USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 53 THR OG1 : rot 168:sc= -0.891 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 THR OG1 : rot -21:sc= 0.239 USER MOD Set 2.2: A 41 ASN : amide:sc= -0.255 K(o=-0.016,f=-3.6!) USER MOD Set 3.1: A 10 SER OG : rot 70:sc= 0.97 USER MOD Set 3.2: A 15 ASN : amide:sc= -1.51! X(o=-0.54!,f=-0.49) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.126 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 163:sc= -0.0106 (180deg=-0.232) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.2 F(o=-2,f=-1.2) USER MOD Single : A 31 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.86) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 78:sc= 0.0187 USER MOD Single : A 49 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.66) USER MOD Single : A 55 CYS SG : rot -52:sc= -0.285 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.380 0.064 -22.315 1.00 0.00 N ATOM 2 CA GLY A 1 14.785 0.697 -21.074 1.00 0.00 C ATOM 3 C GLY A 1 14.655 -0.230 -19.881 1.00 0.00 C ATOM 4 O GLY A 1 15.087 -1.381 -19.931 1.00 0.00 O ATOM 0 H1 GLY A 1 14.487 0.738 -23.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.977 -0.769 -22.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.385 -0.231 -22.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.819 1.030 -21.160 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.176 1.586 -20.908 1.00 0.00 H new ATOM 8 N SER A 2 14.059 0.274 -18.805 1.00 0.00 N ATOM 9 CA SER A 2 13.879 -0.515 -17.592 1.00 0.00 C ATOM 10 C SER A 2 13.563 -1.969 -17.931 1.00 0.00 C ATOM 11 O SER A 2 14.236 -2.887 -17.463 1.00 0.00 O ATOM 12 CB SER A 2 12.756 0.076 -16.736 1.00 0.00 C ATOM 13 OG SER A 2 11.547 0.160 -17.470 1.00 0.00 O ATOM 0 H SER A 2 13.693 1.224 -18.749 1.00 0.00 H new ATOM 0 HA SER A 2 14.811 -0.486 -17.028 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.606 -0.542 -15.851 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.043 1.068 -16.388 1.00 0.00 H new ATOM 0 HG SER A 2 10.845 0.539 -16.901 1.00 0.00 H new ATOM 19 N SER A 3 12.535 -2.169 -18.749 1.00 0.00 N ATOM 20 CA SER A 3 12.127 -3.511 -19.149 1.00 0.00 C ATOM 21 C SER A 3 13.230 -4.199 -19.947 1.00 0.00 C ATOM 22 O SER A 3 14.147 -3.550 -20.447 1.00 0.00 O ATOM 23 CB SER A 3 10.843 -3.450 -19.979 1.00 0.00 C ATOM 24 OG SER A 3 11.038 -2.701 -21.166 1.00 0.00 O ATOM 0 H SER A 3 11.969 -1.420 -19.148 1.00 0.00 H new ATOM 0 HA SER A 3 11.940 -4.092 -18.246 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.521 -4.460 -20.232 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.045 -3.000 -19.388 1.00 0.00 H new ATOM 0 HG SER A 3 10.204 -2.678 -21.679 1.00 0.00 H new ATOM 30 N GLY A 4 13.133 -5.520 -20.062 1.00 0.00 N ATOM 31 CA GLY A 4 14.128 -6.276 -20.799 1.00 0.00 C ATOM 32 C GLY A 4 14.687 -7.436 -19.999 1.00 0.00 C ATOM 33 O GLY A 4 13.935 -8.205 -19.400 1.00 0.00 O ATOM 0 H GLY A 4 12.383 -6.080 -19.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.683 -6.655 -21.719 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.943 -5.612 -21.088 1.00 0.00 H new ATOM 37 N SER A 5 16.010 -7.563 -19.989 1.00 0.00 N ATOM 38 CA SER A 5 16.668 -8.641 -19.260 1.00 0.00 C ATOM 39 C SER A 5 16.834 -8.279 -17.788 1.00 0.00 C ATOM 40 O SER A 5 17.050 -7.118 -17.443 1.00 0.00 O ATOM 41 CB SER A 5 18.034 -8.944 -19.880 1.00 0.00 C ATOM 42 OG SER A 5 17.906 -9.311 -21.243 1.00 0.00 O ATOM 0 H SER A 5 16.647 -6.933 -20.477 1.00 0.00 H new ATOM 0 HA SER A 5 16.040 -9.529 -19.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.678 -8.068 -19.795 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.517 -9.750 -19.327 1.00 0.00 H new ATOM 0 HG SER A 5 18.793 -9.498 -21.616 1.00 0.00 H new ATOM 48 N SER A 6 16.731 -9.283 -16.923 1.00 0.00 N ATOM 49 CA SER A 6 16.865 -9.072 -15.486 1.00 0.00 C ATOM 50 C SER A 6 17.271 -10.363 -14.782 1.00 0.00 C ATOM 51 O SER A 6 16.935 -11.459 -15.230 1.00 0.00 O ATOM 52 CB SER A 6 15.552 -8.550 -14.901 1.00 0.00 C ATOM 53 OG SER A 6 15.726 -8.115 -13.563 1.00 0.00 O ATOM 0 H SER A 6 16.555 -10.251 -17.192 1.00 0.00 H new ATOM 0 HA SER A 6 17.647 -8.330 -15.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.182 -7.725 -15.510 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.797 -9.336 -14.936 1.00 0.00 H new ATOM 0 HG SER A 6 14.872 -7.784 -13.213 1.00 0.00 H new ATOM 59 N GLY A 7 17.996 -10.225 -13.677 1.00 0.00 N ATOM 60 CA GLY A 7 18.437 -11.387 -12.928 1.00 0.00 C ATOM 61 C GLY A 7 19.504 -12.178 -13.659 1.00 0.00 C ATOM 62 O GLY A 7 19.331 -13.366 -13.927 1.00 0.00 O ATOM 0 H GLY A 7 18.286 -9.328 -13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.825 -11.066 -11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.582 -12.033 -12.730 1.00 0.00 H new ATOM 66 N MET A 8 20.610 -11.516 -13.984 1.00 0.00 N ATOM 67 CA MET A 8 21.709 -12.165 -14.690 1.00 0.00 C ATOM 68 C MET A 8 22.864 -12.464 -13.739 1.00 0.00 C ATOM 69 O MET A 8 23.515 -13.502 -13.846 1.00 0.00 O ATOM 70 CB MET A 8 22.196 -11.283 -15.841 1.00 0.00 C ATOM 71 CG MET A 8 22.970 -12.044 -16.904 1.00 0.00 C ATOM 72 SD MET A 8 21.893 -12.847 -18.107 1.00 0.00 S ATOM 73 CE MET A 8 21.347 -11.437 -19.067 1.00 0.00 C ATOM 0 H MET A 8 20.769 -10.531 -13.770 1.00 0.00 H new ATOM 0 HA MET A 8 21.341 -13.108 -15.095 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.337 -10.799 -16.306 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.829 -10.492 -15.439 1.00 0.00 H new ATOM 0 HG2 MET A 8 23.639 -11.357 -17.423 1.00 0.00 H new ATOM 0 HG3 MET A 8 23.596 -12.796 -16.424 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.930 -11.781 -20.014 1.00 0.00 H new ATOM 0 HE2 MET A 8 20.584 -10.892 -18.511 1.00 0.00 H new ATOM 0 HE3 MET A 8 22.194 -10.779 -19.261 1.00 0.00 H new ATOM 83 N ALA A 9 23.112 -11.547 -12.810 1.00 0.00 N ATOM 84 CA ALA A 9 24.187 -11.714 -11.840 1.00 0.00 C ATOM 85 C ALA A 9 24.185 -13.122 -11.256 1.00 0.00 C ATOM 86 O ALA A 9 25.219 -13.790 -11.218 1.00 0.00 O ATOM 87 CB ALA A 9 24.062 -10.680 -10.730 1.00 0.00 C ATOM 0 H ALA A 9 22.583 -10.681 -12.709 1.00 0.00 H new ATOM 0 HA ALA A 9 25.135 -11.564 -12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 9 24.871 -10.817 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 9 24.121 -9.679 -11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 9 23.104 -10.803 -10.224 1.00 0.00 H new ATOM 93 N SER A 10 23.019 -13.568 -10.800 1.00 0.00 N ATOM 94 CA SER A 10 22.884 -14.896 -10.213 1.00 0.00 C ATOM 95 C SER A 10 23.382 -15.969 -11.177 1.00 0.00 C ATOM 96 O SER A 10 23.005 -15.990 -12.348 1.00 0.00 O ATOM 97 CB SER A 10 21.425 -15.166 -9.839 1.00 0.00 C ATOM 98 OG SER A 10 21.325 -16.240 -8.921 1.00 0.00 O ATOM 0 H SER A 10 22.154 -13.029 -10.826 1.00 0.00 H new ATOM 0 HA SER A 10 23.495 -14.932 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 10 20.986 -14.269 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 10 20.853 -15.397 -10.737 1.00 0.00 H new ATOM 0 HG SER A 10 21.682 -15.962 -8.052 1.00 0.00 H new ATOM 104 N GLY A 11 24.231 -16.859 -10.674 1.00 0.00 N ATOM 105 CA GLY A 11 24.768 -17.923 -11.503 1.00 0.00 C ATOM 106 C GLY A 11 23.803 -19.082 -11.654 1.00 0.00 C ATOM 107 O GLY A 11 22.588 -18.887 -11.674 1.00 0.00 O ATOM 0 H GLY A 11 24.557 -16.863 -9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 11 25.010 -17.525 -12.488 1.00 0.00 H new ATOM 0 HA3 GLY A 11 25.700 -18.284 -11.067 1.00 0.00 H new ATOM 111 N GLN A 12 24.344 -20.291 -11.763 1.00 0.00 N ATOM 112 CA GLN A 12 23.522 -21.485 -11.916 1.00 0.00 C ATOM 113 C GLN A 12 23.340 -22.196 -10.579 1.00 0.00 C ATOM 114 O GLN A 12 22.412 -22.986 -10.406 1.00 0.00 O ATOM 115 CB GLN A 12 24.154 -22.438 -12.932 1.00 0.00 C ATOM 116 CG GLN A 12 25.419 -23.114 -12.427 1.00 0.00 C ATOM 117 CD GLN A 12 26.221 -23.758 -13.541 1.00 0.00 C ATOM 118 OE1 GLN A 12 27.021 -23.100 -14.205 1.00 0.00 O ATOM 119 NE2 GLN A 12 26.009 -25.052 -13.751 1.00 0.00 N ATOM 0 H GLN A 12 25.348 -20.469 -11.748 1.00 0.00 H new ATOM 0 HA GLN A 12 22.542 -21.176 -12.279 1.00 0.00 H new ATOM 0 HB2 GLN A 12 23.426 -23.203 -13.202 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.386 -21.884 -13.842 1.00 0.00 H new ATOM 0 HG2 GLN A 12 26.040 -22.379 -11.916 1.00 0.00 H new ATOM 0 HG3 GLN A 12 25.152 -23.873 -11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 12 25.336 -25.558 -13.176 1.00 0.00 H new ATOM 0 HE22 GLN A 12 26.519 -25.539 -14.487 1.00 0.00 H new ATOM 128 N PHE A 13 24.232 -21.910 -9.636 1.00 0.00 N ATOM 129 CA PHE A 13 24.171 -22.523 -8.315 1.00 0.00 C ATOM 130 C PHE A 13 23.218 -21.756 -7.403 1.00 0.00 C ATOM 131 O PHE A 13 23.306 -20.534 -7.282 1.00 0.00 O ATOM 132 CB PHE A 13 25.565 -22.574 -7.687 1.00 0.00 C ATOM 133 CG PHE A 13 26.331 -23.820 -8.028 1.00 0.00 C ATOM 134 CD1 PHE A 13 26.697 -24.088 -9.338 1.00 0.00 C ATOM 135 CD2 PHE A 13 26.685 -24.725 -7.040 1.00 0.00 C ATOM 136 CE1 PHE A 13 27.402 -25.234 -9.655 1.00 0.00 C ATOM 137 CE2 PHE A 13 27.390 -25.872 -7.351 1.00 0.00 C ATOM 138 CZ PHE A 13 27.748 -26.128 -8.660 1.00 0.00 C ATOM 0 H PHE A 13 25.006 -21.257 -9.763 1.00 0.00 H new ATOM 0 HA PHE A 13 23.796 -23.540 -8.431 1.00 0.00 H new ATOM 0 HB2 PHE A 13 26.135 -21.705 -8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 13 25.470 -22.501 -6.604 1.00 0.00 H new ATOM 0 HD1 PHE A 13 26.428 -23.393 -10.120 1.00 0.00 H new ATOM 0 HD2 PHE A 13 26.407 -24.531 -6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 13 27.682 -25.430 -10.679 1.00 0.00 H new ATOM 0 HE2 PHE A 13 27.661 -26.568 -6.571 1.00 0.00 H new ATOM 0 HZ PHE A 13 28.297 -27.025 -8.905 1.00 0.00 H new ATOM 148 N VAL A 14 22.307 -22.482 -6.762 1.00 0.00 N ATOM 149 CA VAL A 14 21.338 -21.871 -5.861 1.00 0.00 C ATOM 150 C VAL A 14 22.030 -20.993 -4.824 1.00 0.00 C ATOM 151 O VAL A 14 23.011 -21.403 -4.204 1.00 0.00 O ATOM 152 CB VAL A 14 20.496 -22.937 -5.136 1.00 0.00 C ATOM 153 CG1 VAL A 14 19.671 -23.735 -6.134 1.00 0.00 C ATOM 154 CG2 VAL A 14 21.390 -23.855 -4.316 1.00 0.00 C ATOM 0 H VAL A 14 22.220 -23.494 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 14 20.680 -21.255 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 14 19.810 -22.432 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.082 -24.484 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.003 -23.063 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 14 20.336 -24.231 -6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.778 -24.602 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 14 22.101 -24.354 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 14 21.932 -23.268 -3.575 1.00 0.00 H new ATOM 164 N ASN A 15 21.511 -19.784 -4.639 1.00 0.00 N ATOM 165 CA ASN A 15 22.079 -18.847 -3.676 1.00 0.00 C ATOM 166 C ASN A 15 21.016 -18.368 -2.692 1.00 0.00 C ATOM 167 O ASN A 15 19.821 -18.583 -2.897 1.00 0.00 O ATOM 168 CB ASN A 15 22.696 -17.649 -4.401 1.00 0.00 C ATOM 169 CG ASN A 15 21.702 -16.946 -5.305 1.00 0.00 C ATOM 170 OD1 ASN A 15 21.848 -16.949 -6.528 1.00 0.00 O ATOM 171 ND2 ASN A 15 20.684 -16.340 -4.707 1.00 0.00 N ATOM 0 H ASN A 15 20.698 -19.430 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 15 22.858 -19.366 -3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 15 23.079 -16.941 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.547 -17.985 -4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.983 -15.851 -5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.603 -16.363 -3.691 1.00 0.00 H new ATOM 178 N LYS A 16 21.459 -17.717 -1.622 1.00 0.00 N ATOM 179 CA LYS A 16 20.548 -17.205 -0.605 1.00 0.00 C ATOM 180 C LYS A 16 19.589 -16.179 -1.201 1.00 0.00 C ATOM 181 O LYS A 16 20.014 -15.154 -1.736 1.00 0.00 O ATOM 182 CB LYS A 16 21.337 -16.573 0.544 1.00 0.00 C ATOM 183 CG LYS A 16 22.284 -15.473 0.100 1.00 0.00 C ATOM 184 CD LYS A 16 23.119 -14.954 1.259 1.00 0.00 C ATOM 185 CE LYS A 16 22.352 -13.930 2.083 1.00 0.00 C ATOM 186 NZ LYS A 16 22.825 -13.889 3.494 1.00 0.00 N ATOM 0 H LYS A 16 22.445 -17.531 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 16 19.965 -18.042 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.637 -16.165 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.909 -17.350 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.942 -15.852 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.712 -14.653 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.416 -15.787 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.034 -14.503 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.465 -12.944 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.289 -14.170 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.278 -13.180 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.694 -14.823 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.833 -13.635 3.515 1.00 0.00 H new ATOM 200 N LEU A 17 18.294 -16.461 -1.105 1.00 0.00 N ATOM 201 CA LEU A 17 17.274 -15.562 -1.633 1.00 0.00 C ATOM 202 C LEU A 17 16.698 -14.682 -0.528 1.00 0.00 C ATOM 203 O LEU A 17 16.692 -15.064 0.641 1.00 0.00 O ATOM 204 CB LEU A 17 16.155 -16.364 -2.299 1.00 0.00 C ATOM 205 CG LEU A 17 15.564 -17.506 -1.471 1.00 0.00 C ATOM 206 CD1 LEU A 17 14.100 -17.720 -1.825 1.00 0.00 C ATOM 207 CD2 LEU A 17 16.359 -18.785 -1.684 1.00 0.00 C ATOM 0 H LEU A 17 17.926 -17.305 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 17 17.742 -14.918 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.350 -15.678 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.538 -16.778 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 17 15.625 -17.235 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.696 -18.536 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.539 -16.808 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.014 -17.969 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.925 -19.587 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.330 -19.060 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.393 -18.625 -1.379 1.00 0.00 H new ATOM 219 N GLN A 18 16.214 -13.504 -0.908 1.00 0.00 N ATOM 220 CA GLN A 18 15.634 -12.572 0.051 1.00 0.00 C ATOM 221 C GLN A 18 14.185 -12.256 -0.304 1.00 0.00 C ATOM 222 O GLN A 18 13.846 -12.086 -1.475 1.00 0.00 O ATOM 223 CB GLN A 18 16.453 -11.280 0.098 1.00 0.00 C ATOM 224 CG GLN A 18 17.730 -11.399 0.913 1.00 0.00 C ATOM 225 CD GLN A 18 18.740 -12.338 0.283 1.00 0.00 C ATOM 226 OE1 GLN A 18 19.305 -13.228 1.090 1.00 0.00 O flip ATOM 227 NE2 GLN A 18 19.008 -12.265 -0.917 1.00 0.00 N flip ATOM 0 H GLN A 18 16.212 -13.173 -1.873 1.00 0.00 H new ATOM 0 HA GLN A 18 15.654 -13.043 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.708 -10.984 -0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.837 -10.484 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 18 18.178 -10.412 1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 18 17.486 -11.753 1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.549 -11.565 -1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.688 -12.904 -1.327 1.00 0.00 H new ATOM 236 N GLU A 19 13.334 -12.181 0.714 1.00 0.00 N ATOM 237 CA GLU A 19 11.921 -11.887 0.508 1.00 0.00 C ATOM 238 C GLU A 19 11.663 -10.384 0.568 1.00 0.00 C ATOM 239 O GLU A 19 12.217 -9.683 1.414 1.00 0.00 O ATOM 240 CB GLU A 19 11.069 -12.604 1.557 1.00 0.00 C ATOM 241 CG GLU A 19 9.650 -12.892 1.097 1.00 0.00 C ATOM 242 CD GLU A 19 8.728 -13.259 2.243 1.00 0.00 C ATOM 243 OE1 GLU A 19 8.806 -12.602 3.302 1.00 0.00 O ATOM 244 OE2 GLU A 19 7.927 -14.203 2.080 1.00 0.00 O ATOM 0 H GLU A 19 13.598 -12.320 1.689 1.00 0.00 H new ATOM 0 HA GLU A 19 11.643 -12.247 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.553 -13.543 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.032 -11.995 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.254 -12.016 0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.665 -13.707 0.373 1.00 0.00 H new ATOM 251 N GLU A 20 10.818 -9.897 -0.335 1.00 0.00 N ATOM 252 CA GLU A 20 10.488 -8.478 -0.385 1.00 0.00 C ATOM 253 C GLU A 20 9.024 -8.273 -0.763 1.00 0.00 C ATOM 254 O GLU A 20 8.505 -8.932 -1.665 1.00 0.00 O ATOM 255 CB GLU A 20 11.391 -7.757 -1.387 1.00 0.00 C ATOM 256 CG GLU A 20 12.869 -7.845 -1.048 1.00 0.00 C ATOM 257 CD GLU A 20 13.707 -6.851 -1.828 1.00 0.00 C ATOM 258 OE1 GLU A 20 13.727 -6.939 -3.073 1.00 0.00 O ATOM 259 OE2 GLU A 20 14.344 -5.984 -1.192 1.00 0.00 O ATOM 0 H GLU A 20 10.350 -10.464 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 20 10.651 -8.058 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.229 -8.179 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.100 -6.708 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.004 -7.670 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.225 -8.855 -1.253 1.00 0.00 H new ATOM 266 N VAL A 21 8.362 -7.354 -0.068 1.00 0.00 N ATOM 267 CA VAL A 21 6.958 -7.060 -0.330 1.00 0.00 C ATOM 268 C VAL A 21 6.802 -5.733 -1.063 1.00 0.00 C ATOM 269 O VAL A 21 7.564 -4.793 -0.835 1.00 0.00 O ATOM 270 CB VAL A 21 6.141 -7.012 0.975 1.00 0.00 C ATOM 271 CG1 VAL A 21 4.690 -6.660 0.685 1.00 0.00 C ATOM 272 CG2 VAL A 21 6.239 -8.339 1.713 1.00 0.00 C ATOM 0 H VAL A 21 8.776 -6.800 0.682 1.00 0.00 H new ATOM 0 HA VAL A 21 6.578 -7.866 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 21 6.557 -6.234 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.129 -6.631 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.642 -5.684 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.258 -7.413 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.656 -8.288 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.850 -9.137 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.282 -8.544 1.955 1.00 0.00 H new ATOM 282 N ILE A 22 5.809 -5.663 -1.944 1.00 0.00 N ATOM 283 CA ILE A 22 5.552 -4.450 -2.710 1.00 0.00 C ATOM 284 C ILE A 22 4.093 -4.024 -2.592 1.00 0.00 C ATOM 285 O ILE A 22 3.212 -4.848 -2.343 1.00 0.00 O ATOM 286 CB ILE A 22 5.901 -4.639 -4.198 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.357 -5.086 -4.350 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.654 -3.350 -4.968 1.00 0.00 C ATOM 289 CD1 ILE A 22 7.702 -5.554 -5.747 1.00 0.00 C ATOM 0 H ILE A 22 5.170 -6.432 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 22 6.190 -3.672 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 22 5.257 -5.415 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.013 -4.258 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.556 -5.893 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.905 -3.500 -6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.604 -3.071 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.276 -2.555 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.749 -5.855 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.071 -6.402 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.535 -4.742 -6.454 1.00 0.00 H new ATOM 301 N CYS A 23 3.843 -2.732 -2.773 1.00 0.00 N ATOM 302 CA CYS A 23 2.490 -2.195 -2.689 1.00 0.00 C ATOM 303 C CYS A 23 1.788 -2.272 -4.042 1.00 0.00 C ATOM 304 O CYS A 23 2.208 -1.657 -5.022 1.00 0.00 O ATOM 305 CB CYS A 23 2.523 -0.745 -2.201 1.00 0.00 C ATOM 306 SG CYS A 23 1.007 -0.213 -1.344 1.00 0.00 S ATOM 0 H CYS A 23 4.560 -2.037 -2.979 1.00 0.00 H new ATOM 0 HA CYS A 23 1.931 -2.799 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.371 -0.619 -1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.694 -0.090 -3.055 1.00 0.00 H new ATOM 311 N PRO A 24 0.694 -3.045 -4.097 1.00 0.00 N ATOM 312 CA PRO A 24 -0.090 -3.221 -5.324 1.00 0.00 C ATOM 313 C PRO A 24 -0.844 -1.955 -5.716 1.00 0.00 C ATOM 314 O PRO A 24 -1.539 -1.925 -6.732 1.00 0.00 O ATOM 315 CB PRO A 24 -1.072 -4.338 -4.960 1.00 0.00 C ATOM 316 CG PRO A 24 -1.203 -4.259 -3.479 1.00 0.00 C ATOM 317 CD PRO A 24 0.137 -3.807 -2.967 1.00 0.00 C ATOM 0 HA PRO A 24 0.541 -3.453 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.035 -4.194 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.697 -5.312 -5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.987 -3.557 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.474 -5.228 -3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.039 -3.189 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.771 -4.652 -2.701 1.00 0.00 H new ATOM 325 N ILE A 25 -0.703 -0.913 -4.904 1.00 0.00 N ATOM 326 CA ILE A 25 -1.371 0.356 -5.168 1.00 0.00 C ATOM 327 C ILE A 25 -0.429 1.341 -5.851 1.00 0.00 C ATOM 328 O ILE A 25 -0.620 1.695 -7.015 1.00 0.00 O ATOM 329 CB ILE A 25 -1.907 0.991 -3.871 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.786 -0.007 -3.115 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.686 2.260 -4.185 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.145 0.443 -1.716 1.00 0.00 C ATOM 0 H ILE A 25 -0.133 -0.922 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.209 0.139 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.061 1.255 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.703 -0.173 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.268 -0.965 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.058 2.697 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.032 2.974 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.526 2.019 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.769 -0.313 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.234 0.581 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.691 1.385 -1.766 1.00 0.00 H new ATOM 344 N CYS A 26 0.591 1.780 -5.121 1.00 0.00 N ATOM 345 CA CYS A 26 1.565 2.724 -5.655 1.00 0.00 C ATOM 346 C CYS A 26 2.640 1.998 -6.459 1.00 0.00 C ATOM 347 O CYS A 26 3.344 2.607 -7.267 1.00 0.00 O ATOM 348 CB CYS A 26 2.212 3.519 -4.520 1.00 0.00 C ATOM 349 SG CYS A 26 2.738 2.501 -3.104 1.00 0.00 S ATOM 0 H CYS A 26 0.764 1.496 -4.157 1.00 0.00 H new ATOM 0 HA CYS A 26 1.041 3.412 -6.318 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.078 4.052 -4.912 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.506 4.272 -4.170 1.00 0.00 H new ATOM 354 N LEU A 27 2.761 0.695 -6.233 1.00 0.00 N ATOM 355 CA LEU A 27 3.750 -0.115 -6.937 1.00 0.00 C ATOM 356 C LEU A 27 5.165 0.364 -6.628 1.00 0.00 C ATOM 357 O LEU A 27 5.982 0.544 -7.531 1.00 0.00 O ATOM 358 CB LEU A 27 3.501 -0.063 -8.445 1.00 0.00 C ATOM 359 CG LEU A 27 2.155 -0.612 -8.922 1.00 0.00 C ATOM 360 CD1 LEU A 27 1.922 -0.258 -10.383 1.00 0.00 C ATOM 361 CD2 LEU A 27 2.092 -2.119 -8.720 1.00 0.00 C ATOM 0 H LEU A 27 2.187 0.176 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 27 3.651 -1.145 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.584 0.974 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.295 -0.619 -8.944 1.00 0.00 H new ATOM 0 HG LEU A 27 1.365 -0.153 -8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.960 -0.657 -10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.923 0.826 -10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.716 -0.689 -10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.128 -2.492 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.890 -2.596 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.213 -2.350 -7.662 1.00 0.00 H new ATOM 373 N ASP A 28 5.449 0.565 -5.345 1.00 0.00 N ATOM 374 CA ASP A 28 6.767 1.019 -4.916 1.00 0.00 C ATOM 375 C ASP A 28 7.236 0.243 -3.689 1.00 0.00 C ATOM 376 O ASP A 28 6.439 -0.408 -3.012 1.00 0.00 O ATOM 377 CB ASP A 28 6.738 2.516 -4.607 1.00 0.00 C ATOM 378 CG ASP A 28 8.108 3.156 -4.717 1.00 0.00 C ATOM 379 OD1 ASP A 28 8.732 3.044 -5.793 1.00 0.00 O ATOM 380 OD2 ASP A 28 8.557 3.770 -3.726 1.00 0.00 O ATOM 0 H ASP A 28 4.784 0.421 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 28 7.470 0.837 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.052 3.013 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.348 2.669 -3.601 1.00 0.00 H new ATOM 385 N ILE A 29 8.533 0.315 -3.410 1.00 0.00 N ATOM 386 CA ILE A 29 9.107 -0.380 -2.265 1.00 0.00 C ATOM 387 C ILE A 29 8.411 0.025 -0.970 1.00 0.00 C ATOM 388 O ILE A 29 8.114 1.200 -0.753 1.00 0.00 O ATOM 389 CB ILE A 29 10.615 -0.099 -2.133 1.00 0.00 C ATOM 390 CG1 ILE A 29 11.366 -0.641 -3.352 1.00 0.00 C ATOM 391 CG2 ILE A 29 11.159 -0.713 -0.852 1.00 0.00 C ATOM 392 CD1 ILE A 29 11.504 0.365 -4.473 1.00 0.00 C ATOM 0 H ILE A 29 9.206 0.848 -3.961 1.00 0.00 H new ATOM 0 HA ILE A 29 8.958 -1.446 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 29 10.766 0.980 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 29 12.359 -0.966 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.845 -1.522 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.226 -0.505 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.642 -0.283 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.999 -1.791 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.046 -0.088 -5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.514 0.672 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.051 1.237 -4.114 1.00 0.00 H new ATOM 404 N LEU A 30 8.154 -0.956 -0.111 1.00 0.00 N ATOM 405 CA LEU A 30 7.495 -0.702 1.165 1.00 0.00 C ATOM 406 C LEU A 30 8.504 -0.270 2.224 1.00 0.00 C ATOM 407 O LEU A 30 9.223 -1.097 2.784 1.00 0.00 O ATOM 408 CB LEU A 30 6.750 -1.953 1.635 1.00 0.00 C ATOM 409 CG LEU A 30 5.271 -2.036 1.257 1.00 0.00 C ATOM 410 CD1 LEU A 30 5.092 -2.829 -0.028 1.00 0.00 C ATOM 411 CD2 LEU A 30 4.466 -2.659 2.387 1.00 0.00 C ATOM 0 H LEU A 30 8.392 -1.934 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 30 6.779 0.107 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.258 -2.828 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.831 -2.013 2.720 1.00 0.00 H new ATOM 0 HG LEU A 30 4.901 -1.024 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.033 -2.877 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.636 -2.340 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.478 -3.839 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.416 -2.710 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.837 -3.664 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.568 -2.050 3.285 1.00 0.00 H new ATOM 423 N GLN A 31 8.551 1.031 2.494 1.00 0.00 N ATOM 424 CA GLN A 31 9.471 1.572 3.486 1.00 0.00 C ATOM 425 C GLN A 31 9.151 1.034 4.877 1.00 0.00 C ATOM 426 O GLN A 31 10.026 0.949 5.739 1.00 0.00 O ATOM 427 CB GLN A 31 9.408 3.101 3.491 1.00 0.00 C ATOM 428 CG GLN A 31 9.686 3.725 2.134 1.00 0.00 C ATOM 429 CD GLN A 31 9.307 5.192 2.078 1.00 0.00 C ATOM 430 OE1 GLN A 31 8.128 5.544 2.131 1.00 0.00 O ATOM 431 NE2 GLN A 31 10.308 6.058 1.971 1.00 0.00 N ATOM 0 H GLN A 31 7.963 1.729 2.039 1.00 0.00 H new ATOM 0 HA GLN A 31 10.480 1.257 3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.421 3.415 3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.130 3.484 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.745 3.618 1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.133 3.181 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.270 5.723 1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.114 7.059 1.930 1.00 0.00 H new ATOM 440 N LYS A 32 7.890 0.670 5.089 1.00 0.00 N ATOM 441 CA LYS A 32 7.453 0.139 6.374 1.00 0.00 C ATOM 442 C LYS A 32 6.250 -0.783 6.201 1.00 0.00 C ATOM 443 O LYS A 32 5.115 -0.338 6.030 1.00 0.00 O ATOM 444 CB LYS A 32 7.099 1.282 7.328 1.00 0.00 C ATOM 445 CG LYS A 32 8.302 2.090 7.782 1.00 0.00 C ATOM 446 CD LYS A 32 8.508 3.320 6.913 1.00 0.00 C ATOM 447 CE LYS A 32 7.444 4.374 7.178 1.00 0.00 C ATOM 448 NZ LYS A 32 7.820 5.271 8.305 1.00 0.00 N ATOM 0 H LYS A 32 7.153 0.733 4.387 1.00 0.00 H new ATOM 0 HA LYS A 32 8.274 -0.439 6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.389 1.948 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.597 0.871 8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.166 2.395 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.195 1.466 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.495 3.741 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.483 3.033 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.289 4.968 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.497 3.885 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.069 5.975 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.943 4.708 9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.711 5.758 8.079 1.00 0.00 H new ATOM 462 N PRO A 33 6.502 -2.100 6.247 1.00 0.00 N ATOM 463 CA PRO A 33 5.452 -3.112 6.099 1.00 0.00 C ATOM 464 C PRO A 33 4.510 -3.150 7.298 1.00 0.00 C ATOM 465 O PRO A 33 4.952 -3.207 8.445 1.00 0.00 O ATOM 466 CB PRO A 33 6.235 -4.423 5.992 1.00 0.00 C ATOM 467 CG PRO A 33 7.522 -4.154 6.692 1.00 0.00 C ATOM 468 CD PRO A 33 7.830 -2.702 6.448 1.00 0.00 C ATOM 0 HA PRO A 33 4.811 -2.911 5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.695 -5.246 6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.401 -4.701 4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.437 -4.361 7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.317 -4.792 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.350 -2.254 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.468 -2.568 5.575 1.00 0.00 H new ATOM 476 N VAL A 34 3.210 -3.120 7.024 1.00 0.00 N ATOM 477 CA VAL A 34 2.206 -3.153 8.081 1.00 0.00 C ATOM 478 C VAL A 34 1.169 -4.240 7.820 1.00 0.00 C ATOM 479 O VAL A 34 0.266 -4.069 7.000 1.00 0.00 O ATOM 480 CB VAL A 34 1.489 -1.797 8.216 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.473 -1.840 9.349 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.498 -0.681 8.437 1.00 0.00 C ATOM 0 H VAL A 34 2.827 -3.073 6.080 1.00 0.00 H new ATOM 0 HA VAL A 34 2.732 -3.372 9.010 1.00 0.00 H new ATOM 0 HB VAL A 34 0.954 -1.594 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.024 -0.873 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.268 -2.613 9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.982 -2.065 10.286 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.974 0.270 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.062 -0.876 9.349 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.183 -0.636 7.590 1.00 0.00 H new ATOM 492 N THR A 35 1.303 -5.360 8.524 1.00 0.00 N ATOM 493 CA THR A 35 0.378 -6.476 8.369 1.00 0.00 C ATOM 494 C THR A 35 -1.027 -6.092 8.817 1.00 0.00 C ATOM 495 O THR A 35 -1.279 -5.900 10.007 1.00 0.00 O ATOM 496 CB THR A 35 0.843 -7.706 9.172 1.00 0.00 C ATOM 497 OG1 THR A 35 2.225 -7.969 8.908 1.00 0.00 O ATOM 498 CG2 THR A 35 0.011 -8.929 8.817 1.00 0.00 C ATOM 0 H THR A 35 2.044 -5.518 9.207 1.00 0.00 H new ATOM 0 HA THR A 35 0.362 -6.728 7.309 1.00 0.00 H new ATOM 0 HB THR A 35 0.711 -7.492 10.233 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.482 -7.548 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.357 -9.785 9.396 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.037 -8.735 9.047 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.116 -9.144 7.754 1.00 0.00 H new ATOM 506 N ILE A 36 -1.939 -5.981 7.857 1.00 0.00 N ATOM 507 CA ILE A 36 -3.320 -5.622 8.154 1.00 0.00 C ATOM 508 C ILE A 36 -4.145 -6.854 8.509 1.00 0.00 C ATOM 509 O ILE A 36 -3.774 -7.979 8.174 1.00 0.00 O ATOM 510 CB ILE A 36 -3.982 -4.899 6.966 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.329 -5.330 5.651 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.886 -3.391 7.142 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.045 -4.814 4.423 1.00 0.00 C ATOM 0 H ILE A 36 -1.746 -6.134 6.867 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.293 -4.948 9.010 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.036 -5.174 6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.297 -4.978 5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.295 -6.419 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.358 -2.895 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.393 -3.099 8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.838 -3.097 7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.527 -5.158 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.069 -5.187 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.056 -3.724 4.439 1.00 0.00 H new ATOM 525 N ASP A 37 -5.266 -6.634 9.187 1.00 0.00 N ATOM 526 CA ASP A 37 -6.146 -7.726 9.585 1.00 0.00 C ATOM 527 C ASP A 37 -6.528 -8.583 8.381 1.00 0.00 C ATOM 528 O ASP A 37 -7.001 -9.709 8.532 1.00 0.00 O ATOM 529 CB ASP A 37 -7.406 -7.177 10.255 1.00 0.00 C ATOM 530 CG ASP A 37 -7.165 -6.770 11.696 1.00 0.00 C ATOM 531 OD1 ASP A 37 -6.287 -7.377 12.344 1.00 0.00 O ATOM 532 OD2 ASP A 37 -7.855 -5.846 12.175 1.00 0.00 O ATOM 0 H ASP A 37 -5.587 -5.709 9.473 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.608 -8.351 10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.767 -6.316 9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.191 -7.932 10.220 1.00 0.00 H new ATOM 537 N CYS A 38 -6.320 -8.040 7.186 1.00 0.00 N ATOM 538 CA CYS A 38 -6.643 -8.753 5.956 1.00 0.00 C ATOM 539 C CYS A 38 -5.629 -9.860 5.686 1.00 0.00 C ATOM 540 O CYS A 38 -5.947 -10.867 5.055 1.00 0.00 O ATOM 541 CB CYS A 38 -6.681 -7.782 4.774 1.00 0.00 C ATOM 542 SG CYS A 38 -5.079 -7.573 3.932 1.00 0.00 S ATOM 0 H CYS A 38 -5.929 -7.109 7.043 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.626 -9.207 6.077 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.416 -8.135 4.051 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.023 -6.809 5.127 1.00 0.00 H new ATOM 547 N GLY A 39 -4.406 -9.666 6.170 1.00 0.00 N ATOM 548 CA GLY A 39 -3.364 -10.656 5.971 1.00 0.00 C ATOM 549 C GLY A 39 -2.198 -10.117 5.166 1.00 0.00 C ATOM 550 O GLY A 39 -1.041 -10.256 5.566 1.00 0.00 O ATOM 0 H GLY A 39 -4.118 -8.841 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.004 -11.000 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.784 -11.523 5.461 1.00 0.00 H new ATOM 554 N HIS A 40 -2.501 -9.501 4.028 1.00 0.00 N ATOM 555 CA HIS A 40 -1.468 -8.940 3.164 1.00 0.00 C ATOM 556 C HIS A 40 -0.870 -7.679 3.781 1.00 0.00 C ATOM 557 O HIS A 40 -1.397 -7.142 4.754 1.00 0.00 O ATOM 558 CB HIS A 40 -2.045 -8.622 1.785 1.00 0.00 C ATOM 559 CG HIS A 40 -2.876 -9.729 1.213 1.00 0.00 C ATOM 560 ND1 HIS A 40 -4.252 -9.675 1.136 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.518 -10.924 0.688 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.704 -10.790 0.590 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.672 -11.564 0.308 1.00 0.00 N ATOM 0 H HIS A 40 -3.453 -9.378 3.683 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.676 -9.682 3.056 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.654 -7.720 1.854 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.226 -8.402 1.100 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.512 -11.304 0.587 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.741 -11.028 0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.724 -12.487 -0.122 1.00 0.00 H new ATOM 571 N ASN A 41 0.236 -7.213 3.209 1.00 0.00 N ATOM 572 CA ASN A 41 0.907 -6.017 3.703 1.00 0.00 C ATOM 573 C ASN A 41 0.663 -4.832 2.773 1.00 0.00 C ATOM 574 O ASN A 41 0.264 -5.006 1.621 1.00 0.00 O ATOM 575 CB ASN A 41 2.409 -6.270 3.842 1.00 0.00 C ATOM 576 CG ASN A 41 2.759 -6.980 5.136 1.00 0.00 C ATOM 577 OD1 ASN A 41 2.504 -6.468 6.226 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.347 -8.165 5.020 1.00 0.00 N ATOM 0 H ASN A 41 0.686 -7.646 2.403 1.00 0.00 H new ATOM 0 HA ASN A 41 0.494 -5.778 4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.754 -6.868 2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.940 -5.319 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.606 -8.690 5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.539 -8.551 4.095 1.00 0.00 H new ATOM 585 N PHE A 42 0.906 -3.628 3.281 1.00 0.00 N ATOM 586 CA PHE A 42 0.712 -2.415 2.496 1.00 0.00 C ATOM 587 C PHE A 42 1.545 -1.266 3.057 1.00 0.00 C ATOM 588 O PHE A 42 1.947 -1.285 4.221 1.00 0.00 O ATOM 589 CB PHE A 42 -0.767 -2.025 2.476 1.00 0.00 C ATOM 590 CG PHE A 42 -1.605 -2.895 1.583 1.00 0.00 C ATOM 591 CD1 PHE A 42 -2.094 -4.109 2.038 1.00 0.00 C ATOM 592 CD2 PHE A 42 -1.903 -2.498 0.290 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.864 -4.911 1.218 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.673 -3.297 -0.535 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.155 -4.504 -0.070 1.00 0.00 C ATOM 0 H PHE A 42 1.237 -3.467 4.232 1.00 0.00 H new ATOM 0 HA PHE A 42 1.041 -2.616 1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.161 -2.074 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.857 -0.989 2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.871 -4.432 3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.530 -1.554 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.238 -5.856 1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.897 -2.977 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.758 -5.129 -0.712 1.00 0.00 H new ATOM 605 N CYS A 43 1.802 -0.266 2.220 1.00 0.00 N ATOM 606 CA CYS A 43 2.587 0.892 2.630 1.00 0.00 C ATOM 607 C CYS A 43 1.718 1.906 3.368 1.00 0.00 C ATOM 608 O CYS A 43 0.616 2.235 2.925 1.00 0.00 O ATOM 609 CB CYS A 43 3.236 1.551 1.412 1.00 0.00 C ATOM 610 SG CYS A 43 2.219 2.850 0.639 1.00 0.00 S ATOM 0 H CYS A 43 1.478 -0.235 1.253 1.00 0.00 H new ATOM 0 HA CYS A 43 3.368 0.548 3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.191 1.982 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.452 0.783 0.669 1.00 0.00 H new ATOM 615 N LEU A 44 2.220 2.398 4.495 1.00 0.00 N ATOM 616 CA LEU A 44 1.490 3.376 5.295 1.00 0.00 C ATOM 617 C LEU A 44 0.907 4.475 4.413 1.00 0.00 C ATOM 618 O LEU A 44 -0.267 4.826 4.534 1.00 0.00 O ATOM 619 CB LEU A 44 2.411 3.988 6.352 1.00 0.00 C ATOM 620 CG LEU A 44 2.647 3.146 7.606 1.00 0.00 C ATOM 621 CD1 LEU A 44 1.327 2.635 8.163 1.00 0.00 C ATOM 622 CD2 LEU A 44 3.584 1.986 7.301 1.00 0.00 C ATOM 0 H LEU A 44 3.129 2.136 4.876 1.00 0.00 H new ATOM 0 HA LEU A 44 0.668 2.862 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.376 4.192 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.994 4.948 6.657 1.00 0.00 H new ATOM 0 HG LEU A 44 3.116 3.777 8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.515 2.038 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.689 3.480 8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.829 2.020 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.741 1.397 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.143 1.355 6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.540 2.373 6.950 1.00 0.00 H new ATOM 634 N LYS A 45 1.734 5.014 3.524 1.00 0.00 N ATOM 635 CA LYS A 45 1.301 6.072 2.618 1.00 0.00 C ATOM 636 C LYS A 45 -0.010 5.699 1.934 1.00 0.00 C ATOM 637 O LYS A 45 -0.811 6.568 1.588 1.00 0.00 O ATOM 638 CB LYS A 45 2.379 6.343 1.566 1.00 0.00 C ATOM 639 CG LYS A 45 3.710 6.774 2.155 1.00 0.00 C ATOM 640 CD LYS A 45 4.614 7.390 1.100 1.00 0.00 C ATOM 641 CE LYS A 45 5.387 6.324 0.338 1.00 0.00 C ATOM 642 NZ LYS A 45 6.276 6.919 -0.698 1.00 0.00 N ATOM 0 H LYS A 45 2.709 4.736 3.411 1.00 0.00 H new ATOM 0 HA LYS A 45 1.140 6.976 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.529 5.442 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.024 7.118 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.539 7.495 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.206 5.913 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.015 7.975 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.313 8.078 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.985 5.739 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.687 5.636 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.785 6.161 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.703 7.456 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.961 7.556 -0.243 1.00 0.00 H new ATOM 656 N CYS A 46 -0.225 4.401 1.744 1.00 0.00 N ATOM 657 CA CYS A 46 -1.440 3.913 1.103 1.00 0.00 C ATOM 658 C CYS A 46 -2.488 3.529 2.143 1.00 0.00 C ATOM 659 O CYS A 46 -3.678 3.791 1.966 1.00 0.00 O ATOM 660 CB CYS A 46 -1.123 2.708 0.214 1.00 0.00 C ATOM 661 SG CYS A 46 -0.709 3.143 -1.507 1.00 0.00 S ATOM 0 H CYS A 46 0.427 3.668 2.025 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.843 4.716 0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.289 2.158 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.981 2.036 0.211 1.00 0.00 H new ATOM 666 N ILE A 47 -2.037 2.907 3.227 1.00 0.00 N ATOM 667 CA ILE A 47 -2.935 2.489 4.297 1.00 0.00 C ATOM 668 C ILE A 47 -3.624 3.689 4.937 1.00 0.00 C ATOM 669 O ILE A 47 -4.852 3.750 5.007 1.00 0.00 O ATOM 670 CB ILE A 47 -2.184 1.701 5.386 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.605 0.409 4.805 1.00 0.00 C ATOM 672 CG2 ILE A 47 -3.112 1.394 6.552 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.707 -0.337 5.767 1.00 0.00 C ATOM 0 H ILE A 47 -1.055 2.681 3.388 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.686 1.842 3.844 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.360 2.313 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.424 -0.244 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.040 0.647 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.567 0.837 7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.481 2.327 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.954 0.798 6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.333 -1.242 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.133 0.299 6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.273 -0.606 6.659 1.00 0.00 H new ATOM 685 N THR A 48 -2.825 4.645 5.402 1.00 0.00 N ATOM 686 CA THR A 48 -3.357 5.844 6.036 1.00 0.00 C ATOM 687 C THR A 48 -4.443 6.484 5.179 1.00 0.00 C ATOM 688 O THR A 48 -5.588 6.616 5.609 1.00 0.00 O ATOM 689 CB THR A 48 -2.248 6.881 6.297 1.00 0.00 C ATOM 690 OG1 THR A 48 -1.248 6.322 7.157 1.00 0.00 O ATOM 691 CG2 THR A 48 -2.822 8.140 6.930 1.00 0.00 C ATOM 0 H THR A 48 -1.807 4.611 5.351 1.00 0.00 H new ATOM 0 HA THR A 48 -3.786 5.533 6.989 1.00 0.00 H new ATOM 0 HB THR A 48 -1.798 7.147 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.671 5.721 6.641 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.020 8.857 7.105 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.562 8.579 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.296 7.887 7.879 1.00 0.00 H new ATOM 699 N GLN A 49 -4.075 6.878 3.964 1.00 0.00 N ATOM 700 CA GLN A 49 -5.020 7.504 3.046 1.00 0.00 C ATOM 701 C GLN A 49 -6.365 6.786 3.076 1.00 0.00 C ATOM 702 O GLN A 49 -7.411 7.414 3.241 1.00 0.00 O ATOM 703 CB GLN A 49 -4.458 7.501 1.623 1.00 0.00 C ATOM 704 CG GLN A 49 -3.284 8.448 1.431 1.00 0.00 C ATOM 705 CD GLN A 49 -3.670 9.902 1.619 1.00 0.00 C ATOM 706 OE1 GLN A 49 -4.688 10.359 1.098 1.00 0.00 O ATOM 707 NE2 GLN A 49 -2.856 10.638 2.368 1.00 0.00 N ATOM 0 H GLN A 49 -3.131 6.775 3.593 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.172 8.534 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.144 6.489 1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.252 7.773 0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.495 8.191 2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.872 8.312 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.023 10.218 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.064 11.623 2.531 1.00 0.00 H new ATOM 716 N ILE A 50 -6.330 5.467 2.914 1.00 0.00 N ATOM 717 CA ILE A 50 -7.547 4.665 2.923 1.00 0.00 C ATOM 718 C ILE A 50 -8.285 4.801 4.250 1.00 0.00 C ATOM 719 O ILE A 50 -9.515 4.824 4.289 1.00 0.00 O ATOM 720 CB ILE A 50 -7.241 3.177 2.669 1.00 0.00 C ATOM 721 CG1 ILE A 50 -6.565 2.997 1.308 1.00 0.00 C ATOM 722 CG2 ILE A 50 -8.518 2.353 2.744 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.759 1.722 1.197 1.00 0.00 C ATOM 0 H ILE A 50 -5.473 4.932 2.775 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.179 5.041 2.118 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.558 2.825 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.327 3.004 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.910 3.848 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.285 1.304 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.962 2.460 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.222 2.704 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.309 1.661 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.974 1.721 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.413 0.864 1.352 1.00 0.00 H new ATOM 735 N GLY A 51 -7.526 4.893 5.337 1.00 0.00 N ATOM 736 CA GLY A 51 -8.125 5.028 6.652 1.00 0.00 C ATOM 737 C GLY A 51 -8.868 6.339 6.819 1.00 0.00 C ATOM 738 O GLY A 51 -9.928 6.383 7.442 1.00 0.00 O ATOM 0 H GLY A 51 -6.506 4.876 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.813 4.200 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.347 4.956 7.412 1.00 0.00 H new ATOM 742 N GLU A 52 -8.310 7.409 6.261 1.00 0.00 N ATOM 743 CA GLU A 52 -8.926 8.727 6.354 1.00 0.00 C ATOM 744 C GLU A 52 -10.089 8.854 5.375 1.00 0.00 C ATOM 745 O GLU A 52 -11.151 9.375 5.718 1.00 0.00 O ATOM 746 CB GLU A 52 -7.891 9.819 6.077 1.00 0.00 C ATOM 747 CG GLU A 52 -7.176 9.657 4.746 1.00 0.00 C ATOM 748 CD GLU A 52 -6.293 10.843 4.409 1.00 0.00 C ATOM 749 OE1 GLU A 52 -5.669 11.399 5.337 1.00 0.00 O ATOM 750 OE2 GLU A 52 -6.226 11.214 3.219 1.00 0.00 O ATOM 0 H GLU A 52 -7.433 7.389 5.740 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.311 8.849 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.385 10.790 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.153 9.820 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.568 8.752 4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.914 9.522 3.955 1.00 0.00 H new ATOM 757 N THR A 53 -9.882 8.374 4.153 1.00 0.00 N ATOM 758 CA THR A 53 -10.911 8.434 3.123 1.00 0.00 C ATOM 759 C THR A 53 -12.172 7.699 3.562 1.00 0.00 C ATOM 760 O THR A 53 -13.283 8.208 3.414 1.00 0.00 O ATOM 761 CB THR A 53 -10.415 7.830 1.796 1.00 0.00 C ATOM 762 OG1 THR A 53 -9.870 6.526 2.024 1.00 0.00 O ATOM 763 CG2 THR A 53 -9.360 8.721 1.157 1.00 0.00 C ATOM 0 H THR A 53 -9.010 7.939 3.852 1.00 0.00 H new ATOM 0 HA THR A 53 -11.142 9.488 2.970 1.00 0.00 H new ATOM 0 HB THR A 53 -11.264 7.754 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.736 6.073 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.025 8.274 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.786 9.704 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.512 8.824 1.834 1.00 0.00 H new ATOM 771 N SER A 54 -11.993 6.498 4.104 1.00 0.00 N ATOM 772 CA SER A 54 -13.118 5.691 4.562 1.00 0.00 C ATOM 773 C SER A 54 -13.447 5.996 6.021 1.00 0.00 C ATOM 774 O SER A 54 -14.584 6.329 6.355 1.00 0.00 O ATOM 775 CB SER A 54 -12.805 4.203 4.399 1.00 0.00 C ATOM 776 OG SER A 54 -12.585 3.874 3.038 1.00 0.00 O ATOM 0 H SER A 54 -11.080 6.063 4.236 1.00 0.00 H new ATOM 0 HA SER A 54 -13.986 5.942 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.922 3.948 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.631 3.609 4.791 1.00 0.00 H new ATOM 0 HG SER A 54 -12.385 2.918 2.961 1.00 0.00 H new ATOM 782 N CYS A 55 -12.444 5.879 6.883 1.00 0.00 N ATOM 783 CA CYS A 55 -12.625 6.141 8.307 1.00 0.00 C ATOM 784 C CYS A 55 -13.643 5.179 8.911 1.00 0.00 C ATOM 785 O CYS A 55 -14.485 5.576 9.716 1.00 0.00 O ATOM 786 CB CYS A 55 -13.076 7.585 8.527 1.00 0.00 C ATOM 787 SG CYS A 55 -13.034 8.116 10.255 1.00 0.00 S ATOM 0 H CYS A 55 -11.497 5.605 6.622 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.668 5.988 8.805 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -12.440 8.247 7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -14.091 7.699 8.148 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.675 7.256 10.989 1.00 0.00 H new ATOM 793 N GLY A 56 -13.561 3.913 8.515 1.00 0.00 N ATOM 794 CA GLY A 56 -14.482 2.914 9.027 1.00 0.00 C ATOM 795 C GLY A 56 -14.047 1.501 8.695 1.00 0.00 C ATOM 796 O GLY A 56 -13.802 0.692 9.591 1.00 0.00 O ATOM 0 H GLY A 56 -12.874 3.561 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.565 3.021 10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.474 3.092 8.612 1.00 0.00 H new ATOM 800 N PHE A 57 -13.952 1.200 7.404 1.00 0.00 N ATOM 801 CA PHE A 57 -13.546 -0.127 6.956 1.00 0.00 C ATOM 802 C PHE A 57 -12.459 -0.033 5.891 1.00 0.00 C ATOM 803 O PHE A 57 -12.593 0.704 4.914 1.00 0.00 O ATOM 804 CB PHE A 57 -14.751 -0.893 6.405 1.00 0.00 C ATOM 805 CG PHE A 57 -15.492 -1.677 7.450 1.00 0.00 C ATOM 806 CD1 PHE A 57 -16.040 -1.042 8.553 1.00 0.00 C ATOM 807 CD2 PHE A 57 -15.641 -3.049 7.330 1.00 0.00 C ATOM 808 CE1 PHE A 57 -16.722 -1.761 9.517 1.00 0.00 C ATOM 809 CE2 PHE A 57 -16.322 -3.774 8.290 1.00 0.00 C ATOM 810 CZ PHE A 57 -16.864 -3.128 9.384 1.00 0.00 C ATOM 0 H PHE A 57 -14.151 1.857 6.650 1.00 0.00 H new ATOM 0 HA PHE A 57 -13.143 -0.665 7.814 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.437 -0.187 5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.412 -1.574 5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.933 0.027 8.661 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.220 -3.559 6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.143 -1.254 10.373 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.430 -4.843 8.185 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.398 -3.692 10.135 1.00 0.00 H new ATOM 820 N PHE A 58 -11.380 -0.784 6.086 1.00 0.00 N ATOM 821 CA PHE A 58 -10.267 -0.785 5.143 1.00 0.00 C ATOM 822 C PHE A 58 -10.548 -1.721 3.972 1.00 0.00 C ATOM 823 O PHE A 58 -11.176 -2.767 4.134 1.00 0.00 O ATOM 824 CB PHE A 58 -8.975 -1.203 5.847 1.00 0.00 C ATOM 825 CG PHE A 58 -7.800 -1.327 4.920 1.00 0.00 C ATOM 826 CD1 PHE A 58 -7.671 -2.427 4.087 1.00 0.00 C ATOM 827 CD2 PHE A 58 -6.825 -0.343 4.881 1.00 0.00 C ATOM 828 CE1 PHE A 58 -6.591 -2.543 3.232 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.743 -0.454 4.028 1.00 0.00 C ATOM 830 CZ PHE A 58 -5.625 -1.556 3.203 1.00 0.00 C ATOM 0 H PHE A 58 -11.253 -1.400 6.889 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.150 0.227 4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.741 -0.473 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.136 -2.158 6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.423 -3.202 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.912 0.520 5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.503 -3.405 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.990 0.320 4.006 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.780 -1.646 2.537 1.00 0.00 H new ATOM 840 N LYS A 59 -10.078 -1.337 2.790 1.00 0.00 N ATOM 841 CA LYS A 59 -10.276 -2.141 1.589 1.00 0.00 C ATOM 842 C LYS A 59 -8.942 -2.631 1.036 1.00 0.00 C ATOM 843 O LYS A 59 -7.978 -1.869 0.947 1.00 0.00 O ATOM 844 CB LYS A 59 -11.015 -1.329 0.523 1.00 0.00 C ATOM 845 CG LYS A 59 -11.562 -2.174 -0.614 1.00 0.00 C ATOM 846 CD LYS A 59 -12.189 -1.312 -1.697 1.00 0.00 C ATOM 847 CE LYS A 59 -12.942 -2.156 -2.715 1.00 0.00 C ATOM 848 NZ LYS A 59 -12.016 -2.860 -3.644 1.00 0.00 N ATOM 0 H LYS A 59 -9.557 -0.473 2.638 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.878 -3.009 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.838 -0.791 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.337 -0.580 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.758 -2.772 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.305 -2.870 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.871 -0.594 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.412 -0.738 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.560 -2.888 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.616 -1.519 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.567 -3.424 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.444 -2.161 -4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.389 -3.487 -3.100 1.00 0.00 H new ATOM 862 N CYS A 60 -8.892 -3.905 0.664 1.00 0.00 N ATOM 863 CA CYS A 60 -7.677 -4.497 0.118 1.00 0.00 C ATOM 864 C CYS A 60 -7.912 -5.012 -1.299 1.00 0.00 C ATOM 865 O CYS A 60 -8.829 -5.791 -1.559 1.00 0.00 O ATOM 866 CB CYS A 60 -7.193 -5.639 1.014 1.00 0.00 C ATOM 867 SG CYS A 60 -5.675 -6.455 0.425 1.00 0.00 S ATOM 0 H CYS A 60 -9.680 -4.549 0.731 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.910 -3.723 0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.018 -5.250 2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.985 -6.384 1.095 1.00 0.00 H new ATOM 872 N PRO A 61 -7.063 -4.568 -2.238 1.00 0.00 N ATOM 873 CA PRO A 61 -7.156 -4.972 -3.644 1.00 0.00 C ATOM 874 C PRO A 61 -6.778 -6.434 -3.854 1.00 0.00 C ATOM 875 O PRO A 61 -7.359 -7.121 -4.696 1.00 0.00 O ATOM 876 CB PRO A 61 -6.151 -4.054 -4.344 1.00 0.00 C ATOM 877 CG PRO A 61 -5.168 -3.691 -3.285 1.00 0.00 C ATOM 878 CD PRO A 61 -5.946 -3.639 -1.999 1.00 0.00 C ATOM 0 HA PRO A 61 -8.173 -4.884 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.665 -4.561 -5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.640 -3.169 -4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.367 -4.428 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.702 -2.729 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.339 -3.951 -1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.301 -2.631 -1.784 1.00 0.00 H new ATOM 886 N LEU A 62 -5.804 -6.905 -3.084 1.00 0.00 N ATOM 887 CA LEU A 62 -5.348 -8.287 -3.185 1.00 0.00 C ATOM 888 C LEU A 62 -6.422 -9.251 -2.693 1.00 0.00 C ATOM 889 O LEU A 62 -6.681 -10.281 -3.317 1.00 0.00 O ATOM 890 CB LEU A 62 -4.063 -8.481 -2.379 1.00 0.00 C ATOM 891 CG LEU A 62 -2.936 -7.487 -2.662 1.00 0.00 C ATOM 892 CD1 LEU A 62 -1.777 -7.707 -1.703 1.00 0.00 C ATOM 893 CD2 LEU A 62 -2.468 -7.609 -4.105 1.00 0.00 C ATOM 0 H LEU A 62 -5.314 -6.350 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.146 -8.502 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.311 -8.426 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.688 -9.487 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.320 -6.478 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.985 -6.991 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.121 -7.568 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.393 -8.720 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.666 -6.894 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.102 -8.620 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.301 -7.400 -4.776 1.00 0.00 H new ATOM 905 N CYS A 63 -7.046 -8.911 -1.570 1.00 0.00 N ATOM 906 CA CYS A 63 -8.093 -9.745 -0.993 1.00 0.00 C ATOM 907 C CYS A 63 -9.208 -9.995 -2.005 1.00 0.00 C ATOM 908 O CYS A 63 -9.524 -9.131 -2.822 1.00 0.00 O ATOM 909 CB CYS A 63 -8.667 -9.084 0.262 1.00 0.00 C ATOM 910 SG CYS A 63 -7.699 -9.392 1.774 1.00 0.00 S ATOM 0 H CYS A 63 -6.844 -8.062 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.651 -10.704 -0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.730 -8.008 0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.685 -9.443 0.416 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.313 2.124 -1.409 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.597 -8.356 1.797 1.00 0.00 ZN