USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 801 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 78 MET CE :methyl 147:sc= -0.202 (180deg=-3.95!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 ASN : amide:sc= 0.874 X(o=2.3,f=2) USER MOD Set 2.2: A 62 SER OG : rot -31:sc= 1.44 USER MOD Single : A 10 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -102:sc= 1.32 USER MOD Single : A 19 SER OG : rot -94:sc= 0.466 USER MOD Single : A 48 TYR OH : rot -38:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0393) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot -164:sc= 0.717 USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0.577 (180deg=0.558) USER MOD Single : A 58 ASN : amide:sc= 0.695 K(o=0.69,f=-9.3!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 0.699 USER MOD Single : A 64 ASN : amide:sc= 1.08 K(o=1.1,f=-0.98) USER MOD Single : A 67 SER OG : rot 70:sc= 1.1 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 8:sc= 0.667 USER MOD Single : A 76 THR OG1 : rot 109:sc= 1.16 USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= 0.928 (180deg=0.227) USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0758) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0755 USER MOD Single : A 88 THR OG1 : rot 36:sc= 1.21 USER MOD Single : A 95 LYS NZ :NH3+ 136:sc= 1.43 (180deg=0.191) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 100 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 101 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot -157:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.565 -1.289 -9.693 1.00 0.00 N ATOM 36 CA ALA A 3 -2.859 -0.579 -8.639 1.00 0.00 C ATOM 37 C ALA A 3 -1.566 -0.036 -9.243 1.00 0.00 C ATOM 38 O ALA A 3 -0.965 -0.697 -10.099 1.00 0.00 O ATOM 39 CB ALA A 3 -2.531 -1.528 -7.489 1.00 0.00 C ATOM 0 HA ALA A 3 -3.476 0.229 -8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.002 -0.983 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.455 -1.941 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.901 -2.339 -7.855 1.00 0.00 H new ATOM 45 N GLY A 4 -1.128 1.147 -8.811 1.00 0.00 N ATOM 46 CA GLY A 4 0.095 1.733 -9.332 1.00 0.00 C ATOM 47 C GLY A 4 1.335 1.058 -8.742 1.00 0.00 C ATOM 48 O GLY A 4 1.254 0.305 -7.772 1.00 0.00 O ATOM 0 H GLY A 4 -1.603 1.711 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.111 1.640 -10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.116 2.798 -9.103 1.00 0.00 H new ATOM 52 N ALA A 5 2.497 1.346 -9.327 1.00 0.00 N ATOM 53 CA ALA A 5 3.794 0.900 -8.846 1.00 0.00 C ATOM 54 C ALA A 5 4.535 2.171 -8.448 1.00 0.00 C ATOM 55 O ALA A 5 4.504 3.134 -9.214 1.00 0.00 O ATOM 56 CB ALA A 5 4.536 0.143 -9.950 1.00 0.00 C ATOM 0 H ALA A 5 2.558 1.913 -10.173 1.00 0.00 H new ATOM 0 HA ALA A 5 3.710 0.213 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.506 -0.186 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.950 -0.725 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.681 0.800 -10.808 1.00 0.00 H new ATOM 62 N VAL A 6 5.137 2.208 -7.259 1.00 0.00 N ATOM 63 CA VAL A 6 5.859 3.378 -6.777 1.00 0.00 C ATOM 64 C VAL A 6 7.232 2.980 -6.259 1.00 0.00 C ATOM 65 O VAL A 6 7.513 1.816 -5.975 1.00 0.00 O ATOM 66 CB VAL A 6 5.063 4.117 -5.679 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.019 5.045 -6.294 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.387 3.180 -4.674 1.00 0.00 C ATOM 0 H VAL A 6 5.136 1.425 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 6 5.985 4.061 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 6 5.800 4.700 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.472 5.554 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.515 5.784 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.324 4.461 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.847 3.770 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.688 2.528 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.144 2.575 -4.175 1.00 0.00 H new ATOM 78 N ASN A 7 8.078 3.999 -6.141 1.00 0.00 N ATOM 79 CA ASN A 7 9.421 3.943 -5.603 1.00 0.00 C ATOM 80 C ASN A 7 9.625 5.235 -4.826 1.00 0.00 C ATOM 81 O ASN A 7 8.741 6.086 -4.832 1.00 0.00 O ATOM 82 CB ASN A 7 10.450 3.803 -6.731 1.00 0.00 C ATOM 83 CG ASN A 7 10.527 2.373 -7.244 1.00 0.00 C ATOM 84 OD1 ASN A 7 10.164 2.080 -8.377 1.00 0.00 O ATOM 85 ND2 ASN A 7 11.024 1.466 -6.411 1.00 0.00 N ATOM 0 H ASN A 7 7.822 4.941 -6.438 1.00 0.00 H new ATOM 0 HA ASN A 7 9.554 3.077 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.185 4.471 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.430 4.114 -6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.112 0.494 -6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.318 1.741 -5.474 1.00 0.00 H new ATOM 92 N ASP A 8 10.776 5.387 -4.173 1.00 0.00 N ATOM 93 CA ASP A 8 11.107 6.533 -3.327 1.00 0.00 C ATOM 94 C ASP A 8 10.605 7.854 -3.913 1.00 0.00 C ATOM 95 O ASP A 8 9.819 8.563 -3.292 1.00 0.00 O ATOM 96 CB ASP A 8 12.629 6.603 -3.163 1.00 0.00 C ATOM 97 CG ASP A 8 13.045 7.782 -2.288 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.110 8.905 -2.830 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.319 7.535 -1.094 1.00 0.00 O ATOM 0 H ASP A 8 11.526 4.697 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 8 10.613 6.392 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.991 5.675 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.098 6.693 -4.143 1.00 0.00 H new ATOM 104 N ASP A 9 11.072 8.152 -5.120 1.00 0.00 N ATOM 105 CA ASP A 9 10.797 9.371 -5.862 1.00 0.00 C ATOM 106 C ASP A 9 9.301 9.645 -6.033 1.00 0.00 C ATOM 107 O ASP A 9 8.788 10.691 -5.644 1.00 0.00 O ATOM 108 CB ASP A 9 11.508 9.267 -7.226 1.00 0.00 C ATOM 109 CG ASP A 9 10.976 8.212 -8.203 1.00 0.00 C ATOM 110 OD1 ASP A 9 10.520 7.142 -7.733 1.00 0.00 O ATOM 111 OD2 ASP A 9 11.022 8.500 -9.417 1.00 0.00 O ATOM 0 H ASP A 9 11.684 7.516 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 9 11.179 10.220 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.452 10.240 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.563 9.061 -7.045 1.00 0.00 H new ATOM 116 N THR A 10 8.616 8.689 -6.644 1.00 0.00 N ATOM 117 CA THR A 10 7.217 8.742 -7.020 1.00 0.00 C ATOM 118 C THR A 10 6.329 8.764 -5.779 1.00 0.00 C ATOM 119 O THR A 10 5.410 9.576 -5.696 1.00 0.00 O ATOM 120 CB THR A 10 6.922 7.543 -7.937 1.00 0.00 C ATOM 121 OG1 THR A 10 7.665 6.405 -7.528 1.00 0.00 O ATOM 122 CG2 THR A 10 7.308 7.862 -9.383 1.00 0.00 C ATOM 0 H THR A 10 9.051 7.804 -6.904 1.00 0.00 H new ATOM 0 HA THR A 10 6.998 9.660 -7.565 1.00 0.00 H new ATOM 0 HB THR A 10 5.854 7.337 -7.870 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.463 5.652 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.092 7.001 -10.016 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.735 8.722 -9.731 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.373 8.091 -9.433 1.00 0.00 H new ATOM 130 N PHE A 11 6.621 7.881 -4.822 1.00 0.00 N ATOM 131 CA PHE A 11 5.936 7.717 -3.545 1.00 0.00 C ATOM 132 C PHE A 11 5.569 9.066 -2.939 1.00 0.00 C ATOM 133 O PHE A 11 4.427 9.303 -2.560 1.00 0.00 O ATOM 134 CB PHE A 11 6.864 6.946 -2.604 1.00 0.00 C ATOM 135 CG PHE A 11 6.342 6.682 -1.209 1.00 0.00 C ATOM 136 CD1 PHE A 11 6.533 7.643 -0.200 1.00 0.00 C ATOM 137 CD2 PHE A 11 5.815 5.421 -0.879 1.00 0.00 C ATOM 138 CE1 PHE A 11 6.198 7.346 1.130 1.00 0.00 C ATOM 139 CE2 PHE A 11 5.441 5.139 0.445 1.00 0.00 C ATOM 140 CZ PHE A 11 5.631 6.102 1.452 1.00 0.00 C ATOM 0 H PHE A 11 7.392 7.221 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 11 5.007 7.168 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.100 5.988 -3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.800 7.498 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.939 8.612 -0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.698 4.668 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.376 8.075 1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.007 4.181 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.342 5.886 2.470 1.00 0.00 H new ATOM 150 N LYS A 12 6.553 9.954 -2.845 1.00 0.00 N ATOM 151 CA LYS A 12 6.359 11.306 -2.318 1.00 0.00 C ATOM 152 C LYS A 12 5.081 11.937 -2.885 1.00 0.00 C ATOM 153 O LYS A 12 4.217 12.415 -2.152 1.00 0.00 O ATOM 154 CB LYS A 12 7.546 12.210 -2.679 1.00 0.00 C ATOM 155 CG LYS A 12 8.920 11.659 -2.278 1.00 0.00 C ATOM 156 CD LYS A 12 9.077 11.372 -0.779 1.00 0.00 C ATOM 157 CE LYS A 12 10.473 10.792 -0.515 1.00 0.00 C ATOM 158 NZ LYS A 12 10.660 10.443 0.904 1.00 0.00 N ATOM 0 H LYS A 12 7.512 9.759 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 12 6.277 11.220 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.539 12.382 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.405 13.179 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.104 10.739 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.686 12.373 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.937 12.288 -0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.311 10.670 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.620 9.904 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.230 11.517 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.615 10.055 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.544 11.295 1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.953 9.733 1.183 1.00 0.00 H new ATOM 172 N ASN A 13 4.960 11.928 -4.210 1.00 0.00 N ATOM 173 CA ASN A 13 3.820 12.522 -4.882 1.00 0.00 C ATOM 174 C ASN A 13 2.595 11.633 -4.780 1.00 0.00 C ATOM 175 O ASN A 13 1.546 12.038 -4.291 1.00 0.00 O ATOM 176 CB ASN A 13 4.132 12.726 -6.367 1.00 0.00 C ATOM 177 CG ASN A 13 3.146 13.708 -6.981 1.00 0.00 C ATOM 178 OD1 ASN A 13 2.252 13.326 -7.726 1.00 0.00 O ATOM 179 ND2 ASN A 13 3.315 14.987 -6.666 1.00 0.00 N ATOM 0 H ASN A 13 5.646 11.511 -4.839 1.00 0.00 H new ATOM 0 HA ASN A 13 3.618 13.476 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.149 13.100 -6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.080 11.772 -6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.687 15.694 -7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.073 15.263 -6.041 1.00 0.00 H new ATOM 186 N VAL A 14 2.757 10.411 -5.280 1.00 0.00 N ATOM 187 CA VAL A 14 1.677 9.476 -5.481 1.00 0.00 C ATOM 188 C VAL A 14 1.002 9.102 -4.157 1.00 0.00 C ATOM 189 O VAL A 14 -0.222 9.015 -4.084 1.00 0.00 O ATOM 190 CB VAL A 14 2.232 8.237 -6.215 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.193 7.116 -6.355 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.718 8.615 -7.622 1.00 0.00 C ATOM 0 H VAL A 14 3.667 10.044 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 14 0.903 9.938 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 14 3.058 7.872 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.639 6.270 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.865 6.798 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.336 7.482 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.106 7.728 -8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.886 9.023 -8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.507 9.363 -7.546 1.00 0.00 H new ATOM 202 N VAL A 15 1.811 8.849 -3.127 1.00 0.00 N ATOM 203 CA VAL A 15 1.364 8.396 -1.821 1.00 0.00 C ATOM 204 C VAL A 15 1.159 9.567 -0.868 1.00 0.00 C ATOM 205 O VAL A 15 0.046 9.759 -0.385 1.00 0.00 O ATOM 206 CB VAL A 15 2.367 7.382 -1.236 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.884 6.826 0.107 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.594 6.223 -2.212 1.00 0.00 C ATOM 0 H VAL A 15 2.823 8.959 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 15 0.400 7.902 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 15 3.306 7.912 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.615 6.114 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.766 7.644 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.926 6.324 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.305 5.518 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.648 5.715 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.991 6.610 -3.151 1.00 0.00 H new ATOM 218 N LEU A 16 2.205 10.339 -0.558 1.00 0.00 N ATOM 219 CA LEU A 16 2.062 11.381 0.457 1.00 0.00 C ATOM 220 C LEU A 16 1.189 12.522 -0.066 1.00 0.00 C ATOM 221 O LEU A 16 0.101 12.746 0.461 1.00 0.00 O ATOM 222 CB LEU A 16 3.427 11.888 0.952 1.00 0.00 C ATOM 223 CG LEU A 16 4.404 10.768 1.351 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.684 11.404 1.898 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.809 9.844 2.419 1.00 0.00 C ATOM 0 H LEU A 16 3.130 10.266 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 16 1.561 10.942 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.884 12.493 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.271 12.542 1.810 1.00 0.00 H new ATOM 0 HG LEU A 16 4.612 10.166 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.386 10.621 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.135 12.032 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.444 12.013 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.531 9.068 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.572 10.424 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.899 9.382 2.035 1.00 0.00 H new ATOM 237 N GLU A 17 1.616 13.223 -1.120 1.00 0.00 N ATOM 238 CA GLU A 17 0.875 14.371 -1.643 1.00 0.00 C ATOM 239 C GLU A 17 -0.300 13.927 -2.525 1.00 0.00 C ATOM 240 O GLU A 17 -0.462 14.395 -3.651 1.00 0.00 O ATOM 241 CB GLU A 17 1.834 15.307 -2.394 1.00 0.00 C ATOM 242 CG GLU A 17 3.066 15.698 -1.561 1.00 0.00 C ATOM 243 CD GLU A 17 2.687 16.280 -0.202 1.00 0.00 C ATOM 244 OE1 GLU A 17 2.252 17.451 -0.189 1.00 0.00 O ATOM 245 OE2 GLU A 17 2.827 15.540 0.797 1.00 0.00 O ATOM 0 H GLU A 17 2.475 13.013 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 17 0.443 14.921 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.163 14.821 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.298 16.210 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.696 14.821 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.658 16.427 -2.113 1.00 0.00 H new ATOM 252 N SER A 18 -1.139 13.045 -1.985 1.00 0.00 N ATOM 253 CA SER A 18 -2.318 12.499 -2.622 1.00 0.00 C ATOM 254 C SER A 18 -3.533 13.387 -2.342 1.00 0.00 C ATOM 255 O SER A 18 -3.566 14.119 -1.354 1.00 0.00 O ATOM 256 CB SER A 18 -2.531 11.093 -2.055 1.00 0.00 C ATOM 257 OG SER A 18 -2.342 11.099 -0.647 1.00 0.00 O ATOM 0 H SER A 18 -1.001 12.678 -1.043 1.00 0.00 H new ATOM 0 HA SER A 18 -2.189 12.457 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.536 10.745 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.834 10.396 -2.520 1.00 0.00 H new ATOM 0 HG SER A 18 -1.462 10.725 -0.433 1.00 0.00 H new ATOM 263 N SER A 19 -4.532 13.328 -3.226 1.00 0.00 N ATOM 264 CA SER A 19 -5.790 14.040 -3.088 1.00 0.00 C ATOM 265 C SER A 19 -6.731 13.158 -2.266 1.00 0.00 C ATOM 266 O SER A 19 -6.995 13.419 -1.095 1.00 0.00 O ATOM 267 CB SER A 19 -6.332 14.302 -4.497 1.00 0.00 C ATOM 268 OG SER A 19 -6.187 13.125 -5.280 1.00 0.00 O ATOM 0 H SER A 19 -4.480 12.768 -4.077 1.00 0.00 H new ATOM 0 HA SER A 19 -5.680 14.997 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.381 14.593 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.793 15.129 -4.959 1.00 0.00 H new ATOM 0 HG SER A 19 -5.346 13.167 -5.781 1.00 0.00 H new ATOM 274 N VAL A 20 -7.228 12.101 -2.906 1.00 0.00 N ATOM 275 CA VAL A 20 -8.060 11.085 -2.273 1.00 0.00 C ATOM 276 C VAL A 20 -7.140 10.127 -1.505 1.00 0.00 C ATOM 277 O VAL A 20 -5.934 10.125 -1.763 1.00 0.00 O ATOM 278 CB VAL A 20 -8.885 10.337 -3.341 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.853 11.298 -4.042 1.00 0.00 C ATOM 280 CG2 VAL A 20 -8.025 9.619 -4.391 1.00 0.00 C ATOM 0 H VAL A 20 -7.059 11.926 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.765 11.542 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.439 9.567 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.427 10.754 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.533 11.729 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.288 12.095 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.672 9.115 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.403 10.347 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.388 8.884 -3.899 1.00 0.00 H new ATOM 290 N PRO A 21 -7.661 9.332 -0.552 1.00 0.00 N ATOM 291 CA PRO A 21 -6.863 8.353 0.164 1.00 0.00 C ATOM 292 C PRO A 21 -6.063 7.419 -0.738 1.00 0.00 C ATOM 293 O PRO A 21 -6.302 7.332 -1.936 1.00 0.00 O ATOM 294 CB PRO A 21 -7.845 7.561 1.017 1.00 0.00 C ATOM 295 CG PRO A 21 -8.883 8.623 1.362 1.00 0.00 C ATOM 296 CD PRO A 21 -8.972 9.453 0.076 1.00 0.00 C ATOM 0 HA PRO A 21 -6.107 8.870 0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.281 6.725 0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.372 7.147 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.844 8.178 1.622 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.572 9.230 2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.758 9.079 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.208 10.494 0.295 1.00 0.00 H new ATOM 304 N VAL A 22 -5.122 6.697 -0.133 1.00 0.00 N ATOM 305 CA VAL A 22 -4.173 5.807 -0.777 1.00 0.00 C ATOM 306 C VAL A 22 -4.017 4.519 0.029 1.00 0.00 C ATOM 307 O VAL A 22 -4.107 4.578 1.252 1.00 0.00 O ATOM 308 CB VAL A 22 -2.813 6.516 -0.817 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.810 5.765 -1.686 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.902 7.968 -1.298 1.00 0.00 C ATOM 0 H VAL A 22 -4.999 6.723 0.879 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.528 5.561 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.467 6.524 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.860 6.299 -1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.662 4.762 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.191 5.697 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.906 8.411 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.315 7.993 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.548 8.534 -0.627 1.00 0.00 H new ATOM 320 N LEU A 23 -3.737 3.393 -0.642 1.00 0.00 N ATOM 321 CA LEU A 23 -3.365 2.109 -0.049 1.00 0.00 C ATOM 322 C LEU A 23 -2.068 1.694 -0.721 1.00 0.00 C ATOM 323 O LEU A 23 -2.128 1.227 -1.849 1.00 0.00 O ATOM 324 CB LEU A 23 -4.435 1.037 -0.315 1.00 0.00 C ATOM 325 CG LEU A 23 -4.169 -0.312 0.388 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.462 -1.127 0.491 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.137 -1.196 -0.334 1.00 0.00 C ATOM 0 H LEU A 23 -3.766 3.355 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.263 2.207 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.403 1.418 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.503 0.867 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.774 -0.046 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.256 -2.075 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.200 -0.568 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.851 -1.320 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.004 -2.126 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.491 -1.420 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.185 -0.669 -0.393 1.00 0.00 H new ATOM 339 N VAL A 24 -0.908 1.849 -0.087 1.00 0.00 N ATOM 340 CA VAL A 24 0.348 1.425 -0.698 1.00 0.00 C ATOM 341 C VAL A 24 0.839 0.162 0.011 1.00 0.00 C ATOM 342 O VAL A 24 1.003 0.154 1.233 1.00 0.00 O ATOM 343 CB VAL A 24 1.374 2.568 -0.702 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.446 3.294 0.635 1.00 0.00 C ATOM 345 CG2 VAL A 24 2.765 2.064 -1.105 1.00 0.00 C ATOM 0 H VAL A 24 -0.812 2.261 0.841 1.00 0.00 H new ATOM 0 HA VAL A 24 0.195 1.176 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 24 1.029 3.286 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.186 4.092 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.471 3.720 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.732 2.590 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.469 2.896 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.095 1.303 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.720 1.634 -2.106 1.00 0.00 H new ATOM 355 N ASP A 25 1.056 -0.913 -0.757 1.00 0.00 N ATOM 356 CA ASP A 25 1.577 -2.169 -0.245 1.00 0.00 C ATOM 357 C ASP A 25 3.092 -2.169 -0.413 1.00 0.00 C ATOM 358 O ASP A 25 3.588 -2.129 -1.538 1.00 0.00 O ATOM 359 CB ASP A 25 0.961 -3.368 -0.973 1.00 0.00 C ATOM 360 CG ASP A 25 1.606 -4.683 -0.527 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.958 -4.779 0.670 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.742 -5.569 -1.398 1.00 0.00 O ATOM 0 H ASP A 25 0.870 -0.927 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 25 1.315 -2.261 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.111 -3.402 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.086 -3.246 -2.049 1.00 0.00 H new ATOM 367 N PHE A 26 3.838 -2.190 0.686 1.00 0.00 N ATOM 368 CA PHE A 26 5.286 -2.269 0.632 1.00 0.00 C ATOM 369 C PHE A 26 5.599 -3.741 0.377 1.00 0.00 C ATOM 370 O PHE A 26 5.436 -4.558 1.282 1.00 0.00 O ATOM 371 CB PHE A 26 5.889 -1.740 1.937 1.00 0.00 C ATOM 372 CG PHE A 26 5.815 -0.228 2.089 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.574 0.410 2.280 1.00 0.00 C ATOM 374 CD2 PHE A 26 6.996 0.541 2.122 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.528 1.775 2.594 1.00 0.00 C ATOM 376 CE2 PHE A 26 6.948 1.900 2.485 1.00 0.00 C ATOM 377 CZ PHE A 26 5.713 2.491 2.802 1.00 0.00 C ATOM 0 H PHE A 26 3.456 -2.153 1.631 1.00 0.00 H new ATOM 0 HA PHE A 26 5.721 -1.653 -0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.373 -2.204 2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.933 -2.049 1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.657 -0.153 2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.942 0.085 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.575 2.276 2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.855 2.485 2.520 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.678 3.493 3.204 1.00 0.00 H new ATOM 387 N TRP A 27 5.975 -4.078 -0.861 1.00 0.00 N ATOM 388 CA TRP A 27 6.221 -5.447 -1.302 1.00 0.00 C ATOM 389 C TRP A 27 7.682 -5.617 -1.705 1.00 0.00 C ATOM 390 O TRP A 27 8.501 -4.728 -1.497 1.00 0.00 O ATOM 391 CB TRP A 27 5.310 -5.767 -2.502 1.00 0.00 C ATOM 392 CG TRP A 27 5.711 -5.118 -3.791 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.607 -3.804 -4.071 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.395 -5.712 -4.932 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.275 -3.516 -5.243 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.804 -4.662 -5.804 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.750 -7.028 -5.304 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.580 -4.902 -6.947 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.457 -7.281 -6.492 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.885 -6.222 -7.307 1.00 0.00 C ATOM 0 H TRP A 27 6.119 -3.388 -1.598 1.00 0.00 H new ATOM 0 HA TRP A 27 6.002 -6.131 -0.482 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.291 -6.847 -2.647 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.293 -5.460 -2.259 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.078 -3.082 -3.466 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.366 -2.582 -5.642 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.473 -7.853 -4.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.939 -4.077 -7.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.673 -8.299 -6.780 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.447 -6.423 -8.207 1.00 0.00 H new ATOM 411 N ALA A 28 8.006 -6.752 -2.322 1.00 0.00 N ATOM 412 CA ALA A 28 9.303 -7.024 -2.925 1.00 0.00 C ATOM 413 C ALA A 28 9.208 -8.357 -3.662 1.00 0.00 C ATOM 414 O ALA A 28 8.466 -9.229 -3.214 1.00 0.00 O ATOM 415 CB ALA A 28 10.414 -7.114 -1.877 1.00 0.00 C ATOM 0 H ALA A 28 7.352 -7.529 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 28 9.552 -6.206 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.364 -7.318 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.481 -6.170 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.189 -7.918 -1.176 1.00 0.00 H new ATOM 421 N PRO A 29 9.947 -8.558 -4.761 1.00 0.00 N ATOM 422 CA PRO A 29 9.931 -9.814 -5.497 1.00 0.00 C ATOM 423 C PRO A 29 10.280 -11.020 -4.622 1.00 0.00 C ATOM 424 O PRO A 29 9.704 -12.092 -4.797 1.00 0.00 O ATOM 425 CB PRO A 29 10.921 -9.628 -6.647 1.00 0.00 C ATOM 426 CG PRO A 29 11.779 -8.430 -6.233 1.00 0.00 C ATOM 427 CD PRO A 29 10.787 -7.586 -5.440 1.00 0.00 C ATOM 0 HA PRO A 29 8.929 -10.036 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.531 -10.520 -6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.404 -9.438 -7.588 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.634 -8.731 -5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.173 -7.893 -7.096 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.297 -6.936 -4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.200 -6.942 -6.095 1.00 0.00 H new ATOM 435 N TRP A 30 11.221 -10.869 -3.687 1.00 0.00 N ATOM 436 CA TRP A 30 11.567 -11.956 -2.779 1.00 0.00 C ATOM 437 C TRP A 30 10.462 -12.179 -1.741 1.00 0.00 C ATOM 438 O TRP A 30 10.398 -13.248 -1.135 1.00 0.00 O ATOM 439 CB TRP A 30 12.910 -11.665 -2.099 1.00 0.00 C ATOM 440 CG TRP A 30 13.069 -10.316 -1.464 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.770 -9.295 -2.000 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.575 -9.826 -0.178 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.741 -8.210 -1.154 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.008 -8.476 -0.016 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.817 -10.384 0.875 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.687 -7.713 1.117 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.485 -9.628 2.014 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.910 -8.293 2.134 1.00 0.00 C ATOM 0 H TRP A 30 11.751 -10.010 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 30 11.663 -12.874 -3.358 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.074 -12.422 -1.332 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.699 -11.786 -2.841 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.279 -9.325 -2.952 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.203 -7.321 -1.344 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.486 -11.410 0.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.032 -6.694 1.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.899 -10.077 2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.640 -7.715 3.005 1.00 0.00 H new ATOM 459 N CYS A 31 9.572 -11.208 -1.521 1.00 0.00 N ATOM 460 CA CYS A 31 8.518 -11.364 -0.528 1.00 0.00 C ATOM 461 C CYS A 31 7.374 -12.187 -1.116 1.00 0.00 C ATOM 462 O CYS A 31 6.381 -11.641 -1.596 1.00 0.00 O ATOM 463 CB CYS A 31 8.029 -10.008 -0.032 1.00 0.00 C ATOM 464 SG CYS A 31 6.673 -10.169 1.148 1.00 0.00 S ATOM 0 H CYS A 31 9.563 -10.315 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 31 8.921 -11.896 0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.856 -9.474 0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.702 -9.408 -0.881 1.00 0.00 H new ATOM 469 N GLY A 32 7.521 -13.513 -1.064 1.00 0.00 N ATOM 470 CA GLY A 32 6.531 -14.474 -1.539 1.00 0.00 C ATOM 471 C GLY A 32 5.086 -14.067 -1.226 1.00 0.00 C ATOM 472 O GLY A 32 4.298 -13.912 -2.159 1.00 0.00 O ATOM 0 H GLY A 32 8.355 -13.957 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.641 -14.595 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.733 -15.445 -1.087 1.00 0.00 H new ATOM 476 N PRO A 33 4.718 -13.888 0.057 1.00 0.00 N ATOM 477 CA PRO A 33 3.369 -13.502 0.441 1.00 0.00 C ATOM 478 C PRO A 33 2.921 -12.237 -0.283 1.00 0.00 C ATOM 479 O PRO A 33 1.841 -12.192 -0.864 1.00 0.00 O ATOM 480 CB PRO A 33 3.395 -13.309 1.958 1.00 0.00 C ATOM 481 CG PRO A 33 4.548 -14.205 2.404 1.00 0.00 C ATOM 482 CD PRO A 33 5.539 -14.078 1.244 1.00 0.00 C ATOM 0 HA PRO A 33 2.647 -14.269 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.567 -12.267 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.453 -13.607 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.981 -13.869 3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.226 -15.236 2.551 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.214 -13.236 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.158 -14.971 1.156 1.00 0.00 H new ATOM 490 N CYS A 34 3.774 -11.213 -0.271 1.00 0.00 N ATOM 491 CA CYS A 34 3.474 -9.945 -0.920 1.00 0.00 C ATOM 492 C CYS A 34 3.147 -10.212 -2.385 1.00 0.00 C ATOM 493 O CYS A 34 2.126 -9.770 -2.900 1.00 0.00 O ATOM 494 CB CYS A 34 4.648 -8.956 -0.870 1.00 0.00 C ATOM 495 SG CYS A 34 5.460 -8.546 0.692 1.00 0.00 S ATOM 0 H CYS A 34 4.685 -11.242 0.186 1.00 0.00 H new ATOM 0 HA CYS A 34 2.636 -9.499 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.418 -9.342 -1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.294 -8.019 -1.300 1.00 0.00 H new ATOM 500 N ARG A 35 4.028 -10.961 -3.049 1.00 0.00 N ATOM 501 CA ARG A 35 3.926 -11.288 -4.460 1.00 0.00 C ATOM 502 C ARG A 35 2.618 -12.008 -4.775 1.00 0.00 C ATOM 503 O ARG A 35 1.917 -11.622 -5.704 1.00 0.00 O ATOM 504 CB ARG A 35 5.137 -12.143 -4.850 1.00 0.00 C ATOM 505 CG ARG A 35 5.474 -12.014 -6.340 1.00 0.00 C ATOM 506 CD ARG A 35 6.878 -12.572 -6.577 1.00 0.00 C ATOM 507 NE ARG A 35 7.307 -12.393 -7.969 1.00 0.00 N ATOM 508 CZ ARG A 35 8.574 -12.513 -8.393 1.00 0.00 C ATOM 509 NH1 ARG A 35 9.569 -12.746 -7.527 1.00 0.00 N ATOM 510 NH2 ARG A 35 8.840 -12.400 -9.698 1.00 0.00 N ATOM 0 H ARG A 35 4.852 -11.365 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 35 3.922 -10.368 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.000 -11.842 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.935 -13.188 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.745 -12.558 -6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.426 -10.970 -6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.584 -12.074 -5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.895 -13.632 -6.325 1.00 0.00 H new ATOM 0 HE ARG A 35 6.594 -12.162 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.368 -12.834 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.528 -12.835 -7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.084 -12.224 -10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.799 -12.489 -10.033 1.00 0.00 H new ATOM 524 N ILE A 36 2.284 -13.054 -4.017 1.00 0.00 N ATOM 525 CA ILE A 36 1.060 -13.810 -4.288 1.00 0.00 C ATOM 526 C ILE A 36 -0.196 -13.031 -3.863 1.00 0.00 C ATOM 527 O ILE A 36 -1.268 -13.309 -4.394 1.00 0.00 O ATOM 528 CB ILE A 36 1.136 -15.247 -3.725 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.259 -15.339 -2.197 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.338 -15.963 -4.362 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.105 -15.432 -1.507 1.00 0.00 C ATOM 0 H ILE A 36 2.832 -13.392 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 36 0.970 -13.932 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 36 0.187 -15.719 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.856 -16.212 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.793 -14.465 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.404 -16.979 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.210 -15.996 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.253 -15.422 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.037 -15.495 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.694 -14.546 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.630 -16.321 -1.857 1.00 0.00 H new ATOM 543 N ILE A 37 -0.100 -12.061 -2.941 1.00 0.00 N ATOM 544 CA ILE A 37 -1.237 -11.214 -2.557 1.00 0.00 C ATOM 545 C ILE A 37 -1.389 -10.063 -3.578 1.00 0.00 C ATOM 546 O ILE A 37 -2.499 -9.609 -3.858 1.00 0.00 O ATOM 547 CB ILE A 37 -1.053 -10.712 -1.105 1.00 0.00 C ATOM 548 CG1 ILE A 37 -1.121 -11.897 -0.120 1.00 0.00 C ATOM 549 CG2 ILE A 37 -2.158 -9.721 -0.705 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.575 -11.550 1.270 1.00 0.00 C ATOM 0 H ILE A 37 0.763 -11.843 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.163 -11.788 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.082 -10.219 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.156 -12.226 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.556 -12.735 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.996 -9.390 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.133 -8.860 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.129 -10.210 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.649 -12.423 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.469 -11.248 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.156 -10.732 1.695 1.00 0.00 H new ATOM 562 N ALA A 38 -0.288 -9.613 -4.188 1.00 0.00 N ATOM 563 CA ALA A 38 -0.232 -8.529 -5.168 1.00 0.00 C ATOM 564 C ALA A 38 -1.382 -8.509 -6.190 1.00 0.00 C ATOM 565 O ALA A 38 -1.864 -7.417 -6.488 1.00 0.00 O ATOM 566 CB ALA A 38 1.108 -8.554 -5.912 1.00 0.00 C ATOM 0 H ALA A 38 0.631 -10.015 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.340 -7.617 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.136 -7.742 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.923 -8.431 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.219 -9.507 -6.429 1.00 0.00 H new ATOM 572 N PRO A 39 -1.842 -9.639 -6.762 1.00 0.00 N ATOM 573 CA PRO A 39 -2.921 -9.634 -7.730 1.00 0.00 C ATOM 574 C PRO A 39 -4.190 -9.089 -7.086 1.00 0.00 C ATOM 575 O PRO A 39 -4.908 -8.307 -7.709 1.00 0.00 O ATOM 576 CB PRO A 39 -3.101 -11.084 -8.199 1.00 0.00 C ATOM 577 CG PRO A 39 -1.781 -11.749 -7.814 1.00 0.00 C ATOM 578 CD PRO A 39 -1.450 -11.010 -6.523 1.00 0.00 C ATOM 0 HA PRO A 39 -2.698 -8.992 -8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.949 -11.562 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.280 -11.139 -9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.890 -12.822 -7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.013 -11.613 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.992 -11.433 -5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.388 -11.081 -6.289 1.00 0.00 H new ATOM 586 N VAL A 40 -4.466 -9.474 -5.830 1.00 0.00 N ATOM 587 CA VAL A 40 -5.674 -8.959 -5.204 1.00 0.00 C ATOM 588 C VAL A 40 -5.424 -7.504 -4.814 1.00 0.00 C ATOM 589 O VAL A 40 -6.343 -6.704 -4.911 1.00 0.00 O ATOM 590 CB VAL A 40 -6.187 -9.823 -4.046 1.00 0.00 C ATOM 591 CG1 VAL A 40 -7.017 -11.009 -4.552 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.165 -10.320 -3.038 1.00 0.00 C ATOM 0 H VAL A 40 -3.900 -10.104 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.492 -9.003 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.802 -9.115 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.364 -11.599 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.876 -10.639 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.402 -11.633 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.666 -10.917 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.420 -10.932 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.674 -9.468 -2.567 1.00 0.00 H new ATOM 602 N VAL A 41 -4.204 -7.132 -4.393 1.00 0.00 N ATOM 603 CA VAL A 41 -3.897 -5.714 -4.159 1.00 0.00 C ATOM 604 C VAL A 41 -4.276 -4.944 -5.429 1.00 0.00 C ATOM 605 O VAL A 41 -4.903 -3.890 -5.363 1.00 0.00 O ATOM 606 CB VAL A 41 -2.413 -5.468 -3.816 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.162 -3.984 -3.509 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.957 -6.297 -2.615 1.00 0.00 C ATOM 0 H VAL A 41 -3.433 -7.775 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.467 -5.372 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.839 -5.771 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.109 -3.835 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.425 -3.383 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.773 -3.680 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.906 -6.092 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.556 -6.034 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.084 -7.357 -2.835 1.00 0.00 H new ATOM 618 N ASP A 42 -3.919 -5.499 -6.590 1.00 0.00 N ATOM 619 CA ASP A 42 -4.255 -4.906 -7.866 1.00 0.00 C ATOM 620 C ASP A 42 -5.773 -4.799 -8.012 1.00 0.00 C ATOM 621 O ASP A 42 -6.289 -3.698 -8.166 1.00 0.00 O ATOM 622 CB ASP A 42 -3.635 -5.710 -9.015 1.00 0.00 C ATOM 623 CG ASP A 42 -3.353 -4.805 -10.203 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.470 -3.928 -10.065 1.00 0.00 O ATOM 625 OD2 ASP A 42 -4.013 -4.975 -11.248 1.00 0.00 O ATOM 0 H ASP A 42 -3.391 -6.369 -6.661 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.840 -3.899 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.710 -6.181 -8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.311 -6.512 -9.313 1.00 0.00 H new ATOM 630 N GLU A 43 -6.503 -5.916 -7.932 1.00 0.00 N ATOM 631 CA GLU A 43 -7.952 -5.889 -8.131 1.00 0.00 C ATOM 632 C GLU A 43 -8.643 -4.915 -7.169 1.00 0.00 C ATOM 633 O GLU A 43 -9.526 -4.167 -7.592 1.00 0.00 O ATOM 634 CB GLU A 43 -8.536 -7.307 -8.073 1.00 0.00 C ATOM 635 CG GLU A 43 -9.081 -7.754 -6.706 1.00 0.00 C ATOM 636 CD GLU A 43 -9.437 -9.238 -6.701 1.00 0.00 C ATOM 637 OE1 GLU A 43 -8.741 -10.005 -7.400 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.397 -9.590 -5.981 1.00 0.00 O ATOM 0 H GLU A 43 -6.118 -6.839 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.151 -5.505 -9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.341 -7.377 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.763 -8.010 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.337 -7.555 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.964 -7.166 -6.456 1.00 0.00 H new ATOM 645 N ILE A 44 -8.233 -4.894 -5.892 1.00 0.00 N ATOM 646 CA ILE A 44 -8.758 -3.952 -4.907 1.00 0.00 C ATOM 647 C ILE A 44 -8.752 -2.531 -5.486 1.00 0.00 C ATOM 648 O ILE A 44 -9.672 -1.753 -5.224 1.00 0.00 O ATOM 649 CB ILE A 44 -7.945 -4.055 -3.600 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.318 -5.350 -2.858 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.216 -2.864 -2.670 1.00 0.00 C ATOM 652 CD1 ILE A 44 -7.421 -5.586 -1.636 1.00 0.00 C ATOM 0 H ILE A 44 -7.529 -5.531 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.792 -4.201 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.889 -4.056 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.359 -5.299 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.234 -6.196 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.626 -2.971 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.940 -1.938 -3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.275 -2.836 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.717 -6.510 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.382 -5.663 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.525 -4.752 -0.942 1.00 0.00 H new ATOM 664 N ALA A 45 -7.736 -2.182 -6.284 1.00 0.00 N ATOM 665 CA ALA A 45 -7.677 -0.880 -6.926 1.00 0.00 C ATOM 666 C ALA A 45 -8.929 -0.650 -7.766 1.00 0.00 C ATOM 667 O ALA A 45 -9.539 0.405 -7.669 1.00 0.00 O ATOM 668 CB ALA A 45 -6.444 -0.787 -7.822 1.00 0.00 C ATOM 0 H ALA A 45 -6.945 -2.791 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.617 -0.117 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.412 0.194 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.546 -0.928 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.492 -1.560 -8.589 1.00 0.00 H new ATOM 674 N GLY A 46 -9.331 -1.631 -8.577 1.00 0.00 N ATOM 675 CA GLY A 46 -10.513 -1.508 -9.410 1.00 0.00 C ATOM 676 C GLY A 46 -11.738 -1.349 -8.519 1.00 0.00 C ATOM 677 O GLY A 46 -12.604 -0.519 -8.783 1.00 0.00 O ATOM 0 H GLY A 46 -8.846 -2.523 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.417 -0.649 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.620 -2.389 -10.043 1.00 0.00 H new ATOM 681 N GLU A 47 -11.790 -2.142 -7.447 1.00 0.00 N ATOM 682 CA GLU A 47 -12.902 -2.121 -6.513 1.00 0.00 C ATOM 683 C GLU A 47 -13.131 -0.747 -5.865 1.00 0.00 C ATOM 684 O GLU A 47 -14.282 -0.336 -5.737 1.00 0.00 O ATOM 685 CB GLU A 47 -12.688 -3.190 -5.435 1.00 0.00 C ATOM 686 CG GLU A 47 -12.549 -4.601 -6.027 1.00 0.00 C ATOM 687 CD GLU A 47 -12.707 -5.690 -4.968 1.00 0.00 C ATOM 688 OE1 GLU A 47 -11.888 -5.679 -4.023 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.632 -6.518 -5.123 1.00 0.00 O ATOM 0 H GLU A 47 -11.060 -2.814 -7.208 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.803 -2.339 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.792 -2.950 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.526 -3.172 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.299 -4.742 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.573 -4.699 -6.503 1.00 0.00 H new ATOM 696 N TYR A 48 -12.064 -0.065 -5.425 1.00 0.00 N ATOM 697 CA TYR A 48 -12.171 1.199 -4.669 1.00 0.00 C ATOM 698 C TYR A 48 -11.412 2.410 -5.247 1.00 0.00 C ATOM 699 O TYR A 48 -11.275 3.411 -4.538 1.00 0.00 O ATOM 700 CB TYR A 48 -11.689 0.930 -3.233 1.00 0.00 C ATOM 701 CG TYR A 48 -12.537 -0.072 -2.475 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.691 0.355 -1.793 1.00 0.00 C ATOM 703 CD2 TYR A 48 -12.203 -1.438 -2.495 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.515 -0.582 -1.147 1.00 0.00 C ATOM 705 CE2 TYR A 48 -13.058 -2.380 -1.902 1.00 0.00 C ATOM 706 CZ TYR A 48 -14.210 -1.952 -1.221 1.00 0.00 C ATOM 707 OH TYR A 48 -15.026 -2.871 -0.636 1.00 0.00 O ATOM 0 H TYR A 48 -11.103 -0.370 -5.581 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.219 1.492 -4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.661 0.568 -3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.677 1.871 -2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.944 1.405 -1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.288 -1.763 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.381 -0.250 -0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.830 -3.434 -1.969 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.366 -2.514 0.211 1.00 0.00 H new ATOM 717 N LYS A 49 -10.976 2.371 -6.513 1.00 0.00 N ATOM 718 CA LYS A 49 -10.144 3.398 -7.152 1.00 0.00 C ATOM 719 C LYS A 49 -10.528 4.829 -6.766 1.00 0.00 C ATOM 720 O LYS A 49 -9.677 5.625 -6.376 1.00 0.00 O ATOM 721 CB LYS A 49 -10.223 3.256 -8.687 1.00 0.00 C ATOM 722 CG LYS A 49 -8.994 3.849 -9.394 1.00 0.00 C ATOM 723 CD LYS A 49 -7.753 2.955 -9.228 1.00 0.00 C ATOM 724 CE LYS A 49 -6.560 3.482 -10.034 1.00 0.00 C ATOM 725 NZ LYS A 49 -6.117 4.807 -9.565 1.00 0.00 N ATOM 0 H LYS A 49 -11.200 1.599 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.128 3.231 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.315 2.202 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.123 3.754 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.211 3.976 -10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.785 4.840 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.483 2.900 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.990 1.941 -9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.733 2.776 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.833 3.543 -11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.258 5.088 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.868 5.505 -9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.912 4.764 -8.546 1.00 0.00 H new ATOM 739 N ASP A 50 -11.817 5.140 -6.898 1.00 0.00 N ATOM 740 CA ASP A 50 -12.418 6.439 -6.628 1.00 0.00 C ATOM 741 C ASP A 50 -11.926 7.058 -5.321 1.00 0.00 C ATOM 742 O ASP A 50 -11.615 8.245 -5.266 1.00 0.00 O ATOM 743 CB ASP A 50 -13.942 6.265 -6.556 1.00 0.00 C ATOM 744 CG ASP A 50 -14.530 5.744 -7.863 1.00 0.00 C ATOM 745 OD1 ASP A 50 -14.224 4.573 -8.183 1.00 0.00 O ATOM 746 OD2 ASP A 50 -15.263 6.519 -8.514 1.00 0.00 O ATOM 0 H ASP A 50 -12.503 4.454 -7.213 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.128 7.113 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.188 5.575 -5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.403 7.221 -6.309 1.00 0.00 H new ATOM 751 N LYS A 51 -11.909 6.249 -4.263 1.00 0.00 N ATOM 752 CA LYS A 51 -11.548 6.677 -2.918 1.00 0.00 C ATOM 753 C LYS A 51 -10.100 6.340 -2.573 1.00 0.00 C ATOM 754 O LYS A 51 -9.442 7.081 -1.852 1.00 0.00 O ATOM 755 CB LYS A 51 -12.441 5.947 -1.906 1.00 0.00 C ATOM 756 CG LYS A 51 -13.947 6.196 -2.080 1.00 0.00 C ATOM 757 CD LYS A 51 -14.775 5.035 -1.506 1.00 0.00 C ATOM 758 CE LYS A 51 -14.459 4.736 -0.034 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.264 3.610 0.471 1.00 0.00 N ATOM 0 H LYS A 51 -12.151 5.260 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.678 7.758 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.253 4.876 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.150 6.251 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.224 7.125 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.177 6.321 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.835 5.271 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.592 4.139 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.399 4.504 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.653 5.623 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.027 3.433 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.275 3.843 0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.060 2.758 -0.090 1.00 0.00 H new ATOM 773 N LEU A 52 -9.640 5.178 -3.030 1.00 0.00 N ATOM 774 CA LEU A 52 -8.391 4.587 -2.591 1.00 0.00 C ATOM 775 C LEU A 52 -7.377 4.477 -3.727 1.00 0.00 C ATOM 776 O LEU A 52 -7.546 3.671 -4.642 1.00 0.00 O ATOM 777 CB LEU A 52 -8.771 3.214 -2.027 1.00 0.00 C ATOM 778 CG LEU A 52 -7.684 2.553 -1.180 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.533 3.292 0.159 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.143 1.109 -0.945 1.00 0.00 C ATOM 0 H LEU A 52 -10.135 4.618 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.899 5.206 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.671 3.321 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.021 2.552 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.716 2.583 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.756 2.812 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.258 4.330 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.478 3.259 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.401 0.585 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.099 1.112 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.255 0.602 -1.904 1.00 0.00 H new ATOM 792 N LYS A 53 -6.291 5.242 -3.664 1.00 0.00 N ATOM 793 CA LYS A 53 -5.245 5.190 -4.657 1.00 0.00 C ATOM 794 C LYS A 53 -4.410 3.966 -4.286 1.00 0.00 C ATOM 795 O LYS A 53 -3.542 4.025 -3.421 1.00 0.00 O ATOM 796 CB LYS A 53 -4.466 6.517 -4.642 1.00 0.00 C ATOM 797 CG LYS A 53 -3.955 6.912 -6.034 1.00 0.00 C ATOM 798 CD LYS A 53 -2.900 5.921 -6.549 1.00 0.00 C ATOM 799 CE LYS A 53 -2.389 6.342 -7.930 1.00 0.00 C ATOM 800 NZ LYS A 53 -1.359 5.410 -8.422 1.00 0.00 N ATOM 0 H LYS A 53 -6.120 5.915 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.602 5.084 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.109 7.308 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.621 6.431 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.791 6.950 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.526 7.913 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.067 5.872 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.330 4.921 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.220 6.375 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.976 7.350 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.030 5.719 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.557 5.398 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.762 4.454 -8.494 1.00 0.00 H new ATOM 814 N CYS A 54 -4.718 2.820 -4.883 1.00 0.00 N ATOM 815 CA CYS A 54 -4.020 1.593 -4.539 1.00 0.00 C ATOM 816 C CYS A 54 -2.661 1.559 -5.241 1.00 0.00 C ATOM 817 O CYS A 54 -2.568 1.893 -6.427 1.00 0.00 O ATOM 818 CB CYS A 54 -4.876 0.400 -4.923 1.00 0.00 C ATOM 819 SG CYS A 54 -4.047 -1.070 -4.300 1.00 0.00 S ATOM 0 H CYS A 54 -5.438 2.718 -5.598 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.843 1.552 -3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.875 0.489 -4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.996 0.345 -6.005 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.538 -2.124 -4.881 1.00 0.00 H new ATOM 825 N VAL A 55 -1.600 1.200 -4.512 1.00 0.00 N ATOM 826 CA VAL A 55 -0.237 1.223 -5.024 1.00 0.00 C ATOM 827 C VAL A 55 0.613 0.102 -4.424 1.00 0.00 C ATOM 828 O VAL A 55 0.228 -0.529 -3.440 1.00 0.00 O ATOM 829 CB VAL A 55 0.429 2.592 -4.737 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.940 3.195 -6.044 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.465 3.635 -4.056 1.00 0.00 C ATOM 0 H VAL A 55 -1.669 0.884 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.295 1.067 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 55 1.230 2.366 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.408 4.158 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.671 2.523 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.105 3.335 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.100 4.554 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.329 3.842 -4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.803 3.252 -3.093 1.00 0.00 H new ATOM 841 N LYS A 56 1.793 -0.117 -5.010 1.00 0.00 N ATOM 842 CA LYS A 56 2.769 -1.107 -4.579 1.00 0.00 C ATOM 843 C LYS A 56 4.179 -0.492 -4.576 1.00 0.00 C ATOM 844 O LYS A 56 4.686 -0.102 -5.630 1.00 0.00 O ATOM 845 CB LYS A 56 2.655 -2.325 -5.507 1.00 0.00 C ATOM 846 CG LYS A 56 1.730 -3.368 -4.863 1.00 0.00 C ATOM 847 CD LYS A 56 1.321 -4.499 -5.813 1.00 0.00 C ATOM 848 CE LYS A 56 0.240 -4.034 -6.797 1.00 0.00 C ATOM 849 NZ LYS A 56 -0.286 -5.156 -7.594 1.00 0.00 N ATOM 0 H LYS A 56 2.101 0.412 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 56 2.574 -1.433 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.261 -2.022 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.641 -2.756 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.230 -3.798 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.832 -2.869 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.194 -4.847 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.951 -5.346 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.575 -3.564 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.654 -3.277 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.939 -4.792 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.502 -5.652 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.793 -5.817 -6.971 1.00 0.00 H new ATOM 863 N LEU A 57 4.808 -0.400 -3.395 1.00 0.00 N ATOM 864 CA LEU A 57 6.151 0.154 -3.200 1.00 0.00 C ATOM 865 C LEU A 57 7.165 -0.982 -3.113 1.00 0.00 C ATOM 866 O LEU A 57 7.068 -1.863 -2.259 1.00 0.00 O ATOM 867 CB LEU A 57 6.167 1.044 -1.944 1.00 0.00 C ATOM 868 CG LEU A 57 7.448 1.780 -1.543 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.510 0.837 -0.974 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.005 2.619 -2.688 1.00 0.00 C ATOM 0 H LEU A 57 4.381 -0.719 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 57 6.428 0.779 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.387 1.795 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.875 0.419 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 57 7.170 2.464 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.398 1.409 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.117 0.339 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.772 0.090 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.914 3.124 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.235 1.972 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.265 3.361 -2.988 1.00 0.00 H new ATOM 882 N ASN A 58 8.145 -0.980 -4.022 1.00 0.00 N ATOM 883 CA ASN A 58 9.187 -1.999 -4.043 1.00 0.00 C ATOM 884 C ASN A 58 10.198 -1.748 -2.918 1.00 0.00 C ATOM 885 O ASN A 58 11.085 -0.904 -3.024 1.00 0.00 O ATOM 886 CB ASN A 58 9.871 -2.030 -5.410 1.00 0.00 C ATOM 887 CG ASN A 58 10.961 -3.099 -5.434 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.976 -2.963 -4.764 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.775 -4.178 -6.186 1.00 0.00 N ATOM 0 H ASN A 58 8.234 -0.277 -4.756 1.00 0.00 H new ATOM 0 HA ASN A 58 8.733 -2.975 -3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.135 -2.234 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.304 -1.054 -5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.485 -4.910 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.923 -4.274 -6.738 1.00 0.00 H new ATOM 896 N THR A 59 10.097 -2.533 -1.850 1.00 0.00 N ATOM 897 CA THR A 59 10.890 -2.443 -0.632 1.00 0.00 C ATOM 898 C THR A 59 12.246 -3.133 -0.800 1.00 0.00 C ATOM 899 O THR A 59 12.663 -3.939 0.029 1.00 0.00 O ATOM 900 CB THR A 59 10.087 -3.075 0.516 1.00 0.00 C ATOM 901 OG1 THR A 59 8.721 -2.723 0.407 1.00 0.00 O ATOM 902 CG2 THR A 59 10.609 -2.602 1.873 1.00 0.00 C ATOM 0 H THR A 59 9.419 -3.294 -1.811 1.00 0.00 H new ATOM 0 HA THR A 59 11.095 -1.397 -0.406 1.00 0.00 H new ATOM 0 HB THR A 59 10.200 -4.157 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.273 -3.338 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.024 -3.063 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.656 -2.887 1.980 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.520 -1.518 1.939 1.00 0.00 H new ATOM 910 N ASP A 60 12.933 -2.827 -1.895 1.00 0.00 N ATOM 911 CA ASP A 60 14.263 -3.341 -2.202 1.00 0.00 C ATOM 912 C ASP A 60 14.996 -2.215 -2.930 1.00 0.00 C ATOM 913 O ASP A 60 16.095 -1.811 -2.560 1.00 0.00 O ATOM 914 CB ASP A 60 14.112 -4.631 -3.015 1.00 0.00 C ATOM 915 CG ASP A 60 15.400 -5.440 -3.068 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.341 -4.971 -3.740 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.399 -6.528 -2.446 1.00 0.00 O ATOM 0 H ASP A 60 12.571 -2.198 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 60 14.848 -3.614 -1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.321 -5.241 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.800 -4.383 -4.030 1.00 0.00 H new ATOM 922 N GLU A 61 14.290 -1.644 -3.907 1.00 0.00 N ATOM 923 CA GLU A 61 14.646 -0.454 -4.657 1.00 0.00 C ATOM 924 C GLU A 61 14.274 0.802 -3.850 1.00 0.00 C ATOM 925 O GLU A 61 14.854 1.865 -4.055 1.00 0.00 O ATOM 926 CB GLU A 61 13.881 -0.509 -5.986 1.00 0.00 C ATOM 927 CG GLU A 61 14.197 0.652 -6.937 1.00 0.00 C ATOM 928 CD GLU A 61 15.655 0.659 -7.389 1.00 0.00 C ATOM 929 OE1 GLU A 61 16.120 -0.417 -7.825 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.277 1.739 -7.295 1.00 0.00 O ATOM 0 H GLU A 61 13.396 -2.032 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 61 15.718 -0.411 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.112 -1.449 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.811 -0.513 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.549 0.587 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.969 1.596 -6.441 1.00 0.00 H new ATOM 937 N SER A 62 13.278 0.720 -2.957 1.00 0.00 N ATOM 938 CA SER A 62 12.838 1.829 -2.117 1.00 0.00 C ATOM 939 C SER A 62 12.658 1.454 -0.640 1.00 0.00 C ATOM 940 O SER A 62 11.584 1.633 -0.075 1.00 0.00 O ATOM 941 CB SER A 62 11.561 2.424 -2.718 1.00 0.00 C ATOM 942 OG SER A 62 11.861 2.782 -4.060 1.00 0.00 O ATOM 0 H SER A 62 12.749 -0.138 -2.800 1.00 0.00 H new ATOM 0 HA SER A 62 13.629 2.579 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.746 1.701 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.237 3.296 -2.150 1.00 0.00 H new ATOM 0 HG SER A 62 12.805 3.038 -4.127 1.00 0.00 H new ATOM 948 N PRO A 63 13.736 1.004 0.014 1.00 0.00 N ATOM 949 CA PRO A 63 13.785 0.694 1.425 1.00 0.00 C ATOM 950 C PRO A 63 13.795 2.000 2.213 1.00 0.00 C ATOM 951 O PRO A 63 13.421 2.016 3.377 1.00 0.00 O ATOM 952 CB PRO A 63 15.085 -0.084 1.633 1.00 0.00 C ATOM 953 CG PRO A 63 16.000 0.461 0.537 1.00 0.00 C ATOM 954 CD PRO A 63 15.027 0.786 -0.593 1.00 0.00 C ATOM 0 HA PRO A 63 12.929 0.109 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 63 15.501 0.086 2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 63 14.931 -1.158 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 63 16.544 1.346 0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 63 16.744 -0.274 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.351 1.672 -1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.982 -0.033 -1.311 1.00 0.00 H new ATOM 962 N ASN A 64 14.243 3.086 1.575 1.00 0.00 N ATOM 963 CA ASN A 64 14.274 4.445 2.100 1.00 0.00 C ATOM 964 C ASN A 64 13.046 4.732 2.948 1.00 0.00 C ATOM 965 O ASN A 64 13.119 4.847 4.171 1.00 0.00 O ATOM 966 CB ASN A 64 14.316 5.436 0.929 1.00 0.00 C ATOM 967 CG ASN A 64 15.649 5.474 0.192 1.00 0.00 C ATOM 968 OD1 ASN A 64 16.504 4.613 0.374 1.00 0.00 O ATOM 969 ND2 ASN A 64 15.814 6.460 -0.679 1.00 0.00 N ATOM 0 H ASN A 64 14.613 3.032 0.626 1.00 0.00 H new ATOM 0 HA ASN A 64 15.160 4.553 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.529 5.178 0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.092 6.435 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.674 6.520 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.081 7.158 -0.804 1.00 0.00 H new ATOM 976 N VAL A 65 11.899 4.810 2.282 1.00 0.00 N ATOM 977 CA VAL A 65 10.658 5.171 2.931 1.00 0.00 C ATOM 978 C VAL A 65 10.266 4.105 3.945 1.00 0.00 C ATOM 979 O VAL A 65 9.754 4.425 5.017 1.00 0.00 O ATOM 980 CB VAL A 65 9.588 5.452 1.866 1.00 0.00 C ATOM 981 CG1 VAL A 65 9.727 6.921 1.461 1.00 0.00 C ATOM 982 CG2 VAL A 65 9.691 4.580 0.605 1.00 0.00 C ATOM 0 H VAL A 65 11.810 4.625 1.283 1.00 0.00 H new ATOM 0 HA VAL A 65 10.773 6.092 3.503 1.00 0.00 H new ATOM 0 HB VAL A 65 8.621 5.215 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.982 7.162 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.574 7.555 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.724 7.094 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.895 4.849 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.658 4.741 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.593 3.530 0.880 1.00 0.00 H new ATOM 992 N ALA A 66 10.548 2.839 3.629 1.00 0.00 N ATOM 993 CA ALA A 66 10.252 1.759 4.560 1.00 0.00 C ATOM 994 C ALA A 66 11.007 1.986 5.875 1.00 0.00 C ATOM 995 O ALA A 66 10.464 1.756 6.951 1.00 0.00 O ATOM 996 CB ALA A 66 10.612 0.416 3.926 1.00 0.00 C ATOM 0 H ALA A 66 10.974 2.544 2.750 1.00 0.00 H new ATOM 0 HA ALA A 66 9.186 1.747 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.389 -0.389 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.030 0.276 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.675 0.401 3.683 1.00 0.00 H new ATOM 1002 N SER A 67 12.246 2.471 5.787 1.00 0.00 N ATOM 1003 CA SER A 67 13.089 2.764 6.933 1.00 0.00 C ATOM 1004 C SER A 67 12.579 4.013 7.650 1.00 0.00 C ATOM 1005 O SER A 67 12.479 4.023 8.873 1.00 0.00 O ATOM 1006 CB SER A 67 14.542 2.937 6.479 1.00 0.00 C ATOM 1007 OG SER A 67 14.946 1.827 5.700 1.00 0.00 O ATOM 0 H SER A 67 12.696 2.674 4.894 1.00 0.00 H new ATOM 0 HA SER A 67 13.050 1.932 7.636 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.642 3.854 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.193 3.037 7.348 1.00 0.00 H new ATOM 0 HG SER A 67 14.483 1.848 4.836 1.00 0.00 H new ATOM 1013 N GLU A 68 12.252 5.059 6.884 1.00 0.00 N ATOM 1014 CA GLU A 68 11.728 6.314 7.419 1.00 0.00 C ATOM 1015 C GLU A 68 10.488 6.051 8.279 1.00 0.00 C ATOM 1016 O GLU A 68 10.375 6.595 9.374 1.00 0.00 O ATOM 1017 CB GLU A 68 11.378 7.274 6.275 1.00 0.00 C ATOM 1018 CG GLU A 68 12.625 7.800 5.550 1.00 0.00 C ATOM 1019 CD GLU A 68 12.270 8.423 4.202 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.349 9.269 4.188 1.00 0.00 O ATOM 1021 OE2 GLU A 68 12.910 8.030 3.203 1.00 0.00 O ATOM 0 H GLU A 68 12.345 5.056 5.868 1.00 0.00 H new ATOM 0 HA GLU A 68 12.496 6.772 8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.734 6.763 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.810 8.115 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.124 8.541 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.331 6.983 5.399 1.00 0.00 H new ATOM 1028 N TYR A 69 9.560 5.225 7.786 1.00 0.00 N ATOM 1029 CA TYR A 69 8.352 4.904 8.537 1.00 0.00 C ATOM 1030 C TYR A 69 8.655 3.852 9.611 1.00 0.00 C ATOM 1031 O TYR A 69 8.057 3.890 10.683 1.00 0.00 O ATOM 1032 CB TYR A 69 7.250 4.436 7.581 1.00 0.00 C ATOM 1033 CG TYR A 69 6.474 5.582 6.954 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.931 6.192 5.771 1.00 0.00 C ATOM 1035 CD2 TYR A 69 5.396 6.154 7.656 1.00 0.00 C ATOM 1036 CE1 TYR A 69 6.364 7.400 5.330 1.00 0.00 C ATOM 1037 CE2 TYR A 69 4.816 7.353 7.205 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.329 7.998 6.069 1.00 0.00 C ATOM 1039 OH TYR A 69 4.846 9.220 5.711 1.00 0.00 O ATOM 0 H TYR A 69 9.625 4.771 6.875 1.00 0.00 H new ATOM 0 HA TYR A 69 7.996 5.799 9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.696 3.833 6.790 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.558 3.791 8.123 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.722 5.729 5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.014 5.671 8.543 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.723 7.868 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.975 7.778 7.733 1.00 0.00 H new ATOM 0 HH TYR A 69 4.133 9.484 6.329 1.00 0.00 H new ATOM 1049 N GLY A 70 9.563 2.914 9.331 1.00 0.00 N ATOM 1050 CA GLY A 70 10.008 1.912 10.292 1.00 0.00 C ATOM 1051 C GLY A 70 9.269 0.592 10.118 1.00 0.00 C ATOM 1052 O GLY A 70 8.684 0.060 11.059 1.00 0.00 O ATOM 0 H GLY A 70 10.013 2.831 8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.079 1.747 10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.852 2.285 11.304 1.00 0.00 H new ATOM 1056 N ILE A 71 9.303 0.049 8.903 1.00 0.00 N ATOM 1057 CA ILE A 71 8.650 -1.208 8.579 1.00 0.00 C ATOM 1058 C ILE A 71 9.500 -2.367 9.103 1.00 0.00 C ATOM 1059 O ILE A 71 10.650 -2.536 8.702 1.00 0.00 O ATOM 1060 CB ILE A 71 8.423 -1.274 7.062 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.461 -0.133 6.693 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.846 -2.636 6.661 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.030 -0.154 5.228 1.00 0.00 C ATOM 0 H ILE A 71 9.789 0.475 8.114 1.00 0.00 H new ATOM 0 HA ILE A 71 7.675 -1.281 9.060 1.00 0.00 H new ATOM 0 HB ILE A 71 9.365 -1.160 6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.576 -0.195 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.941 0.821 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.692 -2.663 5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.542 -3.425 6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.893 -2.791 7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.352 0.678 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.908 -0.061 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.522 -1.094 5.012 1.00 0.00 H new ATOM 1075 N ARG A 72 8.919 -3.198 9.974 1.00 0.00 N ATOM 1076 CA ARG A 72 9.621 -4.312 10.598 1.00 0.00 C ATOM 1077 C ARG A 72 9.731 -5.510 9.649 1.00 0.00 C ATOM 1078 O ARG A 72 10.716 -6.247 9.697 1.00 0.00 O ATOM 1079 CB ARG A 72 8.882 -4.695 11.891 1.00 0.00 C ATOM 1080 CG ARG A 72 9.440 -5.943 12.593 1.00 0.00 C ATOM 1081 CD ARG A 72 10.911 -5.797 13.006 1.00 0.00 C ATOM 1082 NE ARG A 72 11.416 -7.044 13.595 1.00 0.00 N ATOM 1083 CZ ARG A 72 11.804 -8.122 12.895 1.00 0.00 C ATOM 1084 NH1 ARG A 72 11.760 -8.125 11.557 1.00 0.00 N ATOM 1085 NH2 ARG A 72 12.237 -9.205 13.548 1.00 0.00 N ATOM 0 H ARG A 72 7.945 -3.112 10.264 1.00 0.00 H new ATOM 0 HA ARG A 72 10.640 -4.007 10.835 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.925 -3.854 12.583 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.830 -4.863 11.658 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.840 -6.153 13.478 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.339 -6.801 11.929 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.512 -5.531 12.137 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.012 -4.984 13.724 1.00 0.00 H new ATOM 0 HE ARG A 72 11.476 -7.095 14.612 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.428 -7.301 11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.058 -8.951 11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.270 -9.207 14.567 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.534 -10.030 13.027 1.00 0.00 H new ATOM 1099 N SER A 73 8.713 -5.751 8.820 1.00 0.00 N ATOM 1100 CA SER A 73 8.663 -6.837 7.849 1.00 0.00 C ATOM 1101 C SER A 73 7.637 -6.451 6.789 1.00 0.00 C ATOM 1102 O SER A 73 6.896 -5.488 6.987 1.00 0.00 O ATOM 1103 CB SER A 73 8.264 -8.154 8.531 1.00 0.00 C ATOM 1104 OG SER A 73 9.241 -8.563 9.469 1.00 0.00 O ATOM 0 H SER A 73 7.873 -5.173 8.809 1.00 0.00 H new ATOM 0 HA SER A 73 9.643 -6.990 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.304 -8.030 9.033 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.132 -8.931 7.778 1.00 0.00 H new ATOM 0 HG SER A 73 9.908 -7.853 9.577 1.00 0.00 H new ATOM 1110 N ILE A 74 7.584 -7.186 5.678 1.00 0.00 N ATOM 1111 CA ILE A 74 6.637 -6.949 4.604 1.00 0.00 C ATOM 1112 C ILE A 74 5.883 -8.263 4.377 1.00 0.00 C ATOM 1113 O ILE A 74 6.431 -9.315 4.708 1.00 0.00 O ATOM 1114 CB ILE A 74 7.358 -6.430 3.348 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.554 -7.291 2.926 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.786 -4.975 3.588 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.091 -6.785 1.584 1.00 0.00 C ATOM 0 H ILE A 74 8.209 -7.972 5.503 1.00 0.00 H new ATOM 0 HA ILE A 74 5.920 -6.169 4.860 1.00 0.00 H new ATOM 0 HB ILE A 74 6.655 -6.488 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.336 -7.245 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.253 -8.335 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.299 -4.596 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.905 -4.365 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.459 -4.930 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.942 -7.394 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.307 -6.853 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.406 -5.747 1.687 1.00 0.00 H new ATOM 1129 N PRO A 75 4.651 -8.253 3.848 1.00 0.00 N ATOM 1130 CA PRO A 75 3.907 -7.092 3.390 1.00 0.00 C ATOM 1131 C PRO A 75 3.517 -6.166 4.537 1.00 0.00 C ATOM 1132 O PRO A 75 3.376 -6.586 5.687 1.00 0.00 O ATOM 1133 CB PRO A 75 2.670 -7.631 2.670 1.00 0.00 C ATOM 1134 CG PRO A 75 2.466 -9.008 3.294 1.00 0.00 C ATOM 1135 CD PRO A 75 3.875 -9.464 3.674 1.00 0.00 C ATOM 0 HA PRO A 75 4.523 -6.486 2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.804 -6.988 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.829 -7.698 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.816 -8.956 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.001 -9.698 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.861 -10.054 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.305 -10.095 2.896 1.00 0.00 H new ATOM 1143 N THR A 76 3.432 -4.886 4.199 1.00 0.00 N ATOM 1144 CA THR A 76 3.010 -3.827 5.083 1.00 0.00 C ATOM 1145 C THR A 76 2.228 -2.874 4.192 1.00 0.00 C ATOM 1146 O THR A 76 2.796 -2.198 3.333 1.00 0.00 O ATOM 1147 CB THR A 76 4.200 -3.181 5.810 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.620 -4.016 6.872 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.800 -1.846 6.440 1.00 0.00 C ATOM 0 H THR A 76 3.666 -4.553 3.264 1.00 0.00 H new ATOM 0 HA THR A 76 2.385 -4.181 5.903 1.00 0.00 H new ATOM 0 HB THR A 76 4.990 -3.034 5.073 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.480 -4.428 6.644 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.661 -1.411 6.948 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.455 -1.165 5.662 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.998 -2.009 7.160 1.00 0.00 H new ATOM 1157 N ILE A 77 0.908 -2.897 4.348 1.00 0.00 N ATOM 1158 CA ILE A 77 -0.014 -2.058 3.619 1.00 0.00 C ATOM 1159 C ILE A 77 -0.161 -0.797 4.450 1.00 0.00 C ATOM 1160 O ILE A 77 -0.616 -0.901 5.584 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.365 -2.783 3.447 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -1.303 -3.931 2.421 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.419 -1.776 2.973 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -0.537 -5.165 2.906 1.00 0.00 C ATOM 0 H ILE A 77 0.445 -3.522 5.007 1.00 0.00 H new ATOM 0 HA ILE A 77 0.342 -1.824 2.616 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.621 -3.211 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.320 -4.227 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.835 -3.563 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.376 -2.282 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.521 -0.981 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.110 -1.347 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.540 -5.926 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.491 -4.887 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.016 -5.562 3.801 1.00 0.00 H new ATOM 1176 N MET A 78 0.251 0.368 3.950 1.00 0.00 N ATOM 1177 CA MET A 78 0.048 1.633 4.642 1.00 0.00 C ATOM 1178 C MET A 78 -1.061 2.385 3.927 1.00 0.00 C ATOM 1179 O MET A 78 -1.074 2.452 2.696 1.00 0.00 O ATOM 1180 CB MET A 78 1.308 2.495 4.640 1.00 0.00 C ATOM 1181 CG MET A 78 2.447 1.891 5.451 1.00 0.00 C ATOM 1182 SD MET A 78 3.861 2.989 5.708 1.00 0.00 S ATOM 1183 CE MET A 78 4.752 1.980 6.904 1.00 0.00 C ATOM 0 H MET A 78 0.733 0.457 3.056 1.00 0.00 H new ATOM 0 HA MET A 78 -0.209 1.424 5.680 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.640 2.641 3.612 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.068 3.480 5.040 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.060 1.586 6.423 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.793 0.988 4.948 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.825 2.120 6.770 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.470 2.279 7.914 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.501 0.930 6.753 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.985 2.943 4.703 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.047 3.777 4.174 1.00 0.00 C ATOM 1195 C VAL A 79 -2.635 5.221 4.386 1.00 0.00 C ATOM 1196 O VAL A 79 -2.116 5.542 5.452 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.380 3.522 4.892 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.429 4.553 4.433 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.876 2.104 4.599 1.00 0.00 C ATOM 0 H VAL A 79 -2.014 2.827 5.716 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.194 3.548 3.119 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.227 3.624 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.372 4.366 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.080 5.558 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.578 4.466 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.822 1.936 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.021 1.984 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.139 1.381 4.949 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.900 6.093 3.413 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.688 7.523 3.573 1.00 0.00 C ATOM 1211 C PHE A 80 -3.965 8.255 3.191 1.00 0.00 C ATOM 1212 O PHE A 80 -4.822 7.702 2.498 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.514 8.037 2.746 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.151 7.516 3.155 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.216 6.186 2.883 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.762 8.369 3.801 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.482 5.714 3.271 1.00 0.00 C ATOM 1218 CE2 PHE A 80 1.985 7.865 4.274 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.353 6.537 4.001 1.00 0.00 C ATOM 0 H PHE A 80 -3.265 5.826 2.499 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.439 7.713 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.685 7.775 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.500 9.125 2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.474 5.528 2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.522 9.414 3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.786 4.712 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.643 8.500 4.849 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.300 6.152 4.351 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.056 9.505 3.653 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.225 10.352 3.459 1.00 0.00 C ATOM 1231 C LYS A 81 -4.822 11.828 3.454 1.00 0.00 C ATOM 1232 O LYS A 81 -5.352 12.632 4.218 1.00 0.00 O ATOM 1233 CB LYS A 81 -6.287 9.988 4.519 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.057 10.450 5.971 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.599 10.465 6.451 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.562 10.862 7.929 1.00 0.00 C ATOM 1237 NZ LYS A 81 -3.183 11.055 8.405 1.00 0.00 N ATOM 0 H LYS A 81 -3.308 9.958 4.178 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.677 10.176 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.242 10.396 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.390 8.903 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.465 11.455 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.630 9.800 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.148 9.482 6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.015 11.169 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.129 11.782 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.049 10.090 8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.180 11.728 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.795 10.144 8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.598 11.429 7.631 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.872 12.186 2.587 1.00 0.00 N ATOM 1252 CA GLY A 82 -3.405 13.558 2.493 1.00 0.00 C ATOM 1253 C GLY A 82 -2.170 13.769 3.361 1.00 0.00 C ATOM 1254 O GLY A 82 -2.266 13.967 4.573 1.00 0.00 O ATOM 0 H GLY A 82 -3.415 11.540 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.171 13.797 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.196 14.239 2.807 1.00 0.00 H new ATOM 1258 N GLY A 83 -0.993 13.720 2.741 1.00 0.00 N ATOM 1259 CA GLY A 83 0.280 13.948 3.395 1.00 0.00 C ATOM 1260 C GLY A 83 0.685 12.779 4.281 1.00 0.00 C ATOM 1261 O GLY A 83 1.594 12.023 3.947 1.00 0.00 O ATOM 0 H GLY A 83 -0.903 13.515 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.050 14.115 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.221 14.855 3.997 1.00 0.00 H new ATOM 1265 N LYS A 84 0.012 12.639 5.420 1.00 0.00 N ATOM 1266 CA LYS A 84 0.352 11.652 6.431 1.00 0.00 C ATOM 1267 C LYS A 84 -0.446 10.352 6.295 1.00 0.00 C ATOM 1268 O LYS A 84 -1.454 10.255 5.584 1.00 0.00 O ATOM 1269 CB LYS A 84 0.167 12.273 7.821 1.00 0.00 C ATOM 1270 CG LYS A 84 1.121 13.460 8.012 1.00 0.00 C ATOM 1271 CD LYS A 84 1.166 13.930 9.472 1.00 0.00 C ATOM 1272 CE LYS A 84 -0.197 14.382 10.015 1.00 0.00 C ATOM 1273 NZ LYS A 84 -0.798 15.444 9.188 1.00 0.00 N ATOM 0 H LYS A 84 -0.793 13.216 5.666 1.00 0.00 H new ATOM 0 HA LYS A 84 1.395 11.372 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.864 12.605 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.353 11.522 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.123 13.175 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.805 14.286 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.545 13.119 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.873 14.755 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.873 13.528 10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.078 14.742 11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.684 15.767 9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.137 16.243 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.998 15.072 8.238 1.00 0.00 H new ATOM 1287 N LYS A 85 0.069 9.345 7.003 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.449 7.993 7.069 1.00 0.00 C ATOM 1289 C LYS A 85 -1.666 7.964 7.992 1.00 0.00 C ATOM 1290 O LYS A 85 -1.694 8.666 9.001 1.00 0.00 O ATOM 1291 CB LYS A 85 0.661 7.073 7.597 1.00 0.00 C ATOM 1292 CG LYS A 85 0.351 5.592 7.350 1.00 0.00 C ATOM 1293 CD LYS A 85 1.461 4.673 7.873 1.00 0.00 C ATOM 1294 CE LYS A 85 1.507 4.619 9.405 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.510 3.647 9.874 1.00 0.00 N ATOM 0 H LYS A 85 0.905 9.466 7.575 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.759 7.649 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.604 7.330 7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.793 7.242 8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.591 5.334 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.216 5.424 6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.309 3.667 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.423 5.020 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.742 5.607 9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.525 4.347 9.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.519 3.632 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.270 2.700 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.450 3.922 9.524 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.674 7.169 7.640 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.879 6.976 8.432 1.00 0.00 C ATOM 1311 C CYS A 86 -3.645 5.822 9.403 1.00 0.00 C ATOM 1312 O CYS A 86 -3.606 6.016 10.614 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.056 6.665 7.505 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.537 6.366 8.494 1.00 0.00 S ATOM 0 H CYS A 86 -2.672 6.630 6.774 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.111 7.880 8.994 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.224 7.497 6.821 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.831 5.791 6.894 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.538 6.104 7.708 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.467 4.624 8.842 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.232 3.373 9.548 1.00 0.00 C ATOM 1322 C GLU A 87 -2.404 2.458 8.637 1.00 0.00 C ATOM 1323 O GLU A 87 -1.994 2.872 7.551 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.578 2.713 9.894 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.456 3.477 10.896 1.00 0.00 C ATOM 1326 CD GLU A 87 -4.810 3.651 12.270 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -3.896 2.855 12.582 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.269 4.555 13.001 1.00 0.00 O ATOM 0 H GLU A 87 -3.485 4.499 7.830 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.692 3.554 10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.144 2.579 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.382 1.719 10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.688 4.460 10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.402 2.949 11.013 1.00 0.00 H new ATOM 1335 N THR A 88 -2.167 1.210 9.056 1.00 0.00 N ATOM 1336 CA THR A 88 -1.402 0.240 8.288 1.00 0.00 C ATOM 1337 C THR A 88 -1.834 -1.180 8.677 1.00 0.00 C ATOM 1338 O THR A 88 -2.555 -1.347 9.662 1.00 0.00 O ATOM 1339 CB THR A 88 0.101 0.496 8.521 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.902 -0.383 7.762 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.501 0.334 9.993 1.00 0.00 C ATOM 0 H THR A 88 -2.507 0.848 9.947 1.00 0.00 H new ATOM 0 HA THR A 88 -1.593 0.346 7.220 1.00 0.00 H new ATOM 0 HB THR A 88 0.269 1.527 8.209 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.471 -0.556 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.569 0.525 10.103 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.059 1.043 10.602 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.278 -0.681 10.321 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.442 -2.186 7.893 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.695 -3.601 8.131 1.00 0.00 C ATOM 1351 C ILE A 89 -0.373 -4.304 7.829 1.00 0.00 C ATOM 1352 O ILE A 89 0.110 -4.196 6.704 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.820 -4.145 7.223 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -4.029 -3.194 7.158 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.242 -5.525 7.750 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -5.108 -3.683 6.188 1.00 0.00 C ATOM 0 H ILE A 89 -0.915 -2.024 7.035 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.030 -3.772 9.154 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.440 -4.227 6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.460 -3.091 8.154 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.692 -2.203 6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.037 -5.927 7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.386 -6.200 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.603 -5.429 8.774 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.938 -2.976 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.688 -3.760 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.468 -4.661 6.507 1.00 0.00 H new ATOM 1368 N ILE A 90 0.223 -4.976 8.817 1.00 0.00 N ATOM 1369 CA ILE A 90 1.513 -5.649 8.695 1.00 0.00 C ATOM 1370 C ILE A 90 1.285 -7.160 8.655 1.00 0.00 C ATOM 1371 O ILE A 90 0.441 -7.673 9.389 1.00 0.00 O ATOM 1372 CB ILE A 90 2.412 -5.242 9.884 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.595 -3.710 9.892 1.00 0.00 C ATOM 1374 CG2 ILE A 90 3.777 -5.948 9.800 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.486 -3.201 11.029 1.00 0.00 C ATOM 0 H ILE A 90 -0.190 -5.068 9.745 1.00 0.00 H new ATOM 0 HA ILE A 90 2.015 -5.355 7.774 1.00 0.00 H new ATOM 0 HB ILE A 90 1.931 -5.549 10.813 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.024 -3.400 8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.616 -3.237 9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.395 -5.648 10.646 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.630 -7.028 9.823 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.274 -5.669 8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.568 -2.116 10.969 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.048 -3.480 11.987 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.478 -3.645 10.941 1.00 0.00 H new ATOM 1387 N GLY A 91 2.050 -7.867 7.820 1.00 0.00 N ATOM 1388 CA GLY A 91 1.984 -9.314 7.690 1.00 0.00 C ATOM 1389 C GLY A 91 1.006 -9.735 6.597 1.00 0.00 C ATOM 1390 O GLY A 91 0.200 -8.936 6.123 1.00 0.00 O ATOM 0 H GLY A 91 2.743 -7.437 7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.976 -9.705 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.679 -9.752 8.640 1.00 0.00 H new ATOM 1394 N ALA A 92 1.115 -10.992 6.156 1.00 0.00 N ATOM 1395 CA ALA A 92 0.254 -11.549 5.123 1.00 0.00 C ATOM 1396 C ALA A 92 -1.207 -11.559 5.582 1.00 0.00 C ATOM 1397 O ALA A 92 -1.486 -11.826 6.750 1.00 0.00 O ATOM 1398 CB ALA A 92 0.719 -12.974 4.813 1.00 0.00 C ATOM 0 H ALA A 92 1.808 -11.650 6.511 1.00 0.00 H new ATOM 0 HA ALA A 92 0.319 -10.933 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.082 -13.404 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.751 -12.952 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.655 -13.582 5.715 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.137 -11.295 4.660 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.569 -11.300 4.920 1.00 0.00 C ATOM 1406 C VAL A 93 -4.294 -11.710 3.638 1.00 0.00 C ATOM 1407 O VAL A 93 -3.773 -11.446 2.554 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.101 -9.898 5.290 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -4.882 -9.890 6.597 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.055 -8.776 5.309 1.00 0.00 C ATOM 0 H VAL A 93 -1.905 -11.068 3.693 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.745 -11.985 5.749 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.774 -9.674 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.231 -8.879 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.738 -10.560 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.237 -10.226 7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.535 -7.836 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.281 -9.012 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.605 -8.682 4.321 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.498 -12.296 3.726 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.351 -12.498 2.579 1.00 0.00 C ATOM 1422 C PRO A 94 -7.006 -11.144 2.311 1.00 0.00 C ATOM 1423 O PRO A 94 -7.330 -10.414 3.254 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.396 -13.546 2.979 1.00 0.00 C ATOM 1425 CG PRO A 94 -6.953 -14.010 4.373 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.182 -12.801 4.896 1.00 0.00 C ATOM 0 HA PRO A 94 -5.826 -12.844 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.399 -13.119 3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.418 -14.375 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.804 -14.254 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.326 -14.900 4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.851 -12.053 5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.479 -13.083 5.680 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.246 -10.802 1.046 1.00 0.00 N ATOM 1435 CA LYS A 95 -7.815 -9.496 0.747 1.00 0.00 C ATOM 1436 C LYS A 95 -9.130 -9.259 1.473 1.00 0.00 C ATOM 1437 O LYS A 95 -9.436 -8.133 1.846 1.00 0.00 O ATOM 1438 CB LYS A 95 -8.056 -9.309 -0.751 1.00 0.00 C ATOM 1439 CG LYS A 95 -8.831 -10.439 -1.450 1.00 0.00 C ATOM 1440 CD LYS A 95 -9.560 -9.906 -2.695 1.00 0.00 C ATOM 1441 CE LYS A 95 -10.900 -9.247 -2.339 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.489 -8.572 -3.509 1.00 0.00 N ATOM 0 H LYS A 95 -7.061 -11.393 0.236 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.077 -8.773 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.599 -8.376 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.090 -9.197 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.144 -11.235 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.552 -10.875 -0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.924 -9.182 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.733 -10.726 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.592 -10.002 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.751 -8.525 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.505 -8.787 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.357 -7.544 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.021 -8.907 -4.375 1.00 0.00 H new ATOM 1456 N ALA A 96 -9.900 -10.325 1.664 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.156 -10.293 2.406 1.00 0.00 C ATOM 1458 C ALA A 96 -11.002 -9.472 3.695 1.00 0.00 C ATOM 1459 O ALA A 96 -11.872 -8.671 4.040 1.00 0.00 O ATOM 1460 CB ALA A 96 -11.590 -11.725 2.729 1.00 0.00 C ATOM 0 H ALA A 96 -9.666 -11.250 1.302 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.921 -9.815 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.528 -11.705 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.728 -12.281 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.823 -12.210 3.332 1.00 0.00 H new ATOM 1466 N THR A 97 -9.888 -9.660 4.407 1.00 0.00 N ATOM 1467 CA THR A 97 -9.594 -8.924 5.624 1.00 0.00 C ATOM 1468 C THR A 97 -9.159 -7.496 5.281 1.00 0.00 C ATOM 1469 O THR A 97 -9.608 -6.549 5.924 1.00 0.00 O ATOM 1470 CB THR A 97 -8.503 -9.675 6.394 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.864 -11.039 6.494 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.309 -9.111 7.805 1.00 0.00 C ATOM 0 H THR A 97 -9.166 -10.332 4.148 1.00 0.00 H new ATOM 0 HA THR A 97 -10.483 -8.852 6.250 1.00 0.00 H new ATOM 0 HB THR A 97 -7.566 -9.557 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.169 -11.526 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.527 -9.672 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.021 -8.062 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.241 -9.198 8.363 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.287 -7.333 4.278 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.783 -6.028 3.850 1.00 0.00 C ATOM 1482 C ILE A 98 -8.951 -5.093 3.530 1.00 0.00 C ATOM 1483 O ILE A 98 -8.958 -3.960 3.994 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.820 -6.176 2.650 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.629 -7.068 3.050 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.313 -4.796 2.196 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.590 -7.253 1.939 1.00 0.00 C ATOM 0 H ILE A 98 -7.910 -8.112 3.738 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.212 -5.585 4.666 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.356 -6.639 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.140 -6.634 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.005 -8.047 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.636 -4.917 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.159 -4.178 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.784 -4.314 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.784 -7.893 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.062 -7.716 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.184 -6.282 1.655 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.940 -5.555 2.763 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.106 -4.764 2.394 1.00 0.00 C ATOM 1501 C VAL A 99 -11.820 -4.273 3.660 1.00 0.00 C ATOM 1502 O VAL A 99 -12.016 -3.074 3.847 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.024 -5.602 1.485 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.366 -4.898 1.254 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.354 -5.825 0.121 1.00 0.00 C ATOM 0 H VAL A 99 -9.950 -6.500 2.378 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.805 -3.880 1.832 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.198 -6.556 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.993 -5.513 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.867 -4.747 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.193 -3.932 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.011 -6.419 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.164 -4.862 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.411 -6.353 0.261 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.191 -5.195 4.550 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.872 -4.835 5.787 1.00 0.00 C ATOM 1517 C GLN A 100 -12.037 -3.833 6.593 1.00 0.00 C ATOM 1518 O GLN A 100 -12.554 -2.832 7.083 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.136 -6.106 6.600 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.231 -6.948 5.937 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.379 -8.298 6.626 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -15.203 -8.469 7.516 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -13.574 -9.273 6.217 1.00 0.00 N ATOM 0 H GLN A 100 -12.030 -6.195 4.434 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.822 -4.356 5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.219 -6.690 6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.436 -5.841 7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.179 -6.411 5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.991 -7.098 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.898 -9.098 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.632 -10.196 6.647 1.00 0.00 H new ATOM 1532 N THR A 101 -10.738 -4.097 6.716 1.00 0.00 N ATOM 1533 CA THR A 101 -9.830 -3.269 7.494 1.00 0.00 C ATOM 1534 C THR A 101 -9.661 -1.872 6.875 1.00 0.00 C ATOM 1535 O THR A 101 -9.668 -0.877 7.597 1.00 0.00 O ATOM 1536 CB THR A 101 -8.492 -4.004 7.648 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.717 -5.290 8.187 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.560 -3.260 8.604 1.00 0.00 C ATOM 0 H THR A 101 -10.286 -4.898 6.274 1.00 0.00 H new ATOM 0 HA THR A 101 -10.253 -3.104 8.485 1.00 0.00 H new ATOM 0 HB THR A 101 -8.033 -4.064 6.661 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.991 -5.901 7.472 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.620 -3.805 8.693 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.365 -2.260 8.217 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.030 -3.184 9.585 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.508 -1.762 5.553 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.341 -0.456 4.926 1.00 0.00 C ATOM 1548 C VAL A 102 -10.632 0.333 5.081 1.00 0.00 C ATOM 1549 O VAL A 102 -10.599 1.507 5.435 1.00 0.00 O ATOM 1550 CB VAL A 102 -8.879 -0.585 3.465 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.955 -0.870 2.415 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.141 0.695 3.061 1.00 0.00 C ATOM 0 H VAL A 102 -9.497 -2.551 4.907 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.546 0.096 5.427 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.247 -1.473 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.493 -0.936 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.450 -1.813 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.689 -0.064 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.809 0.613 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.812 1.548 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.276 0.836 3.709 1.00 0.00 H new ATOM 1562 N GLU A 103 -11.764 -0.331 4.851 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.074 0.275 5.035 1.00 0.00 C ATOM 1564 C GLU A 103 -13.215 0.780 6.475 1.00 0.00 C ATOM 1565 O GLU A 103 -13.616 1.914 6.705 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.159 -0.741 4.675 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.258 -0.923 3.152 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.252 -2.012 2.758 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.353 -3.006 3.511 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.884 -1.847 1.690 1.00 0.00 O ATOM 0 H GLU A 103 -11.795 -1.300 4.533 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.187 1.134 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.936 -1.699 5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.119 -0.408 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.557 0.020 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.274 -1.172 2.754 1.00 0.00 H new ATOM 1577 N LYS A 104 -12.860 -0.058 7.449 1.00 0.00 N ATOM 1578 CA LYS A 104 -12.865 0.303 8.863 1.00 0.00 C ATOM 1579 C LYS A 104 -12.033 1.572 9.081 1.00 0.00 C ATOM 1580 O LYS A 104 -12.485 2.506 9.737 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.302 -0.879 9.671 1.00 0.00 C ATOM 1582 CG LYS A 104 -11.972 -0.579 11.143 1.00 0.00 C ATOM 1583 CD LYS A 104 -10.901 -1.549 11.658 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.389 -3.003 11.670 1.00 0.00 C ATOM 1585 NZ LYS A 104 -10.349 -3.911 12.184 1.00 0.00 N ATOM 0 H LYS A 104 -12.558 -1.016 7.274 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.881 0.512 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.024 -1.695 9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.396 -1.234 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.620 0.448 11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.873 -0.666 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.013 -1.472 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.606 -1.259 12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.283 -3.084 12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.671 -3.303 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.708 -4.887 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.505 -3.850 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.099 -3.638 13.156 1.00 0.00 H new ATOM 1599 N TYR A 105 -10.792 1.579 8.588 1.00 0.00 N ATOM 1600 CA TYR A 105 -9.886 2.707 8.758 1.00 0.00 C ATOM 1601 C TYR A 105 -10.420 3.976 8.074 1.00 0.00 C ATOM 1602 O TYR A 105 -10.289 5.065 8.628 1.00 0.00 O ATOM 1603 CB TYR A 105 -8.507 2.333 8.199 1.00 0.00 C ATOM 1604 CG TYR A 105 -7.744 1.181 8.839 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -8.005 0.746 10.154 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -6.651 0.636 8.139 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -7.137 -0.167 10.779 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -5.751 -0.228 8.784 1.00 0.00 C ATOM 1609 CZ TYR A 105 -5.987 -0.622 10.111 1.00 0.00 C ATOM 1610 OH TYR A 105 -5.095 -1.419 10.763 1.00 0.00 O ATOM 0 H TYR A 105 -10.392 0.802 8.061 1.00 0.00 H new ATOM 0 HA TYR A 105 -9.805 2.928 9.822 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.632 2.099 7.142 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -7.876 3.220 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.872 1.114 10.682 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -6.503 0.884 7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.355 -0.520 11.776 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.878 -0.589 8.260 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.219 -1.352 10.329 1.00 0.00 H new