.389 -8.129 -11.782 1.00 10.00 C ATOM 1227 O PRO A 81 -14.546 -7.844 -12.068 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.127 -7.485 -13.894 1.00 10.00 C ATOM 1229 CG PRO A 81 -10.998 -8.502 -14.033 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.064 -8.117 -12.893 1.00 10.00 C ATOM 0 HA PRO A 81 -12.514 -6.268 -12.121 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.057 -7.855 -14.326 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -11.890 -6.550 -14.401 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.359 -9.525 -13.933 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.505 -8.431 -15.003 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.482 -8.974 -12.554 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.353 -7.354 -13.208 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.077 -9.150 -10.976 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.062 -9.944 -10.246 1.00 10.00 C ATOM 1240 C ASP A 82 -14.528 -9.218 -8.977 1.00 10.00 C ATOM 1241 O ASP A 82 -15.659 -9.401 -8.537 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.445 -11.302 -9.894 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.458 -12.245 -9.263 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.342 -12.706 -10.015 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.281 -12.534 -8.061 1.00 10.00 O ATOM 0 H ASP A 82 -12.116 -9.450 -10.812 1.00 10.00 H new ATOM 0 HA ASP A 82 -14.938 -10.092 -10.877 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.038 -11.759 -10.796 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.612 -11.154 -9.207 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.644 -8.407 -8.379 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.935 -7.694 -7.140 1.00 10.00 C ATOM 1252 C ASP A 83 -14.896 -6.534 -7.430 1.00 10.00 C ATOM 1253 O ASP A 83 -15.992 -6.462 -6.876 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.606 -7.217 -6.536 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.753 -6.408 -5.253 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.667 -5.565 -5.162 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.885 -6.614 -4.385 1.00 10.00 O ATOM 0 H ASP A 83 -12.709 -8.231 -8.746 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.427 -8.343 -6.416 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.980 -8.086 -6.334 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.081 -6.611 -7.275 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.429 -5.627 -8.291 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.049 -4.334 -8.547 1.00 10.00 C ATOM 1264 C ARG A 84 -16.434 -4.442 -9.194 1.00 10.00 C ATOM 1265 O ARG A 84 -17.231 -3.502 -8.974 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.105 -3.485 -9.412 1.00 10.00 C ATOM 1267 CG ARG A 84 -13.909 -4.092 -10.808 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.979 -3.247 -11.687 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.564 -3.355 -11.289 1.00 10.00 N ATOM 1270 CZ ARG A 84 -10.589 -2.556 -11.770 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -10.874 -1.548 -12.599 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.316 -2.755 -11.447 1.00 10.00 N ATOM 0 H ARG A 84 -13.585 -5.780 -8.843 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.211 -3.851 -7.583 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.508 -2.477 -9.508 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.139 -3.396 -8.916 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.498 -5.097 -10.710 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.878 -4.190 -11.298 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.085 -3.560 -12.726 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.288 -2.203 -11.636 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.308 -4.074 -10.612 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -11.840 -1.374 -12.877 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.126 -0.953 -12.954 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.062 -3.523 -10.825 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -8.593 -2.140 -11.821 1.00 10.00 H new