USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 447 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 56 ASN : amide:sc= -2.66! K(o=-2.6!,f=-0.81) USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0956 USER MOD Set 2.1: A 4 THR OG1 : rot 150:sc= 0.649 USER MOD Set 2.2: A 39 GLN : amide:sc= 1.11 K(o=1.8,f=1.2) USER MOD Single : A 1 SER N :NH3+ -113:sc= 0.444 (180deg=0.00964) USER MOD Single : A 1 SER OG : rot 180:sc= 0.171 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 8 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5.3!) USER MOD Single : A 9 THR OG1 : rot -160:sc= -0.436 USER MOD Single : A 11 SER OG : rot -65:sc= 0.261 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 1.62 (180deg=-0.0165) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 1.12 K(o=1.1,f=-0.026) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 90:sc= 0.0805 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0664 USER MOD Single : A 28 SER OG : rot -1:sc= 1.07 USER MOD Single : A 38 SER OG : rot 90:sc= 0.114 USER MOD Single : A 43 SER OG : rot 92:sc= 0.125 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00416 USER MOD Single : A 53 ASN : amide:sc=-0.00801 K(o=-0.008,f=-1.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 62 ASN : amide:sc= 0.0671 K(o=0.067,f=-4.1!) USER MOD Single : A 65 ASN : amide:sc= -1.5! C(o=-1.5!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.662 13.536 -2.058 1.00 0.00 N ATOM 2 CA SER A 1 -2.056 13.855 -3.366 1.00 0.00 C ATOM 3 C SER A 1 -0.897 12.903 -3.646 1.00 0.00 C ATOM 4 O SER A 1 -0.756 11.881 -2.974 1.00 0.00 O ATOM 5 CB SER A 1 -1.572 15.308 -3.364 1.00 0.00 C ATOM 6 OG SER A 1 -2.287 16.081 -2.411 1.00 0.00 O ATOM 0 H1 SER A 1 -3.625 13.172 -2.201 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.088 12.816 -1.576 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.701 14.396 -1.474 1.00 0.00 H new ATOM 0 HA SER A 1 -2.800 13.733 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.506 15.340 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.700 15.739 -4.357 1.00 0.00 H new ATOM 0 HG SER A 1 -1.959 17.004 -2.427 1.00 0.00 H new ATOM 14 N ALA A 2 -0.065 13.237 -4.624 1.00 0.00 N ATOM 15 CA ALA A 2 1.080 12.405 -4.954 1.00 0.00 C ATOM 16 C ALA A 2 2.208 12.639 -3.963 1.00 0.00 C ATOM 17 O ALA A 2 2.900 13.658 -4.019 1.00 0.00 O ATOM 18 CB ALA A 2 1.554 12.680 -6.372 1.00 0.00 C ATOM 0 H ALA A 2 -0.162 14.074 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 2 0.774 11.361 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.412 12.047 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.748 12.464 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.842 13.727 -6.463 1.00 0.00 H new ATOM 24 N THR A 3 2.371 11.705 -3.044 1.00 0.00 N ATOM 25 CA THR A 3 3.403 11.803 -2.031 1.00 0.00 C ATOM 26 C THR A 3 4.603 10.942 -2.400 1.00 0.00 C ATOM 27 O THR A 3 4.464 9.758 -2.714 1.00 0.00 O ATOM 28 CB THR A 3 2.874 11.369 -0.657 1.00 0.00 C ATOM 29 OG1 THR A 3 1.473 11.059 -0.748 1.00 0.00 O ATOM 30 CG2 THR A 3 3.095 12.461 0.378 1.00 0.00 C ATOM 0 H THR A 3 1.797 10.864 -2.979 1.00 0.00 H new ATOM 0 HA THR A 3 3.709 12.848 -1.978 1.00 0.00 H new ATOM 0 HB THR A 3 3.422 10.481 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.142 10.781 0.131 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.712 12.130 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.161 12.671 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.570 13.366 0.070 1.00 0.00 H new ATOM 38 N THR A 4 5.776 11.545 -2.372 1.00 0.00 N ATOM 39 CA THR A 4 7.003 10.843 -2.697 1.00 0.00 C ATOM 40 C THR A 4 7.585 10.191 -1.452 1.00 0.00 C ATOM 41 O THR A 4 8.310 10.830 -0.687 1.00 0.00 O ATOM 42 CB THR A 4 8.046 11.795 -3.312 1.00 0.00 C ATOM 43 OG1 THR A 4 7.386 12.913 -3.923 1.00 0.00 O ATOM 44 CG2 THR A 4 8.893 11.072 -4.348 1.00 0.00 C ATOM 0 H THR A 4 5.905 12.526 -2.126 1.00 0.00 H new ATOM 0 HA THR A 4 6.759 10.075 -3.431 1.00 0.00 H new ATOM 0 HB THR A 4 8.700 12.149 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.968 13.700 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.622 11.764 -4.769 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.414 10.239 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.251 10.694 -5.143 1.00 0.00 H new ATOM 52 N ILE A 5 7.243 8.930 -1.239 1.00 0.00 N ATOM 53 CA ILE A 5 7.735 8.200 -0.079 1.00 0.00 C ATOM 54 C ILE A 5 9.210 7.863 -0.257 1.00 0.00 C ATOM 55 O ILE A 5 9.658 7.542 -1.360 1.00 0.00 O ATOM 56 CB ILE A 5 6.922 6.907 0.187 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.302 5.792 -0.792 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.430 7.190 0.109 1.00 0.00 C ATOM 59 CD1 ILE A 5 8.022 4.636 -0.129 1.00 0.00 C ATOM 0 H ILE A 5 6.629 8.392 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 5 7.611 8.848 0.789 1.00 0.00 H new ATOM 0 HB ILE A 5 7.166 6.566 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.399 5.420 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.937 6.206 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.875 6.271 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.162 7.937 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.182 7.565 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.263 3.880 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.942 4.996 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.380 4.198 0.635 1.00 0.00 H new ATOM 71 N GLY A 6 9.963 7.953 0.825 1.00 0.00 N ATOM 72 CA GLY A 6 11.378 7.670 0.760 1.00 0.00 C ATOM 73 C GLY A 6 11.730 6.383 1.469 1.00 0.00 C ATOM 74 O GLY A 6 11.177 5.327 1.152 1.00 0.00 O ATOM 0 H GLY A 6 9.619 8.217 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.688 7.606 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.934 8.494 1.207 1.00 0.00 H new ATOM 78 N PRO A 7 12.634 6.443 2.452 1.00 0.00 N ATOM 79 CA PRO A 7 13.075 5.263 3.192 1.00 0.00 C ATOM 80 C PRO A 7 12.067 4.825 4.255 1.00 0.00 C ATOM 81 O PRO A 7 12.229 5.108 5.443 1.00 0.00 O ATOM 82 CB PRO A 7 14.379 5.725 3.840 1.00 0.00 C ATOM 83 CG PRO A 7 14.227 7.198 4.007 1.00 0.00 C ATOM 84 CD PRO A 7 13.318 7.670 2.902 1.00 0.00 C ATOM 0 HA PRO A 7 13.189 4.393 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.538 5.234 4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 7 15.238 5.486 3.213 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.804 7.435 4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.195 7.695 3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.607 8.414 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.882 8.132 2.092 1.00 0.00 H new ATOM 92 N ASN A 8 11.014 4.154 3.796 1.00 0.00 N ATOM 93 CA ASN A 8 9.999 3.559 4.670 1.00 0.00 C ATOM 94 C ASN A 8 9.324 4.603 5.551 1.00 0.00 C ATOM 95 O ASN A 8 9.729 4.838 6.690 1.00 0.00 O ATOM 96 CB ASN A 8 10.598 2.447 5.538 1.00 0.00 C ATOM 97 CG ASN A 8 9.542 1.468 6.018 1.00 0.00 C ATOM 98 OD1 ASN A 8 8.351 1.649 5.761 1.00 0.00 O ATOM 99 ND2 ASN A 8 9.964 0.432 6.725 1.00 0.00 N ATOM 0 H ASN A 8 10.837 4.005 2.803 1.00 0.00 H new ATOM 0 HA ASN A 8 9.239 3.125 4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.357 1.911 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.100 2.890 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.294 -0.251 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.959 0.317 6.917 1.00 0.00 H new ATOM 106 N THR A 9 8.278 5.211 5.020 1.00 0.00 N ATOM 107 CA THR A 9 7.530 6.234 5.735 1.00 0.00 C ATOM 108 C THR A 9 6.562 5.616 6.748 1.00 0.00 C ATOM 109 O THR A 9 5.952 6.318 7.558 1.00 0.00 O ATOM 110 CB THR A 9 6.748 7.101 4.736 1.00 0.00 C ATOM 111 OG1 THR A 9 7.419 7.082 3.469 1.00 0.00 O ATOM 112 CG2 THR A 9 6.624 8.533 5.229 1.00 0.00 C ATOM 0 H THR A 9 7.923 5.012 4.085 1.00 0.00 H new ATOM 0 HA THR A 9 8.243 6.851 6.281 1.00 0.00 H new ATOM 0 HB THR A 9 5.743 6.691 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.131 7.852 2.935 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.066 9.121 4.501 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.099 8.545 6.184 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.618 8.961 5.356 1.00 0.00 H new ATOM 120 N CYS A 10 6.435 4.297 6.709 1.00 0.00 N ATOM 121 CA CYS A 10 5.519 3.592 7.592 1.00 0.00 C ATOM 122 C CYS A 10 6.198 2.376 8.207 1.00 0.00 C ATOM 123 O CYS A 10 5.668 1.272 8.151 1.00 0.00 O ATOM 124 CB CYS A 10 4.267 3.160 6.824 1.00 0.00 C ATOM 125 SG CYS A 10 3.079 4.506 6.514 1.00 0.00 S ATOM 0 H CYS A 10 6.956 3.693 6.073 1.00 0.00 H new ATOM 0 HA CYS A 10 5.226 4.270 8.393 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.570 2.731 5.869 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.766 2.370 7.383 1.00 0.00 H new ATOM 130 N SER A 11 7.373 2.582 8.785 1.00 0.00 N ATOM 131 CA SER A 11 8.119 1.495 9.404 1.00 0.00 C ATOM 132 C SER A 11 7.436 1.033 10.689 1.00 0.00 C ATOM 133 O SER A 11 7.067 -0.138 10.818 1.00 0.00 O ATOM 134 CB SER A 11 9.545 1.962 9.695 1.00 0.00 C ATOM 135 OG SER A 11 9.760 3.263 9.165 1.00 0.00 O ATOM 0 H SER A 11 7.831 3.492 8.838 1.00 0.00 H new ATOM 0 HA SER A 11 8.149 0.648 8.718 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.720 1.968 10.771 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.259 1.263 9.260 1.00 0.00 H new ATOM 0 HG SER A 11 9.699 3.232 8.187 1.00 0.00 H new ATOM 141 N ILE A 12 7.236 1.978 11.611 1.00 0.00 N ATOM 142 CA ILE A 12 6.648 1.706 12.925 1.00 0.00 C ATOM 143 C ILE A 12 7.274 0.465 13.571 1.00 0.00 C ATOM 144 O ILE A 12 8.417 0.503 14.028 1.00 0.00 O ATOM 145 CB ILE A 12 5.109 1.549 12.840 1.00 0.00 C ATOM 146 CG1 ILE A 12 4.520 2.577 11.868 1.00 0.00 C ATOM 147 CG2 ILE A 12 4.478 1.705 14.218 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.147 2.209 11.350 1.00 0.00 C ATOM 0 H ILE A 12 7.479 2.958 11.466 1.00 0.00 H new ATOM 0 HA ILE A 12 6.866 2.568 13.555 1.00 0.00 H new ATOM 0 HB ILE A 12 4.886 0.549 12.468 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.463 3.544 12.367 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.198 2.694 11.023 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.397 1.592 14.138 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.874 0.942 14.888 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.711 2.693 14.615 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.796 2.984 10.668 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.201 1.257 10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.454 2.121 12.187 1.00 0.00 H new ATOM 160 N ASP A 13 6.524 -0.628 13.597 1.00 0.00 N ATOM 161 CA ASP A 13 7.007 -1.883 14.156 1.00 0.00 C ATOM 162 C ASP A 13 7.637 -2.728 13.052 1.00 0.00 C ATOM 163 O ASP A 13 8.859 -2.804 12.936 1.00 0.00 O ATOM 164 CB ASP A 13 5.850 -2.634 14.823 1.00 0.00 C ATOM 165 CG ASP A 13 6.222 -4.039 15.249 1.00 0.00 C ATOM 166 OD1 ASP A 13 7.101 -4.191 16.122 1.00 0.00 O ATOM 167 OD2 ASP A 13 5.619 -4.998 14.724 1.00 0.00 O ATOM 0 H ASP A 13 5.572 -0.670 13.235 1.00 0.00 H new ATOM 0 HA ASP A 13 7.765 -1.678 14.912 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.515 -2.073 15.695 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.008 -2.681 14.132 1.00 0.00 H new ATOM 172 N ASP A 14 6.796 -3.356 12.242 1.00 0.00 N ATOM 173 CA ASP A 14 7.244 -4.044 11.035 1.00 0.00 C ATOM 174 C ASP A 14 6.238 -3.793 9.920 1.00 0.00 C ATOM 175 O ASP A 14 5.758 -4.711 9.258 1.00 0.00 O ATOM 176 CB ASP A 14 7.414 -5.549 11.274 1.00 0.00 C ATOM 177 CG ASP A 14 8.070 -6.250 10.093 1.00 0.00 C ATOM 178 OD1 ASP A 14 8.695 -5.563 9.253 1.00 0.00 O ATOM 179 OD2 ASP A 14 7.959 -7.490 9.989 1.00 0.00 O ATOM 0 H ASP A 14 5.789 -3.404 12.400 1.00 0.00 H new ATOM 0 HA ASP A 14 8.220 -3.651 10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.017 -5.707 12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.439 -5.997 11.464 1.00 0.00 H new ATOM 184 N TYR A 15 5.919 -2.530 9.727 1.00 0.00 N ATOM 185 CA TYR A 15 4.923 -2.133 8.754 1.00 0.00 C ATOM 186 C TYR A 15 5.601 -1.694 7.468 1.00 0.00 C ATOM 187 O TYR A 15 6.829 -1.579 7.417 1.00 0.00 O ATOM 188 CB TYR A 15 4.060 -1.009 9.326 1.00 0.00 C ATOM 189 CG TYR A 15 3.176 -1.458 10.467 1.00 0.00 C ATOM 190 CD1 TYR A 15 3.666 -1.523 11.765 1.00 0.00 C ATOM 191 CD2 TYR A 15 1.856 -1.828 10.244 1.00 0.00 C ATOM 192 CE1 TYR A 15 2.866 -1.940 12.809 1.00 0.00 C ATOM 193 CE2 TYR A 15 1.050 -2.249 11.285 1.00 0.00 C ATOM 194 CZ TYR A 15 1.562 -2.304 12.564 1.00 0.00 C ATOM 195 OH TYR A 15 0.769 -2.726 13.603 1.00 0.00 O ATOM 0 H TYR A 15 6.340 -1.754 10.237 1.00 0.00 H new ATOM 0 HA TYR A 15 4.278 -2.982 8.528 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.707 -0.203 9.672 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.436 -0.598 8.532 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.690 -1.242 11.960 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.453 -1.786 9.243 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.261 -1.980 13.813 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.025 -2.533 11.098 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.124 -2.945 13.265 1.00 0.00 H new ATOM 205 N LYS A 16 4.813 -1.479 6.429 1.00 0.00 N ATOM 206 CA LYS A 16 5.342 -1.050 5.147 1.00 0.00 C ATOM 207 C LYS A 16 4.458 0.041 4.551 1.00 0.00 C ATOM 208 O LYS A 16 3.263 0.106 4.845 1.00 0.00 O ATOM 209 CB LYS A 16 5.433 -2.240 4.186 1.00 0.00 C ATOM 210 CG LYS A 16 6.706 -3.059 4.344 1.00 0.00 C ATOM 211 CD LYS A 16 6.443 -4.366 5.080 1.00 0.00 C ATOM 212 CE LYS A 16 7.705 -4.896 5.748 1.00 0.00 C ATOM 213 NZ LYS A 16 7.975 -4.223 7.047 1.00 0.00 N ATOM 0 H LYS A 16 3.800 -1.595 6.449 1.00 0.00 H new ATOM 0 HA LYS A 16 6.343 -0.646 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.572 -2.889 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.372 -1.873 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.127 -3.272 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.449 -2.477 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.670 -4.211 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.062 -5.109 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.606 -5.969 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.555 -4.752 5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.962 -3.896 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.338 -3.408 7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.814 -4.894 7.825 1.00 0.00 H new ATOM 227 N PRO A 17 5.038 0.925 3.720 1.00 0.00 N ATOM 228 CA PRO A 17 4.290 1.993 3.062 1.00 0.00 C ATOM 229 C PRO A 17 3.531 1.489 1.835 1.00 0.00 C ATOM 230 O PRO A 17 4.130 1.058 0.848 1.00 0.00 O ATOM 231 CB PRO A 17 5.382 2.985 2.662 1.00 0.00 C ATOM 232 CG PRO A 17 6.608 2.152 2.463 1.00 0.00 C ATOM 233 CD PRO A 17 6.470 0.948 3.360 1.00 0.00 C ATOM 0 HA PRO A 17 3.524 2.425 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.115 3.519 1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.536 3.736 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.703 1.848 1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.505 2.719 2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.766 0.033 2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.101 1.036 4.244 1.00 0.00 H new ATOM 241 N TYR A 18 2.213 1.535 1.910 1.00 0.00 N ATOM 242 CA TYR A 18 1.366 1.059 0.830 1.00 0.00 C ATOM 243 C TYR A 18 0.394 2.153 0.393 1.00 0.00 C ATOM 244 O TYR A 18 -0.476 2.552 1.160 1.00 0.00 O ATOM 245 CB TYR A 18 0.573 -0.169 1.285 1.00 0.00 C ATOM 246 CG TYR A 18 1.362 -1.460 1.330 1.00 0.00 C ATOM 247 CD1 TYR A 18 1.673 -2.153 0.167 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.781 -1.997 2.543 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.378 -3.342 0.210 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.489 -3.184 2.593 1.00 0.00 C ATOM 251 CZ TYR A 18 2.784 -3.852 1.424 1.00 0.00 C ATOM 252 OH TYR A 18 3.489 -5.032 1.471 1.00 0.00 O ATOM 0 H TYR A 18 1.702 1.900 2.714 1.00 0.00 H new ATOM 0 HA TYR A 18 2.004 0.789 -0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.168 0.026 2.278 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.276 -0.303 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.359 -1.756 -0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.549 -1.478 3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.609 -3.869 -0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.809 -3.585 3.543 1.00 0.00 H new ATOM 0 HH TYR A 18 3.699 -5.251 2.403 1.00 0.00 H new ATOM 262 N CYS A 19 0.544 2.644 -0.830 1.00 0.00 N ATOM 263 CA CYS A 19 -0.390 3.628 -1.365 1.00 0.00 C ATOM 264 C CYS A 19 -1.652 2.917 -1.855 1.00 0.00 C ATOM 265 O CYS A 19 -1.608 2.149 -2.818 1.00 0.00 O ATOM 266 CB CYS A 19 0.255 4.433 -2.503 1.00 0.00 C ATOM 267 SG CYS A 19 1.791 3.702 -3.171 1.00 0.00 S ATOM 0 H CYS A 19 1.296 2.381 -1.466 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.658 4.329 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.467 4.535 -3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.473 5.438 -2.142 1.00 0.00 H new ATOM 272 N CYS A 20 -2.768 3.164 -1.183 1.00 0.00 N ATOM 273 CA CYS A 20 -3.998 2.426 -1.451 1.00 0.00 C ATOM 274 C CYS A 20 -5.055 3.290 -2.121 1.00 0.00 C ATOM 275 O CYS A 20 -5.146 4.490 -1.873 1.00 0.00 O ATOM 276 CB CYS A 20 -4.568 1.855 -0.153 1.00 0.00 C ATOM 277 SG CYS A 20 -4.490 0.042 -0.047 1.00 0.00 S ATOM 0 H CYS A 20 -2.849 3.868 -0.449 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.738 1.618 -2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.024 2.282 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.607 2.170 -0.054 1.00 0.00 H new ATOM 282 N GLN A 21 -5.852 2.656 -2.971 1.00 0.00 N ATOM 283 CA GLN A 21 -6.989 3.306 -3.602 1.00 0.00 C ATOM 284 C GLN A 21 -8.267 2.588 -3.180 1.00 0.00 C ATOM 285 O GLN A 21 -8.302 1.962 -2.122 1.00 0.00 O ATOM 286 CB GLN A 21 -6.845 3.305 -5.131 1.00 0.00 C ATOM 287 CG GLN A 21 -6.074 2.115 -5.683 1.00 0.00 C ATOM 288 CD GLN A 21 -4.638 2.463 -6.041 1.00 0.00 C ATOM 289 OE1 GLN A 21 -4.378 3.200 -6.991 1.00 0.00 O ATOM 290 NE2 GLN A 21 -3.694 1.928 -5.281 1.00 0.00 N ATOM 0 H GLN A 21 -5.728 1.680 -3.241 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.032 4.346 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.839 3.319 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.344 4.223 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.076 1.312 -4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.584 1.736 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.949 1.321 -4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.712 2.123 -5.475 1.00 0.00 H new ATOM 299 N SER A 22 -9.306 2.667 -3.996 1.00 0.00 N ATOM 300 CA SER A 22 -10.565 2.022 -3.672 1.00 0.00 C ATOM 301 C SER A 22 -11.024 1.122 -4.816 1.00 0.00 C ATOM 302 O SER A 22 -10.951 1.507 -5.987 1.00 0.00 O ATOM 303 CB SER A 22 -11.627 3.082 -3.380 1.00 0.00 C ATOM 304 OG SER A 22 -11.136 4.383 -3.667 1.00 0.00 O ATOM 0 H SER A 22 -9.301 3.170 -4.884 1.00 0.00 H new ATOM 0 HA SER A 22 -10.420 1.402 -2.787 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.517 2.885 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.926 3.024 -2.333 1.00 0.00 H new ATOM 0 HG SER A 22 -11.832 5.045 -3.475 1.00 0.00 H new ATOM 310 N MET A 23 -11.478 -0.080 -4.477 1.00 0.00 N ATOM 311 CA MET A 23 -12.016 -1.003 -5.472 1.00 0.00 C ATOM 312 C MET A 23 -13.531 -0.858 -5.539 1.00 0.00 C ATOM 313 O MET A 23 -14.200 -0.792 -4.507 1.00 0.00 O ATOM 314 CB MET A 23 -11.643 -2.451 -5.141 1.00 0.00 C ATOM 315 CG MET A 23 -10.156 -2.742 -5.247 1.00 0.00 C ATOM 316 SD MET A 23 -9.592 -2.928 -6.950 1.00 0.00 S ATOM 317 CE MET A 23 -8.564 -1.470 -7.124 1.00 0.00 C ATOM 0 H MET A 23 -11.485 -0.438 -3.522 1.00 0.00 H new ATOM 0 HA MET A 23 -11.582 -0.756 -6.441 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.977 -2.680 -4.129 1.00 0.00 H new ATOM 0 HB3 MET A 23 -12.183 -3.118 -5.813 1.00 0.00 H new ATOM 0 HG2 MET A 23 -9.599 -1.934 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.930 -3.654 -4.694 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.140 -1.441 -8.128 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.168 -0.577 -6.959 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.758 -1.504 -6.391 1.00 0.00 H new ATOM 327 N SER A 24 -14.065 -0.795 -6.749 1.00 0.00 N ATOM 328 CA SER A 24 -15.488 -0.561 -6.949 1.00 0.00 C ATOM 329 C SER A 24 -16.313 -1.819 -6.670 1.00 0.00 C ATOM 330 O SER A 24 -17.138 -1.839 -5.756 1.00 0.00 O ATOM 331 CB SER A 24 -15.715 -0.075 -8.380 1.00 0.00 C ATOM 332 OG SER A 24 -14.475 0.240 -8.994 1.00 0.00 O ATOM 0 H SER A 24 -13.532 -0.903 -7.612 1.00 0.00 H new ATOM 0 HA SER A 24 -15.820 0.200 -6.243 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.229 -0.845 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.360 0.804 -8.375 1.00 0.00 H new ATOM 0 HG SER A 24 -14.119 -0.557 -9.440 1.00 0.00 H new ATOM 338 N GLY A 25 -16.075 -2.869 -7.445 1.00 0.00 N ATOM 339 CA GLY A 25 -16.855 -4.082 -7.301 1.00 0.00 C ATOM 340 C GLY A 25 -16.240 -5.058 -6.321 1.00 0.00 C ATOM 341 O GLY A 25 -16.955 -5.734 -5.575 1.00 0.00 O ATOM 0 H GLY A 25 -15.357 -2.902 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.861 -3.825 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.954 -4.564 -8.274 1.00 0.00 H new ATOM 345 N SER A 26 -14.916 -5.135 -6.326 1.00 0.00 N ATOM 346 CA SER A 26 -14.194 -6.032 -5.435 1.00 0.00 C ATOM 347 C SER A 26 -14.167 -5.475 -4.015 1.00 0.00 C ATOM 348 O SER A 26 -13.956 -4.280 -3.811 1.00 0.00 O ATOM 349 CB SER A 26 -12.772 -6.234 -5.952 1.00 0.00 C ATOM 350 OG SER A 26 -12.643 -5.717 -7.268 1.00 0.00 O ATOM 0 H SER A 26 -14.318 -4.584 -6.941 1.00 0.00 H new ATOM 0 HA SER A 26 -14.707 -6.993 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.064 -5.737 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.524 -7.295 -5.946 1.00 0.00 H new ATOM 0 HG SER A 26 -11.725 -5.853 -7.584 1.00 0.00 H new ATOM 356 N ALA A 27 -14.385 -6.343 -3.041 1.00 0.00 N ATOM 357 CA ALA A 27 -14.398 -5.933 -1.644 1.00 0.00 C ATOM 358 C ALA A 27 -12.979 -5.855 -1.088 1.00 0.00 C ATOM 359 O ALA A 27 -12.562 -6.695 -0.288 1.00 0.00 O ATOM 360 CB ALA A 27 -15.247 -6.889 -0.822 1.00 0.00 C ATOM 0 H ALA A 27 -14.556 -7.337 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.838 -4.938 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.248 -6.570 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.268 -6.888 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.834 -7.895 -0.894 1.00 0.00 H new ATOM 366 N SER A 28 -12.237 -4.851 -1.535 1.00 0.00 N ATOM 367 CA SER A 28 -10.867 -4.631 -1.091 1.00 0.00 C ATOM 368 C SER A 28 -10.447 -3.196 -1.393 1.00 0.00 C ATOM 369 O SER A 28 -11.231 -2.421 -1.941 1.00 0.00 O ATOM 370 CB SER A 28 -9.915 -5.619 -1.774 1.00 0.00 C ATOM 371 OG SER A 28 -10.128 -6.938 -1.300 1.00 0.00 O ATOM 0 H SER A 28 -12.567 -4.166 -2.215 1.00 0.00 H new ATOM 0 HA SER A 28 -10.817 -4.796 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.065 -5.588 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.883 -5.324 -1.587 1.00 0.00 H new ATOM 0 HG SER A 28 -10.828 -6.930 -0.615 1.00 0.00 H new ATOM 377 N LEU A 29 -9.219 -2.848 -1.038 1.00 0.00 N ATOM 378 CA LEU A 29 -8.722 -1.498 -1.256 1.00 0.00 C ATOM 379 C LEU A 29 -7.882 -1.426 -2.528 1.00 0.00 C ATOM 380 O LEU A 29 -8.292 -0.836 -3.526 1.00 0.00 O ATOM 381 CB LEU A 29 -7.891 -1.038 -0.055 1.00 0.00 C ATOM 382 CG LEU A 29 -8.676 -0.352 1.071 1.00 0.00 C ATOM 383 CD1 LEU A 29 -9.735 0.584 0.506 1.00 0.00 C ATOM 384 CD2 LEU A 29 -9.314 -1.386 1.987 1.00 0.00 C ATOM 0 H LEU A 29 -8.550 -3.480 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.580 -0.836 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.376 -1.904 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.123 -0.350 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.974 0.243 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.277 1.057 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.256 1.351 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.432 0.015 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.866 -0.879 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.997 -2.010 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.537 -2.010 2.428 1.00 0.00 H new ATOM 396 N GLY A 30 -6.714 -2.050 -2.493 1.00 0.00 N ATOM 397 CA GLY A 30 -5.810 -1.987 -3.622 1.00 0.00 C ATOM 398 C GLY A 30 -4.617 -1.109 -3.315 1.00 0.00 C ATOM 399 O GLY A 30 -4.678 0.111 -3.463 1.00 0.00 O ATOM 0 H GLY A 30 -6.376 -2.599 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.471 -2.991 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.337 -1.598 -4.493 1.00 0.00 H new ATOM 403 N CYS A 31 -3.534 -1.728 -2.883 1.00 0.00 N ATOM 404 CA CYS A 31 -2.367 -1.001 -2.415 1.00 0.00 C ATOM 405 C CYS A 31 -1.168 -1.233 -3.327 1.00 0.00 C ATOM 406 O CYS A 31 -1.073 -2.261 -3.996 1.00 0.00 O ATOM 407 CB CYS A 31 -2.014 -1.450 -0.996 1.00 0.00 C ATOM 408 SG CYS A 31 -2.529 -0.301 0.320 1.00 0.00 S ATOM 0 H CYS A 31 -3.438 -2.743 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.607 0.062 -2.423 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.475 -2.421 -0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.935 -1.592 -0.933 1.00 0.00 H new ATOM 413 N VAL A 32 -0.270 -0.265 -3.369 1.00 0.00 N ATOM 414 CA VAL A 32 1.007 -0.433 -4.046 1.00 0.00 C ATOM 415 C VAL A 32 2.131 -0.237 -3.043 1.00 0.00 C ATOM 416 O VAL A 32 2.057 0.651 -2.194 1.00 0.00 O ATOM 417 CB VAL A 32 1.194 0.552 -5.220 1.00 0.00 C ATOM 418 CG1 VAL A 32 2.149 -0.029 -6.251 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.142 0.897 -5.862 1.00 0.00 C ATOM 0 H VAL A 32 -0.401 0.651 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 32 1.026 -1.440 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 32 1.625 1.473 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.271 0.677 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.117 -0.215 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.745 -0.966 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.019 1.592 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.609 -0.012 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.794 1.358 -5.120 1.00 0.00 H new ATOM 429 N VAL A 33 3.152 -1.072 -3.121 1.00 0.00 N ATOM 430 CA VAL A 33 4.248 -1.006 -2.170 1.00 0.00 C ATOM 431 C VAL A 33 5.217 0.122 -2.530 1.00 0.00 C ATOM 432 O VAL A 33 5.569 0.312 -3.697 1.00 0.00 O ATOM 433 CB VAL A 33 5.003 -2.358 -2.080 1.00 0.00 C ATOM 434 CG1 VAL A 33 5.645 -2.725 -3.410 1.00 0.00 C ATOM 435 CG2 VAL A 33 6.044 -2.326 -0.971 1.00 0.00 C ATOM 0 H VAL A 33 3.245 -1.800 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 33 3.818 -0.794 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 33 4.270 -3.129 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.166 -3.678 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.873 -2.810 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.356 -1.950 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.560 -3.285 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.766 -1.535 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.553 -2.135 -0.017 1.00 0.00 H new ATOM 445 N GLY A 34 5.605 0.895 -1.523 1.00 0.00 N ATOM 446 CA GLY A 34 6.574 1.951 -1.724 1.00 0.00 C ATOM 447 C GLY A 34 7.927 1.407 -2.131 1.00 0.00 C ATOM 448 O GLY A 34 8.554 0.659 -1.382 1.00 0.00 O ATOM 0 H GLY A 34 5.263 0.807 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.212 2.634 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.677 2.529 -0.806 1.00 0.00 H new ATOM 452 N VAL A 35 8.377 1.789 -3.313 1.00 0.00 N ATOM 453 CA VAL A 35 9.633 1.287 -3.857 1.00 0.00 C ATOM 454 C VAL A 35 10.796 2.182 -3.443 1.00 0.00 C ATOM 455 O VAL A 35 11.946 1.929 -3.809 1.00 0.00 O ATOM 456 CB VAL A 35 9.592 1.206 -5.400 1.00 0.00 C ATOM 457 CG1 VAL A 35 10.425 0.037 -5.905 1.00 0.00 C ATOM 458 CG2 VAL A 35 8.159 1.096 -5.903 1.00 0.00 C ATOM 0 H VAL A 35 7.890 2.449 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 35 9.776 0.285 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 35 10.021 2.128 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.380 0.002 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.460 0.164 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.032 -0.894 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.159 1.041 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.698 0.197 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.593 1.971 -5.584 1.00 0.00 H new ATOM 468 N ILE A 36 10.474 3.221 -2.670 1.00 0.00 N ATOM 469 CA ILE A 36 11.445 4.223 -2.227 1.00 0.00 C ATOM 470 C ILE A 36 11.749 5.193 -3.364 1.00 0.00 C ATOM 471 O ILE A 36 12.305 4.811 -4.395 1.00 0.00 O ATOM 472 CB ILE A 36 12.757 3.592 -1.697 1.00 0.00 C ATOM 473 CG1 ILE A 36 12.474 2.756 -0.446 1.00 0.00 C ATOM 474 CG2 ILE A 36 13.786 4.669 -1.389 1.00 0.00 C ATOM 475 CD1 ILE A 36 13.556 1.746 -0.131 1.00 0.00 C ATOM 0 H ILE A 36 9.527 3.392 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 36 10.993 4.761 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 36 13.163 2.941 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.354 3.424 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.527 2.232 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.699 4.204 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.007 5.231 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.390 5.345 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.286 1.192 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.662 1.054 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.501 2.264 0.033 1.00 0.00 H new ATOM 487 N GLY A 37 11.356 6.445 -3.181 1.00 0.00 N ATOM 488 CA GLY A 37 11.496 7.427 -4.236 1.00 0.00 C ATOM 489 C GLY A 37 10.306 7.399 -5.167 1.00 0.00 C ATOM 490 O GLY A 37 10.374 7.861 -6.305 1.00 0.00 O ATOM 0 H GLY A 37 10.942 6.799 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.598 8.421 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.408 7.231 -4.800 1.00 0.00 H new ATOM 494 N SER A 38 9.204 6.855 -4.673 1.00 0.00 N ATOM 495 CA SER A 38 8.017 6.664 -5.486 1.00 0.00 C ATOM 496 C SER A 38 6.928 7.666 -5.121 1.00 0.00 C ATOM 497 O SER A 38 6.598 7.843 -3.947 1.00 0.00 O ATOM 498 CB SER A 38 7.504 5.240 -5.302 1.00 0.00 C ATOM 499 OG SER A 38 8.505 4.422 -4.712 1.00 0.00 O ATOM 0 H SER A 38 9.109 6.537 -3.708 1.00 0.00 H new ATOM 0 HA SER A 38 8.282 6.828 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.614 5.246 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.210 4.826 -6.266 1.00 0.00 H new ATOM 0 HG SER A 38 8.423 4.457 -3.736 1.00 0.00 H new ATOM 505 N GLN A 39 6.381 8.323 -6.134 1.00 0.00 N ATOM 506 CA GLN A 39 5.311 9.287 -5.937 1.00 0.00 C ATOM 507 C GLN A 39 3.953 8.591 -5.973 1.00 0.00 C ATOM 508 O GLN A 39 3.373 8.402 -7.043 1.00 0.00 O ATOM 509 CB GLN A 39 5.373 10.369 -7.016 1.00 0.00 C ATOM 510 CG GLN A 39 5.654 11.760 -6.473 1.00 0.00 C ATOM 511 CD GLN A 39 6.640 12.537 -7.329 1.00 0.00 C ATOM 512 OE1 GLN A 39 6.637 12.429 -8.554 1.00 0.00 O ATOM 513 NE2 GLN A 39 7.491 13.321 -6.689 1.00 0.00 N ATOM 0 H GLN A 39 6.664 8.204 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 39 5.439 9.752 -4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.148 10.107 -7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.427 10.384 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.719 12.316 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.046 11.677 -5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.461 13.383 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.177 13.864 -7.213 1.00 0.00 H new ATOM 522 N CYS A 40 3.459 8.203 -4.805 1.00 0.00 N ATOM 523 CA CYS A 40 2.157 7.557 -4.705 1.00 0.00 C ATOM 524 C CYS A 40 1.051 8.599 -4.758 1.00 0.00 C ATOM 525 O CYS A 40 0.975 9.473 -3.896 1.00 0.00 O ATOM 526 CB CYS A 40 2.042 6.750 -3.402 1.00 0.00 C ATOM 527 SG CYS A 40 3.094 5.260 -3.342 1.00 0.00 S ATOM 0 H CYS A 40 3.940 8.324 -3.914 1.00 0.00 H new ATOM 0 HA CYS A 40 2.053 6.873 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.302 7.397 -2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.003 6.452 -3.264 1.00 0.00 H new ATOM 532 N GLY A 41 0.213 8.518 -5.782 1.00 0.00 N ATOM 533 CA GLY A 41 -0.910 9.426 -5.891 1.00 0.00 C ATOM 534 C GLY A 41 -2.047 9.000 -4.990 1.00 0.00 C ATOM 535 O GLY A 41 -2.844 9.825 -4.535 1.00 0.00 O ATOM 0 H GLY A 41 0.291 7.839 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.592 10.435 -5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.255 9.460 -6.925 1.00 0.00 H new ATOM 539 N ALA A 42 -2.119 7.701 -4.736 1.00 0.00 N ATOM 540 CA ALA A 42 -3.110 7.143 -3.832 1.00 0.00 C ATOM 541 C ALA A 42 -2.671 7.341 -2.384 1.00 0.00 C ATOM 542 O ALA A 42 -1.475 7.457 -2.105 1.00 0.00 O ATOM 543 CB ALA A 42 -3.320 5.669 -4.137 1.00 0.00 C ATOM 0 H ALA A 42 -1.495 7.009 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.057 7.663 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.064 5.259 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.668 5.556 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.379 5.134 -4.012 1.00 0.00 H new ATOM 549 N SER A 43 -3.635 7.381 -1.473 1.00 0.00 N ATOM 550 CA SER A 43 -3.361 7.635 -0.065 1.00 0.00 C ATOM 551 C SER A 43 -2.419 6.580 0.518 1.00 0.00 C ATOM 552 O SER A 43 -2.695 5.378 0.456 1.00 0.00 O ATOM 553 CB SER A 43 -4.676 7.665 0.710 1.00 0.00 C ATOM 554 OG SER A 43 -5.770 7.888 -0.170 1.00 0.00 O ATOM 0 H SER A 43 -4.622 7.239 -1.687 1.00 0.00 H new ATOM 0 HA SER A 43 -2.865 8.601 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.814 6.722 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.642 8.452 1.464 1.00 0.00 H new ATOM 0 HG SER A 43 -6.132 7.027 -0.467 1.00 0.00 H new ATOM 560 N VAL A 44 -1.300 7.039 1.064 1.00 0.00 N ATOM 561 CA VAL A 44 -0.304 6.144 1.637 1.00 0.00 C ATOM 562 C VAL A 44 -0.758 5.630 2.998 1.00 0.00 C ATOM 563 O VAL A 44 -1.038 6.411 3.911 1.00 0.00 O ATOM 564 CB VAL A 44 1.067 6.837 1.789 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.169 5.807 2.007 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.372 7.699 0.571 1.00 0.00 C ATOM 0 H VAL A 44 -1.059 8.029 1.122 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.196 5.307 0.947 1.00 0.00 H new ATOM 0 HB VAL A 44 1.026 7.485 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.127 6.316 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.960 5.237 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.209 5.131 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.343 8.178 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.390 7.074 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.602 8.462 0.463 1.00 0.00 H new ATOM 576 N LYS A 45 -0.850 4.317 3.118 1.00 0.00 N ATOM 577 CA LYS A 45 -1.244 3.679 4.363 1.00 0.00 C ATOM 578 C LYS A 45 -0.107 2.822 4.899 1.00 0.00 C ATOM 579 O LYS A 45 0.753 2.364 4.140 1.00 0.00 O ATOM 580 CB LYS A 45 -2.486 2.807 4.154 1.00 0.00 C ATOM 581 CG LYS A 45 -3.493 3.387 3.171 1.00 0.00 C ATOM 582 CD LYS A 45 -4.594 4.147 3.888 1.00 0.00 C ATOM 583 CE LYS A 45 -5.560 3.206 4.586 1.00 0.00 C ATOM 584 NZ LYS A 45 -5.889 3.665 5.960 1.00 0.00 N ATOM 0 H LYS A 45 -0.655 3.665 2.359 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.478 4.461 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.172 1.825 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.977 2.657 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.982 4.053 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.930 2.583 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.153 4.824 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.138 4.762 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.476 3.128 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.125 2.208 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.614 3.042 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.033 3.635 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.250 4.640 5.923 1.00 0.00 H new ATOM 598 N CYS A 46 -0.096 2.615 6.202 1.00 0.00 N ATOM 599 CA CYS A 46 0.897 1.758 6.824 1.00 0.00 C ATOM 600 C CYS A 46 0.281 0.411 7.171 1.00 0.00 C ATOM 601 O CYS A 46 -0.384 0.258 8.203 1.00 0.00 O ATOM 602 CB CYS A 46 1.477 2.423 8.072 1.00 0.00 C ATOM 603 SG CYS A 46 1.653 4.235 7.937 1.00 0.00 S ATOM 0 H CYS A 46 -0.764 3.029 6.852 1.00 0.00 H new ATOM 0 HA CYS A 46 1.711 1.597 6.117 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.837 2.193 8.924 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.454 1.988 8.281 1.00 0.00 H new ATOM 608 N CYS A 47 0.490 -0.558 6.296 1.00 0.00 N ATOM 609 CA CYS A 47 -0.068 -1.888 6.477 1.00 0.00 C ATOM 610 C CYS A 47 1.024 -2.874 6.865 1.00 0.00 C ATOM 611 O CYS A 47 2.205 -2.642 6.598 1.00 0.00 O ATOM 612 CB CYS A 47 -0.754 -2.349 5.186 1.00 0.00 C ATOM 613 SG CYS A 47 -1.983 -1.173 4.536 1.00 0.00 S ATOM 0 H CYS A 47 1.046 -0.447 5.448 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.805 -1.850 7.279 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.007 -2.521 4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.244 -3.305 5.369 1.00 0.00 H new ATOM 618 N LYS A 48 0.631 -3.955 7.523 1.00 0.00 N ATOM 619 CA LYS A 48 1.558 -5.031 7.846 1.00 0.00 C ATOM 620 C LYS A 48 1.606 -6.026 6.696 1.00 0.00 C ATOM 621 O LYS A 48 2.649 -6.620 6.411 1.00 0.00 O ATOM 622 CB LYS A 48 1.121 -5.738 9.127 1.00 0.00 C ATOM 623 CG LYS A 48 2.090 -5.557 10.283 1.00 0.00 C ATOM 624 CD LYS A 48 2.280 -6.851 11.061 1.00 0.00 C ATOM 625 CE LYS A 48 2.995 -6.609 12.381 1.00 0.00 C ATOM 626 NZ LYS A 48 2.651 -7.634 13.402 1.00 0.00 N ATOM 0 H LYS A 48 -0.325 -4.111 7.844 1.00 0.00 H new ATOM 0 HA LYS A 48 2.551 -4.609 8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.141 -5.363 9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.006 -6.803 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.053 -5.216 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.719 -4.781 10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.309 -7.308 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.853 -7.557 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.072 -6.612 12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.733 -5.620 12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.161 -7.429 14.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.627 -7.615 13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.924 -8.575 13.055 1.00 0.00 H new ATOM 640 N ASP A 49 0.456 -6.181 6.046 1.00 0.00 N ATOM 641 CA ASP A 49 0.285 -7.100 4.925 1.00 0.00 C ATOM 642 C ASP A 49 0.660 -8.530 5.323 1.00 0.00 C ATOM 643 O ASP A 49 0.611 -8.899 6.500 1.00 0.00 O ATOM 644 CB ASP A 49 1.115 -6.635 3.716 1.00 0.00 C ATOM 645 CG ASP A 49 0.588 -7.175 2.398 1.00 0.00 C ATOM 646 OD1 ASP A 49 -0.349 -6.579 1.839 1.00 0.00 O ATOM 647 OD2 ASP A 49 1.111 -8.206 1.920 1.00 0.00 O ATOM 0 H ASP A 49 -0.392 -5.667 6.285 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.768 -7.097 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.119 -5.546 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.149 -6.954 3.847 1.00 0.00 H new ATOM 652 N ASP A 50 1.010 -9.331 4.333 1.00 0.00 N ATOM 653 CA ASP A 50 1.468 -10.691 4.546 1.00 0.00 C ATOM 654 C ASP A 50 2.543 -10.994 3.521 1.00 0.00 C ATOM 655 O ASP A 50 2.412 -11.916 2.713 1.00 0.00 O ATOM 656 CB ASP A 50 0.312 -11.688 4.423 1.00 0.00 C ATOM 657 CG ASP A 50 0.530 -12.933 5.261 1.00 0.00 C ATOM 658 OD1 ASP A 50 1.109 -12.826 6.362 1.00 0.00 O ATOM 659 OD2 ASP A 50 0.115 -14.029 4.826 1.00 0.00 O ATOM 0 H ASP A 50 0.984 -9.054 3.352 1.00 0.00 H new ATOM 0 HA ASP A 50 1.871 -10.788 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.615 -11.204 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.192 -11.973 3.378 1.00 0.00 H new ATOM 664 N VAL A 51 3.587 -10.174 3.548 1.00 0.00 N ATOM 665 CA VAL A 51 4.659 -10.233 2.564 1.00 0.00 C ATOM 666 C VAL A 51 5.324 -11.605 2.536 1.00 0.00 C ATOM 667 O VAL A 51 5.818 -12.092 3.553 1.00 0.00 O ATOM 668 CB VAL A 51 5.737 -9.160 2.831 1.00 0.00 C ATOM 669 CG1 VAL A 51 5.399 -7.873 2.096 1.00 0.00 C ATOM 670 CG2 VAL A 51 5.895 -8.897 4.325 1.00 0.00 C ATOM 0 H VAL A 51 3.713 -9.449 4.254 1.00 0.00 H new ATOM 0 HA VAL A 51 4.195 -10.041 1.596 1.00 0.00 H new ATOM 0 HB VAL A 51 6.688 -9.537 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.169 -7.127 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.351 -8.068 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.435 -7.500 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.661 -8.137 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.948 -8.547 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.190 -9.818 4.827 1.00 0.00 H new ATOM 680 N THR A 52 5.328 -12.220 1.366 1.00 0.00 N ATOM 681 CA THR A 52 5.946 -13.519 1.184 1.00 0.00 C ATOM 682 C THR A 52 7.352 -13.366 0.612 1.00 0.00 C ATOM 683 O THR A 52 8.245 -14.152 0.917 1.00 0.00 O ATOM 684 CB THR A 52 5.098 -14.401 0.251 1.00 0.00 C ATOM 685 OG1 THR A 52 3.850 -13.748 -0.036 1.00 0.00 O ATOM 686 CG2 THR A 52 4.827 -15.751 0.891 1.00 0.00 C ATOM 0 H THR A 52 4.905 -11.835 0.521 1.00 0.00 H new ATOM 0 HA THR A 52 6.010 -14.001 2.160 1.00 0.00 H new ATOM 0 HB THR A 52 5.652 -14.556 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.315 -14.313 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.226 -16.360 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.772 -16.256 1.090 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.288 -15.608 1.827 1.00 0.00 H new ATOM 694 N ASN A 53 7.544 -12.333 -0.203 1.00 0.00 N ATOM 695 CA ASN A 53 8.847 -12.048 -0.793 1.00 0.00 C ATOM 696 C ASN A 53 8.926 -10.581 -1.206 1.00 0.00 C ATOM 697 O ASN A 53 9.209 -9.714 -0.378 1.00 0.00 O ATOM 698 CB ASN A 53 9.109 -12.960 -1.998 1.00 0.00 C ATOM 699 CG ASN A 53 10.554 -12.919 -2.472 1.00 0.00 C ATOM 700 OD1 ASN A 53 11.402 -12.253 -1.880 1.00 0.00 O ATOM 701 ND2 ASN A 53 10.842 -13.635 -3.547 1.00 0.00 N ATOM 0 H ASN A 53 6.810 -11.677 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 53 9.616 -12.244 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.848 -13.985 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.455 -12.665 -2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.795 -13.647 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.111 -14.175 -4.011 1.00 0.00 H new ATOM 708 N THR A 54 8.656 -10.305 -2.476 1.00 0.00 N ATOM 709 CA THR A 54 8.700 -8.945 -2.990 1.00 0.00 C ATOM 710 C THR A 54 7.301 -8.353 -3.088 1.00 0.00 C ATOM 711 O THR A 54 7.097 -7.164 -2.852 1.00 0.00 O ATOM 712 CB THR A 54 9.358 -8.912 -4.378 1.00 0.00 C ATOM 713 OG1 THR A 54 9.519 -10.252 -4.872 1.00 0.00 O ATOM 714 CG2 THR A 54 10.708 -8.219 -4.315 1.00 0.00 C ATOM 0 H THR A 54 8.404 -11.009 -3.170 1.00 0.00 H new ATOM 0 HA THR A 54 9.291 -8.350 -2.293 1.00 0.00 H new ATOM 0 HB THR A 54 8.713 -8.352 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.937 -10.226 -5.758 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.157 -8.206 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.576 -7.196 -3.963 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.361 -8.757 -3.628 1.00 0.00 H new ATOM 722 N GLY A 55 6.336 -9.194 -3.424 1.00 0.00 N ATOM 723 CA GLY A 55 4.978 -8.727 -3.585 1.00 0.00 C ATOM 724 C GLY A 55 4.584 -8.616 -5.039 1.00 0.00 C ATOM 725 O GLY A 55 4.958 -9.458 -5.858 1.00 0.00 O ATOM 0 H GLY A 55 6.470 -10.192 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.298 -9.410 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.870 -7.754 -3.105 1.00 0.00 H new ATOM 729 N ASN A 56 3.849 -7.567 -5.368 1.00 0.00 N ATOM 730 CA ASN A 56 3.349 -7.377 -6.721 1.00 0.00 C ATOM 731 C ASN A 56 3.211 -5.888 -7.019 1.00 0.00 C ATOM 732 O ASN A 56 3.344 -5.060 -6.118 1.00 0.00 O ATOM 733 CB ASN A 56 2.001 -8.099 -6.882 1.00 0.00 C ATOM 734 CG ASN A 56 1.469 -8.092 -8.306 1.00 0.00 C ATOM 735 OD1 ASN A 56 0.275 -7.898 -8.525 1.00 0.00 O ATOM 736 ND2 ASN A 56 2.342 -8.292 -9.281 1.00 0.00 N ATOM 0 H ASN A 56 3.584 -6.830 -4.714 1.00 0.00 H new ATOM 0 HA ASN A 56 4.055 -7.803 -7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.110 -9.131 -6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.267 -7.629 -6.227 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.031 -8.288 -10.253 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.325 -8.450 -9.061 1.00 0.00 H new ATOM 743 N SER A 57 2.934 -5.555 -8.271 1.00 0.00 N ATOM 744 CA SER A 57 2.807 -4.172 -8.694 1.00 0.00 C ATOM 745 C SER A 57 1.454 -3.605 -8.272 1.00 0.00 C ATOM 746 O SER A 57 1.234 -2.393 -8.304 1.00 0.00 O ATOM 747 CB SER A 57 2.960 -4.103 -10.213 1.00 0.00 C ATOM 748 OG SER A 57 2.871 -5.403 -10.780 1.00 0.00 O ATOM 0 H SER A 57 2.792 -6.234 -9.018 1.00 0.00 H new ATOM 0 HA SER A 57 3.585 -3.575 -8.219 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.185 -3.462 -10.634 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.919 -3.653 -10.468 1.00 0.00 H new ATOM 0 HG SER A 57 2.969 -5.343 -11.753 1.00 0.00 H new ATOM 754 N PHE A 58 0.554 -4.492 -7.876 1.00 0.00 N ATOM 755 CA PHE A 58 -0.742 -4.091 -7.361 1.00 0.00 C ATOM 756 C PHE A 58 -1.217 -5.088 -6.314 1.00 0.00 C ATOM 757 O PHE A 58 -1.781 -6.133 -6.637 1.00 0.00 O ATOM 758 CB PHE A 58 -1.764 -3.975 -8.494 1.00 0.00 C ATOM 759 CG PHE A 58 -2.629 -2.755 -8.382 1.00 0.00 C ATOM 760 CD1 PHE A 58 -2.190 -1.531 -8.862 1.00 0.00 C ATOM 761 CD2 PHE A 58 -3.877 -2.832 -7.793 1.00 0.00 C ATOM 762 CE1 PHE A 58 -2.984 -0.407 -8.755 1.00 0.00 C ATOM 763 CE2 PHE A 58 -4.677 -1.713 -7.684 1.00 0.00 C ATOM 764 CZ PHE A 58 -4.230 -0.497 -8.165 1.00 0.00 C ATOM 0 H PHE A 58 0.701 -5.501 -7.903 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.642 -3.111 -6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.239 -3.954 -9.449 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.396 -4.863 -8.497 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.217 -1.456 -9.324 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.230 -3.779 -7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.632 0.542 -9.132 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.651 -1.787 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.853 0.381 -8.080 1.00 0.00 H new ATOM 774 N LEU A 59 -0.967 -4.767 -5.057 1.00 0.00 N ATOM 775 CA LEU A 59 -1.359 -5.625 -3.952 1.00 0.00 C ATOM 776 C LEU A 59 -2.753 -5.246 -3.472 1.00 0.00 C ATOM 777 O LEU A 59 -2.919 -4.353 -2.643 1.00 0.00 O ATOM 778 CB LEU A 59 -0.355 -5.509 -2.800 1.00 0.00 C ATOM 779 CG LEU A 59 1.108 -5.737 -3.183 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.862 -4.418 -3.212 1.00 0.00 C ATOM 781 CD2 LEU A 59 1.768 -6.706 -2.212 1.00 0.00 C ATOM 0 H LEU A 59 -0.490 -3.911 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.369 -6.659 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.447 -4.517 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.628 -6.229 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 59 1.139 -6.174 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.901 -4.599 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.404 -3.753 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.822 -3.954 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.809 -6.857 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.726 -6.295 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.243 -7.661 -2.237 1.00 0.00 H new ATOM 793 N ILE A 60 -3.757 -5.911 -4.011 1.00 0.00 N ATOM 794 CA ILE A 60 -5.135 -5.632 -3.641 1.00 0.00 C ATOM 795 C ILE A 60 -5.477 -6.307 -2.312 1.00 0.00 C ATOM 796 O ILE A 60 -6.058 -7.392 -2.271 1.00 0.00 O ATOM 797 CB ILE A 60 -6.117 -6.081 -4.749 1.00 0.00 C ATOM 798 CG1 ILE A 60 -5.744 -5.430 -6.085 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.554 -5.729 -4.383 1.00 0.00 C ATOM 800 CD1 ILE A 60 -5.272 -6.413 -7.134 1.00 0.00 C ATOM 0 H ILE A 60 -3.646 -6.649 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.240 -4.554 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.043 -7.164 -4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.610 -4.891 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.960 -4.693 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.223 -6.056 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.825 -6.229 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.643 -4.650 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.027 -5.877 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.387 -6.935 -6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.062 -7.136 -7.337 1.00 0.00 H new ATOM 812 N ILE A 61 -5.077 -5.661 -1.225 1.00 0.00 N ATOM 813 CA ILE A 61 -5.357 -6.167 0.109 1.00 0.00 C ATOM 814 C ILE A 61 -6.539 -5.437 0.724 1.00 0.00 C ATOM 815 O ILE A 61 -7.265 -4.708 0.040 1.00 0.00 O ATOM 816 CB ILE A 61 -4.154 -6.028 1.071 1.00 0.00 C ATOM 817 CG1 ILE A 61 -2.993 -5.283 0.411 1.00 0.00 C ATOM 818 CG2 ILE A 61 -3.706 -7.398 1.553 1.00 0.00 C ATOM 819 CD1 ILE A 61 -2.460 -4.140 1.245 1.00 0.00 C ATOM 0 H ILE A 61 -4.557 -4.784 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.579 -7.227 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.476 -5.440 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.184 -5.987 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.321 -4.897 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.859 -7.287 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.528 -7.886 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.410 -8.006 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.639 -3.656 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.255 -3.416 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.101 -4.523 2.200 1.00 0.00 H new ATOM 831 N ASN A 62 -6.718 -5.633 2.020 1.00 0.00 N ATOM 832 CA ASN A 62 -7.798 -4.998 2.752 1.00 0.00 C ATOM 833 C ASN A 62 -7.258 -4.323 4.006 1.00 0.00 C ATOM 834 O ASN A 62 -6.138 -4.597 4.435 1.00 0.00 O ATOM 835 CB ASN A 62 -8.867 -6.026 3.127 1.00 0.00 C ATOM 836 CG ASN A 62 -10.268 -5.504 2.887 1.00 0.00 C ATOM 837 OD1 ASN A 62 -10.627 -4.423 3.353 1.00 0.00 O ATOM 838 ND2 ASN A 62 -11.066 -6.267 2.158 1.00 0.00 N ATOM 0 H ASN A 62 -6.122 -6.233 2.590 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.252 -4.242 2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.715 -6.935 2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.756 -6.297 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.021 -5.966 1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.726 -7.156 1.791 1.00 0.00 H new ATOM 845 N ALA A 63 -8.073 -3.471 4.608 1.00 0.00 N ATOM 846 CA ALA A 63 -7.654 -2.688 5.767 1.00 0.00 C ATOM 847 C ALA A 63 -7.696 -3.511 7.055 1.00 0.00 C ATOM 848 O ALA A 63 -7.787 -2.962 8.153 1.00 0.00 O ATOM 849 CB ALA A 63 -8.524 -1.450 5.903 1.00 0.00 C ATOM 0 H ALA A 63 -9.035 -3.301 4.313 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.619 -2.385 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.203 -0.873 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.430 -0.839 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.564 -1.749 6.031 1.00 0.00 H new ATOM 855 N ALA A 64 -7.606 -4.827 6.918 1.00 0.00 N ATOM 856 CA ALA A 64 -7.657 -5.721 8.064 1.00 0.00 C ATOM 857 C ALA A 64 -6.310 -5.773 8.770 1.00 0.00 C ATOM 858 O ALA A 64 -6.239 -6.011 9.972 1.00 0.00 O ATOM 859 CB ALA A 64 -8.085 -7.116 7.631 1.00 0.00 C ATOM 0 H ALA A 64 -7.497 -5.299 6.021 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.395 -5.333 8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.118 -7.773 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.074 -7.068 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.370 -7.508 6.907 1.00 0.00 H new ATOM 865 N ASN A 65 -5.245 -5.537 8.019 1.00 0.00 N ATOM 866 CA ASN A 65 -3.901 -5.564 8.580 1.00 0.00 C ATOM 867 C ASN A 65 -3.282 -4.169 8.581 1.00 0.00 C ATOM 868 O ASN A 65 -2.200 -3.953 9.126 1.00 0.00 O ATOM 869 CB ASN A 65 -3.016 -6.544 7.803 1.00 0.00 C ATOM 870 CG ASN A 65 -2.740 -6.096 6.378 1.00 0.00 C ATOM 871 OD1 ASN A 65 -2.068 -5.093 6.149 1.00 0.00 O ATOM 872 ND2 ASN A 65 -3.246 -6.842 5.409 1.00 0.00 N ATOM 0 H ASN A 65 -5.284 -5.325 7.022 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.971 -5.904 9.613 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.069 -6.665 8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.497 -7.522 7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.083 -6.591 4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.799 -7.668 5.637 1.00 0.00 H new ATOM 879 N CYS A 66 -3.967 -3.231 7.945 1.00 0.00 N ATOM 880 CA CYS A 66 -3.529 -1.844 7.920 1.00 0.00 C ATOM 881 C CYS A 66 -3.951 -1.121 9.196 1.00 0.00 C ATOM 882 O CYS A 66 -5.128 -0.806 9.386 1.00 0.00 O ATOM 883 CB CYS A 66 -4.106 -1.129 6.697 1.00 0.00 C ATOM 884 SG CYS A 66 -3.760 -1.966 5.118 1.00 0.00 S ATOM 0 H CYS A 66 -4.834 -3.407 7.436 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.441 -1.830 7.859 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.185 -1.037 6.819 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.702 -0.117 6.656 1.00 0.00 H new ATOM 889 N VAL A 67 -2.984 -0.876 10.074 1.00 0.00 N ATOM 890 CA VAL A 67 -3.243 -0.165 11.319 1.00 0.00 C ATOM 891 C VAL A 67 -3.248 1.343 11.083 1.00 0.00 C ATOM 892 O VAL A 67 -3.718 2.120 11.916 1.00 0.00 O ATOM 893 CB VAL A 67 -2.201 -0.534 12.406 1.00 0.00 C ATOM 894 CG1 VAL A 67 -0.999 0.405 12.380 1.00 0.00 C ATOM 895 CG2 VAL A 67 -2.846 -0.542 13.783 1.00 0.00 C ATOM 0 H VAL A 67 -2.013 -1.160 9.945 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.227 -0.469 11.677 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.836 -1.537 12.184 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.292 0.113 13.157 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.513 0.347 11.406 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.332 1.427 12.559 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.099 -0.803 14.533 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.250 0.447 14.002 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.652 -1.275 13.803 1.00 0.00 H new ATOM 905 N ALA A 68 -2.725 1.751 9.937 1.00 0.00 N ATOM 906 CA ALA A 68 -2.668 3.155 9.580 1.00 0.00 C ATOM 907 C ALA A 68 -2.960 3.332 8.097 1.00 0.00 C ATOM 908 O ALA A 68 -2.155 3.981 7.401 1.00 0.00 O ATOM 909 CB ALA A 68 -1.310 3.742 9.936 1.00 0.00 C ATOM 910 OXT ALA A 68 -3.994 2.806 7.638 1.00 0.00 O ATOM 0 H ALA A 68 -2.332 1.123 9.236 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.428 3.691 10.148 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.286 4.796 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.141 3.643 11.008 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.529 3.208 9.394 1.00 0.00 H new TER 916 ALA A 68