USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 745 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 82 LYS NZ :NH3+ -164:sc= -2.99! (180deg=-3.55!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.37 K(o=-3.4,f=-4.2) USER MOD Set 2.1: A 36 THR OG1 : rot 150:sc= 0 USER MOD Set 2.2: A 65 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.53) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 35 ASN : amide:sc= -1.06 X(o=-1.4,f=-1.6!) USER MOD Set 3.3: A 38 ASN : amide:sc= -0.293 K(o=-1.4,f=-0.78) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.621 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 10:sc= 0.432 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -10:sc= 0.0984! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 147:sc= -0.635 USER MOD Single : A 29 SER OG : rot 27:sc= 0.388 USER MOD Single : A 30 SER OG : rot 70:sc= 1.21 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 90:sc= -0.781 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -124:sc= 0.0194 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.419 K(o=-0.42,f=-3.3!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -5.67! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 171:sc= 1.23 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 170:sc= 0 (180deg=-0.133) USER MOD Single : A 76 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 77 TYR OH : rot -28:sc= 1.44 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0808 X(o=-0.081,f=0) USER MOD Single : A 92 SER OG : rot 12:sc= 1.29 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -120:sc= -0.0267 (180deg=-0.732) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.441 -31.837 8.362 1.00 0.00 N ATOM 2 CA GLY A 1 26.268 -32.618 7.151 1.00 0.00 C ATOM 3 C GLY A 1 25.703 -31.799 6.008 1.00 0.00 C ATOM 4 O GLY A 1 26.296 -30.801 5.598 1.00 0.00 O ATOM 0 H1 GLY A 1 26.830 -32.442 9.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.096 -31.051 8.177 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.521 -31.457 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.229 -33.038 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.603 -33.457 7.356 1.00 0.00 H new ATOM 8 N SER A 2 24.554 -32.221 5.490 1.00 0.00 N ATOM 9 CA SER A 2 23.911 -31.521 4.384 1.00 0.00 C ATOM 10 C SER A 2 22.526 -31.024 4.786 1.00 0.00 C ATOM 11 O SER A 2 21.638 -31.816 5.101 1.00 0.00 O ATOM 12 CB SER A 2 23.802 -32.442 3.166 1.00 0.00 C ATOM 13 OG SER A 2 22.995 -33.571 3.451 1.00 0.00 O ATOM 0 H SER A 2 24.049 -33.044 5.818 1.00 0.00 H new ATOM 0 HA SER A 2 24.525 -30.658 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.378 -31.891 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.797 -32.769 2.863 1.00 0.00 H new ATOM 0 HG SER A 2 22.288 -33.317 4.080 1.00 0.00 H new ATOM 19 N SER A 3 22.350 -29.707 4.773 1.00 0.00 N ATOM 20 CA SER A 3 21.075 -29.102 5.140 1.00 0.00 C ATOM 21 C SER A 3 20.653 -28.059 4.110 1.00 0.00 C ATOM 22 O SER A 3 21.469 -27.580 3.324 1.00 0.00 O ATOM 23 CB SER A 3 21.171 -28.460 6.525 1.00 0.00 C ATOM 24 OG SER A 3 22.004 -27.314 6.499 1.00 0.00 O ATOM 0 H SER A 3 23.074 -29.038 4.512 1.00 0.00 H new ATOM 0 HA SER A 3 20.321 -29.888 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.175 -28.182 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.565 -29.184 7.238 1.00 0.00 H new ATOM 0 HG SER A 3 22.048 -26.921 7.396 1.00 0.00 H new ATOM 30 N GLY A 4 19.369 -27.711 4.122 1.00 0.00 N ATOM 31 CA GLY A 4 18.859 -26.726 3.186 1.00 0.00 C ATOM 32 C GLY A 4 17.369 -26.869 2.948 1.00 0.00 C ATOM 33 O GLY A 4 16.728 -27.763 3.502 1.00 0.00 O ATOM 0 H GLY A 4 18.674 -28.094 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.069 -25.726 3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.386 -26.824 2.237 1.00 0.00 H new ATOM 37 N SER A 5 16.815 -25.986 2.124 1.00 0.00 N ATOM 38 CA SER A 5 15.389 -26.014 1.819 1.00 0.00 C ATOM 39 C SER A 5 15.117 -25.425 0.438 1.00 0.00 C ATOM 40 O SER A 5 15.703 -24.411 0.058 1.00 0.00 O ATOM 41 CB SER A 5 14.604 -25.241 2.880 1.00 0.00 C ATOM 42 OG SER A 5 14.520 -25.976 4.088 1.00 0.00 O ATOM 0 H SER A 5 17.332 -25.242 1.655 1.00 0.00 H new ATOM 0 HA SER A 5 15.062 -27.054 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.087 -24.282 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.601 -25.027 2.511 1.00 0.00 H new ATOM 0 HG SER A 5 15.112 -26.756 4.038 1.00 0.00 H new ATOM 48 N SER A 6 14.224 -26.067 -0.307 1.00 0.00 N ATOM 49 CA SER A 6 13.876 -25.610 -1.647 1.00 0.00 C ATOM 50 C SER A 6 12.519 -24.912 -1.648 1.00 0.00 C ATOM 51 O SER A 6 11.821 -24.887 -0.635 1.00 0.00 O ATOM 52 CB SER A 6 13.856 -26.789 -2.623 1.00 0.00 C ATOM 53 OG SER A 6 15.171 -27.171 -2.987 1.00 0.00 O ATOM 0 H SER A 6 13.728 -26.906 -0.005 1.00 0.00 H new ATOM 0 HA SER A 6 14.634 -24.895 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.341 -27.635 -2.167 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.293 -26.517 -3.516 1.00 0.00 H new ATOM 0 HG SER A 6 15.132 -27.927 -3.609 1.00 0.00 H new ATOM 59 N GLY A 7 12.153 -24.345 -2.794 1.00 0.00 N ATOM 60 CA GLY A 7 10.882 -23.654 -2.906 1.00 0.00 C ATOM 61 C GLY A 7 10.949 -22.229 -2.393 1.00 0.00 C ATOM 62 O GLY A 7 11.450 -21.980 -1.297 1.00 0.00 O ATOM 0 H GLY A 7 12.714 -24.352 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.567 -23.647 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.123 -24.203 -2.348 1.00 0.00 H new ATOM 66 N ALA A 8 10.445 -21.291 -3.188 1.00 0.00 N ATOM 67 CA ALA A 8 10.450 -19.884 -2.808 1.00 0.00 C ATOM 68 C ALA A 8 9.036 -19.312 -2.803 1.00 0.00 C ATOM 69 O ALA A 8 8.171 -19.762 -3.553 1.00 0.00 O ATOM 70 CB ALA A 8 11.341 -19.087 -3.748 1.00 0.00 C ATOM 0 H ALA A 8 10.028 -21.480 -4.099 1.00 0.00 H new ATOM 0 HA ALA A 8 10.848 -19.807 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.335 -18.038 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.359 -19.473 -3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.968 -19.179 -4.768 1.00 0.00 H new ATOM 76 N GLY A 9 8.809 -18.316 -1.952 1.00 0.00 N ATOM 77 CA GLY A 9 7.498 -17.699 -1.865 1.00 0.00 C ATOM 78 C GLY A 9 6.787 -18.029 -0.567 1.00 0.00 C ATOM 79 O GLY A 9 6.103 -19.047 -0.468 1.00 0.00 O ATOM 0 H GLY A 9 9.509 -17.925 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.602 -16.618 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.887 -18.031 -2.705 1.00 0.00 H new ATOM 83 N ASP A 10 6.951 -17.167 0.430 1.00 0.00 N ATOM 84 CA ASP A 10 6.319 -17.371 1.729 1.00 0.00 C ATOM 85 C ASP A 10 5.599 -16.107 2.188 1.00 0.00 C ATOM 86 O ASP A 10 6.195 -15.200 2.769 1.00 0.00 O ATOM 87 CB ASP A 10 7.363 -17.784 2.768 1.00 0.00 C ATOM 88 CG ASP A 10 8.152 -19.006 2.341 1.00 0.00 C ATOM 89 OD1 ASP A 10 7.607 -20.126 2.430 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.315 -18.843 1.917 1.00 0.00 O ATOM 0 H ASP A 10 7.516 -16.320 0.364 1.00 0.00 H new ATOM 0 HA ASP A 10 5.584 -18.169 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.049 -16.954 2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.866 -17.989 3.716 1.00 0.00 H new ATOM 95 N PRO A 11 4.286 -16.044 1.922 1.00 0.00 N ATOM 96 CA PRO A 11 3.456 -14.896 2.298 1.00 0.00 C ATOM 97 C PRO A 11 3.254 -14.797 3.807 1.00 0.00 C ATOM 98 O PRO A 11 3.242 -13.703 4.370 1.00 0.00 O ATOM 99 CB PRO A 11 2.124 -15.177 1.598 1.00 0.00 C ATOM 100 CG PRO A 11 2.085 -16.657 1.438 1.00 0.00 C ATOM 101 CD PRO A 11 3.510 -17.089 1.233 1.00 0.00 C ATOM 0 HA PRO A 11 3.914 -13.950 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.282 -14.821 2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.070 -14.673 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.656 -17.134 2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.465 -16.941 0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.696 -18.075 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.764 -17.146 0.175 1.00 0.00 H new ATOM 109 N GLY A 12 3.097 -15.947 4.455 1.00 0.00 N ATOM 110 CA GLY A 12 2.899 -15.966 5.893 1.00 0.00 C ATOM 111 C GLY A 12 3.947 -15.160 6.634 1.00 0.00 C ATOM 112 O GLY A 12 3.675 -14.604 7.699 1.00 0.00 O ATOM 0 H GLY A 12 3.103 -16.865 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.910 -15.571 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.922 -16.997 6.246 1.00 0.00 H new ATOM 116 N LEU A 13 5.149 -15.097 6.072 1.00 0.00 N ATOM 117 CA LEU A 13 6.243 -14.354 6.687 1.00 0.00 C ATOM 118 C LEU A 13 6.327 -12.940 6.121 1.00 0.00 C ATOM 119 O LEU A 13 7.383 -12.308 6.157 1.00 0.00 O ATOM 120 CB LEU A 13 7.569 -15.084 6.466 1.00 0.00 C ATOM 121 CG LEU A 13 7.577 -16.577 6.796 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.968 -17.159 6.602 1.00 0.00 C ATOM 123 CD2 LEU A 13 7.092 -16.811 8.219 1.00 0.00 C ATOM 0 H LEU A 13 5.391 -15.552 5.191 1.00 0.00 H new ATOM 0 HA LEU A 13 6.047 -14.286 7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.858 -14.962 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.335 -14.595 7.069 1.00 0.00 H new ATOM 0 HG LEU A 13 6.895 -17.084 6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.954 -18.222 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.277 -17.025 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.671 -16.648 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.104 -17.879 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.748 -16.291 8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.076 -16.431 8.324 1.00 0.00 H new ATOM 135 N VAL A 14 5.207 -12.449 5.601 1.00 0.00 N ATOM 136 CA VAL A 14 5.153 -11.109 5.030 1.00 0.00 C ATOM 137 C VAL A 14 4.023 -10.293 5.648 1.00 0.00 C ATOM 138 O VAL A 14 2.877 -10.741 5.701 1.00 0.00 O ATOM 139 CB VAL A 14 4.960 -11.156 3.502 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.775 -9.754 2.944 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.139 -11.852 2.839 1.00 0.00 C ATOM 0 H VAL A 14 4.325 -12.959 5.563 1.00 0.00 H new ATOM 0 HA VAL A 14 6.107 -10.632 5.254 1.00 0.00 H new ATOM 0 HB VAL A 14 4.059 -11.729 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.640 -9.807 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.896 -9.295 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.656 -9.153 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.987 -11.877 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.056 -11.308 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.220 -12.871 3.218 1.00 0.00 H new ATOM 151 N SER A 15 4.353 -9.093 6.115 1.00 0.00 N ATOM 152 CA SER A 15 3.366 -8.216 6.734 1.00 0.00 C ATOM 153 C SER A 15 3.640 -6.757 6.381 1.00 0.00 C ATOM 154 O SER A 15 4.740 -6.405 5.957 1.00 0.00 O ATOM 155 CB SER A 15 3.374 -8.395 8.253 1.00 0.00 C ATOM 156 OG SER A 15 4.677 -8.220 8.781 1.00 0.00 O ATOM 0 H SER A 15 5.296 -8.706 6.076 1.00 0.00 H new ATOM 0 HA SER A 15 2.383 -8.487 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.694 -7.677 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.006 -9.389 8.507 1.00 0.00 H new ATOM 0 HG SER A 15 4.654 -8.338 9.754 1.00 0.00 H new ATOM 162 N ALA A 16 2.630 -5.912 6.560 1.00 0.00 N ATOM 163 CA ALA A 16 2.761 -4.491 6.263 1.00 0.00 C ATOM 164 C ALA A 16 2.326 -3.640 7.451 1.00 0.00 C ATOM 165 O ALA A 16 1.399 -3.998 8.178 1.00 0.00 O ATOM 166 CB ALA A 16 1.947 -4.132 5.029 1.00 0.00 C ATOM 0 H ALA A 16 1.712 -6.187 6.909 1.00 0.00 H new ATOM 0 HA ALA A 16 3.812 -4.282 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.054 -3.068 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.306 -4.708 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.897 -4.363 5.206 1.00 0.00 H new ATOM 172 N TYR A 17 3.002 -2.513 7.644 1.00 0.00 N ATOM 173 CA TYR A 17 2.687 -1.612 8.747 1.00 0.00 C ATOM 174 C TYR A 17 2.996 -0.165 8.373 1.00 0.00 C ATOM 175 O TYR A 17 3.923 0.107 7.612 1.00 0.00 O ATOM 176 CB TYR A 17 3.476 -2.007 9.996 1.00 0.00 C ATOM 177 CG TYR A 17 4.947 -2.241 9.736 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.804 -1.179 9.475 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.479 -3.525 9.749 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.148 -1.389 9.235 1.00 0.00 C ATOM 181 CE2 TYR A 17 6.822 -3.743 9.512 1.00 0.00 C ATOM 182 CZ TYR A 17 7.652 -2.672 9.255 1.00 0.00 C ATOM 183 OH TYR A 17 8.991 -2.886 9.017 1.00 0.00 O ATOM 0 H TYR A 17 3.771 -2.201 7.051 1.00 0.00 H new ATOM 0 HA TYR A 17 1.621 -1.694 8.958 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.369 -1.223 10.746 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.042 -2.913 10.418 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.413 -0.172 9.460 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.831 -4.366 9.948 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.801 -0.553 9.033 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.220 -4.747 9.528 1.00 0.00 H new ATOM 0 HH TYR A 17 9.403 -2.056 8.699 1.00 0.00 H new ATOM 193 N GLY A 18 2.211 0.760 8.916 1.00 0.00 N ATOM 194 CA GLY A 18 2.415 2.168 8.630 1.00 0.00 C ATOM 195 C GLY A 18 1.135 2.973 8.736 1.00 0.00 C ATOM 196 O GLY A 18 0.032 2.426 8.754 1.00 0.00 O ATOM 0 H GLY A 18 1.437 0.559 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.153 2.573 9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.826 2.276 7.626 1.00 0.00 H new ATOM 200 N PRO A 19 1.274 4.305 8.811 1.00 0.00 N ATOM 201 CA PRO A 19 0.130 5.215 8.918 1.00 0.00 C ATOM 202 C PRO A 19 -0.688 5.274 7.632 1.00 0.00 C ATOM 203 O PRO A 19 -1.856 5.660 7.645 1.00 0.00 O ATOM 204 CB PRO A 19 0.781 6.572 9.200 1.00 0.00 C ATOM 205 CG PRO A 19 2.150 6.462 8.623 1.00 0.00 C ATOM 206 CD PRO A 19 2.558 5.025 8.795 1.00 0.00 C ATOM 0 HA PRO A 19 -0.573 4.896 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.220 7.384 8.737 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.818 6.779 10.270 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.154 6.745 7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.844 7.129 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.197 4.688 7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.115 4.873 9.719 1.00 0.00 H new ATOM 214 N GLY A 20 -0.065 4.888 6.523 1.00 0.00 N ATOM 215 CA GLY A 20 -0.751 4.904 5.244 1.00 0.00 C ATOM 216 C GLY A 20 -1.765 3.784 5.115 1.00 0.00 C ATOM 217 O GLY A 20 -2.853 3.981 4.574 1.00 0.00 O ATOM 0 H GLY A 20 0.902 4.565 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.255 5.862 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.018 4.821 4.441 1.00 0.00 H new ATOM 221 N LEU A 21 -1.407 2.605 5.611 1.00 0.00 N ATOM 222 CA LEU A 21 -2.293 1.448 5.548 1.00 0.00 C ATOM 223 C LEU A 21 -3.510 1.644 6.447 1.00 0.00 C ATOM 224 O LEU A 21 -4.635 1.329 6.062 1.00 0.00 O ATOM 225 CB LEU A 21 -1.540 0.181 5.959 1.00 0.00 C ATOM 226 CG LEU A 21 -0.224 -0.084 5.227 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.743 -0.839 6.125 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.475 -0.858 3.941 1.00 0.00 C ATOM 0 H LEU A 21 -0.510 2.425 6.061 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.638 1.341 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.334 0.236 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.197 -0.675 5.805 1.00 0.00 H new ATOM 0 HG LEU A 21 0.225 0.875 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.674 -1.019 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.948 -0.248 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.301 -1.793 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.473 -1.037 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.947 -1.812 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.131 -0.280 3.290 1.00 0.00 H new ATOM 240 N GLU A 22 -3.275 2.168 7.646 1.00 0.00 N ATOM 241 CA GLU A 22 -4.352 2.407 8.599 1.00 0.00 C ATOM 242 C GLU A 22 -5.157 3.644 8.212 1.00 0.00 C ATOM 243 O GLU A 22 -6.327 3.774 8.569 1.00 0.00 O ATOM 244 CB GLU A 22 -3.787 2.575 10.011 1.00 0.00 C ATOM 245 CG GLU A 22 -3.376 1.265 10.662 1.00 0.00 C ATOM 246 CD GLU A 22 -4.549 0.524 11.274 1.00 0.00 C ATOM 247 OE1 GLU A 22 -5.472 0.149 10.521 1.00 0.00 O ATOM 248 OE2 GLU A 22 -4.545 0.320 12.506 1.00 0.00 O ATOM 0 H GLU A 22 -2.349 2.435 7.980 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.015 1.542 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.923 3.238 9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.534 3.063 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.897 0.628 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.634 1.465 11.435 1.00 0.00 H new ATOM 255 N GLY A 23 -4.520 4.551 7.477 1.00 0.00 N ATOM 256 CA GLY A 23 -5.190 5.766 7.053 1.00 0.00 C ATOM 257 C GLY A 23 -4.599 7.008 7.692 1.00 0.00 C ATOM 258 O GLY A 23 -3.818 6.916 8.638 1.00 0.00 O ATOM 0 H GLY A 23 -3.552 4.466 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.125 5.853 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.248 5.700 7.305 1.00 0.00 H new ATOM 262 N GLY A 24 -4.971 8.173 7.172 1.00 0.00 N ATOM 263 CA GLY A 24 -4.462 9.422 7.709 1.00 0.00 C ATOM 264 C GLY A 24 -5.356 10.601 7.383 1.00 0.00 C ATOM 265 O GLY A 24 -6.471 10.706 7.895 1.00 0.00 O ATOM 0 H GLY A 24 -5.616 8.275 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.362 9.334 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.464 9.605 7.310 1.00 0.00 H new ATOM 269 N THR A 25 -4.867 11.494 6.528 1.00 0.00 N ATOM 270 CA THR A 25 -5.628 12.674 6.136 1.00 0.00 C ATOM 271 C THR A 25 -5.692 12.807 4.618 1.00 0.00 C ATOM 272 O THR A 25 -4.884 12.220 3.898 1.00 0.00 O ATOM 273 CB THR A 25 -5.017 13.958 6.727 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.189 13.973 8.148 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.664 15.194 6.119 1.00 0.00 C ATOM 0 H THR A 25 -3.947 11.422 6.094 1.00 0.00 H new ATOM 0 HA THR A 25 -6.636 12.546 6.530 1.00 0.00 H new ATOM 0 HB THR A 25 -3.953 13.971 6.491 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.796 14.792 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.217 16.089 6.551 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.506 15.194 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.734 15.185 6.329 1.00 0.00 H new ATOM 283 N THR A 26 -6.658 13.583 4.138 1.00 0.00 N ATOM 284 CA THR A 26 -6.829 13.793 2.706 1.00 0.00 C ATOM 285 C THR A 26 -5.754 14.723 2.154 1.00 0.00 C ATOM 286 O THR A 26 -5.298 15.636 2.841 1.00 0.00 O ATOM 287 CB THR A 26 -8.215 14.383 2.385 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.537 15.416 3.324 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.285 13.302 2.425 1.00 0.00 C ATOM 0 H THR A 26 -7.334 14.077 4.720 1.00 0.00 H new ATOM 0 HA THR A 26 -6.740 12.816 2.232 1.00 0.00 H new ATOM 0 HB THR A 26 -8.183 14.804 1.380 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.069 16.108 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.255 13.742 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.052 12.532 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.315 12.856 3.419 1.00 0.00 H new ATOM 297 N GLY A 27 -5.353 14.485 0.909 1.00 0.00 N ATOM 298 CA GLY A 27 -4.335 15.311 0.287 1.00 0.00 C ATOM 299 C GLY A 27 -3.075 15.407 1.124 1.00 0.00 C ATOM 300 O GLY A 27 -2.398 16.436 1.125 1.00 0.00 O ATOM 0 H GLY A 27 -5.715 13.735 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.087 14.901 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.735 16.312 0.121 1.00 0.00 H new ATOM 304 N VAL A 28 -2.759 14.333 1.841 1.00 0.00 N ATOM 305 CA VAL A 28 -1.572 14.301 2.687 1.00 0.00 C ATOM 306 C VAL A 28 -0.726 13.065 2.401 1.00 0.00 C ATOM 307 O VAL A 28 -1.185 11.935 2.565 1.00 0.00 O ATOM 308 CB VAL A 28 -1.948 14.317 4.181 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.718 14.076 5.044 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.616 15.634 4.548 1.00 0.00 C ATOM 0 H VAL A 28 -3.309 13.474 1.853 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.994 15.195 2.455 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.658 13.511 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.003 14.091 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.286 13.106 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.017 14.859 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.875 15.628 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.931 16.458 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.521 15.761 3.954 1.00 0.00 H new ATOM 320 N SER A 29 0.512 13.289 1.973 1.00 0.00 N ATOM 321 CA SER A 29 1.422 12.194 1.660 1.00 0.00 C ATOM 322 C SER A 29 1.325 11.090 2.709 1.00 0.00 C ATOM 323 O SER A 29 1.614 11.310 3.885 1.00 0.00 O ATOM 324 CB SER A 29 2.861 12.707 1.575 1.00 0.00 C ATOM 325 OG SER A 29 3.290 13.233 2.819 1.00 0.00 O ATOM 0 H SER A 29 0.908 14.219 1.835 1.00 0.00 H new ATOM 0 HA SER A 29 1.134 11.780 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.522 11.895 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.931 13.478 0.807 1.00 0.00 H new ATOM 0 HG SER A 29 2.795 12.800 3.545 1.00 0.00 H new ATOM 331 N SER A 30 0.916 9.903 2.273 1.00 0.00 N ATOM 332 CA SER A 30 0.777 8.765 3.174 1.00 0.00 C ATOM 333 C SER A 30 1.452 7.526 2.594 1.00 0.00 C ATOM 334 O SER A 30 1.110 7.075 1.501 1.00 0.00 O ATOM 335 CB SER A 30 -0.702 8.476 3.440 1.00 0.00 C ATOM 336 OG SER A 30 -1.389 9.653 3.830 1.00 0.00 O ATOM 0 H SER A 30 0.675 9.704 1.302 1.00 0.00 H new ATOM 0 HA SER A 30 1.266 9.017 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.162 8.063 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.794 7.722 4.221 1.00 0.00 H new ATOM 0 HG SER A 30 -1.457 10.261 3.065 1.00 0.00 H new ATOM 342 N GLU A 31 2.413 6.982 3.334 1.00 0.00 N ATOM 343 CA GLU A 31 3.137 5.796 2.892 1.00 0.00 C ATOM 344 C GLU A 31 3.133 4.721 3.975 1.00 0.00 C ATOM 345 O GLU A 31 2.618 4.932 5.073 1.00 0.00 O ATOM 346 CB GLU A 31 4.577 6.158 2.523 1.00 0.00 C ATOM 347 CG GLU A 31 5.434 6.538 3.719 1.00 0.00 C ATOM 348 CD GLU A 31 4.847 7.686 4.516 1.00 0.00 C ATOM 349 OE1 GLU A 31 5.129 8.853 4.171 1.00 0.00 O ATOM 350 OE2 GLU A 31 4.106 7.419 5.485 1.00 0.00 O ATOM 0 H GLU A 31 2.708 7.343 4.241 1.00 0.00 H new ATOM 0 HA GLU A 31 2.632 5.401 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.036 5.312 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.565 6.988 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.549 5.671 4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.431 6.812 3.374 1.00 0.00 H new ATOM 357 N PHE A 32 3.710 3.567 3.657 1.00 0.00 N ATOM 358 CA PHE A 32 3.772 2.457 4.601 1.00 0.00 C ATOM 359 C PHE A 32 4.944 1.535 4.280 1.00 0.00 C ATOM 360 O PHE A 32 5.480 1.557 3.172 1.00 0.00 O ATOM 361 CB PHE A 32 2.463 1.665 4.576 1.00 0.00 C ATOM 362 CG PHE A 32 2.041 1.248 3.196 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.461 0.040 2.664 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.224 2.066 2.432 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.073 -0.346 1.394 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.833 1.684 1.162 1.00 0.00 C ATOM 367 CZ PHE A 32 1.259 0.478 0.642 1.00 0.00 C ATOM 0 H PHE A 32 4.141 3.376 2.753 1.00 0.00 H new ATOM 0 HA PHE A 32 3.920 2.869 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.573 0.776 5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.673 2.270 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.099 -0.608 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.889 3.011 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.406 -1.291 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.194 2.329 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.956 0.180 -0.351 1.00 0.00 H new ATOM 377 N ILE A 33 5.337 0.725 5.258 1.00 0.00 N ATOM 378 CA ILE A 33 6.445 -0.205 5.080 1.00 0.00 C ATOM 379 C ILE A 33 5.952 -1.647 5.048 1.00 0.00 C ATOM 380 O ILE A 33 5.022 -2.013 5.766 1.00 0.00 O ATOM 381 CB ILE A 33 7.490 -0.056 6.202 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.195 1.298 6.097 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.501 -1.192 6.137 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.321 1.472 7.091 1.00 0.00 C ATOM 0 H ILE A 33 4.904 0.694 6.181 1.00 0.00 H new ATOM 0 HA ILE A 33 6.911 0.038 4.125 1.00 0.00 H new ATOM 0 HB ILE A 33 6.979 -0.104 7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.591 1.415 5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.463 2.092 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.233 -1.074 6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.986 -2.145 6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.009 -1.172 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.775 2.454 6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.928 1.387 8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.073 0.700 6.928 1.00 0.00 H new ATOM 396 N VAL A 34 6.583 -2.464 4.210 1.00 0.00 N ATOM 397 CA VAL A 34 6.211 -3.868 4.086 1.00 0.00 C ATOM 398 C VAL A 34 7.372 -4.780 4.467 1.00 0.00 C ATOM 399 O VAL A 34 8.344 -4.908 3.723 1.00 0.00 O ATOM 400 CB VAL A 34 5.758 -4.204 2.653 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.403 -5.678 2.536 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.580 -3.330 2.248 1.00 0.00 C ATOM 0 H VAL A 34 7.354 -2.177 3.607 1.00 0.00 H new ATOM 0 HA VAL A 34 5.380 -4.037 4.771 1.00 0.00 H new ATOM 0 HB VAL A 34 6.584 -3.999 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.085 -5.896 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.276 -6.283 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.593 -5.913 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.273 -3.581 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.748 -3.501 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.874 -2.281 2.289 1.00 0.00 H new ATOM 412 N ASN A 35 7.263 -5.413 5.630 1.00 0.00 N ATOM 413 CA ASN A 35 8.304 -6.314 6.111 1.00 0.00 C ATOM 414 C ASN A 35 8.326 -7.604 5.296 1.00 0.00 C ATOM 415 O ASN A 35 7.522 -8.509 5.522 1.00 0.00 O ATOM 416 CB ASN A 35 8.086 -6.636 7.590 1.00 0.00 C ATOM 417 CG ASN A 35 8.728 -7.949 7.997 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.111 -9.010 7.904 1.00 0.00 O ATOM 419 ND2 ASN A 35 9.974 -7.882 8.452 1.00 0.00 N ATOM 0 H ASN A 35 6.464 -5.319 6.257 1.00 0.00 H new ATOM 0 HA ASN A 35 9.265 -5.814 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.496 -5.830 8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.016 -6.678 7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.458 -8.732 8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.447 -6.980 8.512 1.00 0.00 H new ATOM 426 N THR A 36 9.253 -7.681 4.346 1.00 0.00 N ATOM 427 CA THR A 36 9.380 -8.859 3.496 1.00 0.00 C ATOM 428 C THR A 36 10.765 -9.481 3.623 1.00 0.00 C ATOM 429 O THR A 36 11.215 -10.208 2.736 1.00 0.00 O ATOM 430 CB THR A 36 9.117 -8.516 2.018 1.00 0.00 C ATOM 431 OG1 THR A 36 10.005 -7.478 1.590 1.00 0.00 O ATOM 432 CG2 THR A 36 7.676 -8.074 1.813 1.00 0.00 C ATOM 0 H THR A 36 9.927 -6.942 4.146 1.00 0.00 H new ATOM 0 HA THR A 36 8.631 -9.575 3.834 1.00 0.00 H new ATOM 0 HB THR A 36 9.294 -9.412 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.192 -7.581 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.514 -7.837 0.761 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.003 -8.878 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.477 -7.190 2.419 1.00 0.00 H new ATOM 440 N LEU A 37 11.439 -9.194 4.732 1.00 0.00 N ATOM 441 CA LEU A 37 12.775 -9.727 4.976 1.00 0.00 C ATOM 442 C LEU A 37 12.707 -11.187 5.410 1.00 0.00 C ATOM 443 O LEU A 37 13.515 -12.010 4.982 1.00 0.00 O ATOM 444 CB LEU A 37 13.489 -8.897 6.044 1.00 0.00 C ATOM 445 CG LEU A 37 13.530 -7.388 5.805 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.862 -6.652 7.095 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.539 -7.046 4.719 1.00 0.00 C ATOM 0 H LEU A 37 11.082 -8.595 5.476 1.00 0.00 H new ATOM 0 HA LEU A 37 13.338 -9.670 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.003 -9.080 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.513 -9.259 6.132 1.00 0.00 H new ATOM 0 HG LEU A 37 12.544 -7.066 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.887 -5.579 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.102 -6.871 7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.836 -6.979 7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.554 -5.967 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.530 -7.382 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.257 -7.543 3.791 1.00 0.00 H new ATOM 459 N ASN A 38 11.737 -11.502 6.262 1.00 0.00 N ATOM 460 CA ASN A 38 11.563 -12.864 6.753 1.00 0.00 C ATOM 461 C ASN A 38 11.306 -13.830 5.600 1.00 0.00 C ATOM 462 O ASN A 38 11.809 -14.953 5.594 1.00 0.00 O ATOM 463 CB ASN A 38 10.405 -12.924 7.752 1.00 0.00 C ATOM 464 CG ASN A 38 10.791 -12.390 9.118 1.00 0.00 C ATOM 465 OD1 ASN A 38 11.289 -13.129 9.967 1.00 0.00 O ATOM 466 ND2 ASN A 38 10.561 -11.101 9.335 1.00 0.00 N ATOM 0 H ASN A 38 11.059 -10.833 6.627 1.00 0.00 H new ATOM 0 HA ASN A 38 12.483 -13.163 7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.564 -12.349 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.067 -13.956 7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.799 -10.685 10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.146 -10.526 8.601 1.00 0.00 H new ATOM 473 N ALA A 39 10.520 -13.383 4.626 1.00 0.00 N ATOM 474 CA ALA A 39 10.198 -14.206 3.467 1.00 0.00 C ATOM 475 C ALA A 39 11.460 -14.601 2.707 1.00 0.00 C ATOM 476 O ALA A 39 11.667 -15.773 2.395 1.00 0.00 O ATOM 477 CB ALA A 39 9.235 -13.469 2.548 1.00 0.00 C ATOM 0 H ALA A 39 10.095 -12.456 4.617 1.00 0.00 H new ATOM 0 HA ALA A 39 9.718 -15.118 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.003 -14.095 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.317 -13.242 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.694 -12.541 2.209 1.00 0.00 H new ATOM 483 N GLY A 40 12.301 -13.614 2.411 1.00 0.00 N ATOM 484 CA GLY A 40 13.531 -13.880 1.689 1.00 0.00 C ATOM 485 C GLY A 40 13.515 -13.309 0.285 1.00 0.00 C ATOM 486 O GLY A 40 14.097 -12.255 0.029 1.00 0.00 O ATOM 0 H GLY A 40 12.152 -12.636 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.371 -13.457 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.693 -14.957 1.638 1.00 0.00 H new ATOM 490 N SER A 41 12.847 -14.006 -0.628 1.00 0.00 N ATOM 491 CA SER A 41 12.761 -13.565 -2.016 1.00 0.00 C ATOM 492 C SER A 41 11.402 -13.912 -2.614 1.00 0.00 C ATOM 493 O SER A 41 10.852 -14.983 -2.355 1.00 0.00 O ATOM 494 CB SER A 41 13.875 -14.205 -2.846 1.00 0.00 C ATOM 495 OG SER A 41 13.593 -15.568 -3.113 1.00 0.00 O ATOM 0 H SER A 41 12.357 -14.879 -0.432 1.00 0.00 H new ATOM 0 HA SER A 41 12.880 -12.482 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.990 -13.663 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.822 -14.124 -2.313 1.00 0.00 H new ATOM 0 HG SER A 41 14.319 -15.954 -3.646 1.00 0.00 H new ATOM 501 N GLY A 42 10.863 -12.998 -3.415 1.00 0.00 N ATOM 502 CA GLY A 42 9.572 -13.225 -4.038 1.00 0.00 C ATOM 503 C GLY A 42 9.030 -11.984 -4.717 1.00 0.00 C ATOM 504 O GLY A 42 9.675 -10.936 -4.717 1.00 0.00 O ATOM 0 H GLY A 42 11.298 -12.104 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.662 -14.027 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.862 -13.562 -3.283 1.00 0.00 H new ATOM 508 N ALA A 43 7.841 -12.101 -5.299 1.00 0.00 N ATOM 509 CA ALA A 43 7.212 -10.979 -5.985 1.00 0.00 C ATOM 510 C ALA A 43 6.164 -10.313 -5.100 1.00 0.00 C ATOM 511 O ALA A 43 5.404 -10.987 -4.404 1.00 0.00 O ATOM 512 CB ALA A 43 6.584 -11.444 -7.291 1.00 0.00 C ATOM 0 H ALA A 43 7.294 -12.962 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 43 7.984 -10.242 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.118 -10.596 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.355 -11.868 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.829 -12.202 -7.082 1.00 0.00 H new ATOM 518 N LEU A 44 6.129 -8.985 -5.131 1.00 0.00 N ATOM 519 CA LEU A 44 5.174 -8.226 -4.331 1.00 0.00 C ATOM 520 C LEU A 44 4.177 -7.492 -5.223 1.00 0.00 C ATOM 521 O LEU A 44 4.528 -7.019 -6.304 1.00 0.00 O ATOM 522 CB LEU A 44 5.909 -7.226 -3.437 1.00 0.00 C ATOM 523 CG LEU A 44 5.034 -6.191 -2.728 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.371 -6.801 -1.503 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.860 -4.972 -2.339 1.00 0.00 C ATOM 0 H LEU A 44 6.751 -8.412 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 44 4.624 -8.928 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.463 -7.783 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.643 -6.697 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 44 4.252 -5.871 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.753 -6.050 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.747 -7.642 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.137 -7.150 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.222 -4.246 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.663 -5.276 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.287 -4.521 -3.235 1.00 0.00 H new ATOM 537 N SER A 45 2.934 -7.400 -4.761 1.00 0.00 N ATOM 538 CA SER A 45 1.886 -6.725 -5.518 1.00 0.00 C ATOM 539 C SER A 45 1.124 -5.744 -4.633 1.00 0.00 C ATOM 540 O SER A 45 0.322 -6.144 -3.789 1.00 0.00 O ATOM 541 CB SER A 45 0.919 -7.749 -6.115 1.00 0.00 C ATOM 542 OG SER A 45 1.402 -8.247 -7.351 1.00 0.00 O ATOM 0 H SER A 45 2.628 -7.784 -3.867 1.00 0.00 H new ATOM 0 HA SER A 45 2.357 -6.167 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.781 -8.574 -5.416 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.058 -7.289 -6.262 1.00 0.00 H new ATOM 0 HG SER A 45 0.767 -8.901 -7.711 1.00 0.00 H new ATOM 548 N VAL A 46 1.379 -4.455 -4.833 1.00 0.00 N ATOM 549 CA VAL A 46 0.717 -3.414 -4.055 1.00 0.00 C ATOM 550 C VAL A 46 -0.251 -2.614 -4.919 1.00 0.00 C ATOM 551 O VAL A 46 0.087 -2.198 -6.028 1.00 0.00 O ATOM 552 CB VAL A 46 1.739 -2.452 -3.421 1.00 0.00 C ATOM 553 CG1 VAL A 46 1.028 -1.290 -2.742 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.628 -3.193 -2.435 1.00 0.00 C ATOM 0 H VAL A 46 2.040 -4.106 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 46 0.162 -3.916 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 46 2.371 -2.048 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.766 -0.621 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.438 -0.744 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.370 -1.672 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.344 -2.498 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.014 -3.627 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.165 -3.987 -2.954 1.00 0.00 H new ATOM 564 N THR A 47 -1.458 -2.400 -4.404 1.00 0.00 N ATOM 565 CA THR A 47 -2.476 -1.650 -5.128 1.00 0.00 C ATOM 566 C THR A 47 -3.436 -0.958 -4.167 1.00 0.00 C ATOM 567 O THR A 47 -3.496 -1.296 -2.985 1.00 0.00 O ATOM 568 CB THR A 47 -3.281 -2.563 -6.072 1.00 0.00 C ATOM 569 OG1 THR A 47 -3.878 -3.631 -5.328 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.390 -3.135 -7.163 1.00 0.00 C ATOM 0 H THR A 47 -1.754 -2.736 -3.488 1.00 0.00 H new ATOM 0 HA THR A 47 -1.954 -0.898 -5.720 1.00 0.00 H new ATOM 0 HB THR A 47 -4.063 -1.965 -6.541 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.766 -3.356 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.981 -3.776 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.960 -2.320 -7.746 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.589 -3.719 -6.710 1.00 0.00 H new ATOM 578 N ILE A 48 -4.184 0.012 -4.683 1.00 0.00 N ATOM 579 CA ILE A 48 -5.143 0.750 -3.870 1.00 0.00 C ATOM 580 C ILE A 48 -6.483 0.884 -4.586 1.00 0.00 C ATOM 581 O ILE A 48 -6.537 0.966 -5.813 1.00 0.00 O ATOM 582 CB ILE A 48 -4.619 2.155 -3.518 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.353 2.052 -2.665 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.690 2.953 -2.792 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.472 3.279 -2.740 1.00 0.00 C ATOM 0 H ILE A 48 -4.144 0.305 -5.659 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.281 0.181 -2.950 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.370 2.676 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.637 1.882 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.779 1.182 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.304 3.943 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.567 3.051 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.968 2.437 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.594 3.135 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.157 3.439 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.029 4.149 -2.392 1.00 0.00 H new ATOM 597 N ASP A 49 -7.561 0.907 -3.811 1.00 0.00 N ATOM 598 CA ASP A 49 -8.902 1.035 -4.370 1.00 0.00 C ATOM 599 C ASP A 49 -9.788 1.888 -3.469 1.00 0.00 C ATOM 600 O ASP A 49 -10.151 1.475 -2.368 1.00 0.00 O ATOM 601 CB ASP A 49 -9.530 -0.346 -4.565 1.00 0.00 C ATOM 602 CG ASP A 49 -10.506 -0.380 -5.725 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.176 0.172 -6.795 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.599 -0.961 -5.562 1.00 0.00 O ATOM 0 H ASP A 49 -7.533 0.839 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.819 1.528 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.742 -1.079 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.046 -0.639 -3.651 1.00 0.00 H new ATOM 609 N GLY A 50 -10.133 3.081 -3.943 1.00 0.00 N ATOM 610 CA GLY A 50 -10.973 3.974 -3.166 1.00 0.00 C ATOM 611 C GLY A 50 -11.969 4.726 -4.026 1.00 0.00 C ATOM 612 O GLY A 50 -12.196 4.391 -5.188 1.00 0.00 O ATOM 0 H GLY A 50 -9.846 3.445 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.510 3.399 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.345 4.688 -2.634 1.00 0.00 H new ATOM 616 N PRO A 51 -12.586 5.769 -3.449 1.00 0.00 N ATOM 617 CA PRO A 51 -13.575 6.591 -4.152 1.00 0.00 C ATOM 618 C PRO A 51 -12.946 7.444 -5.248 1.00 0.00 C ATOM 619 O PRO A 51 -13.649 8.063 -6.046 1.00 0.00 O ATOM 620 CB PRO A 51 -14.148 7.480 -3.045 1.00 0.00 C ATOM 621 CG PRO A 51 -13.069 7.553 -2.021 1.00 0.00 C ATOM 622 CD PRO A 51 -12.364 6.225 -2.067 1.00 0.00 C ATOM 0 HA PRO A 51 -14.324 5.983 -4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.402 8.470 -3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.061 7.055 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.379 8.369 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.483 7.741 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.302 6.326 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.778 5.525 -1.341 1.00 0.00 H new ATOM 630 N SER A 52 -11.618 7.472 -5.281 1.00 0.00 N ATOM 631 CA SER A 52 -10.894 8.252 -6.278 1.00 0.00 C ATOM 632 C SER A 52 -9.489 7.695 -6.489 1.00 0.00 C ATOM 633 O SER A 52 -8.851 7.217 -5.551 1.00 0.00 O ATOM 634 CB SER A 52 -10.814 9.718 -5.849 1.00 0.00 C ATOM 635 OG SER A 52 -10.692 10.572 -6.974 1.00 0.00 O ATOM 0 H SER A 52 -11.021 6.963 -4.629 1.00 0.00 H new ATOM 0 HA SER A 52 -11.438 8.185 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.706 9.984 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.961 9.860 -5.186 1.00 0.00 H new ATOM 0 HG SER A 52 -10.644 11.504 -6.674 1.00 0.00 H new ATOM 641 N LYS A 53 -9.013 7.760 -7.728 1.00 0.00 N ATOM 642 CA LYS A 53 -7.684 7.265 -8.064 1.00 0.00 C ATOM 643 C LYS A 53 -6.616 7.957 -7.224 1.00 0.00 C ATOM 644 O LYS A 53 -6.622 9.180 -7.080 1.00 0.00 O ATOM 645 CB LYS A 53 -7.398 7.482 -9.552 1.00 0.00 C ATOM 646 CG LYS A 53 -6.009 7.037 -9.975 1.00 0.00 C ATOM 647 CD LYS A 53 -5.928 5.527 -10.124 1.00 0.00 C ATOM 648 CE LYS A 53 -4.581 5.093 -10.682 1.00 0.00 C ATOM 649 NZ LYS A 53 -3.493 5.232 -9.676 1.00 0.00 N ATOM 0 H LYS A 53 -9.529 8.151 -8.516 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.656 6.197 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.139 6.939 -10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.519 8.540 -9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.746 7.511 -10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.279 7.370 -9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.090 5.056 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.724 5.182 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.641 4.055 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.342 5.692 -11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.738 5.834 -10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.874 5.666 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.106 4.293 -9.451 1.00 0.00 H new ATOM 663 N VAL A 54 -5.699 7.168 -6.672 1.00 0.00 N ATOM 664 CA VAL A 54 -4.623 7.706 -5.848 1.00 0.00 C ATOM 665 C VAL A 54 -3.260 7.410 -6.464 1.00 0.00 C ATOM 666 O VAL A 54 -2.944 6.262 -6.773 1.00 0.00 O ATOM 667 CB VAL A 54 -4.667 7.128 -4.421 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.941 7.557 -3.710 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.550 5.612 -4.457 1.00 0.00 C ATOM 0 H VAL A 54 -5.680 6.154 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.770 8.785 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.818 7.521 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.954 7.139 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.976 8.645 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.807 7.195 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.583 5.220 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.377 5.197 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.606 5.331 -4.924 1.00 0.00 H new ATOM 679 N GLN A 55 -2.457 8.455 -6.638 1.00 0.00 N ATOM 680 CA GLN A 55 -1.126 8.306 -7.216 1.00 0.00 C ATOM 681 C GLN A 55 -0.157 7.702 -6.205 1.00 0.00 C ATOM 682 O GLN A 55 0.171 8.326 -5.195 1.00 0.00 O ATOM 683 CB GLN A 55 -0.602 9.660 -7.697 1.00 0.00 C ATOM 684 CG GLN A 55 0.342 9.561 -8.884 1.00 0.00 C ATOM 685 CD GLN A 55 1.771 9.267 -8.471 1.00 0.00 C ATOM 686 OE1 GLN A 55 2.092 9.241 -7.282 1.00 0.00 O ATOM 687 NE2 GLN A 55 2.637 9.045 -9.452 1.00 0.00 N ATOM 0 H GLN A 55 -2.704 9.412 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.201 7.630 -8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.448 10.292 -7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.086 10.154 -6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.007 8.777 -9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.315 10.496 -9.444 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.327 9.077 -10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.613 8.843 -9.235 1.00 0.00 H new ATOM 696 N LEU A 56 0.297 6.485 -6.483 1.00 0.00 N ATOM 697 CA LEU A 56 1.229 5.796 -5.598 1.00 0.00 C ATOM 698 C LEU A 56 2.589 5.622 -6.267 1.00 0.00 C ATOM 699 O LEU A 56 2.678 5.477 -7.486 1.00 0.00 O ATOM 700 CB LEU A 56 0.667 4.431 -5.197 1.00 0.00 C ATOM 701 CG LEU A 56 0.888 3.294 -6.196 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.030 1.966 -5.470 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.255 3.237 -7.199 1.00 0.00 C ATOM 0 H LEU A 56 0.035 5.955 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 56 1.360 6.405 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.112 4.143 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.405 4.537 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 56 1.813 3.487 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.187 1.169 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.882 2.011 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.123 1.764 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.082 2.422 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.194 3.067 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.309 4.180 -7.743 1.00 0.00 H new ATOM 715 N ASP A 57 3.645 5.636 -5.461 1.00 0.00 N ATOM 716 CA ASP A 57 5.000 5.477 -5.975 1.00 0.00 C ATOM 717 C ASP A 57 5.764 4.425 -5.176 1.00 0.00 C ATOM 718 O ASP A 57 5.894 4.531 -3.956 1.00 0.00 O ATOM 719 CB ASP A 57 5.746 6.811 -5.928 1.00 0.00 C ATOM 720 CG ASP A 57 6.790 6.930 -7.021 1.00 0.00 C ATOM 721 OD1 ASP A 57 6.434 6.737 -8.203 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.961 7.216 -6.696 1.00 0.00 O ATOM 0 H ASP A 57 3.589 5.756 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 57 4.933 5.143 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.030 7.628 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.228 6.921 -4.956 1.00 0.00 H new ATOM 727 N CYS A 58 6.266 3.411 -5.872 1.00 0.00 N ATOM 728 CA CYS A 58 7.015 2.338 -5.228 1.00 0.00 C ATOM 729 C CYS A 58 8.453 2.768 -4.953 1.00 0.00 C ATOM 730 O CYS A 58 9.090 3.408 -5.789 1.00 0.00 O ATOM 731 CB CYS A 58 7.003 1.083 -6.102 1.00 0.00 C ATOM 732 SG CYS A 58 7.654 -0.392 -5.284 1.00 0.00 S ATOM 0 H CYS A 58 6.168 3.309 -6.882 1.00 0.00 H new ATOM 0 HA CYS A 58 6.534 2.113 -4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.980 0.886 -6.422 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.588 1.274 -7.002 1.00 0.00 H new ATOM 0 HG CYS A 58 7.600 -1.401 -6.102 1.00 0.00 H new ATOM 738 N ARG A 59 8.956 2.412 -3.776 1.00 0.00 N ATOM 739 CA ARG A 59 10.318 2.763 -3.390 1.00 0.00 C ATOM 740 C ARG A 59 11.021 1.576 -2.736 1.00 0.00 C ATOM 741 O ARG A 59 10.433 0.508 -2.574 1.00 0.00 O ATOM 742 CB ARG A 59 10.307 3.955 -2.431 1.00 0.00 C ATOM 743 CG ARG A 59 10.305 5.302 -3.134 1.00 0.00 C ATOM 744 CD ARG A 59 11.719 5.802 -3.384 1.00 0.00 C ATOM 745 NE ARG A 59 11.761 6.831 -4.420 1.00 0.00 N ATOM 746 CZ ARG A 59 11.741 6.565 -5.721 1.00 0.00 C ATOM 747 NH1 ARG A 59 11.680 5.309 -6.144 1.00 0.00 N ATOM 748 NH2 ARG A 59 11.782 7.555 -6.603 1.00 0.00 N ATOM 0 H ARG A 59 8.442 1.881 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 59 10.866 3.036 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.427 3.887 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.180 3.895 -1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.775 5.218 -4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.763 6.029 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.131 6.203 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.353 4.965 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 59 11.808 7.807 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.648 4.545 -5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.665 5.108 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.829 8.522 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.767 7.349 -7.602 1.00 0.00 H new ATOM 762 N GLU A 60 12.282 1.774 -2.364 1.00 0.00 N ATOM 763 CA GLU A 60 13.064 0.720 -1.730 1.00 0.00 C ATOM 764 C GLU A 60 13.392 1.081 -0.284 1.00 0.00 C ATOM 765 O GLU A 60 13.787 2.210 0.011 1.00 0.00 O ATOM 766 CB GLU A 60 14.356 0.472 -2.511 1.00 0.00 C ATOM 767 CG GLU A 60 15.392 1.570 -2.337 1.00 0.00 C ATOM 768 CD GLU A 60 16.695 1.261 -3.050 1.00 0.00 C ATOM 769 OE1 GLU A 60 17.511 0.499 -2.491 1.00 0.00 O ATOM 770 OE2 GLU A 60 16.896 1.781 -4.167 1.00 0.00 O ATOM 0 H GLU A 60 12.783 2.654 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 60 12.466 -0.192 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.787 -0.477 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.117 0.374 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.988 2.509 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.589 1.714 -1.275 1.00 0.00 H new ATOM 777 N CYS A 61 13.226 0.115 0.613 1.00 0.00 N ATOM 778 CA CYS A 61 13.503 0.331 2.029 1.00 0.00 C ATOM 779 C CYS A 61 14.229 -0.868 2.630 1.00 0.00 C ATOM 780 O CYS A 61 14.089 -2.003 2.173 1.00 0.00 O ATOM 781 CB CYS A 61 12.202 0.589 2.791 1.00 0.00 C ATOM 782 SG CYS A 61 10.928 -0.665 2.522 1.00 0.00 S ATOM 0 H CYS A 61 12.901 -0.825 0.385 1.00 0.00 H new ATOM 0 HA CYS A 61 14.148 1.205 2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.423 0.644 3.857 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.808 1.561 2.496 1.00 0.00 H new ATOM 0 HG CYS A 61 9.867 -0.360 3.209 1.00 0.00 H new ATOM 788 N PRO A 62 15.027 -0.613 3.677 1.00 0.00 N ATOM 789 CA PRO A 62 15.792 -1.659 4.363 1.00 0.00 C ATOM 790 C PRO A 62 14.898 -2.611 5.150 1.00 0.00 C ATOM 791 O PRO A 62 15.363 -3.620 5.677 1.00 0.00 O ATOM 792 CB PRO A 62 16.699 -0.871 5.311 1.00 0.00 C ATOM 793 CG PRO A 62 15.976 0.409 5.551 1.00 0.00 C ATOM 794 CD PRO A 62 15.242 0.715 4.275 1.00 0.00 C ATOM 0 HA PRO A 62 16.334 -2.294 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.864 -1.413 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.679 -0.695 4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.283 0.315 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.672 1.209 5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.299 1.226 4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.827 1.361 3.620 1.00 0.00 H new ATOM 802 N GLU A 63 13.612 -2.282 5.224 1.00 0.00 N ATOM 803 CA GLU A 63 12.653 -3.109 5.947 1.00 0.00 C ATOM 804 C GLU A 63 11.896 -4.027 4.992 1.00 0.00 C ATOM 805 O GLU A 63 11.227 -4.967 5.417 1.00 0.00 O ATOM 806 CB GLU A 63 11.665 -2.229 6.716 1.00 0.00 C ATOM 807 CG GLU A 63 12.322 -1.362 7.777 1.00 0.00 C ATOM 808 CD GLU A 63 11.403 -1.081 8.951 1.00 0.00 C ATOM 809 OE1 GLU A 63 10.220 -0.759 8.714 1.00 0.00 O ATOM 810 OE2 GLU A 63 11.867 -1.183 10.106 1.00 0.00 O ATOM 0 H GLU A 63 13.211 -1.449 4.793 1.00 0.00 H new ATOM 0 HA GLU A 63 13.206 -3.727 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.137 -1.588 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.917 -2.865 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.225 -1.856 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.632 -0.418 7.329 1.00 0.00 H new ATOM 817 N GLY A 64 12.007 -3.745 3.697 1.00 0.00 N ATOM 818 CA GLY A 64 11.328 -4.553 2.701 1.00 0.00 C ATOM 819 C GLY A 64 10.881 -3.741 1.502 1.00 0.00 C ATOM 820 O GLY A 64 11.617 -3.610 0.522 1.00 0.00 O ATOM 0 H GLY A 64 12.555 -2.972 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.994 -5.350 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.461 -5.031 3.156 1.00 0.00 H new ATOM 824 N HIS A 65 9.672 -3.194 1.576 1.00 0.00 N ATOM 825 CA HIS A 65 9.128 -2.390 0.487 1.00 0.00 C ATOM 826 C HIS A 65 8.336 -1.205 1.030 1.00 0.00 C ATOM 827 O HIS A 65 7.583 -1.338 1.995 1.00 0.00 O ATOM 828 CB HIS A 65 8.235 -3.248 -0.410 1.00 0.00 C ATOM 829 CG HIS A 65 8.977 -4.326 -1.138 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.726 -4.091 -2.272 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.083 -5.652 -0.888 1.00 0.00 C ATOM 832 CE1 HIS A 65 10.259 -5.226 -2.688 1.00 0.00 C ATOM 833 NE2 HIS A 65 9.885 -6.189 -1.865 1.00 0.00 N ATOM 0 H HIS A 65 9.050 -3.293 2.379 1.00 0.00 H new ATOM 0 HA HIS A 65 9.962 -2.007 -0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.453 -3.703 0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.739 -2.605 -1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.622 -6.188 -0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.893 -5.346 -3.554 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.149 -7.171 -1.942 1.00 0.00 H new ATOM 842 N VAL A 66 8.510 -0.046 0.403 1.00 0.00 N ATOM 843 CA VAL A 66 7.812 1.163 0.823 1.00 0.00 C ATOM 844 C VAL A 66 7.172 1.870 -0.367 1.00 0.00 C ATOM 845 O VAL A 66 7.781 1.993 -1.430 1.00 0.00 O ATOM 846 CB VAL A 66 8.763 2.142 1.537 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.759 2.733 0.551 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.973 3.240 2.232 1.00 0.00 C ATOM 0 H VAL A 66 9.129 0.081 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 66 7.033 0.852 1.519 1.00 0.00 H new ATOM 0 HB VAL A 66 9.321 1.592 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.423 3.422 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.347 1.932 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.222 3.269 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.661 3.923 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.388 3.789 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.304 2.796 2.969 1.00 0.00 H new ATOM 858 N VAL A 67 5.940 2.333 -0.181 1.00 0.00 N ATOM 859 CA VAL A 67 5.218 3.029 -1.239 1.00 0.00 C ATOM 860 C VAL A 67 4.526 4.277 -0.702 1.00 0.00 C ATOM 861 O VAL A 67 3.923 4.254 0.372 1.00 0.00 O ATOM 862 CB VAL A 67 4.167 2.115 -1.896 1.00 0.00 C ATOM 863 CG1 VAL A 67 3.401 2.869 -2.973 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.828 0.872 -2.473 1.00 0.00 C ATOM 0 H VAL A 67 5.421 2.239 0.692 1.00 0.00 H new ATOM 0 HA VAL A 67 5.955 3.319 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 67 3.457 1.800 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.663 2.207 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.895 3.726 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.095 3.216 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.071 0.238 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.561 1.165 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.327 0.321 -1.675 1.00 0.00 H new ATOM 874 N THR A 68 4.615 5.368 -1.457 1.00 0.00 N ATOM 875 CA THR A 68 3.998 6.626 -1.058 1.00 0.00 C ATOM 876 C THR A 68 2.816 6.970 -1.958 1.00 0.00 C ATOM 877 O THR A 68 2.879 6.794 -3.175 1.00 0.00 O ATOM 878 CB THR A 68 5.011 7.786 -1.096 1.00 0.00 C ATOM 879 OG1 THR A 68 6.200 7.420 -0.386 1.00 0.00 O ATOM 880 CG2 THR A 68 4.416 9.045 -0.484 1.00 0.00 C ATOM 0 H THR A 68 5.109 5.405 -2.349 1.00 0.00 H new ATOM 0 HA THR A 68 3.646 6.494 -0.035 1.00 0.00 H new ATOM 0 HB THR A 68 5.258 7.990 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.840 8.161 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.150 9.850 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.528 9.337 -1.044 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.144 8.851 0.553 1.00 0.00 H new ATOM 888 N TYR A 69 1.741 7.461 -1.353 1.00 0.00 N ATOM 889 CA TYR A 69 0.544 7.827 -2.100 1.00 0.00 C ATOM 890 C TYR A 69 -0.128 9.052 -1.486 1.00 0.00 C ATOM 891 O TYR A 69 0.201 9.463 -0.373 1.00 0.00 O ATOM 892 CB TYR A 69 -0.440 6.656 -2.135 1.00 0.00 C ATOM 893 CG TYR A 69 -1.178 6.446 -0.833 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.239 7.267 -0.473 1.00 0.00 C ATOM 895 CD2 TYR A 69 -0.814 5.427 0.039 1.00 0.00 C ATOM 896 CE1 TYR A 69 -2.916 7.080 0.717 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.486 5.230 1.229 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.536 6.060 1.564 1.00 0.00 C ATOM 899 OH TYR A 69 -3.208 5.868 2.750 1.00 0.00 O ATOM 0 H TYR A 69 1.674 7.615 -0.347 1.00 0.00 H new ATOM 0 HA TYR A 69 0.844 8.071 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.165 6.826 -2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.102 5.744 -2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.540 8.066 -1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.009 4.777 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.738 7.729 0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.192 4.431 1.893 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.915 5.027 3.160 1.00 0.00 H new ATOM 909 N THR A 70 -1.074 9.630 -2.220 1.00 0.00 N ATOM 910 CA THR A 70 -1.793 10.808 -1.750 1.00 0.00 C ATOM 911 C THR A 70 -3.281 10.703 -2.062 1.00 0.00 C ATOM 912 O THR A 70 -3.693 10.612 -3.219 1.00 0.00 O ATOM 913 CB THR A 70 -1.236 12.096 -2.385 1.00 0.00 C ATOM 914 OG1 THR A 70 0.169 12.201 -2.128 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.950 13.322 -1.835 1.00 0.00 C ATOM 0 H THR A 70 -1.360 9.301 -3.142 1.00 0.00 H new ATOM 0 HA THR A 70 -1.653 10.855 -0.670 1.00 0.00 H new ATOM 0 HB THR A 70 -1.405 12.048 -3.461 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.516 13.022 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.540 14.220 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.015 13.253 -2.057 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.807 13.373 -0.756 1.00 0.00 H new ATOM 923 N PRO A 71 -4.110 10.718 -1.007 1.00 0.00 N ATOM 924 CA PRO A 71 -5.567 10.627 -1.144 1.00 0.00 C ATOM 925 C PRO A 71 -6.170 11.885 -1.760 1.00 0.00 C ATOM 926 O PRO A 71 -5.708 12.996 -1.504 1.00 0.00 O ATOM 927 CB PRO A 71 -6.048 10.455 0.299 1.00 0.00 C ATOM 928 CG PRO A 71 -4.978 11.073 1.132 1.00 0.00 C ATOM 929 CD PRO A 71 -3.688 10.825 0.400 1.00 0.00 C ATOM 0 HA PRO A 71 -5.865 9.815 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.007 10.948 0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.185 9.403 0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.153 12.141 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.953 10.630 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.980 11.640 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.200 9.913 0.744 1.00 0.00 H new ATOM 937 N MET A 72 -7.206 11.701 -2.573 1.00 0.00 N ATOM 938 CA MET A 72 -7.874 12.822 -3.224 1.00 0.00 C ATOM 939 C MET A 72 -9.211 13.122 -2.554 1.00 0.00 C ATOM 940 O MET A 72 -9.682 14.259 -2.568 1.00 0.00 O ATOM 941 CB MET A 72 -8.090 12.522 -4.709 1.00 0.00 C ATOM 942 CG MET A 72 -6.837 12.694 -5.552 1.00 0.00 C ATOM 943 SD MET A 72 -7.001 11.970 -7.195 1.00 0.00 S ATOM 944 CE MET A 72 -7.979 13.224 -8.021 1.00 0.00 C ATOM 0 H MET A 72 -7.600 10.787 -2.796 1.00 0.00 H new ATOM 0 HA MET A 72 -7.235 13.699 -3.127 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.452 11.500 -4.816 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.870 13.179 -5.094 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.611 13.756 -5.648 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.993 12.234 -5.039 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.016 13.012 -9.089 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.991 13.222 -7.616 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.526 14.202 -7.861 1.00 0.00 H new ATOM 954 N ALA A 73 -9.817 12.095 -1.968 1.00 0.00 N ATOM 955 CA ALA A 73 -11.099 12.249 -1.292 1.00 0.00 C ATOM 956 C ALA A 73 -11.165 11.387 -0.036 1.00 0.00 C ATOM 957 O ALA A 73 -10.567 10.313 0.040 1.00 0.00 O ATOM 958 CB ALA A 73 -12.240 11.899 -2.236 1.00 0.00 C ATOM 0 H ALA A 73 -9.441 11.147 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.199 13.292 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.191 12.019 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.213 12.561 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.135 10.866 -2.567 1.00 0.00 H new ATOM 964 N PRO A 74 -11.908 11.865 0.973 1.00 0.00 N ATOM 965 CA PRO A 74 -12.069 11.152 2.244 1.00 0.00 C ATOM 966 C PRO A 74 -12.907 9.887 2.097 1.00 0.00 C ATOM 967 O PRO A 74 -14.067 9.942 1.693 1.00 0.00 O ATOM 968 CB PRO A 74 -12.788 12.170 3.133 1.00 0.00 C ATOM 969 CG PRO A 74 -13.510 13.060 2.181 1.00 0.00 C ATOM 970 CD PRO A 74 -12.648 13.137 0.951 1.00 0.00 C ATOM 0 HA PRO A 74 -11.114 10.814 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.479 11.679 3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.081 12.733 3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.495 12.659 1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.664 14.049 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.247 13.238 0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.975 13.994 0.985 1.00 0.00 H new ATOM 978 N GLY A 75 -12.310 8.745 2.429 1.00 0.00 N ATOM 979 CA GLY A 75 -13.017 7.482 2.327 1.00 0.00 C ATOM 980 C GLY A 75 -12.162 6.304 2.747 1.00 0.00 C ATOM 981 O GLY A 75 -11.177 6.468 3.466 1.00 0.00 O ATOM 0 H GLY A 75 -11.350 8.673 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.911 7.518 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.350 7.337 1.299 1.00 0.00 H new ATOM 985 N ASN A 76 -12.539 5.110 2.299 1.00 0.00 N ATOM 986 CA ASN A 76 -11.800 3.899 2.636 1.00 0.00 C ATOM 987 C ASN A 76 -11.090 3.337 1.408 1.00 0.00 C ATOM 988 O ASN A 76 -11.730 2.844 0.479 1.00 0.00 O ATOM 989 CB ASN A 76 -12.745 2.846 3.219 1.00 0.00 C ATOM 990 CG ASN A 76 -13.545 3.374 4.394 1.00 0.00 C ATOM 991 OD1 ASN A 76 -14.759 3.557 4.300 1.00 0.00 O ATOM 992 ND2 ASN A 76 -12.866 3.622 5.508 1.00 0.00 N ATOM 0 H ASN A 76 -13.352 4.956 1.702 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.049 4.157 3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.429 2.505 2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.166 1.979 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.350 3.979 6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.860 3.455 5.540 1.00 0.00 H new ATOM 999 N TYR A 77 -9.764 3.414 1.412 1.00 0.00 N ATOM 1000 CA TYR A 77 -8.966 2.914 0.299 1.00 0.00 C ATOM 1001 C TYR A 77 -8.441 1.512 0.590 1.00 0.00 C ATOM 1002 O TYR A 77 -7.555 1.329 1.426 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.797 3.860 0.017 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.226 5.221 -0.482 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.604 6.221 0.406 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.254 5.507 -1.841 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.997 7.466 -0.046 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.645 6.750 -2.302 1.00 0.00 C ATOM 1009 CZ TYR A 77 -9.016 7.726 -1.400 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.407 8.964 -1.855 1.00 0.00 O ATOM 0 H TYR A 77 -9.219 3.818 2.174 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.607 2.866 -0.581 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.213 3.984 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.140 3.402 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.590 6.022 1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.965 4.745 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.288 8.232 0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.660 6.956 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.030 9.366 -1.214 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.994 0.524 -0.105 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.582 -0.864 0.077 1.00 0.00 C ATOM 1022 C LEU A 78 -7.189 -1.098 -0.497 1.00 0.00 C ATOM 1023 O LEU A 78 -6.985 -1.020 -1.709 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.586 -1.805 -0.590 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.658 -3.223 -0.020 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.280 -3.867 -0.018 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.242 -3.204 1.385 1.00 0.00 C ATOM 0 H LEU A 78 -9.729 0.658 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.553 -1.072 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.577 -1.356 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.341 -1.873 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.314 -3.817 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.350 -4.875 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.899 -3.915 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.602 -3.273 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.286 -4.221 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.612 -2.594 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.247 -2.783 1.356 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.234 -1.388 0.380 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.861 -1.637 -0.040 1.00 0.00 C ATOM 1041 C ILE A 79 -4.577 -3.132 -0.134 1.00 0.00 C ATOM 1042 O ILE A 79 -4.343 -3.794 0.877 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.850 -0.994 0.928 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -3.993 0.529 0.912 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.431 -1.401 0.560 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.554 1.191 2.199 1.00 0.00 C ATOM 0 H ILE A 79 -6.386 -1.456 1.386 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.746 -1.185 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.059 -1.350 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.406 0.932 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.034 0.786 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.728 -0.939 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.337 -2.485 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.209 -1.071 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.683 2.270 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.158 0.816 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.504 0.965 2.385 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.598 -3.658 -1.354 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.340 -5.074 -1.580 1.00 0.00 C ATOM 1060 C ALA A 80 -2.844 -5.350 -1.685 1.00 0.00 C ATOM 1061 O ALA A 80 -2.150 -4.753 -2.510 1.00 0.00 O ATOM 1062 CB ALA A 80 -5.055 -5.547 -2.838 1.00 0.00 C ATOM 0 H ALA A 80 -4.791 -3.124 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.726 -5.629 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.853 -6.607 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.128 -5.395 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.696 -4.979 -3.696 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.353 -6.255 -0.846 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.939 -6.608 -0.845 1.00 0.00 C ATOM 1070 C ILE A 81 -0.751 -8.121 -0.871 1.00 0.00 C ATOM 1071 O ILE A 81 -1.311 -8.842 -0.045 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.215 -6.033 0.387 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.458 -4.526 0.490 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.275 -6.331 0.313 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.198 -3.966 1.871 1.00 0.00 C ATOM 0 H ILE A 81 -2.914 -6.757 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.505 -6.174 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.616 -6.509 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.182 -4.013 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.489 -4.312 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.773 -5.918 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.429 -7.410 0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.692 -5.879 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.390 -2.893 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.856 -4.452 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.840 -4.148 2.148 1.00 0.00 H new ATOM 1087 N LYS A 82 0.043 -8.597 -1.824 1.00 0.00 N ATOM 1088 CA LYS A 82 0.310 -10.024 -1.957 1.00 0.00 C ATOM 1089 C LYS A 82 1.809 -10.292 -2.045 1.00 0.00 C ATOM 1090 O LYS A 82 2.598 -9.382 -2.302 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.393 -10.582 -3.198 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.907 -10.493 -3.130 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.559 -11.156 -4.333 1.00 0.00 C ATOM 1094 CE LYS A 82 -4.076 -11.072 -4.262 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.663 -12.242 -3.553 1.00 0.00 N ATOM 0 H LYS A 82 0.513 -8.014 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.079 -10.525 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.045 -10.040 -4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.104 -11.625 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.260 -10.969 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.209 -9.447 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.209 -10.677 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.253 -12.201 -4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.365 -10.154 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.484 -11.016 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.682 -12.295 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.200 -13.114 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.518 -12.136 -2.529 1.00 0.00 H new ATOM 1109 N TYR A 83 2.195 -11.545 -1.833 1.00 0.00 N ATOM 1110 CA TYR A 83 3.599 -11.932 -1.887 1.00 0.00 C ATOM 1111 C TYR A 83 3.742 -13.438 -2.085 1.00 0.00 C ATOM 1112 O TYR A 83 3.155 -14.231 -1.351 1.00 0.00 O ATOM 1113 CB TYR A 83 4.318 -11.505 -0.606 1.00 0.00 C ATOM 1114 CG TYR A 83 5.815 -11.366 -0.769 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.379 -10.172 -1.201 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.665 -12.429 -0.491 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.745 -10.041 -1.351 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.033 -12.307 -0.637 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.568 -11.111 -1.068 1.00 0.00 C ATOM 1120 OH TYR A 83 9.931 -10.984 -1.216 1.00 0.00 O ATOM 0 H TYR A 83 1.555 -12.310 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 83 4.056 -11.426 -2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.908 -10.553 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.112 -12.235 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.738 -9.332 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.249 -13.367 -0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.167 -9.106 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.680 -13.143 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 83 10.366 -11.828 -0.975 1.00 0.00 H new ATOM 1130 N GLY A 84 4.529 -13.825 -3.085 1.00 0.00 N ATOM 1131 CA GLY A 84 4.737 -15.234 -3.363 1.00 0.00 C ATOM 1132 C GLY A 84 3.482 -16.057 -3.154 1.00 0.00 C ATOM 1133 O GLY A 84 3.541 -17.172 -2.636 1.00 0.00 O ATOM 0 H GLY A 84 5.026 -13.188 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.078 -15.352 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.529 -15.615 -2.719 1.00 0.00 H new ATOM 1137 N GLY A 85 2.341 -15.507 -3.557 1.00 0.00 N ATOM 1138 CA GLY A 85 1.081 -16.211 -3.401 1.00 0.00 C ATOM 1139 C GLY A 85 -0.070 -15.497 -4.080 1.00 0.00 C ATOM 1140 O GLY A 85 -0.172 -14.270 -4.051 1.00 0.00 O ATOM 0 H GLY A 85 2.266 -14.586 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.176 -17.215 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.860 -16.323 -2.340 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.964 -16.273 -4.711 1.00 0.00 N ATOM 1145 CA PRO A 86 -2.129 -15.729 -5.414 1.00 0.00 C ATOM 1146 C PRO A 86 -3.164 -15.148 -4.457 1.00 0.00 C ATOM 1147 O PRO A 86 -4.146 -14.541 -4.884 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.702 -16.945 -6.147 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.250 -18.117 -5.346 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.905 -17.743 -4.787 1.00 0.00 C ATOM 0 HA PRO A 86 -1.858 -14.905 -6.074 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.790 -16.898 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.334 -17.000 -7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.957 -18.339 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.180 -19.010 -5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.739 -18.190 -3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.094 -18.080 -5.432 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.937 -15.337 -3.161 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.851 -14.831 -2.144 1.00 0.00 C ATOM 1160 C GLN A 87 -3.232 -13.659 -1.390 1.00 0.00 C ATOM 1161 O GLN A 87 -2.070 -13.313 -1.605 1.00 0.00 O ATOM 1162 CB GLN A 87 -4.223 -15.945 -1.163 1.00 0.00 C ATOM 1163 CG GLN A 87 -5.376 -16.814 -1.637 1.00 0.00 C ATOM 1164 CD GLN A 87 -6.727 -16.274 -1.211 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -7.564 -15.933 -2.046 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -6.947 -16.194 0.097 1.00 0.00 N ATOM 0 H GLN A 87 -2.128 -15.837 -2.791 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.754 -14.481 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.350 -16.575 -0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.485 -15.500 -0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.346 -16.890 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.252 -17.823 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.225 -16.488 0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.838 -15.839 0.443 1.00 0.00 H new ATOM 1175 N HIS A 88 -4.016 -13.050 -0.506 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.544 -11.916 0.280 1.00 0.00 C ATOM 1177 C HIS A 88 -2.673 -12.385 1.442 1.00 0.00 C ATOM 1178 O HIS A 88 -2.964 -13.397 2.079 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.729 -11.107 0.810 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.457 -10.345 -0.254 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.327 -8.983 -0.426 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -6.326 -10.762 -1.204 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.086 -8.595 -1.436 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.702 -9.656 -1.926 1.00 0.00 N ATOM 0 H HIS A 88 -4.980 -13.323 -0.316 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.942 -11.281 -0.370 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.427 -11.782 1.304 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.372 -10.408 1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.661 -11.776 -1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.186 -7.583 -1.799 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.351 -9.654 -2.713 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.604 -11.642 1.711 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.692 -11.982 2.796 1.00 0.00 C ATOM 1195 C ILE A 89 -1.375 -11.846 4.152 1.00 0.00 C ATOM 1196 O ILE A 89 -2.361 -11.122 4.293 1.00 0.00 O ATOM 1197 CB ILE A 89 0.564 -11.092 2.775 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.176 -9.621 2.942 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.338 -11.297 1.481 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.244 -8.787 3.615 1.00 0.00 C ATOM 0 H ILE A 89 -1.349 -10.801 1.193 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.395 -13.020 2.644 1.00 0.00 H new ATOM 0 HB ILE A 89 1.206 -11.376 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.040 -9.197 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.743 -9.560 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.223 -10.661 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.642 -12.341 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.705 -11.037 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.901 -7.756 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.444 -9.186 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.157 -8.817 3.021 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.844 -12.547 5.149 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.401 -12.502 6.496 1.00 0.00 C ATOM 1214 C VAL A 90 -1.726 -11.071 6.909 1.00 0.00 C ATOM 1215 O VAL A 90 -0.834 -10.237 7.051 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.431 -13.114 7.525 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.935 -12.451 7.431 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.998 -12.989 8.931 1.00 0.00 C ATOM 0 H VAL A 90 -0.029 -13.153 5.049 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.319 -13.089 6.479 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.310 -14.174 7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.607 -12.896 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.342 -12.597 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.836 -11.384 7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.300 -13.426 9.645 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.150 -11.936 9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.951 -13.515 8.987 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.013 -10.794 7.101 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.434 -9.463 7.497 1.00 0.00 C ATOM 1230 C GLY A 91 -4.211 -8.753 6.406 1.00 0.00 C ATOM 1231 O GLY A 91 -5.178 -8.044 6.685 1.00 0.00 O ATOM 0 H GLY A 91 -3.771 -11.468 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.051 -9.532 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.557 -8.871 7.759 1.00 0.00 H new ATOM 1235 N SER A 92 -3.787 -8.942 5.161 1.00 0.00 N ATOM 1236 CA SER A 92 -4.448 -8.309 4.025 1.00 0.00 C ATOM 1237 C SER A 92 -5.752 -9.024 3.687 1.00 0.00 C ATOM 1238 O SER A 92 -5.964 -10.184 4.042 1.00 0.00 O ATOM 1239 CB SER A 92 -3.523 -8.309 2.806 1.00 0.00 C ATOM 1240 OG SER A 92 -2.666 -7.181 2.816 1.00 0.00 O ATOM 0 H SER A 92 -2.990 -9.528 4.913 1.00 0.00 H new ATOM 0 HA SER A 92 -4.679 -7.279 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.928 -9.222 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.119 -8.309 1.893 1.00 0.00 H new ATOM 0 HG SER A 92 -2.711 -6.743 3.692 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.649 -8.317 2.985 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.409 -6.935 2.557 1.00 0.00 C ATOM 1248 C PRO A 93 -6.408 -5.958 3.728 1.00 0.00 C ATOM 1249 O PRO A 93 -6.887 -6.277 4.816 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.582 -6.645 1.619 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.662 -7.569 2.064 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.968 -8.810 2.554 1.00 0.00 C ATOM 0 HA PRO A 93 -5.432 -6.817 2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.898 -5.604 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.311 -6.825 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.260 -7.118 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.341 -7.800 1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.511 -9.276 3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.879 -9.558 1.766 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.869 -4.766 3.497 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.806 -3.741 4.533 1.00 0.00 C ATOM 1262 C PHE A 94 -6.776 -2.603 4.232 1.00 0.00 C ATOM 1263 O PHE A 94 -7.014 -2.265 3.072 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.382 -3.195 4.655 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.431 -4.143 5.327 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.296 -4.147 6.706 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.673 -5.031 4.581 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.421 -5.018 7.328 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.797 -5.905 5.197 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.671 -5.899 6.572 1.00 0.00 C ATOM 0 H PHE A 94 -5.469 -4.485 2.602 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.094 -4.199 5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.005 -2.960 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.407 -2.260 5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.881 -3.462 7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.768 -5.040 3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.324 -5.010 8.404 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.212 -6.592 4.603 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.988 -6.581 7.056 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.334 -2.015 5.285 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.277 -0.913 5.136 1.00 0.00 C ATOM 1282 C LYS A 95 -7.655 0.402 5.592 1.00 0.00 C ATOM 1283 O LYS A 95 -7.127 0.498 6.699 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.550 -1.193 5.938 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.757 -0.404 5.460 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.057 -1.108 5.807 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.372 -2.218 4.816 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.221 -3.280 5.424 1.00 0.00 N ATOM 0 H LYS A 95 -7.149 -2.284 6.251 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.532 -0.826 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.777 -2.258 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.367 -0.960 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.747 0.587 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.696 -0.262 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.989 -1.525 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.872 -0.385 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.882 -1.797 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.442 -2.658 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.413 -4.018 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.724 -3.699 6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.119 -2.865 5.745 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.723 1.413 4.733 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.169 2.724 5.049 1.00 0.00 C ATOM 1304 C ALA A 96 -8.255 3.794 5.049 1.00 0.00 C ATOM 1305 O ALA A 96 -8.745 4.197 3.993 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.069 3.085 4.062 1.00 0.00 C ATOM 0 H ALA A 96 -8.157 1.350 3.812 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.742 2.678 6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.665 4.066 4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.274 2.341 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.479 3.107 3.052 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.630 4.251 6.239 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.659 5.275 6.377 1.00 0.00 C ATOM 1314 C LYS A 97 -9.035 6.664 6.467 1.00 0.00 C ATOM 1315 O LYS A 97 -8.482 7.041 7.500 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.512 5.006 7.619 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.466 6.138 7.958 1.00 0.00 C ATOM 1318 CD LYS A 97 -11.898 6.085 9.414 1.00 0.00 C ATOM 1319 CE LYS A 97 -12.915 4.980 9.654 1.00 0.00 C ATOM 1320 NZ LYS A 97 -12.258 3.677 9.951 1.00 0.00 N ATOM 0 H LYS A 97 -8.236 3.928 7.123 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.295 5.238 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.086 4.092 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.854 4.829 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.984 7.094 7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.344 6.080 7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.026 5.922 10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.327 7.045 9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.564 5.257 10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.551 4.874 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.538 2.976 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.225 3.797 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.551 3.347 10.893 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.130 7.421 5.379 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.577 8.770 5.335 1.00 0.00 C ATOM 1336 C VAL A 98 -9.651 9.813 5.620 1.00 0.00 C ATOM 1337 O VAL A 98 -10.768 9.727 5.108 1.00 0.00 O ATOM 1338 CB VAL A 98 -7.935 9.070 3.968 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.410 10.497 3.926 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -6.822 8.075 3.673 1.00 0.00 C ATOM 0 H VAL A 98 -9.585 7.123 4.516 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.809 8.823 6.107 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.698 8.966 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.960 10.691 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.233 11.192 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.660 10.632 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.379 8.301 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.057 8.145 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.231 7.065 3.658 1.00 0.00 H new ATOM 1350 N THR A 99 -9.307 10.801 6.440 1.00 0.00 N ATOM 1351 CA THR A 99 -10.242 11.862 6.794 1.00 0.00 C ATOM 1352 C THR A 99 -9.762 13.213 6.276 1.00 0.00 C ATOM 1353 O THR A 99 -8.592 13.376 5.930 1.00 0.00 O ATOM 1354 CB THR A 99 -10.440 11.951 8.319 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.383 12.982 8.631 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.120 12.233 9.021 1.00 0.00 C ATOM 0 H THR A 99 -8.387 10.889 6.872 1.00 0.00 H new ATOM 0 HA THR A 99 -11.194 11.613 6.325 1.00 0.00 H new ATOM 0 HB THR A 99 -10.822 10.992 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.505 13.031 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.285 12.291 10.097 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.415 11.431 8.805 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.713 13.179 8.665 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.673 14.180 6.226 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.322 15.506 5.749 1.00 0.00 C ATOM 1366 C GLY A 100 -11.160 15.935 4.561 1.00 0.00 C ATOM 1367 O GLY A 100 -11.897 15.142 3.975 1.00 0.00 O ATOM 0 H GLY A 100 -11.647 14.069 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.449 16.225 6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.268 15.522 5.471 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.054 17.220 4.191 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.801 17.782 3.062 1.00 0.00 C ATOM 1373 C PRO A 101 -11.310 17.252 1.719 1.00 0.00 C ATOM 1374 O PRO A 101 -10.106 17.175 1.475 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.534 19.285 3.174 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.234 19.386 3.894 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.195 18.221 4.844 1.00 0.00 C ATOM 0 HA PRO A 101 -12.858 17.518 3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.479 19.752 2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.330 19.789 3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.398 19.349 3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.158 20.331 4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.180 17.850 4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.573 18.493 5.830 1.00 0.00 H new ATOM 1385 N ARG A 102 -12.250 16.888 0.853 1.00 0.00 N ATOM 1386 CA ARG A 102 -11.912 16.365 -0.465 1.00 0.00 C ATOM 1387 C ARG A 102 -10.885 17.256 -1.157 1.00 0.00 C ATOM 1388 O ARG A 102 -11.242 18.182 -1.887 1.00 0.00 O ATOM 1389 CB ARG A 102 -13.169 16.251 -1.330 1.00 0.00 C ATOM 1390 CG ARG A 102 -13.106 15.127 -2.351 1.00 0.00 C ATOM 1391 CD ARG A 102 -14.171 15.289 -3.424 1.00 0.00 C ATOM 1392 NE ARG A 102 -15.494 14.898 -2.946 1.00 0.00 N ATOM 1393 CZ ARG A 102 -16.335 15.733 -2.346 1.00 0.00 C ATOM 1394 NH1 ARG A 102 -15.992 16.999 -2.152 1.00 0.00 N ATOM 1395 NH2 ARG A 102 -17.522 15.302 -1.939 1.00 0.00 N ATOM 0 H ARG A 102 -13.251 16.946 1.040 1.00 0.00 H new ATOM 0 HA ARG A 102 -11.478 15.374 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.032 16.095 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.328 17.195 -1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -12.120 15.110 -2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.238 14.169 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.197 16.327 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.906 14.685 -4.292 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.789 13.931 -3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.080 17.334 -2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -16.640 17.638 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -17.789 14.329 -2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.167 15.944 -1.478 1.00 0.00 H new ATOM 1409 N LEU A 103 -9.609 16.971 -0.924 1.00 0.00 N ATOM 1410 CA LEU A 103 -8.529 17.747 -1.524 1.00 0.00 C ATOM 1411 C LEU A 103 -8.182 17.214 -2.910 1.00 0.00 C ATOM 1412 O LEU A 103 -7.012 17.005 -3.230 1.00 0.00 O ATOM 1413 CB LEU A 103 -7.291 17.713 -0.627 1.00 0.00 C ATOM 1414 CG LEU A 103 -7.296 18.677 0.560 1.00 0.00 C ATOM 1415 CD1 LEU A 103 -6.315 18.215 1.627 1.00 0.00 C ATOM 1416 CD2 LEU A 103 -6.963 20.089 0.102 1.00 0.00 C ATOM 0 H LEU A 103 -9.296 16.208 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.868 18.778 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.171 16.699 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.416 17.928 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.296 18.684 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.332 18.913 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.599 17.222 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.310 18.178 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.971 20.761 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.975 20.099 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.704 20.420 -0.625 1.00 0.00 H new ATOM 1428 N SER A 104 -9.206 16.999 -3.730 1.00 0.00 N ATOM 1429 CA SER A 104 -9.009 16.489 -5.082 1.00 0.00 C ATOM 1430 C SER A 104 -8.987 17.629 -6.095 1.00 0.00 C ATOM 1431 O SER A 104 -9.425 18.742 -5.804 1.00 0.00 O ATOM 1432 CB SER A 104 -10.114 15.494 -5.441 1.00 0.00 C ATOM 1433 OG SER A 104 -11.370 16.142 -5.543 1.00 0.00 O ATOM 0 H SER A 104 -10.180 17.170 -3.482 1.00 0.00 H new ATOM 0 HA SER A 104 -8.046 15.979 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.875 15.006 -6.386 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.165 14.713 -4.683 1.00 0.00 H new ATOM 0 HG SER A 104 -12.059 15.485 -5.775 1.00 0.00 H new ATOM 1439 N GLY A 105 -8.473 17.344 -7.287 1.00 0.00 N ATOM 1440 CA GLY A 105 -8.403 18.355 -8.326 1.00 0.00 C ATOM 1441 C GLY A 105 -7.134 19.181 -8.247 1.00 0.00 C ATOM 1442 O GLY A 105 -6.920 19.912 -7.280 1.00 0.00 O ATOM 0 H GLY A 105 -8.104 16.431 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.459 17.873 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.267 19.014 -8.246 1.00 0.00 H new ATOM 1446 N SER A 106 -6.289 19.063 -9.266 1.00 0.00 N ATOM 1447 CA SER A 106 -5.031 19.801 -9.305 1.00 0.00 C ATOM 1448 C SER A 106 -5.090 20.920 -10.341 1.00 0.00 C ATOM 1449 O SER A 106 -4.771 20.715 -11.511 1.00 0.00 O ATOM 1450 CB SER A 106 -3.871 18.856 -9.624 1.00 0.00 C ATOM 1451 OG SER A 106 -3.436 18.172 -8.461 1.00 0.00 O ATOM 0 H SER A 106 -6.452 18.464 -10.075 1.00 0.00 H new ATOM 0 HA SER A 106 -4.868 20.246 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.183 18.134 -10.379 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.042 19.423 -10.048 1.00 0.00 H new ATOM 0 HG SER A 106 -2.695 17.573 -8.692 1.00 0.00 H new ATOM 1457 N GLY A 107 -5.500 22.105 -9.900 1.00 0.00 N ATOM 1458 CA GLY A 107 -5.594 23.240 -10.800 1.00 0.00 C ATOM 1459 C GLY A 107 -5.150 24.534 -10.148 1.00 0.00 C ATOM 1460 O GLY A 107 -5.106 24.655 -8.924 1.00 0.00 O ATOM 0 H GLY A 107 -5.769 22.300 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -4.982 23.052 -11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.623 23.344 -11.143 1.00 0.00 H new ATOM 1464 N PRO A 108 -4.809 25.532 -10.978 1.00 0.00 N ATOM 1465 CA PRO A 108 -4.359 26.842 -10.497 1.00 0.00 C ATOM 1466 C PRO A 108 -5.483 27.638 -9.844 1.00 0.00 C ATOM 1467 O PRO A 108 -5.252 28.703 -9.273 1.00 0.00 O ATOM 1468 CB PRO A 108 -3.879 27.541 -11.772 1.00 0.00 C ATOM 1469 CG PRO A 108 -4.641 26.887 -12.872 1.00 0.00 C ATOM 1470 CD PRO A 108 -4.837 25.458 -12.448 1.00 0.00 C ATOM 0 HA PRO A 108 -3.592 26.752 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.078 28.612 -11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.804 27.421 -11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.599 27.382 -13.031 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.094 26.943 -13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.783 25.057 -12.812 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.048 24.813 -12.833 1.00 0.00 H new ATOM 1478 N SER A 109 -6.702 27.113 -9.932 1.00 0.00 N ATOM 1479 CA SER A 109 -7.863 27.777 -9.353 1.00 0.00 C ATOM 1480 C SER A 109 -7.626 28.099 -7.880 1.00 0.00 C ATOM 1481 O SER A 109 -7.204 27.240 -7.106 1.00 0.00 O ATOM 1482 CB SER A 109 -9.106 26.898 -9.501 1.00 0.00 C ATOM 1483 OG SER A 109 -10.259 27.556 -9.003 1.00 0.00 O ATOM 0 H SER A 109 -6.910 26.230 -10.399 1.00 0.00 H new ATOM 0 HA SER A 109 -8.022 28.712 -9.890 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.253 26.645 -10.551 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.958 25.961 -8.965 1.00 0.00 H new ATOM 0 HG SER A 109 -11.040 26.974 -9.111 1.00 0.00 H new ATOM 1489 N SER A 110 -7.902 29.343 -7.501 1.00 0.00 N ATOM 1490 CA SER A 110 -7.716 29.780 -6.122 1.00 0.00 C ATOM 1491 C SER A 110 -8.441 28.850 -5.154 1.00 0.00 C ATOM 1492 O SER A 110 -7.873 28.411 -4.155 1.00 0.00 O ATOM 1493 CB SER A 110 -8.223 31.213 -5.947 1.00 0.00 C ATOM 1494 OG SER A 110 -7.767 31.770 -4.726 1.00 0.00 O ATOM 0 H SER A 110 -8.255 30.065 -8.129 1.00 0.00 H new ATOM 0 HA SER A 110 -6.650 29.749 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.882 31.827 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.313 31.222 -5.970 1.00 0.00 H new ATOM 0 HG SER A 110 -8.103 32.686 -4.639 1.00 0.00 H new ATOM 1500 N GLY A 111 -9.700 28.553 -5.459 1.00 0.00 N ATOM 1501 CA GLY A 111 -10.483 27.677 -4.607 1.00 0.00 C ATOM 1502 C GLY A 111 -11.974 27.828 -4.834 1.00 0.00 C ATOM 1503 O GLY A 111 -12.620 26.932 -5.376 1.00 0.00 O ATOM 0 H GLY A 111 -10.192 28.903 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -10.194 26.642 -4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.254 27.891 -3.563 1.00 0.00 H new TER 1507 GLY A 111