USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 627 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 31 THR OG1 : rot -74:sc= 0.128 USER MOD Set 1.2: A 32 ASN : amide:sc= 0.00845 X(o=0.14,f=-0.15) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0706 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 1.19 USER MOD Single : A 3 SER OG : rot 32:sc= 1.16 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 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.6) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.164 (180deg=-0.652) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -44:sc= -2.39 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -106:sc= -0.393 (180deg=-1.12) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= -0.742 (180deg=-2.27!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.0529 (180deg=-0.345) USER MOD Single : A 47 MET CE :methyl -155:sc= -0.876 (180deg=-1.71!) USER MOD Single : A 49 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.72!) USER MOD Single : A 50 ASN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00961 X(o=-0.0096,f=0) USER MOD Single : A 59 TYR OH : rot -26:sc= 1.26 USER MOD Single : A 61 THR OG1 : rot 72:sc= 0.29 USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -0.34 (180deg=-1.71) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 95:sc= 0.697 USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= -0.324 (180deg=-0.588) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.812 -2.118 -1.061 1.00 0.00 N ATOM 2 CA GLY A 1 16.880 -2.413 -0.123 1.00 0.00 C ATOM 3 C GLY A 1 16.573 -3.618 0.744 1.00 0.00 C ATOM 4 O GLY A 1 15.682 -4.407 0.430 1.00 0.00 O ATOM 0 H1 GLY A 1 16.207 -2.023 -2.018 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.116 -2.890 -1.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.347 -1.228 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.804 -2.591 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.050 -1.545 0.514 1.00 0.00 H new ATOM 8 N SER A 2 17.315 -3.763 1.837 1.00 0.00 N ATOM 9 CA SER A 2 17.122 -4.884 2.750 1.00 0.00 C ATOM 10 C SER A 2 16.622 -4.399 4.107 1.00 0.00 C ATOM 11 O SER A 2 17.403 -3.943 4.942 1.00 0.00 O ATOM 12 CB SER A 2 18.429 -5.660 2.922 1.00 0.00 C ATOM 13 OG SER A 2 19.417 -4.860 3.548 1.00 0.00 O ATOM 0 H SER A 2 18.056 -3.118 2.112 1.00 0.00 H new ATOM 0 HA SER A 2 16.370 -5.545 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.249 -6.554 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.789 -5.993 1.949 1.00 0.00 H new ATOM 0 HG SER A 2 18.997 -4.294 4.229 1.00 0.00 H new ATOM 19 N SER A 3 15.314 -4.502 4.320 1.00 0.00 N ATOM 20 CA SER A 3 14.707 -4.071 5.574 1.00 0.00 C ATOM 21 C SER A 3 13.304 -4.650 5.726 1.00 0.00 C ATOM 22 O SER A 3 12.535 -4.704 4.767 1.00 0.00 O ATOM 23 CB SER A 3 14.651 -2.544 5.640 1.00 0.00 C ATOM 24 OG SER A 3 15.879 -2.008 6.101 1.00 0.00 O ATOM 0 H SER A 3 14.654 -4.880 3.640 1.00 0.00 H new ATOM 0 HA SER A 3 15.324 -4.440 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.423 -2.142 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.844 -2.235 6.304 1.00 0.00 H new ATOM 0 HG SER A 3 16.617 -2.580 5.804 1.00 0.00 H new ATOM 30 N GLY A 4 12.976 -5.082 6.940 1.00 0.00 N ATOM 31 CA GLY A 4 11.666 -5.651 7.197 1.00 0.00 C ATOM 32 C GLY A 4 11.426 -5.911 8.671 1.00 0.00 C ATOM 33 O GLY A 4 12.185 -5.447 9.522 1.00 0.00 O ATOM 0 H GLY A 4 13.595 -5.048 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.899 -4.974 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.564 -6.585 6.645 1.00 0.00 H new ATOM 37 N SER A 5 10.365 -6.653 8.974 1.00 0.00 N ATOM 38 CA SER A 5 10.023 -6.968 10.356 1.00 0.00 C ATOM 39 C SER A 5 10.245 -8.450 10.645 1.00 0.00 C ATOM 40 O SER A 5 10.565 -9.228 9.747 1.00 0.00 O ATOM 41 CB SER A 5 8.568 -6.593 10.642 1.00 0.00 C ATOM 42 OG SER A 5 8.330 -5.225 10.363 1.00 0.00 O ATOM 0 H SER A 5 9.728 -7.047 8.281 1.00 0.00 H new ATOM 0 HA SER A 5 10.675 -6.386 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.904 -7.211 10.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.334 -6.800 11.686 1.00 0.00 H new ATOM 0 HG SER A 5 7.393 -5.011 10.552 1.00 0.00 H new ATOM 48 N SER A 6 10.072 -8.832 11.907 1.00 0.00 N ATOM 49 CA SER A 6 10.257 -10.219 12.317 1.00 0.00 C ATOM 50 C SER A 6 9.252 -10.604 13.399 1.00 0.00 C ATOM 51 O SER A 6 9.300 -10.094 14.517 1.00 0.00 O ATOM 52 CB SER A 6 11.682 -10.436 12.829 1.00 0.00 C ATOM 53 OG SER A 6 12.637 -10.068 11.850 1.00 0.00 O ATOM 0 H SER A 6 9.804 -8.201 12.662 1.00 0.00 H new ATOM 0 HA SER A 6 10.090 -10.854 11.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.840 -9.849 13.734 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.819 -11.483 13.100 1.00 0.00 H new ATOM 0 HG SER A 6 13.540 -10.215 12.202 1.00 0.00 H new ATOM 59 N GLY A 7 8.340 -11.509 13.055 1.00 0.00 N ATOM 60 CA GLY A 7 7.335 -11.948 14.007 1.00 0.00 C ATOM 61 C GLY A 7 6.520 -13.117 13.491 1.00 0.00 C ATOM 62 O GLY A 7 6.891 -13.755 12.507 1.00 0.00 O ATOM 0 H GLY A 7 8.279 -11.946 12.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.822 -12.232 14.940 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.668 -11.117 14.236 1.00 0.00 H new ATOM 66 N ASN A 8 5.406 -13.400 14.159 1.00 0.00 N ATOM 67 CA ASN A 8 4.537 -14.502 13.763 1.00 0.00 C ATOM 68 C ASN A 8 3.082 -14.049 13.690 1.00 0.00 C ATOM 69 O ASN A 8 2.423 -14.208 12.663 1.00 0.00 O ATOM 70 CB ASN A 8 4.672 -15.665 14.749 1.00 0.00 C ATOM 71 CG ASN A 8 4.610 -15.207 16.194 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.558 -15.268 16.831 1.00 0.00 O ATOM 73 ND2 ASN A 8 5.740 -14.747 16.717 1.00 0.00 N ATOM 0 H ASN A 8 5.084 -12.882 14.976 1.00 0.00 H new ATOM 0 HA ASN A 8 4.845 -14.836 12.772 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.877 -16.388 14.565 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.617 -16.179 14.574 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.760 -14.426 17.685 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.588 -14.715 16.151 1.00 0.00 H new ATOM 80 N ALA A 9 2.589 -13.483 14.787 1.00 0.00 N ATOM 81 CA ALA A 9 1.213 -13.005 14.847 1.00 0.00 C ATOM 82 C ALA A 9 0.889 -12.115 13.651 1.00 0.00 C ATOM 83 O ALA A 9 1.727 -11.354 13.167 1.00 0.00 O ATOM 84 CB ALA A 9 0.973 -12.252 16.147 1.00 0.00 C ATOM 0 H ALA A 9 3.122 -13.344 15.646 1.00 0.00 H new ATOM 0 HA ALA A 9 0.551 -13.871 14.813 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.058 -11.901 16.179 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.156 -12.916 16.991 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.649 -11.399 16.203 1.00 0.00 H new ATOM 90 N PRO A 10 -0.356 -12.212 13.161 1.00 0.00 N ATOM 91 CA PRO A 10 -0.819 -11.424 12.015 1.00 0.00 C ATOM 92 C PRO A 10 -0.961 -9.943 12.350 1.00 0.00 C ATOM 93 O PRO A 10 -1.369 -9.582 13.454 1.00 0.00 O ATOM 94 CB PRO A 10 -2.186 -12.033 11.695 1.00 0.00 C ATOM 95 CG PRO A 10 -2.647 -12.626 12.981 1.00 0.00 C ATOM 96 CD PRO A 10 -1.407 -13.099 13.688 1.00 0.00 C ATOM 0 HA PRO A 10 -0.115 -11.461 11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.883 -11.275 11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.109 -12.790 10.915 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.181 -11.889 13.581 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.335 -13.453 12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.503 -13.010 14.770 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.195 -14.146 13.471 1.00 0.00 H new ATOM 104 N LYS A 11 -0.622 -9.089 11.390 1.00 0.00 N ATOM 105 CA LYS A 11 -0.713 -7.647 11.581 1.00 0.00 C ATOM 106 C LYS A 11 -2.122 -7.146 11.281 1.00 0.00 C ATOM 107 O LYS A 11 -2.780 -7.630 10.360 1.00 0.00 O ATOM 108 CB LYS A 11 0.297 -6.928 10.684 1.00 0.00 C ATOM 109 CG LYS A 11 1.744 -7.219 11.042 1.00 0.00 C ATOM 110 CD LYS A 11 2.699 -6.302 10.297 1.00 0.00 C ATOM 111 CE LYS A 11 4.081 -6.923 10.166 1.00 0.00 C ATOM 112 NZ LYS A 11 4.056 -8.164 9.343 1.00 0.00 N ATOM 0 H LYS A 11 -0.281 -9.371 10.471 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.483 -7.429 12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.122 -7.219 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.125 -5.853 10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.885 -7.098 12.116 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.976 -8.257 10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.300 -6.088 9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.775 -5.350 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.762 -6.202 9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.471 -7.153 11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.995 -8.322 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.804 -8.974 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.352 -8.063 8.584 1.00 0.00 H new ATOM 126 N ARG A 12 -2.578 -6.173 12.063 1.00 0.00 N ATOM 127 CA ARG A 12 -3.909 -5.607 11.880 1.00 0.00 C ATOM 128 C ARG A 12 -4.085 -5.080 10.459 1.00 0.00 C ATOM 129 O ARG A 12 -3.159 -4.546 9.850 1.00 0.00 O ATOM 130 CB ARG A 12 -4.150 -4.480 12.887 1.00 0.00 C ATOM 131 CG ARG A 12 -4.746 -4.956 14.202 1.00 0.00 C ATOM 132 CD ARG A 12 -3.715 -5.688 15.048 1.00 0.00 C ATOM 133 NE ARG A 12 -4.182 -5.903 16.414 1.00 0.00 N ATOM 134 CZ ARG A 12 -4.141 -4.972 17.361 1.00 0.00 C ATOM 135 NH1 ARG A 12 -3.657 -3.768 17.089 1.00 0.00 N ATOM 136 NH2 ARG A 12 -4.585 -5.244 18.581 1.00 0.00 N ATOM 0 H ARG A 12 -2.046 -5.760 12.829 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.639 -6.398 12.049 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.205 -3.975 13.088 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.817 -3.742 12.441 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.134 -4.102 14.757 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.590 -5.616 14.002 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.485 -6.649 14.588 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.789 -5.114 15.068 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.561 -6.819 16.655 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.315 -3.555 16.152 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.626 -3.054 17.817 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.959 -6.169 18.793 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.553 -4.528 19.307 1.00 0.00 H new ATOM 150 N PRO A 13 -5.303 -5.234 9.917 1.00 0.00 N ATOM 151 CA PRO A 13 -5.629 -4.780 8.562 1.00 0.00 C ATOM 152 C PRO A 13 -5.665 -3.260 8.453 1.00 0.00 C ATOM 153 O PRO A 13 -6.004 -2.553 9.402 1.00 0.00 O ATOM 154 CB PRO A 13 -7.022 -5.367 8.318 1.00 0.00 C ATOM 155 CG PRO A 13 -7.607 -5.534 9.677 1.00 0.00 C ATOM 156 CD PRO A 13 -6.455 -5.862 10.586 1.00 0.00 C ATOM 0 HA PRO A 13 -4.883 -5.099 7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.630 -4.702 7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.963 -6.320 7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.111 -4.623 9.999 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.351 -6.331 9.687 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.606 -5.460 11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.320 -6.938 10.692 1.00 0.00 H new ATOM 164 N PRO A 14 -5.307 -2.742 7.268 1.00 0.00 N ATOM 165 CA PRO A 14 -5.292 -1.300 7.006 1.00 0.00 C ATOM 166 C PRO A 14 -6.695 -0.705 6.953 1.00 0.00 C ATOM 167 O PRO A 14 -7.679 -1.426 6.791 1.00 0.00 O ATOM 168 CB PRO A 14 -4.614 -1.195 5.638 1.00 0.00 C ATOM 169 CG PRO A 14 -4.874 -2.509 4.985 1.00 0.00 C ATOM 170 CD PRO A 14 -4.892 -3.526 6.092 1.00 0.00 C ATOM 0 HA PRO A 14 -4.780 -0.748 7.794 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.028 -0.373 5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.545 -1.008 5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.824 -2.498 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.099 -2.742 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.590 -4.336 5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.912 -3.980 6.237 1.00 0.00 H new ATOM 178 N SER A 15 -6.779 0.614 7.091 1.00 0.00 N ATOM 179 CA SER A 15 -8.062 1.306 7.062 1.00 0.00 C ATOM 180 C SER A 15 -8.202 2.138 5.791 1.00 0.00 C ATOM 181 O SER A 15 -7.216 2.634 5.248 1.00 0.00 O ATOM 182 CB SER A 15 -8.210 2.203 8.292 1.00 0.00 C ATOM 183 OG SER A 15 -7.150 3.141 8.369 1.00 0.00 O ATOM 0 H SER A 15 -5.973 1.225 7.224 1.00 0.00 H new ATOM 0 HA SER A 15 -8.852 0.555 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.163 2.729 8.250 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.224 1.590 9.193 1.00 0.00 H new ATOM 0 HG SER A 15 -7.268 3.704 9.163 1.00 0.00 H new ATOM 189 N GLY A 16 -9.437 2.287 5.321 1.00 0.00 N ATOM 190 CA GLY A 16 -9.686 3.059 4.118 1.00 0.00 C ATOM 191 C GLY A 16 -8.788 4.276 4.015 1.00 0.00 C ATOM 192 O GLY A 16 -8.337 4.634 2.926 1.00 0.00 O ATOM 0 H GLY A 16 -10.270 1.886 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.535 2.424 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.728 3.378 4.104 1.00 0.00 H new ATOM 196 N PHE A 17 -8.528 4.916 5.150 1.00 0.00 N ATOM 197 CA PHE A 17 -7.680 6.102 5.183 1.00 0.00 C ATOM 198 C PHE A 17 -6.242 5.753 4.812 1.00 0.00 C ATOM 199 O PHE A 17 -5.581 6.491 4.081 1.00 0.00 O ATOM 200 CB PHE A 17 -7.719 6.745 6.571 1.00 0.00 C ATOM 201 CG PHE A 17 -6.523 7.603 6.868 1.00 0.00 C ATOM 202 CD1 PHE A 17 -6.029 8.479 5.915 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.892 7.533 8.100 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.928 9.271 6.185 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.792 8.323 8.376 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.309 9.192 7.417 1.00 0.00 C ATOM 0 H PHE A 17 -8.893 4.633 6.060 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.063 6.812 4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.621 7.351 6.657 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.789 5.960 7.324 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.509 8.544 4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.264 6.854 8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.553 9.950 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.310 8.261 9.341 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.449 9.809 7.630 1.00 0.00 H new ATOM 216 N PHE A 18 -5.764 4.623 5.321 1.00 0.00 N ATOM 217 CA PHE A 18 -4.403 4.175 5.045 1.00 0.00 C ATOM 218 C PHE A 18 -4.271 3.692 3.604 1.00 0.00 C ATOM 219 O PHE A 18 -3.457 4.207 2.837 1.00 0.00 O ATOM 220 CB PHE A 18 -4.007 3.055 6.009 1.00 0.00 C ATOM 221 CG PHE A 18 -2.608 2.551 5.800 1.00 0.00 C ATOM 222 CD1 PHE A 18 -1.524 3.236 6.325 1.00 0.00 C ATOM 223 CD2 PHE A 18 -2.376 1.392 5.077 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.236 2.775 6.133 1.00 0.00 C ATOM 225 CE2 PHE A 18 -1.089 0.925 4.882 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.018 1.618 5.412 1.00 0.00 C ATOM 0 H PHE A 18 -6.298 4.000 5.927 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.732 5.022 5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.105 3.416 7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.704 2.225 5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.688 4.141 6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.210 0.847 4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.600 3.319 6.547 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.922 0.020 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.988 1.255 5.263 1.00 0.00 H new ATOM 236 N LEU A 19 -5.077 2.699 3.243 1.00 0.00 N ATOM 237 CA LEU A 19 -5.051 2.145 1.894 1.00 0.00 C ATOM 238 C LEU A 19 -4.826 3.242 0.859 1.00 0.00 C ATOM 239 O LEU A 19 -4.086 3.056 -0.107 1.00 0.00 O ATOM 240 CB LEU A 19 -6.360 1.410 1.599 1.00 0.00 C ATOM 241 CG LEU A 19 -6.528 0.044 2.266 1.00 0.00 C ATOM 242 CD1 LEU A 19 -7.994 -0.360 2.292 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.696 -1.007 1.547 1.00 0.00 C ATOM 0 H LEU A 19 -5.756 2.261 3.866 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.223 1.439 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.189 2.047 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.444 1.278 0.520 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.174 0.117 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.094 -1.334 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.565 0.380 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.374 -0.415 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.828 -1.972 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.019 -1.079 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.644 -0.724 1.581 1.00 0.00 H new ATOM 255 N PHE A 20 -5.468 4.387 1.068 1.00 0.00 N ATOM 256 CA PHE A 20 -5.336 5.515 0.153 1.00 0.00 C ATOM 257 C PHE A 20 -3.981 6.196 0.321 1.00 0.00 C ATOM 258 O PHE A 20 -3.353 6.602 -0.658 1.00 0.00 O ATOM 259 CB PHE A 20 -6.460 6.525 0.392 1.00 0.00 C ATOM 260 CG PHE A 20 -6.107 7.925 -0.025 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.220 8.681 0.724 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.662 8.483 -1.164 1.00 0.00 C ATOM 263 CE1 PHE A 20 -4.892 9.969 0.344 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.338 9.770 -1.550 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.453 10.514 -0.795 1.00 0.00 C ATOM 0 H PHE A 20 -6.084 4.558 1.862 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.408 5.135 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.348 6.205 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.719 6.524 1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.780 8.259 1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.356 7.906 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.199 10.548 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.777 10.193 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.200 11.520 -1.094 1.00 0.00 H new ATOM 275 N CYS A 21 -3.537 6.317 1.567 1.00 0.00 N ATOM 276 CA CYS A 21 -2.257 6.950 1.864 1.00 0.00 C ATOM 277 C CYS A 21 -1.107 6.177 1.227 1.00 0.00 C ATOM 278 O CYS A 21 -0.156 6.767 0.715 1.00 0.00 O ATOM 279 CB CYS A 21 -2.049 7.044 3.376 1.00 0.00 C ATOM 280 SG CYS A 21 -1.322 5.562 4.115 1.00 0.00 S ATOM 0 H CYS A 21 -4.044 5.985 2.388 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.271 7.956 1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.406 7.897 3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.009 7.241 3.853 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.894 4.505 3.620 1.00 0.00 H new ATOM 286 N SER A 22 -1.200 4.851 1.265 1.00 0.00 N ATOM 287 CA SER A 22 -0.165 3.996 0.697 1.00 0.00 C ATOM 288 C SER A 22 -0.214 4.023 -0.828 1.00 0.00 C ATOM 289 O SER A 22 0.788 3.770 -1.496 1.00 0.00 O ATOM 290 CB SER A 22 -0.328 2.560 1.198 1.00 0.00 C ATOM 291 OG SER A 22 0.874 1.826 1.044 1.00 0.00 O ATOM 0 H SER A 22 -1.982 4.346 1.683 1.00 0.00 H new ATOM 0 HA SER A 22 0.804 4.378 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.620 2.569 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.131 2.069 0.648 1.00 0.00 H new ATOM 0 HG SER A 22 0.744 0.912 1.373 1.00 0.00 H new ATOM 297 N GLU A 23 -1.388 4.331 -1.370 1.00 0.00 N ATOM 298 CA GLU A 23 -1.569 4.390 -2.816 1.00 0.00 C ATOM 299 C GLU A 23 -1.122 5.742 -3.365 1.00 0.00 C ATOM 300 O GLU A 23 -0.748 5.857 -4.533 1.00 0.00 O ATOM 301 CB GLU A 23 -3.033 4.138 -3.180 1.00 0.00 C ATOM 302 CG GLU A 23 -3.464 4.812 -4.472 1.00 0.00 C ATOM 303 CD GLU A 23 -4.830 4.352 -4.943 1.00 0.00 C ATOM 304 OE1 GLU A 23 -5.836 4.725 -4.303 1.00 0.00 O ATOM 305 OE2 GLU A 23 -4.893 3.618 -5.951 1.00 0.00 O ATOM 0 H GLU A 23 -2.227 4.543 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.952 3.612 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.197 3.064 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.667 4.491 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.479 5.892 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.728 4.605 -5.248 1.00 0.00 H new ATOM 312 N PHE A 24 -1.165 6.762 -2.516 1.00 0.00 N ATOM 313 CA PHE A 24 -0.766 8.107 -2.915 1.00 0.00 C ATOM 314 C PHE A 24 0.687 8.379 -2.536 1.00 0.00 C ATOM 315 O PHE A 24 1.310 9.308 -3.050 1.00 0.00 O ATOM 316 CB PHE A 24 -1.679 9.147 -2.262 1.00 0.00 C ATOM 317 CG PHE A 24 -2.886 9.488 -3.088 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.906 8.566 -3.260 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.002 10.730 -3.692 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.018 8.877 -4.021 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.111 11.046 -4.453 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.121 10.119 -4.616 1.00 0.00 C ATOM 0 H PHE A 24 -1.472 6.684 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.860 8.180 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.006 8.773 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.107 10.056 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.832 7.594 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.216 11.460 -3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.805 8.149 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.188 12.017 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.990 10.365 -5.208 1.00 0.00 H new ATOM 332 N ARG A 25 1.219 7.562 -1.633 1.00 0.00 N ATOM 333 CA ARG A 25 2.597 7.715 -1.183 1.00 0.00 C ATOM 334 C ARG A 25 3.554 7.774 -2.371 1.00 0.00 C ATOM 335 O ARG A 25 4.454 8.611 -2.433 1.00 0.00 O ATOM 336 CB ARG A 25 2.986 6.559 -0.259 1.00 0.00 C ATOM 337 CG ARG A 25 3.987 6.949 0.816 1.00 0.00 C ATOM 338 CD ARG A 25 3.970 5.966 1.976 1.00 0.00 C ATOM 339 NE ARG A 25 4.442 4.642 1.580 1.00 0.00 N ATOM 340 CZ ARG A 25 4.516 3.609 2.411 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.149 3.745 3.678 1.00 0.00 N ATOM 342 NH2 ARG A 25 4.956 2.435 1.975 1.00 0.00 N ATOM 0 H ARG A 25 0.717 6.788 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 25 2.670 8.653 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.087 6.168 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.406 5.751 -0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.988 6.988 0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.758 7.950 1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.596 6.347 2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.956 5.887 2.369 1.00 0.00 H new ATOM 0 HE ARG A 25 4.731 4.503 0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.809 4.645 4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.207 2.950 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.238 2.326 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.012 1.642 2.614 1.00 0.00 H new ATOM 356 N PRO A 26 3.356 6.863 -3.335 1.00 0.00 N ATOM 357 CA PRO A 26 4.191 6.791 -4.538 1.00 0.00 C ATOM 358 C PRO A 26 4.381 8.154 -5.195 1.00 0.00 C ATOM 359 O PRO A 26 5.503 8.552 -5.509 1.00 0.00 O ATOM 360 CB PRO A 26 3.402 5.859 -5.462 1.00 0.00 C ATOM 361 CG PRO A 26 2.594 5.009 -4.542 1.00 0.00 C ATOM 362 CD PRO A 26 2.302 5.834 -3.326 1.00 0.00 C ATOM 0 HA PRO A 26 5.198 6.440 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.764 6.423 -6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.068 5.254 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.669 4.691 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.140 4.105 -4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.308 6.279 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.338 5.233 -2.417 1.00 0.00 H new ATOM 370 N LYS A 27 3.279 8.867 -5.398 1.00 0.00 N ATOM 371 CA LYS A 27 3.323 10.187 -6.016 1.00 0.00 C ATOM 372 C LYS A 27 4.163 11.149 -5.182 1.00 0.00 C ATOM 373 O LYS A 27 5.095 11.774 -5.689 1.00 0.00 O ATOM 374 CB LYS A 27 1.907 10.743 -6.183 1.00 0.00 C ATOM 375 CG LYS A 27 1.023 9.894 -7.079 1.00 0.00 C ATOM 376 CD LYS A 27 -0.440 9.999 -6.680 1.00 0.00 C ATOM 377 CE LYS A 27 -1.257 8.850 -7.250 1.00 0.00 C ATOM 378 NZ LYS A 27 -0.758 7.528 -6.781 1.00 0.00 N ATOM 0 H LYS A 27 2.343 8.552 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 27 3.784 10.086 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.441 10.828 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.967 11.750 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.142 10.211 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.342 8.853 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.523 10.001 -5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.847 10.947 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.301 8.968 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.223 8.885 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.255 7.052 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.109 7.666 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.561 6.941 -6.478 1.00 0.00 H new ATOM 392 N ILE A 28 3.829 11.262 -3.901 1.00 0.00 N ATOM 393 CA ILE A 28 4.554 12.146 -2.997 1.00 0.00 C ATOM 394 C ILE A 28 6.053 11.870 -3.044 1.00 0.00 C ATOM 395 O ILE A 28 6.851 12.762 -3.334 1.00 0.00 O ATOM 396 CB ILE A 28 4.062 11.995 -1.546 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.535 12.085 -1.490 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.693 13.058 -0.659 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.982 12.115 -0.083 1.00 0.00 C ATOM 0 H ILE A 28 3.060 10.752 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 28 4.363 13.165 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 28 4.364 11.015 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.213 12.983 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.109 11.233 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.335 12.938 0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.778 12.951 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.419 14.047 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.895 12.179 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.274 11.205 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.379 12.982 0.445 1.00 0.00 H new ATOM 411 N LYS A 29 6.430 10.628 -2.759 1.00 0.00 N ATOM 412 CA LYS A 29 7.833 10.232 -2.772 1.00 0.00 C ATOM 413 C LYS A 29 8.434 10.400 -4.164 1.00 0.00 C ATOM 414 O LYS A 29 9.653 10.385 -4.330 1.00 0.00 O ATOM 415 CB LYS A 29 7.978 8.779 -2.314 1.00 0.00 C ATOM 416 CG LYS A 29 7.451 8.528 -0.912 1.00 0.00 C ATOM 417 CD LYS A 29 8.195 7.391 -0.232 1.00 0.00 C ATOM 418 CE LYS A 29 9.532 7.854 0.325 1.00 0.00 C ATOM 419 NZ LYS A 29 10.623 7.738 -0.682 1.00 0.00 N ATOM 0 H LYS A 29 5.783 9.878 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 29 8.374 10.880 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.449 8.132 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.030 8.498 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.550 9.436 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.388 8.292 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.584 6.986 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.357 6.583 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.449 8.890 0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.784 7.261 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.484 7.379 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.333 7.081 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.816 8.673 -1.094 1.00 0.00 H new ATOM 433 N SER A 30 7.569 10.560 -5.161 1.00 0.00 N ATOM 434 CA SER A 30 8.014 10.728 -6.539 1.00 0.00 C ATOM 435 C SER A 30 8.061 12.205 -6.918 1.00 0.00 C ATOM 436 O SER A 30 8.804 12.606 -7.815 1.00 0.00 O ATOM 437 CB SER A 30 7.086 9.974 -7.493 1.00 0.00 C ATOM 438 OG SER A 30 7.626 9.930 -8.802 1.00 0.00 O ATOM 0 H SER A 30 6.556 10.577 -5.040 1.00 0.00 H new ATOM 0 HA SER A 30 9.020 10.317 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.929 8.959 -7.127 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.110 10.459 -7.515 1.00 0.00 H new ATOM 0 HG SER A 30 7.015 9.441 -9.392 1.00 0.00 H new ATOM 444 N THR A 31 7.262 13.013 -6.228 1.00 0.00 N ATOM 445 CA THR A 31 7.210 14.445 -6.492 1.00 0.00 C ATOM 446 C THR A 31 8.295 15.186 -5.719 1.00 0.00 C ATOM 447 O THR A 31 8.968 16.062 -6.261 1.00 0.00 O ATOM 448 CB THR A 31 5.837 15.036 -6.120 1.00 0.00 C ATOM 449 OG1 THR A 31 5.236 14.259 -5.078 1.00 0.00 O ATOM 450 CG2 THR A 31 4.916 15.068 -7.330 1.00 0.00 C ATOM 0 H THR A 31 6.642 12.699 -5.482 1.00 0.00 H new ATOM 0 HA THR A 31 7.376 14.575 -7.561 1.00 0.00 H new ATOM 0 HB THR A 31 5.988 16.057 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.909 13.413 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.953 15.489 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.363 15.683 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.772 14.055 -7.704 1.00 0.00 H new ATOM 458 N ASN A 32 8.460 14.829 -4.450 1.00 0.00 N ATOM 459 CA ASN A 32 9.465 15.460 -3.602 1.00 0.00 C ATOM 460 C ASN A 32 10.719 14.597 -3.510 1.00 0.00 C ATOM 461 O ASN A 32 10.687 13.458 -3.043 1.00 0.00 O ATOM 462 CB ASN A 32 8.899 15.708 -2.203 1.00 0.00 C ATOM 463 CG ASN A 32 7.598 16.487 -2.235 1.00 0.00 C ATOM 464 OD1 ASN A 32 7.584 17.702 -2.037 1.00 0.00 O ATOM 465 ND2 ASN A 32 6.496 15.788 -2.485 1.00 0.00 N ATOM 0 H ASN A 32 7.911 14.106 -3.986 1.00 0.00 H new ATOM 0 HA ASN A 32 9.736 16.415 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.735 14.752 -1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.632 16.254 -1.609 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.591 16.257 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.555 14.782 -2.643 1.00 0.00 H new ATOM 472 N PRO A 33 11.853 15.151 -3.964 1.00 0.00 N ATOM 473 CA PRO A 33 13.141 14.450 -3.943 1.00 0.00 C ATOM 474 C PRO A 33 13.680 14.271 -2.528 1.00 0.00 C ATOM 475 O PRO A 33 14.285 13.249 -2.208 1.00 0.00 O ATOM 476 CB PRO A 33 14.059 15.369 -4.752 1.00 0.00 C ATOM 477 CG PRO A 33 13.451 16.723 -4.620 1.00 0.00 C ATOM 478 CD PRO A 33 11.966 16.504 -4.534 1.00 0.00 C ATOM 0 HA PRO A 33 13.062 13.441 -4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.077 15.353 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.111 15.058 -5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.822 17.232 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.704 17.349 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.486 17.249 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.493 16.568 -5.514 1.00 0.00 H new ATOM 486 N GLY A 34 13.455 15.273 -1.682 1.00 0.00 N ATOM 487 CA GLY A 34 13.924 15.206 -0.311 1.00 0.00 C ATOM 488 C GLY A 34 12.802 15.370 0.695 1.00 0.00 C ATOM 489 O GLY A 34 12.752 16.362 1.422 1.00 0.00 O ATOM 0 H GLY A 34 12.956 16.130 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.419 14.249 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.671 15.983 -0.147 1.00 0.00 H new ATOM 493 N ILE A 35 11.899 14.396 0.735 1.00 0.00 N ATOM 494 CA ILE A 35 10.772 14.438 1.659 1.00 0.00 C ATOM 495 C ILE A 35 10.906 13.369 2.738 1.00 0.00 C ATOM 496 O ILE A 35 11.098 12.190 2.438 1.00 0.00 O ATOM 497 CB ILE A 35 9.434 14.244 0.923 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.265 14.367 1.903 1.00 0.00 C ATOM 499 CG2 ILE A 35 9.405 12.893 0.223 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.918 14.483 1.225 1.00 0.00 C ATOM 0 H ILE A 35 11.926 13.569 0.139 1.00 0.00 H new ATOM 0 HA ILE A 35 10.782 15.424 2.124 1.00 0.00 H new ATOM 0 HB ILE A 35 9.335 15.025 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.259 13.497 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.421 15.242 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.453 12.771 -0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.219 12.840 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.523 12.099 0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.137 14.567 1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.905 15.369 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.740 13.597 0.615 1.00 0.00 H new ATOM 512 N SER A 36 10.801 13.788 3.995 1.00 0.00 N ATOM 513 CA SER A 36 10.912 12.866 5.120 1.00 0.00 C ATOM 514 C SER A 36 9.549 12.284 5.481 1.00 0.00 C ATOM 515 O SER A 36 8.527 12.964 5.387 1.00 0.00 O ATOM 516 CB SER A 36 11.512 13.579 6.333 1.00 0.00 C ATOM 517 OG SER A 36 12.167 12.662 7.191 1.00 0.00 O ATOM 0 H SER A 36 10.639 14.760 4.260 1.00 0.00 H new ATOM 0 HA SER A 36 11.570 12.049 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.219 14.338 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.724 14.096 6.881 1.00 0.00 H new ATOM 0 HG SER A 36 12.543 13.143 7.958 1.00 0.00 H new ATOM 523 N ILE A 37 9.543 11.021 5.895 1.00 0.00 N ATOM 524 CA ILE A 37 8.307 10.347 6.272 1.00 0.00 C ATOM 525 C ILE A 37 7.353 11.303 6.980 1.00 0.00 C ATOM 526 O ILE A 37 6.139 11.236 6.793 1.00 0.00 O ATOM 527 CB ILE A 37 8.581 9.141 7.189 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.471 8.121 6.476 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.273 8.497 7.624 1.00 0.00 C ATOM 530 CD1 ILE A 37 10.241 7.225 7.420 1.00 0.00 C ATOM 0 H ILE A 37 10.380 10.444 5.978 1.00 0.00 H new ATOM 0 HA ILE A 37 7.846 9.995 5.349 1.00 0.00 H new ATOM 0 HB ILE A 37 9.104 9.493 8.078 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.852 7.503 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.176 8.651 5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.484 7.646 8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.671 9.226 8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.725 8.157 6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.850 6.528 6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.887 7.833 8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.542 6.667 8.043 1.00 0.00 H new ATOM 542 N GLY A 38 7.912 12.195 7.793 1.00 0.00 N ATOM 543 CA GLY A 38 7.097 13.153 8.515 1.00 0.00 C ATOM 544 C GLY A 38 6.141 13.903 7.607 1.00 0.00 C ATOM 545 O GLY A 38 4.941 13.965 7.874 1.00 0.00 O ATOM 0 H GLY A 38 8.915 12.271 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.528 12.633 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.745 13.867 9.023 1.00 0.00 H new ATOM 549 N ASP A 39 6.674 14.474 6.533 1.00 0.00 N ATOM 550 CA ASP A 39 5.861 15.223 5.582 1.00 0.00 C ATOM 551 C ASP A 39 4.761 14.344 4.996 1.00 0.00 C ATOM 552 O ASP A 39 3.574 14.609 5.183 1.00 0.00 O ATOM 553 CB ASP A 39 6.736 15.783 4.460 1.00 0.00 C ATOM 554 CG ASP A 39 6.203 17.090 3.907 1.00 0.00 C ATOM 555 OD1 ASP A 39 5.873 17.985 4.714 1.00 0.00 O ATOM 556 OD2 ASP A 39 6.117 17.219 2.668 1.00 0.00 O ATOM 0 H ASP A 39 7.666 14.433 6.299 1.00 0.00 H new ATOM 0 HA ASP A 39 5.394 16.051 6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.748 15.936 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.802 15.051 3.655 1.00 0.00 H new ATOM 561 N VAL A 40 5.164 13.296 4.285 1.00 0.00 N ATOM 562 CA VAL A 40 4.213 12.376 3.671 1.00 0.00 C ATOM 563 C VAL A 40 2.997 12.166 4.565 1.00 0.00 C ATOM 564 O VAL A 40 1.860 12.374 4.143 1.00 0.00 O ATOM 565 CB VAL A 40 4.862 11.011 3.377 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.834 10.040 2.817 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.032 11.173 2.417 1.00 0.00 C ATOM 0 H VAL A 40 6.143 13.062 4.120 1.00 0.00 H new ATOM 0 HA VAL A 40 3.896 12.829 2.732 1.00 0.00 H new ATOM 0 HB VAL A 40 5.243 10.601 4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.311 9.081 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.032 9.901 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.421 10.441 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.479 10.198 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.678 11.605 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.779 11.831 2.861 1.00 0.00 H new ATOM 577 N ALA A 41 3.244 11.753 5.804 1.00 0.00 N ATOM 578 CA ALA A 41 2.169 11.517 6.759 1.00 0.00 C ATOM 579 C ALA A 41 1.228 12.715 6.834 1.00 0.00 C ATOM 580 O ALA A 41 0.009 12.567 6.741 1.00 0.00 O ATOM 581 CB ALA A 41 2.743 11.209 8.134 1.00 0.00 C ATOM 0 H ALA A 41 4.179 11.575 6.170 1.00 0.00 H new ATOM 0 HA ALA A 41 1.594 10.657 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.929 11.035 8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.369 10.319 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.343 12.053 8.475 1.00 0.00 H new ATOM 587 N LYS A 42 1.800 13.902 7.002 1.00 0.00 N ATOM 588 CA LYS A 42 1.013 15.126 7.088 1.00 0.00 C ATOM 589 C LYS A 42 0.128 15.292 5.857 1.00 0.00 C ATOM 590 O LYS A 42 -1.099 15.305 5.959 1.00 0.00 O ATOM 591 CB LYS A 42 1.934 16.340 7.234 1.00 0.00 C ATOM 592 CG LYS A 42 1.191 17.662 7.309 1.00 0.00 C ATOM 593 CD LYS A 42 2.101 18.788 7.770 1.00 0.00 C ATOM 594 CE LYS A 42 2.200 18.838 9.287 1.00 0.00 C ATOM 595 NZ LYS A 42 3.427 19.550 9.739 1.00 0.00 N ATOM 0 H LYS A 42 2.807 14.042 7.081 1.00 0.00 H new ATOM 0 HA LYS A 42 0.373 15.055 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.538 16.221 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.622 16.367 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.778 17.904 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.349 17.569 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.095 18.652 7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.722 19.740 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.320 19.338 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.202 17.823 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.458 19.563 10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.268 19.059 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.414 20.526 9.381 1.00 0.00 H new ATOM 609 N LYS A 43 0.758 15.417 4.694 1.00 0.00 N ATOM 610 CA LYS A 43 0.028 15.579 3.442 1.00 0.00 C ATOM 611 C LYS A 43 -1.115 14.574 3.344 1.00 0.00 C ATOM 612 O LYS A 43 -2.269 14.949 3.134 1.00 0.00 O ATOM 613 CB LYS A 43 0.974 15.409 2.251 1.00 0.00 C ATOM 614 CG LYS A 43 1.627 16.705 1.802 1.00 0.00 C ATOM 615 CD LYS A 43 2.741 16.451 0.802 1.00 0.00 C ATOM 616 CE LYS A 43 2.198 16.293 -0.610 1.00 0.00 C ATOM 617 NZ LYS A 43 1.651 17.572 -1.140 1.00 0.00 N ATOM 0 H LYS A 43 1.773 15.409 4.592 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.393 16.584 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.752 14.693 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.419 14.983 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.876 17.356 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.028 17.231 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.451 17.277 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.288 15.552 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.992 15.938 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.416 15.534 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.622 17.533 -2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.689 17.717 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.259 18.361 -0.840 1.00 0.00 H new ATOM 631 N LEU A 44 -0.788 13.296 3.500 1.00 0.00 N ATOM 632 CA LEU A 44 -1.788 12.236 3.431 1.00 0.00 C ATOM 633 C LEU A 44 -3.029 12.605 4.238 1.00 0.00 C ATOM 634 O LEU A 44 -4.139 12.639 3.709 1.00 0.00 O ATOM 635 CB LEU A 44 -1.202 10.921 3.947 1.00 0.00 C ATOM 636 CG LEU A 44 -0.067 10.320 3.117 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.720 9.312 3.939 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.615 9.670 1.855 1.00 0.00 C ATOM 0 H LEU A 44 0.162 12.968 3.675 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.079 12.112 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.837 11.082 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.006 10.188 4.010 1.00 0.00 H new ATOM 0 HG LEU A 44 0.608 11.124 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.523 8.895 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.145 9.807 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.057 8.510 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.207 9.248 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.312 8.877 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.133 10.419 1.256 1.00 0.00 H new ATOM 650 N GLY A 45 -2.831 12.883 5.524 1.00 0.00 N ATOM 651 CA GLY A 45 -3.942 13.248 6.383 1.00 0.00 C ATOM 652 C GLY A 45 -4.878 14.245 5.728 1.00 0.00 C ATOM 653 O GLY A 45 -6.092 14.044 5.708 1.00 0.00 O ATOM 0 H GLY A 45 -1.921 12.862 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.501 12.351 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.556 13.671 7.310 1.00 0.00 H new ATOM 657 N GLU A 46 -4.313 15.323 5.194 1.00 0.00 N ATOM 658 CA GLU A 46 -5.107 16.355 4.539 1.00 0.00 C ATOM 659 C GLU A 46 -5.815 15.798 3.308 1.00 0.00 C ATOM 660 O GLU A 46 -7.039 15.868 3.198 1.00 0.00 O ATOM 661 CB GLU A 46 -4.219 17.536 4.139 1.00 0.00 C ATOM 662 CG GLU A 46 -4.103 18.602 5.214 1.00 0.00 C ATOM 663 CD GLU A 46 -5.290 19.546 5.230 1.00 0.00 C ATOM 664 OE1 GLU A 46 -6.438 19.058 5.189 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.069 20.774 5.283 1.00 0.00 O ATOM 0 H GLU A 46 -3.309 15.504 5.202 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.862 16.700 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.223 17.165 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.619 17.989 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.012 18.122 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.190 19.175 5.055 1.00 0.00 H new ATOM 672 N MET A 47 -5.036 15.244 2.384 1.00 0.00 N ATOM 673 CA MET A 47 -5.588 14.674 1.161 1.00 0.00 C ATOM 674 C MET A 47 -6.794 13.791 1.469 1.00 0.00 C ATOM 675 O MET A 47 -7.795 13.820 0.752 1.00 0.00 O ATOM 676 CB MET A 47 -4.521 13.861 0.425 1.00 0.00 C ATOM 677 CG MET A 47 -3.253 14.647 0.132 1.00 0.00 C ATOM 678 SD MET A 47 -2.372 14.030 -1.315 1.00 0.00 S ATOM 679 CE MET A 47 -1.960 12.371 -0.779 1.00 0.00 C ATOM 0 H MET A 47 -4.021 15.178 2.459 1.00 0.00 H new ATOM 0 HA MET A 47 -5.914 15.495 0.522 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.266 12.986 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.937 13.496 -0.514 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.508 15.696 -0.022 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.594 14.603 0.999 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.080 12.022 -1.320 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.751 12.376 0.291 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.798 11.704 -0.982 1.00 0.00 H new ATOM 689 N TRP A 48 -6.691 13.009 2.537 1.00 0.00 N ATOM 690 CA TRP A 48 -7.774 12.118 2.939 1.00 0.00 C ATOM 691 C TRP A 48 -9.019 12.911 3.318 1.00 0.00 C ATOM 692 O TRP A 48 -10.064 12.786 2.681 1.00 0.00 O ATOM 693 CB TRP A 48 -7.333 11.244 4.114 1.00 0.00 C ATOM 694 CG TRP A 48 -8.446 10.428 4.698 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.968 10.535 5.956 1.00 0.00 C ATOM 696 CD2 TRP A 48 -9.173 9.380 4.047 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.976 9.616 6.126 1.00 0.00 N ATOM 698 CE2 TRP A 48 -10.122 8.897 4.970 1.00 0.00 C ATOM 699 CE3 TRP A 48 -9.117 8.805 2.775 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -11.003 7.865 4.659 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.993 7.781 2.468 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.926 7.320 3.406 1.00 0.00 C ATOM 0 H TRP A 48 -5.869 12.973 3.140 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.018 11.478 2.091 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.538 10.576 3.782 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.911 11.880 4.892 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.637 11.238 6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.526 9.490 6.976 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.402 9.154 2.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.722 7.507 5.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.958 7.328 1.488 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.598 6.519 3.135 1.00 0.00 H new ATOM 713 N ASN A 49 -8.901 13.729 4.359 1.00 0.00 N ATOM 714 CA ASN A 49 -10.018 14.542 4.824 1.00 0.00 C ATOM 715 C ASN A 49 -10.690 15.260 3.657 1.00 0.00 C ATOM 716 O ASN A 49 -11.903 15.462 3.654 1.00 0.00 O ATOM 717 CB ASN A 49 -9.538 15.564 5.857 1.00 0.00 C ATOM 718 CG ASN A 49 -10.687 16.217 6.601 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.852 16.042 6.243 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.362 16.975 7.642 1.00 0.00 N ATOM 0 H ASN A 49 -8.042 13.846 4.897 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.748 13.880 5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.879 15.072 6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.949 16.333 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.092 17.441 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.383 17.091 7.902 1.00 0.00 H new ATOM 727 N ASN A 50 -9.891 15.643 2.666 1.00 0.00 N ATOM 728 CA ASN A 50 -10.408 16.339 1.493 1.00 0.00 C ATOM 729 C ASN A 50 -11.393 15.459 0.729 1.00 0.00 C ATOM 730 O ASN A 50 -12.452 15.921 0.301 1.00 0.00 O ATOM 731 CB ASN A 50 -9.258 16.754 0.573 1.00 0.00 C ATOM 732 CG ASN A 50 -8.715 18.129 0.909 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.212 19.142 0.417 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.690 18.170 1.752 1.00 0.00 N ATOM 0 H ASN A 50 -8.884 15.483 2.652 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.933 17.232 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.455 16.021 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.603 16.745 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.283 19.067 2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.310 17.305 2.135 1.00 0.00 H new ATOM 741 N LEU A 51 -11.039 14.190 0.563 1.00 0.00 N ATOM 742 CA LEU A 51 -11.891 13.244 -0.148 1.00 0.00 C ATOM 743 C LEU A 51 -13.329 13.320 0.357 1.00 0.00 C ATOM 744 O LEU A 51 -13.579 13.746 1.484 1.00 0.00 O ATOM 745 CB LEU A 51 -11.355 11.821 0.015 1.00 0.00 C ATOM 746 CG LEU A 51 -10.085 11.488 -0.768 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.420 10.242 -0.202 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.402 11.302 -2.245 1.00 0.00 C ATOM 0 H LEU A 51 -10.167 13.792 0.911 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.882 13.509 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.162 11.646 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.137 11.123 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.391 12.322 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.518 10.020 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.157 10.412 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.108 9.399 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.486 11.066 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.115 10.486 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.832 12.221 -2.643 1.00 0.00 H new ATOM 760 N ASN A 52 -14.269 12.901 -0.483 1.00 0.00 N ATOM 761 CA ASN A 52 -15.682 12.920 -0.121 1.00 0.00 C ATOM 762 C ASN A 52 -16.160 11.526 0.276 1.00 0.00 C ATOM 763 O ASN A 52 -15.546 10.522 -0.085 1.00 0.00 O ATOM 764 CB ASN A 52 -16.522 13.447 -1.285 1.00 0.00 C ATOM 765 CG ASN A 52 -16.334 14.936 -1.506 1.00 0.00 C ATOM 766 OD1 ASN A 52 -16.382 15.725 -0.562 1.00 0.00 O ATOM 767 ND2 ASN A 52 -16.120 15.326 -2.757 1.00 0.00 N ATOM 0 H ASN A 52 -14.078 12.544 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.803 13.584 0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.254 12.911 -2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.575 13.241 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.987 16.315 -2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.088 14.636 -3.508 1.00 0.00 H new ATOM 774 N ASP A 53 -17.259 11.474 1.020 1.00 0.00 N ATOM 775 CA ASP A 53 -17.821 10.204 1.465 1.00 0.00 C ATOM 776 C ASP A 53 -18.023 9.257 0.286 1.00 0.00 C ATOM 777 O ASP A 53 -18.043 8.037 0.453 1.00 0.00 O ATOM 778 CB ASP A 53 -19.152 10.435 2.183 1.00 0.00 C ATOM 779 CG ASP A 53 -19.988 9.173 2.272 1.00 0.00 C ATOM 780 OD1 ASP A 53 -20.654 8.832 1.272 1.00 0.00 O ATOM 781 OD2 ASP A 53 -19.978 8.528 3.341 1.00 0.00 O ATOM 0 H ASP A 53 -17.778 12.296 1.328 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.117 9.746 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.959 10.811 3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.716 11.205 1.657 1.00 0.00 H new ATOM 786 N SER A 54 -18.174 9.826 -0.905 1.00 0.00 N ATOM 787 CA SER A 54 -18.380 9.033 -2.111 1.00 0.00 C ATOM 788 C SER A 54 -17.053 8.497 -2.642 1.00 0.00 C ATOM 789 O SER A 54 -17.000 7.420 -3.235 1.00 0.00 O ATOM 790 CB SER A 54 -19.071 9.872 -3.188 1.00 0.00 C ATOM 791 OG SER A 54 -19.701 9.047 -4.152 1.00 0.00 O ATOM 0 H SER A 54 -18.158 10.834 -1.061 1.00 0.00 H new ATOM 0 HA SER A 54 -19.018 8.187 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.811 10.526 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.339 10.515 -3.678 1.00 0.00 H new ATOM 0 HG SER A 54 -20.136 9.607 -4.828 1.00 0.00 H new ATOM 797 N GLU A 55 -15.985 9.258 -2.423 1.00 0.00 N ATOM 798 CA GLU A 55 -14.659 8.860 -2.879 1.00 0.00 C ATOM 799 C GLU A 55 -14.062 7.798 -1.959 1.00 0.00 C ATOM 800 O GLU A 55 -13.335 6.911 -2.406 1.00 0.00 O ATOM 801 CB GLU A 55 -13.731 10.075 -2.942 1.00 0.00 C ATOM 802 CG GLU A 55 -13.986 10.974 -4.141 1.00 0.00 C ATOM 803 CD GLU A 55 -13.540 10.345 -5.447 1.00 0.00 C ATOM 804 OE1 GLU A 55 -14.324 9.566 -6.027 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.408 10.633 -5.888 1.00 0.00 O ATOM 0 H GLU A 55 -16.012 10.152 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.759 8.436 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.848 10.659 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.697 9.731 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.050 11.205 -4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.462 11.919 -4.000 1.00 0.00 H new ATOM 812 N LYS A 56 -14.375 7.896 -0.672 1.00 0.00 N ATOM 813 CA LYS A 56 -13.872 6.946 0.313 1.00 0.00 C ATOM 814 C LYS A 56 -14.665 5.644 0.266 1.00 0.00 C ATOM 815 O LYS A 56 -14.186 4.599 0.707 1.00 0.00 O ATOM 816 CB LYS A 56 -13.944 7.549 1.717 1.00 0.00 C ATOM 817 CG LYS A 56 -13.329 8.934 1.816 1.00 0.00 C ATOM 818 CD LYS A 56 -13.446 9.497 3.223 1.00 0.00 C ATOM 819 CE LYS A 56 -12.465 10.637 3.451 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.748 11.368 4.716 1.00 0.00 N ATOM 0 H LYS A 56 -14.975 8.625 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.832 6.727 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.987 7.601 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.436 6.884 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.279 8.888 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.824 9.604 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.463 9.852 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.261 8.706 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.450 10.242 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.514 11.331 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.058 12.137 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.708 11.767 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.677 10.712 5.520 1.00 0.00 H new ATOM 834 N GLN A 57 -15.879 5.714 -0.271 1.00 0.00 N ATOM 835 CA GLN A 57 -16.737 4.540 -0.375 1.00 0.00 C ATOM 836 C GLN A 57 -15.949 3.332 -0.872 1.00 0.00 C ATOM 837 O GLN A 57 -15.875 2.295 -0.214 1.00 0.00 O ATOM 838 CB GLN A 57 -17.910 4.821 -1.315 1.00 0.00 C ATOM 839 CG GLN A 57 -19.157 5.318 -0.601 1.00 0.00 C ATOM 840 CD GLN A 57 -19.951 4.195 0.036 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.790 3.567 -0.612 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.692 3.935 1.312 1.00 0.00 N ATOM 0 H GLN A 57 -16.290 6.571 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 57 -17.124 4.314 0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.604 5.563 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.153 3.910 -1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.869 6.036 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.791 5.848 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.989 4.480 1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -20.196 3.190 1.793 1.00 0.00 H new ATOM 851 N PRO A 58 -15.346 3.468 -2.063 1.00 0.00 N ATOM 852 CA PRO A 58 -14.553 2.398 -2.675 1.00 0.00 C ATOM 853 C PRO A 58 -13.245 2.148 -1.931 1.00 0.00 C ATOM 854 O PRO A 58 -12.537 1.181 -2.210 1.00 0.00 O ATOM 855 CB PRO A 58 -14.274 2.926 -4.085 1.00 0.00 C ATOM 856 CG PRO A 58 -14.355 4.408 -3.957 1.00 0.00 C ATOM 857 CD PRO A 58 -15.392 4.677 -2.903 1.00 0.00 C ATOM 0 HA PRO A 58 -15.076 1.442 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.292 2.612 -4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -15.005 2.550 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.391 4.828 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.635 4.867 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -15.159 5.574 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.380 4.826 -3.340 1.00 0.00 H new ATOM 865 N TYR A 59 -12.932 3.025 -0.984 1.00 0.00 N ATOM 866 CA TYR A 59 -11.708 2.900 -0.202 1.00 0.00 C ATOM 867 C TYR A 59 -11.975 2.178 1.115 1.00 0.00 C ATOM 868 O TYR A 59 -11.081 1.551 1.684 1.00 0.00 O ATOM 869 CB TYR A 59 -11.110 4.281 0.073 1.00 0.00 C ATOM 870 CG TYR A 59 -10.267 4.812 -1.064 1.00 0.00 C ATOM 871 CD1 TYR A 59 -9.156 4.112 -1.518 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.581 6.015 -1.685 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.383 4.594 -2.556 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.814 6.505 -2.724 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.716 5.791 -3.156 1.00 0.00 C ATOM 876 OH TYR A 59 -7.948 6.274 -4.191 1.00 0.00 O ATOM 0 H TYR A 59 -13.509 3.830 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.996 2.312 -0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.918 4.984 0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.499 4.230 0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.892 3.175 -1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.440 6.577 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.523 4.037 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.073 7.442 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.037 5.922 -4.114 1.00 0.00 H new ATOM 886 N ILE A 60 -13.211 2.271 1.593 1.00 0.00 N ATOM 887 CA ILE A 60 -13.597 1.626 2.842 1.00 0.00 C ATOM 888 C ILE A 60 -13.992 0.171 2.610 1.00 0.00 C ATOM 889 O ILE A 60 -13.688 -0.704 3.422 1.00 0.00 O ATOM 890 CB ILE A 60 -14.769 2.362 3.517 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.390 3.818 3.799 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.169 1.655 4.804 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.581 4.710 4.069 1.00 0.00 C ATOM 0 H ILE A 60 -13.962 2.787 1.135 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.728 1.664 3.499 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.623 2.352 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.719 3.851 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.836 4.213 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.999 2.188 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.475 0.633 4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.321 1.637 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.238 5.727 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.242 4.707 3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -16.123 4.340 4.939 1.00 0.00 H new ATOM 905 N THR A 61 -14.670 -0.082 1.495 1.00 0.00 N ATOM 906 CA THR A 61 -15.106 -1.430 1.155 1.00 0.00 C ATOM 907 C THR A 61 -13.920 -2.384 1.058 1.00 0.00 C ATOM 908 O THR A 61 -13.964 -3.500 1.574 1.00 0.00 O ATOM 909 CB THR A 61 -15.878 -1.452 -0.179 1.00 0.00 C ATOM 910 OG1 THR A 61 -17.007 -0.574 -0.105 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.344 -2.861 -0.511 1.00 0.00 C ATOM 0 H THR A 61 -14.929 0.630 0.812 1.00 0.00 H new ATOM 0 HA THR A 61 -15.769 -1.758 1.956 1.00 0.00 H new ATOM 0 HB THR A 61 -15.207 -1.114 -0.969 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.699 0.356 -0.118 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.886 -2.852 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.480 -3.520 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.001 -3.223 0.280 1.00 0.00 H new ATOM 919 N LYS A 62 -12.860 -1.936 0.393 1.00 0.00 N ATOM 920 CA LYS A 62 -11.661 -2.749 0.230 1.00 0.00 C ATOM 921 C LYS A 62 -11.130 -3.214 1.582 1.00 0.00 C ATOM 922 O LYS A 62 -10.768 -4.378 1.750 1.00 0.00 O ATOM 923 CB LYS A 62 -10.579 -1.955 -0.508 1.00 0.00 C ATOM 924 CG LYS A 62 -9.506 -2.828 -1.135 1.00 0.00 C ATOM 925 CD LYS A 62 -8.211 -2.060 -1.339 1.00 0.00 C ATOM 926 CE LYS A 62 -7.041 -2.997 -1.592 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.640 -3.731 -0.360 1.00 0.00 N ATOM 0 H LYS A 62 -12.807 -1.015 -0.041 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.925 -3.628 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.048 -1.355 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.110 -1.261 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.321 -3.693 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.859 -3.208 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.321 -1.377 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.006 -1.450 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.310 -3.712 -2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.192 -2.425 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.440 -4.724 -0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.788 -3.293 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.412 -3.690 0.335 1.00 0.00 H new ATOM 941 N ALA A 63 -11.090 -2.298 2.544 1.00 0.00 N ATOM 942 CA ALA A 63 -10.608 -2.616 3.882 1.00 0.00 C ATOM 943 C ALA A 63 -11.427 -3.740 4.508 1.00 0.00 C ATOM 944 O ALA A 63 -10.875 -4.682 5.075 1.00 0.00 O ATOM 945 CB ALA A 63 -10.646 -1.378 4.765 1.00 0.00 C ATOM 0 H ALA A 63 -11.386 -1.330 2.421 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.576 -2.957 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.283 -1.630 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.012 -0.604 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.670 -1.012 4.834 1.00 0.00 H new ATOM 951 N ALA A 64 -12.748 -3.633 4.402 1.00 0.00 N ATOM 952 CA ALA A 64 -13.643 -4.641 4.956 1.00 0.00 C ATOM 953 C ALA A 64 -13.245 -6.040 4.499 1.00 0.00 C ATOM 954 O ALA A 64 -13.422 -7.017 5.227 1.00 0.00 O ATOM 955 CB ALA A 64 -15.082 -4.344 4.561 1.00 0.00 C ATOM 0 H ALA A 64 -13.221 -2.858 3.937 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.561 -4.605 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.739 -5.105 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.369 -3.365 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.170 -4.349 3.475 1.00 0.00 H new ATOM 961 N LYS A 65 -12.706 -6.131 3.288 1.00 0.00 N ATOM 962 CA LYS A 65 -12.282 -7.410 2.732 1.00 0.00 C ATOM 963 C LYS A 65 -11.015 -7.909 3.420 1.00 0.00 C ATOM 964 O LYS A 65 -10.922 -9.077 3.801 1.00 0.00 O ATOM 965 CB LYS A 65 -12.040 -7.281 1.227 1.00 0.00 C ATOM 966 CG LYS A 65 -13.318 -7.212 0.409 1.00 0.00 C ATOM 967 CD LYS A 65 -13.121 -7.787 -0.983 1.00 0.00 C ATOM 968 CE LYS A 65 -14.202 -7.311 -1.941 1.00 0.00 C ATOM 969 NZ LYS A 65 -14.321 -8.201 -3.129 1.00 0.00 N ATOM 0 H LYS A 65 -12.552 -5.333 2.672 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.078 -8.134 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.449 -6.385 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.447 -8.131 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.109 -7.760 0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.646 -6.175 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.142 -7.495 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.132 -8.876 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.158 -7.272 -1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.976 -6.296 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.068 -7.843 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.416 -8.219 -3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.562 -9.164 -2.819 1.00 0.00 H new ATOM 983 N LEU A 66 -10.043 -7.017 3.578 1.00 0.00 N ATOM 984 CA LEU A 66 -8.782 -7.367 4.223 1.00 0.00 C ATOM 985 C LEU A 66 -9.021 -7.927 5.621 1.00 0.00 C ATOM 986 O LEU A 66 -8.311 -8.826 6.072 1.00 0.00 O ATOM 987 CB LEU A 66 -7.870 -6.141 4.301 1.00 0.00 C ATOM 988 CG LEU A 66 -7.032 -5.847 3.057 1.00 0.00 C ATOM 989 CD1 LEU A 66 -5.769 -6.695 3.051 1.00 0.00 C ATOM 990 CD2 LEU A 66 -7.847 -6.092 1.795 1.00 0.00 C ATOM 0 H LEU A 66 -10.104 -6.047 3.269 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.297 -8.137 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.486 -5.268 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.195 -6.269 5.147 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.740 -4.797 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.185 -6.472 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.176 -6.471 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.040 -7.751 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.235 -5.878 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.169 -7.133 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.721 -5.441 1.794 1.00 0.00 H new ATOM 1002 N LYS A 67 -10.028 -7.391 6.303 1.00 0.00 N ATOM 1003 CA LYS A 67 -10.365 -7.839 7.649 1.00 0.00 C ATOM 1004 C LYS A 67 -10.818 -9.296 7.640 1.00 0.00 C ATOM 1005 O LYS A 67 -10.380 -10.096 8.466 1.00 0.00 O ATOM 1006 CB LYS A 67 -11.465 -6.956 8.242 1.00 0.00 C ATOM 1007 CG LYS A 67 -12.063 -7.507 9.525 1.00 0.00 C ATOM 1008 CD LYS A 67 -13.411 -6.875 9.829 1.00 0.00 C ATOM 1009 CE LYS A 67 -14.533 -7.559 9.063 1.00 0.00 C ATOM 1010 NZ LYS A 67 -15.856 -6.935 9.344 1.00 0.00 N ATOM 0 H LYS A 67 -10.625 -6.645 5.945 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.470 -7.759 8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.057 -5.964 8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.258 -6.834 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.178 -8.588 9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.379 -7.324 10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.610 -6.936 10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.385 -5.817 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.327 -7.508 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.565 -8.615 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.595 -7.429 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.065 -7.006 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.834 -5.934 9.064 1.00 0.00 H new ATOM 1024 N GLU A 68 -11.696 -9.632 6.701 1.00 0.00 N ATOM 1025 CA GLU A 68 -12.207 -10.993 6.586 1.00 0.00 C ATOM 1026 C GLU A 68 -11.078 -12.011 6.720 1.00 0.00 C ATOM 1027 O GLU A 68 -11.160 -12.945 7.519 1.00 0.00 O ATOM 1028 CB GLU A 68 -12.921 -11.182 5.246 1.00 0.00 C ATOM 1029 CG GLU A 68 -14.138 -10.288 5.074 1.00 0.00 C ATOM 1030 CD GLU A 68 -14.881 -10.557 3.779 1.00 0.00 C ATOM 1031 OE1 GLU A 68 -14.292 -10.335 2.701 1.00 0.00 O ATOM 1032 OE2 GLU A 68 -16.051 -10.990 3.845 1.00 0.00 O ATOM 0 H GLU A 68 -12.068 -8.981 6.009 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.919 -11.156 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.217 -10.983 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.229 -12.223 5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.815 -10.437 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.824 -9.244 5.098 1.00 0.00 H new ATOM 1039 N LYS A 69 -10.024 -11.824 5.933 1.00 0.00 N ATOM 1040 CA LYS A 69 -8.877 -12.724 5.963 1.00 0.00 C ATOM 1041 C LYS A 69 -8.174 -12.665 7.316 1.00 0.00 C ATOM 1042 O LYS A 69 -7.794 -13.694 7.874 1.00 0.00 O ATOM 1043 CB LYS A 69 -7.892 -12.364 4.848 1.00 0.00 C ATOM 1044 CG LYS A 69 -8.147 -13.107 3.548 1.00 0.00 C ATOM 1045 CD LYS A 69 -7.744 -12.274 2.342 1.00 0.00 C ATOM 1046 CE LYS A 69 -6.293 -12.520 1.956 1.00 0.00 C ATOM 1047 NZ LYS A 69 -5.880 -11.686 0.794 1.00 0.00 N ATOM 0 H LYS A 69 -9.940 -11.057 5.266 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.239 -13.740 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.945 -11.292 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.878 -12.579 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.589 -14.043 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.204 -13.365 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.392 -12.515 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.889 -11.217 2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.649 -12.301 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.155 -13.574 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.885 -11.882 0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.478 -11.913 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.987 -10.680 1.033 1.00 0.00 H new ATOM 1061 N TYR A 70 -8.006 -11.455 7.838 1.00 0.00 N ATOM 1062 CA TYR A 70 -7.349 -11.262 9.124 1.00 0.00 C ATOM 1063 C TYR A 70 -8.043 -12.069 10.217 1.00 0.00 C ATOM 1064 O TYR A 70 -7.390 -12.670 11.069 1.00 0.00 O ATOM 1065 CB TYR A 70 -7.338 -9.779 9.498 1.00 0.00 C ATOM 1066 CG TYR A 70 -6.583 -9.482 10.774 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -5.195 -9.413 10.783 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -7.257 -9.270 11.970 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -4.501 -9.142 11.947 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -6.571 -8.997 13.138 1.00 0.00 C ATOM 1071 CZ TYR A 70 -5.193 -8.935 13.121 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.506 -8.665 14.283 1.00 0.00 O ATOM 0 H TYR A 70 -8.316 -10.593 7.389 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.321 -11.614 9.034 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.893 -9.210 8.682 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.366 -9.432 9.605 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.649 -9.574 9.865 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.336 -9.319 11.987 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.422 -9.093 11.937 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.111 -8.833 14.059 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.142 -8.544 15.019 1.00 0.00 H new ATOM 1082 N GLU A 71 -9.372 -12.077 10.184 1.00 0.00 N ATOM 1083 CA GLU A 71 -10.156 -12.809 11.172 1.00 0.00 C ATOM 1084 C GLU A 71 -9.814 -14.296 11.143 1.00 0.00 C ATOM 1085 O GLU A 71 -9.733 -14.947 12.186 1.00 0.00 O ATOM 1086 CB GLU A 71 -11.651 -12.614 10.916 1.00 0.00 C ATOM 1087 CG GLU A 71 -12.185 -11.281 11.415 1.00 0.00 C ATOM 1088 CD GLU A 71 -13.700 -11.234 11.445 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -14.297 -11.915 12.306 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -14.289 -10.518 10.609 1.00 0.00 O ATOM 0 H GLU A 71 -9.928 -11.585 9.484 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.910 -12.415 12.158 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.841 -12.695 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.202 -13.421 11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.799 -11.091 12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.813 -10.482 10.774 1.00 0.00 H new ATOM 1097 N LYS A 72 -9.615 -14.829 9.942 1.00 0.00 N ATOM 1098 CA LYS A 72 -9.282 -16.238 9.775 1.00 0.00 C ATOM 1099 C LYS A 72 -7.954 -16.567 10.451 1.00 0.00 C ATOM 1100 O LYS A 72 -7.880 -17.462 11.293 1.00 0.00 O ATOM 1101 CB LYS A 72 -9.212 -16.594 8.289 1.00 0.00 C ATOM 1102 CG LYS A 72 -10.540 -17.048 7.709 1.00 0.00 C ATOM 1103 CD LYS A 72 -10.401 -17.462 6.253 1.00 0.00 C ATOM 1104 CE LYS A 72 -10.615 -16.284 5.315 1.00 0.00 C ATOM 1105 NZ LYS A 72 -10.752 -16.721 3.898 1.00 0.00 N ATOM 0 H LYS A 72 -9.679 -14.305 9.069 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.066 -16.830 10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.860 -15.726 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.474 -17.384 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.925 -17.885 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.268 -16.241 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.410 -17.885 6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.124 -18.245 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.510 -15.739 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.776 -15.593 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.896 -15.889 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.888 -17.219 3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.568 -17.360 3.809 1.00 0.00 H new ATOM 1119 N ASP A 73 -6.909 -15.837 10.077 1.00 0.00 N ATOM 1120 CA ASP A 73 -5.584 -16.049 10.649 1.00 0.00 C ATOM 1121 C ASP A 73 -5.617 -15.900 12.166 1.00 0.00 C ATOM 1122 O ASP A 73 -5.013 -16.691 12.892 1.00 0.00 O ATOM 1123 CB ASP A 73 -4.582 -15.062 10.048 1.00 0.00 C ATOM 1124 CG ASP A 73 -4.056 -15.518 8.701 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -4.873 -15.949 7.860 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -2.828 -15.443 8.488 1.00 0.00 O ATOM 0 H ASP A 73 -6.954 -15.093 9.380 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.270 -17.065 10.409 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.058 -14.088 9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.747 -14.933 10.736 1.00 0.00 H new ATOM 1131 N VAL A 74 -6.326 -14.880 12.641 1.00 0.00 N ATOM 1132 CA VAL A 74 -6.437 -14.627 14.072 1.00 0.00 C ATOM 1133 C VAL A 74 -7.140 -15.780 14.781 1.00 0.00 C ATOM 1134 O VAL A 74 -6.786 -16.139 15.903 1.00 0.00 O ATOM 1135 CB VAL A 74 -7.206 -13.322 14.353 1.00 0.00 C ATOM 1136 CG1 VAL A 74 -7.460 -13.162 15.844 1.00 0.00 C ATOM 1137 CG2 VAL A 74 -6.443 -12.126 13.803 1.00 0.00 C ATOM 0 H VAL A 74 -6.832 -14.216 12.055 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.421 -14.532 14.456 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.171 -13.373 13.848 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.004 -12.235 16.023 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.050 -14.004 16.205 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.508 -13.132 16.374 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.000 -11.212 14.010 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.464 -12.069 14.278 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.318 -12.238 12.726 1.00 0.00 H new ATOM 1147 N ALA A 75 -8.137 -16.356 14.117 1.00 0.00 N ATOM 1148 CA ALA A 75 -8.887 -17.470 14.682 1.00 0.00 C ATOM 1149 C ALA A 75 -8.000 -18.699 14.854 1.00 0.00 C ATOM 1150 O ALA A 75 -7.962 -19.303 15.926 1.00 0.00 O ATOM 1151 CB ALA A 75 -10.084 -17.800 13.803 1.00 0.00 C ATOM 0 H ALA A 75 -8.444 -16.069 13.187 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.245 -17.172 15.668 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.635 -18.634 14.237 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.737 -16.930 13.735 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.739 -18.073 12.806 1.00 0.00 H new ATOM 1157 N ASP A 76 -7.290 -19.063 13.793 1.00 0.00 N ATOM 1158 CA ASP A 76 -6.403 -20.220 13.827 1.00 0.00 C ATOM 1159 C ASP A 76 -5.256 -19.997 14.808 1.00 0.00 C ATOM 1160 O ASP A 76 -4.936 -20.871 15.614 1.00 0.00 O ATOM 1161 CB ASP A 76 -5.847 -20.504 12.431 1.00 0.00 C ATOM 1162 CG ASP A 76 -5.193 -21.869 12.335 1.00 0.00 C ATOM 1163 OD1 ASP A 76 -4.414 -22.219 13.246 1.00 0.00 O ATOM 1164 OD2 ASP A 76 -5.461 -22.586 11.349 1.00 0.00 O ATOM 0 H ASP A 76 -7.311 -18.574 12.898 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.982 -21.081 14.162 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.654 -20.439 11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.119 -19.736 12.170 1.00 0.00 H new ATOM 1169 N TYR A 77 -4.641 -18.821 14.735 1.00 0.00 N ATOM 1170 CA TYR A 77 -3.528 -18.485 15.614 1.00 0.00 C ATOM 1171 C TYR A 77 -3.859 -18.822 17.065 1.00 0.00 C ATOM 1172 O TYR A 77 -3.132 -19.567 17.723 1.00 0.00 O ATOM 1173 CB TYR A 77 -3.184 -16.999 15.489 1.00 0.00 C ATOM 1174 CG TYR A 77 -2.261 -16.499 16.577 1.00 0.00 C ATOM 1175 CD1 TYR A 77 -2.739 -16.235 17.855 1.00 0.00 C ATOM 1176 CD2 TYR A 77 -0.910 -16.290 16.327 1.00 0.00 C ATOM 1177 CE1 TYR A 77 -1.899 -15.777 18.851 1.00 0.00 C ATOM 1178 CE2 TYR A 77 -0.063 -15.833 17.318 1.00 0.00 C ATOM 1179 CZ TYR A 77 -0.562 -15.578 18.578 1.00 0.00 C ATOM 1180 OH TYR A 77 0.278 -15.123 19.569 1.00 0.00 O ATOM 0 H TYR A 77 -4.895 -18.085 14.076 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.665 -19.078 15.310 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.718 -16.823 14.519 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.106 -16.418 15.510 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.785 -16.391 18.073 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.516 -16.488 15.341 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.287 -15.576 19.839 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.985 -15.676 17.107 1.00 0.00 H new ATOM 0 HH TYR A 77 1.187 -15.037 19.213 1.00 0.00 H new ATOM 1190 N LYS A 78 -4.961 -18.268 17.557 1.00 0.00 N ATOM 1191 CA LYS A 78 -5.392 -18.509 18.929 1.00 0.00 C ATOM 1192 C LYS A 78 -5.812 -19.963 19.120 1.00 0.00 C ATOM 1193 O LYS A 78 -5.130 -20.732 19.798 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.553 -17.581 19.292 1.00 0.00 C ATOM 1195 CG LYS A 78 -6.168 -16.112 19.331 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.256 -15.267 19.973 1.00 0.00 C ATOM 1197 CE LYS A 78 -8.412 -15.026 19.015 1.00 0.00 C ATOM 1198 NZ LYS A 78 -9.356 -13.996 19.532 1.00 0.00 N ATOM 0 H LYS A 78 -5.573 -17.648 17.026 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.549 -18.302 19.589 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.357 -17.718 18.569 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.948 -17.871 20.266 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.238 -15.993 19.887 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.981 -15.757 18.318 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.623 -15.765 20.870 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.838 -14.311 20.288 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.022 -14.708 18.048 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.948 -15.961 18.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.130 -13.861 18.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.748 -14.310 20.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.850 -13.097 19.665 1.00 0.00 H new ATOM 1212 N SER A 79 -6.937 -20.334 18.517 1.00 0.00 N ATOM 1213 CA SER A 79 -7.448 -21.696 18.622 1.00 0.00 C ATOM 1214 C SER A 79 -7.627 -22.097 20.083 1.00 0.00 C ATOM 1215 O SER A 79 -7.453 -23.261 20.446 1.00 0.00 O ATOM 1216 CB SER A 79 -6.500 -22.674 17.925 1.00 0.00 C ATOM 1217 OG SER A 79 -6.832 -22.816 16.554 1.00 0.00 O ATOM 0 H SER A 79 -7.512 -19.710 17.951 1.00 0.00 H new ATOM 0 HA SER A 79 -8.421 -21.732 18.131 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.473 -22.320 18.019 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.549 -23.646 18.417 1.00 0.00 H new ATOM 0 HG SER A 79 -6.289 -22.199 16.020 1.00 0.00 H new ATOM 1223 N LYS A 80 -7.975 -21.125 20.919 1.00 0.00 N ATOM 1224 CA LYS A 80 -8.180 -21.374 22.341 1.00 0.00 C ATOM 1225 C LYS A 80 -9.489 -22.120 22.580 1.00 0.00 C ATOM 1226 O LYS A 80 -10.517 -21.794 21.988 1.00 0.00 O ATOM 1227 CB LYS A 80 -8.184 -20.054 23.115 1.00 0.00 C ATOM 1228 CG LYS A 80 -6.809 -19.631 23.603 1.00 0.00 C ATOM 1229 CD LYS A 80 -6.093 -18.772 22.575 1.00 0.00 C ATOM 1230 CE LYS A 80 -4.809 -18.181 23.139 1.00 0.00 C ATOM 1231 NZ LYS A 80 -4.120 -17.307 22.150 1.00 0.00 N ATOM 0 H LYS A 80 -8.121 -20.156 20.636 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.358 -21.995 22.698 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.591 -19.270 22.477 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.852 -20.147 23.972 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.908 -19.077 24.536 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.211 -20.516 23.819 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.863 -19.372 21.695 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.752 -17.968 22.249 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.038 -17.605 24.036 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.140 -18.987 23.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.404 -16.730 22.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.658 -17.896 21.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.816 -16.683 21.694 1.00 0.00 H new ATOM 1245 N GLY A 81 -9.443 -23.122 23.452 1.00 0.00 N ATOM 1246 CA GLY A 81 -10.632 -23.898 23.754 1.00 0.00 C ATOM 1247 C GLY A 81 -10.309 -25.212 24.436 1.00 0.00 C ATOM 1248 O GLY A 81 -9.289 -25.836 24.144 1.00 0.00 O ATOM 0 H GLY A 81 -8.604 -23.411 23.955 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.291 -23.312 24.395 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.177 -24.096 22.831 1.00 0.00 H new TER 1252 GLY A 81