USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 695 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 21 ASN : amide:sc= -2.34! C(o=-2.2!,f=-3.6!) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.136 K(o=-2.2,f=-2.8) USER MOD Set 1.3: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 48 TYR OH : rot -164:sc= -5.28! USER MOD Set 2.2: A 80 MET CE :methyl 177:sc=-0.00542 (180deg=-0.012) USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 69 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.24) USER MOD Set 4.1: A 42 MET CE :methyl 159:sc= -7.77! (180deg=-3.25!) USER MOD Set 4.2: A 61 MET CE :methyl -171:sc= -8.25! (180deg=-4.23!) USER MOD Set 5.1: A 17 THR OG1 : rot 180:sc= -1.67! USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 23 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 43 GLN : amide:sc= -0.5 X(o=-0.5,f=0) USER MOD Single : A 44 THR OG1 : rot 88:sc= 1.17 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.9!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.278 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.953 12.262 -21.366 1.00 0.00 N ATOM 2 CA GLY A 1 -19.717 11.995 -20.650 1.00 0.00 C ATOM 3 C GLY A 1 -18.653 13.042 -20.983 1.00 0.00 C ATOM 4 O GLY A 1 -17.895 12.880 -21.938 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.659 11.538 -21.123 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.314 13.200 -21.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.773 12.240 -22.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.907 11.994 -19.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.349 11.002 -20.910 1.00 0.00 H new ATOM 8 N SER A 2 -18.630 14.093 -20.177 1.00 0.00 N ATOM 9 CA SER A 2 -17.672 15.167 -20.374 1.00 0.00 C ATOM 10 C SER A 2 -17.893 16.264 -19.331 1.00 0.00 C ATOM 11 O SER A 2 -16.984 16.595 -18.571 1.00 0.00 O ATOM 12 CB SER A 2 -17.778 15.748 -21.786 1.00 0.00 C ATOM 13 OG SER A 2 -16.499 15.914 -22.392 1.00 0.00 O ATOM 0 H SER A 2 -19.260 14.224 -19.386 1.00 0.00 H new ATOM 0 HA SER A 2 -16.669 14.757 -20.253 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.389 15.090 -22.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.287 16.711 -21.745 1.00 0.00 H new ATOM 0 HG SER A 2 -16.609 16.285 -23.292 1.00 0.00 H new ATOM 19 N SER A 3 -19.105 16.798 -19.328 1.00 0.00 N ATOM 20 CA SER A 3 -19.457 17.851 -18.390 1.00 0.00 C ATOM 21 C SER A 3 -18.957 17.493 -16.989 1.00 0.00 C ATOM 22 O SER A 3 -18.176 18.236 -16.396 1.00 0.00 O ATOM 23 CB SER A 3 -20.968 18.088 -18.370 1.00 0.00 C ATOM 24 OG SER A 3 -21.693 16.889 -18.115 1.00 0.00 O ATOM 0 H SER A 3 -19.856 16.521 -19.960 1.00 0.00 H new ATOM 0 HA SER A 3 -18.976 18.773 -18.715 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.209 18.827 -17.606 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.282 18.505 -19.327 1.00 0.00 H new ATOM 0 HG SER A 3 -22.654 17.083 -18.109 1.00 0.00 H new ATOM 30 N GLY A 4 -19.427 16.355 -16.501 1.00 0.00 N ATOM 31 CA GLY A 4 -19.037 15.889 -15.181 1.00 0.00 C ATOM 32 C GLY A 4 -17.565 16.198 -14.903 1.00 0.00 C ATOM 33 O GLY A 4 -17.247 16.954 -13.987 1.00 0.00 O ATOM 0 H GLY A 4 -20.074 15.742 -16.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.661 16.365 -14.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.207 14.815 -15.106 1.00 0.00 H new ATOM 37 N SER A 5 -16.705 15.595 -15.711 1.00 0.00 N ATOM 38 CA SER A 5 -15.273 15.796 -15.564 1.00 0.00 C ATOM 39 C SER A 5 -14.973 17.280 -15.342 1.00 0.00 C ATOM 40 O SER A 5 -14.386 17.653 -14.327 1.00 0.00 O ATOM 41 CB SER A 5 -14.516 15.279 -16.789 1.00 0.00 C ATOM 42 OG SER A 5 -14.683 13.876 -16.967 1.00 0.00 O ATOM 0 H SER A 5 -16.972 14.967 -16.469 1.00 0.00 H new ATOM 0 HA SER A 5 -14.935 15.230 -14.696 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.867 15.802 -17.679 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.455 15.507 -16.683 1.00 0.00 H new ATOM 0 HG SER A 5 -14.186 13.585 -17.760 1.00 0.00 H new ATOM 48 N SER A 6 -15.389 18.086 -16.307 1.00 0.00 N ATOM 49 CA SER A 6 -15.173 19.521 -16.229 1.00 0.00 C ATOM 50 C SER A 6 -15.698 20.058 -14.897 1.00 0.00 C ATOM 51 O SER A 6 -14.951 20.663 -14.129 1.00 0.00 O ATOM 52 CB SER A 6 -15.848 20.244 -17.396 1.00 0.00 C ATOM 53 OG SER A 6 -14.919 20.584 -18.423 1.00 0.00 O ATOM 0 H SER A 6 -15.875 17.773 -17.147 1.00 0.00 H new ATOM 0 HA SER A 6 -14.101 19.709 -16.292 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.631 19.610 -17.811 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.332 21.150 -17.030 1.00 0.00 H new ATOM 0 HG SER A 6 -15.389 21.042 -19.151 1.00 0.00 H new ATOM 59 N GLY A 7 -16.980 19.818 -14.662 1.00 0.00 N ATOM 60 CA GLY A 7 -17.614 20.270 -13.436 1.00 0.00 C ATOM 61 C GLY A 7 -16.715 20.009 -12.225 1.00 0.00 C ATOM 62 O GLY A 7 -16.249 20.947 -11.580 1.00 0.00 O ATOM 0 H GLY A 7 -17.597 19.316 -15.301 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.834 21.335 -13.507 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.566 19.756 -13.304 1.00 0.00 H new ATOM 66 N SER A 8 -16.497 18.731 -11.954 1.00 0.00 N ATOM 67 CA SER A 8 -15.662 18.335 -10.833 1.00 0.00 C ATOM 68 C SER A 8 -15.554 16.810 -10.773 1.00 0.00 C ATOM 69 O SER A 8 -16.551 16.122 -10.562 1.00 0.00 O ATOM 70 CB SER A 8 -16.215 18.881 -9.515 1.00 0.00 C ATOM 71 OG SER A 8 -15.197 19.029 -8.529 1.00 0.00 O ATOM 0 H SER A 8 -16.884 17.956 -12.492 1.00 0.00 H new ATOM 0 HA SER A 8 -14.668 18.757 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.690 19.846 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.988 18.210 -9.140 1.00 0.00 H new ATOM 0 HG SER A 8 -15.590 19.381 -7.703 1.00 0.00 H new ATOM 77 N SER A 9 -14.335 16.327 -10.963 1.00 0.00 N ATOM 78 CA SER A 9 -14.084 14.896 -10.933 1.00 0.00 C ATOM 79 C SER A 9 -14.193 14.376 -9.498 1.00 0.00 C ATOM 80 O SER A 9 -14.964 13.457 -9.225 1.00 0.00 O ATOM 81 CB SER A 9 -12.708 14.566 -11.514 1.00 0.00 C ATOM 82 OG SER A 9 -12.332 13.215 -11.262 1.00 0.00 O ATOM 0 H SER A 9 -13.510 16.901 -11.138 1.00 0.00 H new ATOM 0 HA SER A 9 -14.836 14.404 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.716 14.746 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.963 15.236 -11.084 1.00 0.00 H new ATOM 0 HG SER A 9 -11.449 13.044 -11.650 1.00 0.00 H new ATOM 88 N PHE A 10 -13.411 14.986 -8.620 1.00 0.00 N ATOM 89 CA PHE A 10 -13.410 14.595 -7.221 1.00 0.00 C ATOM 90 C PHE A 10 -12.582 15.570 -6.380 1.00 0.00 C ATOM 91 O PHE A 10 -11.558 16.074 -6.837 1.00 0.00 O ATOM 92 CB PHE A 10 -12.773 13.206 -7.144 1.00 0.00 C ATOM 93 CG PHE A 10 -13.560 12.206 -6.295 1.00 0.00 C ATOM 94 CD1 PHE A 10 -13.488 12.262 -4.938 1.00 0.00 C ATOM 95 CD2 PHE A 10 -14.332 11.262 -6.896 1.00 0.00 C ATOM 96 CE1 PHE A 10 -14.218 11.334 -4.149 1.00 0.00 C ATOM 97 CE2 PHE A 10 -15.062 10.334 -6.108 1.00 0.00 C ATOM 98 CZ PHE A 10 -14.990 10.390 -4.751 1.00 0.00 C ATOM 0 H PHE A 10 -12.774 15.748 -8.850 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.429 14.597 -6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -12.671 12.808 -8.154 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -11.767 13.301 -6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.875 13.012 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.390 11.218 -7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -14.160 11.378 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -15.674 9.584 -6.586 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.546 9.685 -4.151 1.00 0.00 H new ATOM 108 N GLN A 11 -13.057 15.805 -5.166 1.00 0.00 N ATOM 109 CA GLN A 11 -12.374 16.710 -4.257 1.00 0.00 C ATOM 110 C GLN A 11 -12.414 16.159 -2.830 1.00 0.00 C ATOM 111 O GLN A 11 -13.420 15.591 -2.408 1.00 0.00 O ATOM 112 CB GLN A 11 -12.982 18.113 -4.321 1.00 0.00 C ATOM 113 CG GLN A 11 -12.106 19.053 -5.151 1.00 0.00 C ATOM 114 CD GLN A 11 -12.752 20.434 -5.279 1.00 0.00 C ATOM 115 OE1 GLN A 11 -13.779 20.725 -4.688 1.00 0.00 O ATOM 116 NE2 GLN A 11 -12.095 21.266 -6.082 1.00 0.00 N ATOM 0 H GLN A 11 -13.907 15.384 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.332 16.787 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.980 18.061 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.094 18.511 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.125 19.148 -4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.948 18.628 -6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.241 20.958 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.446 22.212 -6.234 1.00 0.00 H new ATOM 125 N GLY A 12 -11.307 16.347 -2.127 1.00 0.00 N ATOM 126 CA GLY A 12 -11.202 15.876 -0.756 1.00 0.00 C ATOM 127 C GLY A 12 -9.938 15.037 -0.560 1.00 0.00 C ATOM 128 O GLY A 12 -9.536 14.295 -1.455 1.00 0.00 O ATOM 0 H GLY A 12 -10.475 16.819 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.187 16.727 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.080 15.282 -0.504 1.00 0.00 H new ATOM 132 N PRO A 13 -9.331 15.187 0.648 1.00 0.00 N ATOM 133 CA PRO A 13 -8.121 14.451 0.973 1.00 0.00 C ATOM 134 C PRO A 13 -8.435 12.984 1.274 1.00 0.00 C ATOM 135 O PRO A 13 -8.072 12.472 2.332 1.00 0.00 O ATOM 136 CB PRO A 13 -7.521 15.186 2.161 1.00 0.00 C ATOM 137 CG PRO A 13 -8.649 16.020 2.748 1.00 0.00 C ATOM 138 CD PRO A 13 -9.779 16.056 1.732 1.00 0.00 C ATOM 0 HA PRO A 13 -7.414 14.417 0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.130 14.484 2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.689 15.818 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.994 15.588 3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.302 17.029 2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.713 15.699 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.960 17.071 1.377 1.00 0.00 H new ATOM 146 N LEU A 14 -9.106 12.349 0.324 1.00 0.00 N ATOM 147 CA LEU A 14 -9.472 10.951 0.474 1.00 0.00 C ATOM 148 C LEU A 14 -8.399 10.074 -0.174 1.00 0.00 C ATOM 149 O LEU A 14 -7.729 9.301 0.508 1.00 0.00 O ATOM 150 CB LEU A 14 -10.880 10.705 -0.072 1.00 0.00 C ATOM 151 CG LEU A 14 -12.023 11.378 0.691 1.00 0.00 C ATOM 152 CD1 LEU A 14 -12.237 12.813 0.204 1.00 0.00 C ATOM 153 CD2 LEU A 14 -13.304 10.547 0.605 1.00 0.00 C ATOM 0 H LEU A 14 -9.406 12.777 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.511 10.679 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.911 11.045 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.061 9.630 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.745 11.433 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.055 13.269 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.325 13.390 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.483 12.804 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.100 11.048 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.598 10.438 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.128 9.562 1.037 1.00 0.00 H new ATOM 165 N ASP A 15 -8.270 10.224 -1.484 1.00 0.00 N ATOM 166 CA ASP A 15 -7.290 9.456 -2.232 1.00 0.00 C ATOM 167 C ASP A 15 -5.919 9.604 -1.570 1.00 0.00 C ATOM 168 O ASP A 15 -5.163 8.638 -1.476 1.00 0.00 O ATOM 169 CB ASP A 15 -7.176 9.961 -3.672 1.00 0.00 C ATOM 170 CG ASP A 15 -7.882 9.095 -4.719 1.00 0.00 C ATOM 171 OD1 ASP A 15 -7.401 7.962 -4.936 1.00 0.00 O ATOM 172 OD2 ASP A 15 -8.886 9.586 -5.277 1.00 0.00 O ATOM 0 H ASP A 15 -8.828 10.866 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.613 8.415 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.586 10.970 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.120 10.033 -3.934 1.00 0.00 H new ATOM 177 N ALA A 16 -5.639 10.821 -1.128 1.00 0.00 N ATOM 178 CA ALA A 16 -4.372 11.108 -0.477 1.00 0.00 C ATOM 179 C ALA A 16 -4.035 9.975 0.494 1.00 0.00 C ATOM 180 O ALA A 16 -2.898 9.506 0.536 1.00 0.00 O ATOM 181 CB ALA A 16 -4.452 12.468 0.219 1.00 0.00 C ATOM 0 H ALA A 16 -6.268 11.620 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.568 11.164 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.502 12.683 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.665 13.242 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.247 12.449 0.965 1.00 0.00 H new ATOM 187 N THR A 17 -5.043 9.567 1.251 1.00 0.00 N ATOM 188 CA THR A 17 -4.867 8.498 2.220 1.00 0.00 C ATOM 189 C THR A 17 -5.504 7.205 1.707 1.00 0.00 C ATOM 190 O THR A 17 -6.708 7.157 1.459 1.00 0.00 O ATOM 191 CB THR A 17 -5.443 8.971 3.556 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.661 10.116 3.885 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.163 7.988 4.695 1.00 0.00 C ATOM 0 H THR A 17 -5.985 9.957 1.213 1.00 0.00 H new ATOM 0 HA THR A 17 -3.812 8.268 2.369 1.00 0.00 H new ATOM 0 HB THR A 17 -6.519 9.115 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.968 10.488 4.738 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.593 8.371 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.610 7.022 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.086 7.870 4.817 1.00 0.00 H new ATOM 201 N VAL A 18 -4.667 6.187 1.564 1.00 0.00 N ATOM 202 CA VAL A 18 -5.134 4.897 1.085 1.00 0.00 C ATOM 203 C VAL A 18 -4.793 3.821 2.119 1.00 0.00 C ATOM 204 O VAL A 18 -3.932 4.027 2.973 1.00 0.00 O ATOM 205 CB VAL A 18 -4.544 4.607 -0.296 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.805 5.767 -1.259 1.00 0.00 C ATOM 207 CG2 VAL A 18 -3.048 4.300 -0.200 1.00 0.00 C ATOM 0 H VAL A 18 -3.669 6.230 1.771 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.217 4.903 0.966 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.042 3.723 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.375 5.535 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.879 5.919 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.347 6.675 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.654 4.097 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.528 5.156 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.896 3.427 0.435 1.00 0.00 H new ATOM 217 N VAL A 19 -5.487 2.698 2.007 1.00 0.00 N ATOM 218 CA VAL A 19 -5.269 1.590 2.921 1.00 0.00 C ATOM 219 C VAL A 19 -4.653 0.417 2.156 1.00 0.00 C ATOM 220 O VAL A 19 -5.196 -0.023 1.144 1.00 0.00 O ATOM 221 CB VAL A 19 -6.578 1.224 3.622 1.00 0.00 C ATOM 222 CG1 VAL A 19 -7.697 0.989 2.606 1.00 0.00 C ATOM 223 CG2 VAL A 19 -6.394 0.004 4.527 1.00 0.00 C ATOM 0 H VAL A 19 -6.201 2.532 1.297 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.565 1.874 3.703 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.867 2.066 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.617 0.730 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.855 1.896 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.418 0.173 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.340 -0.234 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.069 -0.847 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.642 0.223 5.285 1.00 0.00 H new ATOM 233 N VAL A 20 -3.526 -0.056 2.669 1.00 0.00 N ATOM 234 CA VAL A 20 -2.830 -1.169 2.046 1.00 0.00 C ATOM 235 C VAL A 20 -3.353 -2.483 2.631 1.00 0.00 C ATOM 236 O VAL A 20 -3.702 -2.547 3.809 1.00 0.00 O ATOM 237 CB VAL A 20 -1.319 -1.001 2.213 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.572 -2.248 1.735 1.00 0.00 C ATOM 239 CG2 VAL A 20 -0.823 0.249 1.483 1.00 0.00 C ATOM 0 H VAL A 20 -3.078 0.311 3.509 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.025 -1.189 0.974 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.111 -0.873 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.500 -2.102 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.894 -3.111 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.790 -2.421 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.254 0.345 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.050 0.164 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.320 1.129 1.891 1.00 0.00 H new ATOM 249 N ASN A 21 -3.391 -3.499 1.780 1.00 0.00 N ATOM 250 CA ASN A 21 -3.866 -4.807 2.198 1.00 0.00 C ATOM 251 C ASN A 21 -3.288 -5.875 1.267 1.00 0.00 C ATOM 252 O ASN A 21 -3.209 -5.671 0.056 1.00 0.00 O ATOM 253 CB ASN A 21 -5.391 -4.889 2.123 1.00 0.00 C ATOM 254 CG ASN A 21 -6.041 -3.760 2.926 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.870 -3.641 4.128 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.795 -2.942 2.197 1.00 0.00 N ATOM 0 H ASN A 21 -3.101 -3.442 0.804 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.547 -4.969 3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.711 -4.831 1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.726 -5.853 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.273 -2.158 2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.895 -3.099 1.194 1.00 0.00 H new ATOM 263 N LEU A 22 -2.900 -6.991 1.867 1.00 0.00 N ATOM 264 CA LEU A 22 -2.333 -8.091 1.107 1.00 0.00 C ATOM 265 C LEU A 22 -3.463 -8.975 0.576 1.00 0.00 C ATOM 266 O LEU A 22 -4.524 -9.069 1.192 1.00 0.00 O ATOM 267 CB LEU A 22 -1.303 -8.848 1.947 1.00 0.00 C ATOM 268 CG LEU A 22 -0.059 -8.057 2.357 1.00 0.00 C ATOM 269 CD1 LEU A 22 1.167 -8.968 2.444 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.172 -6.873 1.416 1.00 0.00 C ATOM 0 H LEU A 22 -2.967 -7.157 2.871 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.789 -7.714 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.795 -9.208 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.982 -9.727 1.387 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.227 -7.649 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.037 -8.380 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.989 -9.747 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.350 -9.426 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.062 -6.327 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.310 -7.239 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.691 -6.208 1.449 1.00 0.00 H new ATOM 282 N GLN A 23 -3.198 -9.601 -0.561 1.00 0.00 N ATOM 283 CA GLN A 23 -4.180 -10.474 -1.181 1.00 0.00 C ATOM 284 C GLN A 23 -4.073 -11.887 -0.604 1.00 0.00 C ATOM 285 O GLN A 23 -5.087 -12.535 -0.349 1.00 0.00 O ATOM 286 CB GLN A 23 -4.016 -10.490 -2.702 1.00 0.00 C ATOM 287 CG GLN A 23 -4.493 -9.173 -3.319 1.00 0.00 C ATOM 288 CD GLN A 23 -5.485 -9.428 -4.456 1.00 0.00 C ATOM 289 OE1 GLN A 23 -5.159 -10.004 -5.481 1.00 0.00 O ATOM 290 NE2 GLN A 23 -6.709 -8.967 -4.218 1.00 0.00 N ATOM 0 H GLN A 23 -2.317 -9.521 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.174 -10.086 -0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.969 -10.657 -2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.583 -11.320 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.963 -8.557 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.637 -8.613 -3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.914 -8.494 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.444 -9.086 -4.916 1.00 0.00 H new ATOM 299 N SER A 24 -2.836 -12.323 -0.414 1.00 0.00 N ATOM 300 CA SER A 24 -2.585 -13.647 0.128 1.00 0.00 C ATOM 301 C SER A 24 -1.480 -13.578 1.185 1.00 0.00 C ATOM 302 O SER A 24 -0.388 -14.107 0.983 1.00 0.00 O ATOM 303 CB SER A 24 -2.200 -14.632 -0.978 1.00 0.00 C ATOM 304 OG SER A 24 -3.341 -15.267 -1.548 1.00 0.00 O ATOM 0 H SER A 24 -1.997 -11.783 -0.626 1.00 0.00 H new ATOM 0 HA SER A 24 -3.503 -14.006 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.651 -14.105 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.529 -15.389 -0.572 1.00 0.00 H new ATOM 0 HG SER A 24 -3.054 -15.887 -2.251 1.00 0.00 H new ATOM 310 N PRO A 25 -1.812 -12.905 2.319 1.00 0.00 N ATOM 311 CA PRO A 25 -0.861 -12.760 3.408 1.00 0.00 C ATOM 312 C PRO A 25 -0.715 -14.069 4.187 1.00 0.00 C ATOM 313 O PRO A 25 -1.470 -15.015 3.966 1.00 0.00 O ATOM 314 CB PRO A 25 -1.404 -11.622 4.257 1.00 0.00 C ATOM 315 CG PRO A 25 -2.869 -11.482 3.877 1.00 0.00 C ATOM 316 CD PRO A 25 -3.095 -12.266 2.594 1.00 0.00 C ATOM 0 HA PRO A 25 0.146 -12.533 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.295 -11.841 5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.860 -10.697 4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.508 -11.862 4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.128 -10.433 3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.887 -13.005 2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.394 -11.610 1.776 1.00 0.00 H new ATOM 324 N THR A 26 0.262 -14.082 5.082 1.00 0.00 N ATOM 325 CA THR A 26 0.516 -15.260 5.895 1.00 0.00 C ATOM 326 C THR A 26 0.140 -14.992 7.354 1.00 0.00 C ATOM 327 O THR A 26 -0.284 -13.890 7.697 1.00 0.00 O ATOM 328 CB THR A 26 1.982 -15.655 5.708 1.00 0.00 C ATOM 329 OG1 THR A 26 2.309 -15.170 4.409 1.00 0.00 O ATOM 330 CG2 THR A 26 2.170 -17.170 5.598 1.00 0.00 C ATOM 0 H THR A 26 0.887 -13.296 5.262 1.00 0.00 H new ATOM 0 HA THR A 26 -0.105 -16.099 5.581 1.00 0.00 H new ATOM 0 HB THR A 26 2.570 -15.275 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.244 -15.382 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.228 -17.397 5.466 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.807 -17.649 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.609 -17.545 4.742 1.00 0.00 H new ATOM 338 N LEU A 27 0.310 -16.020 8.173 1.00 0.00 N ATOM 339 CA LEU A 27 -0.006 -15.910 9.587 1.00 0.00 C ATOM 340 C LEU A 27 0.852 -14.808 10.213 1.00 0.00 C ATOM 341 O LEU A 27 0.365 -14.022 11.024 1.00 0.00 O ATOM 342 CB LEU A 27 0.139 -17.268 10.276 1.00 0.00 C ATOM 343 CG LEU A 27 -1.080 -18.190 10.203 1.00 0.00 C ATOM 344 CD1 LEU A 27 -2.252 -17.614 11.000 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.462 -18.480 8.750 1.00 0.00 C ATOM 0 H LEU A 27 0.662 -16.933 7.884 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.048 -15.619 9.723 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.990 -17.788 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.378 -17.097 11.326 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.816 -19.142 10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.105 -18.289 10.931 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.961 -17.502 12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.526 -16.641 10.593 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.331 -19.137 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.700 -17.545 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.627 -18.964 8.244 1.00 0.00 H new ATOM 357 N GLU A 28 2.115 -14.787 9.812 1.00 0.00 N ATOM 358 CA GLU A 28 3.046 -13.795 10.323 1.00 0.00 C ATOM 359 C GLU A 28 2.535 -12.384 10.025 1.00 0.00 C ATOM 360 O GLU A 28 2.731 -11.468 10.821 1.00 0.00 O ATOM 361 CB GLU A 28 4.445 -14.006 9.743 1.00 0.00 C ATOM 362 CG GLU A 28 4.384 -14.222 8.229 1.00 0.00 C ATOM 363 CD GLU A 28 5.464 -13.407 7.515 1.00 0.00 C ATOM 364 OE1 GLU A 28 5.523 -12.187 7.779 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.208 -14.023 6.721 1.00 0.00 O ATOM 0 H GLU A 28 2.515 -15.441 9.139 1.00 0.00 H new ATOM 0 HA GLU A 28 3.116 -13.914 11.404 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.069 -13.141 9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.914 -14.868 10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.514 -15.281 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.401 -13.935 7.856 1.00 0.00 H new ATOM 372 N GLU A 29 1.889 -12.254 8.875 1.00 0.00 N ATOM 373 CA GLU A 29 1.349 -10.971 8.461 1.00 0.00 C ATOM 374 C GLU A 29 -0.040 -10.759 9.068 1.00 0.00 C ATOM 375 O GLU A 29 -0.342 -9.679 9.573 1.00 0.00 O ATOM 376 CB GLU A 29 1.303 -10.861 6.936 1.00 0.00 C ATOM 377 CG GLU A 29 0.869 -9.460 6.500 1.00 0.00 C ATOM 378 CD GLU A 29 -0.608 -9.443 6.099 1.00 0.00 C ATOM 379 OE1 GLU A 29 -1.383 -10.168 6.760 1.00 0.00 O ATOM 380 OE2 GLU A 29 -0.928 -8.706 5.142 1.00 0.00 O ATOM 0 H GLU A 29 1.728 -13.017 8.217 1.00 0.00 H new ATOM 0 HA GLU A 29 2.009 -10.186 8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.286 -11.087 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.611 -11.601 6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.037 -8.754 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.481 -9.131 5.660 1.00 0.00 H new ATOM 387 N LYS A 30 -0.848 -11.807 8.998 1.00 0.00 N ATOM 388 CA LYS A 30 -2.197 -11.749 9.534 1.00 0.00 C ATOM 389 C LYS A 30 -2.155 -11.170 10.949 1.00 0.00 C ATOM 390 O LYS A 30 -3.135 -10.594 11.417 1.00 0.00 O ATOM 391 CB LYS A 30 -2.865 -13.123 9.452 1.00 0.00 C ATOM 392 CG LYS A 30 -3.644 -13.277 8.144 1.00 0.00 C ATOM 393 CD LYS A 30 -5.049 -13.823 8.403 1.00 0.00 C ATOM 394 CE LYS A 30 -5.486 -14.769 7.283 1.00 0.00 C ATOM 395 NZ LYS A 30 -6.353 -14.061 6.315 1.00 0.00 N ATOM 0 H LYS A 30 -0.594 -12.701 8.578 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.816 -11.082 8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.108 -13.904 9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.539 -13.255 10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.712 -12.312 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.107 -13.948 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.068 -14.350 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.755 -12.996 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.609 -15.166 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.021 -15.619 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.641 -14.718 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.198 -13.703 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.830 -13.264 5.899 1.00 0.00 H new ATOM 409 N ASN A 31 -1.008 -11.341 11.590 1.00 0.00 N ATOM 410 CA ASN A 31 -0.825 -10.842 12.943 1.00 0.00 C ATOM 411 C ASN A 31 -0.462 -9.357 12.889 1.00 0.00 C ATOM 412 O ASN A 31 -0.896 -8.577 13.735 1.00 0.00 O ATOM 413 CB ASN A 31 0.310 -11.581 13.654 1.00 0.00 C ATOM 414 CG ASN A 31 0.049 -11.670 15.159 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.450 -10.748 15.783 1.00 0.00 O ATOM 416 ND2 ASN A 31 0.414 -12.826 15.704 1.00 0.00 N ATOM 0 H ASN A 31 -0.196 -11.818 11.198 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.755 -10.999 13.489 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.412 -12.584 13.239 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.253 -11.065 13.475 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.282 -12.983 16.703 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.826 -13.556 15.123 1.00 0.00 H new ATOM 423 N GLU A 32 0.332 -9.011 11.886 1.00 0.00 N ATOM 424 CA GLU A 32 0.759 -7.633 11.710 1.00 0.00 C ATOM 425 C GLU A 32 1.694 -7.517 10.505 1.00 0.00 C ATOM 426 O GLU A 32 2.594 -8.338 10.331 1.00 0.00 O ATOM 427 CB GLU A 32 1.429 -7.101 12.978 1.00 0.00 C ATOM 428 CG GLU A 32 0.991 -5.665 13.269 1.00 0.00 C ATOM 429 CD GLU A 32 1.018 -5.376 14.771 1.00 0.00 C ATOM 430 OE1 GLU A 32 0.010 -5.709 15.431 1.00 0.00 O ATOM 431 OE2 GLU A 32 2.046 -4.830 15.226 1.00 0.00 O ATOM 0 H GLU A 32 0.691 -9.661 11.187 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.123 -7.021 11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.175 -7.741 13.823 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.512 -7.138 12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.649 -4.968 12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.015 -5.503 12.882 1.00 0.00 H new ATOM 438 N PHE A 33 1.450 -6.490 9.704 1.00 0.00 N ATOM 439 CA PHE A 33 2.260 -6.255 8.520 1.00 0.00 C ATOM 440 C PHE A 33 3.745 -6.461 8.823 1.00 0.00 C ATOM 441 O PHE A 33 4.250 -5.976 9.835 1.00 0.00 O ATOM 442 CB PHE A 33 2.032 -4.801 8.104 1.00 0.00 C ATOM 443 CG PHE A 33 2.070 -4.573 6.592 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.261 -4.565 5.935 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.913 -4.380 5.904 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.296 -4.354 4.531 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.947 -4.168 4.500 1.00 0.00 C ATOM 448 CZ PHE A 33 2.138 -4.160 3.843 1.00 0.00 C ATOM 0 H PHE A 33 0.703 -5.811 9.851 1.00 0.00 H new ATOM 0 HA PHE A 33 1.978 -6.952 7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.066 -4.472 8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.791 -4.176 8.574 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.180 -4.719 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.033 -4.388 6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.242 -4.348 4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.028 -4.013 3.954 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.165 -4.000 2.775 1.00 0.00 H new ATOM 458 N PRO A 34 4.423 -7.199 7.902 1.00 0.00 N ATOM 459 CA PRO A 34 5.840 -7.474 8.060 1.00 0.00 C ATOM 460 C PRO A 34 6.679 -6.236 7.736 1.00 0.00 C ATOM 461 O PRO A 34 6.224 -5.344 7.022 1.00 0.00 O ATOM 462 CB PRO A 34 6.120 -8.642 7.129 1.00 0.00 C ATOM 463 CG PRO A 34 4.963 -8.677 6.144 1.00 0.00 C ATOM 464 CD PRO A 34 3.858 -7.788 6.692 1.00 0.00 C ATOM 0 HA PRO A 34 6.108 -7.727 9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.070 -8.509 6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.188 -9.577 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.285 -8.325 5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.603 -9.698 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.574 -7.020 5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.960 -8.364 6.914 1.00 0.00 H new ATOM 472 N GLU A 35 7.889 -6.222 8.275 1.00 0.00 N ATOM 473 CA GLU A 35 8.795 -5.109 8.052 1.00 0.00 C ATOM 474 C GLU A 35 9.543 -5.291 6.730 1.00 0.00 C ATOM 475 O GLU A 35 10.168 -4.355 6.232 1.00 0.00 O ATOM 476 CB GLU A 35 9.773 -4.955 9.218 1.00 0.00 C ATOM 477 CG GLU A 35 10.628 -6.213 9.387 1.00 0.00 C ATOM 478 CD GLU A 35 11.799 -5.956 10.337 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.529 -5.829 11.551 1.00 0.00 O ATOM 480 OE2 GLU A 35 12.939 -5.893 9.828 1.00 0.00 O ATOM 0 H GLU A 35 8.263 -6.964 8.866 1.00 0.00 H new ATOM 0 HA GLU A 35 8.206 -4.194 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.418 -4.093 9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.221 -4.760 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.013 -7.026 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.006 -6.533 8.416 1.00 0.00 H new ATOM 487 N ASP A 36 9.456 -6.501 6.198 1.00 0.00 N ATOM 488 CA ASP A 36 10.117 -6.817 4.944 1.00 0.00 C ATOM 489 C ASP A 36 9.227 -6.378 3.779 1.00 0.00 C ATOM 490 O ASP A 36 9.716 -6.141 2.675 1.00 0.00 O ATOM 491 CB ASP A 36 10.358 -8.322 4.812 1.00 0.00 C ATOM 492 CG ASP A 36 11.747 -8.795 5.248 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.635 -7.922 5.356 1.00 0.00 O ATOM 494 OD2 ASP A 36 11.888 -10.018 5.463 1.00 0.00 O ATOM 0 H ASP A 36 8.937 -7.275 6.613 1.00 0.00 H new ATOM 0 HA ASP A 36 11.074 -6.295 4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.609 -8.848 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.202 -8.610 3.772 1.00 0.00 H new ATOM 499 N LEU A 37 7.937 -6.282 4.065 1.00 0.00 N ATOM 500 CA LEU A 37 6.975 -5.875 3.054 1.00 0.00 C ATOM 501 C LEU A 37 6.734 -4.368 3.164 1.00 0.00 C ATOM 502 O LEU A 37 6.759 -3.657 2.161 1.00 0.00 O ATOM 503 CB LEU A 37 5.699 -6.712 3.162 1.00 0.00 C ATOM 504 CG LEU A 37 5.848 -8.204 2.858 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.498 -8.919 2.945 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.526 -8.423 1.505 1.00 0.00 C ATOM 0 H LEU A 37 7.535 -6.479 4.982 1.00 0.00 H new ATOM 0 HA LEU A 37 7.368 -6.063 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.302 -6.605 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.956 -6.295 2.482 1.00 0.00 H new ATOM 0 HG LEU A 37 6.495 -8.644 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.632 -9.978 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.091 -8.806 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.808 -8.483 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.620 -9.492 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.926 -7.965 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.517 -7.969 1.517 1.00 0.00 H new ATOM 518 N ARG A 38 6.504 -3.926 4.392 1.00 0.00 N ATOM 519 CA ARG A 38 6.258 -2.517 4.645 1.00 0.00 C ATOM 520 C ARG A 38 7.141 -1.653 3.743 1.00 0.00 C ATOM 521 O ARG A 38 6.663 -1.080 2.765 1.00 0.00 O ATOM 522 CB ARG A 38 6.536 -2.164 6.108 1.00 0.00 C ATOM 523 CG ARG A 38 5.242 -2.157 6.925 1.00 0.00 C ATOM 524 CD ARG A 38 5.403 -2.968 8.212 1.00 0.00 C ATOM 525 NE ARG A 38 5.066 -2.130 9.385 1.00 0.00 N ATOM 526 CZ ARG A 38 5.854 -1.158 9.864 1.00 0.00 C ATOM 527 NH1 ARG A 38 7.029 -0.896 9.275 1.00 0.00 N ATOM 528 NH2 ARG A 38 5.468 -0.449 10.933 1.00 0.00 N ATOM 0 H ARG A 38 6.483 -4.519 5.222 1.00 0.00 H new ATOM 0 HA ARG A 38 5.208 -2.320 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.235 -2.884 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.012 -1.185 6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.967 -1.131 7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.429 -2.571 6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.755 -3.844 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.427 -3.331 8.297 1.00 0.00 H new ATOM 0 HE ARG A 38 4.179 -2.303 9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.324 -1.437 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.629 -0.156 9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.574 -0.649 11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.068 0.291 11.298 1.00 0.00 H new ATOM 542 N THR A 39 8.414 -1.586 4.103 1.00 0.00 N ATOM 543 CA THR A 39 9.368 -0.802 3.338 1.00 0.00 C ATOM 544 C THR A 39 9.118 -0.972 1.838 1.00 0.00 C ATOM 545 O THR A 39 8.907 0.007 1.125 1.00 0.00 O ATOM 546 CB THR A 39 10.776 -1.216 3.770 1.00 0.00 C ATOM 547 OG1 THR A 39 10.811 -0.926 5.165 1.00 0.00 O ATOM 548 CG2 THR A 39 11.861 -0.316 3.175 1.00 0.00 C ATOM 0 H THR A 39 8.807 -2.062 4.915 1.00 0.00 H new ATOM 0 HA THR A 39 9.252 0.264 3.536 1.00 0.00 H new ATOM 0 HB THR A 39 10.957 -2.248 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.689 -1.166 5.527 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.840 -0.654 3.514 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.817 -0.364 2.087 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.700 0.712 3.500 1.00 0.00 H new ATOM 556 N GLU A 40 9.150 -2.224 1.404 1.00 0.00 N ATOM 557 CA GLU A 40 8.929 -2.535 0.002 1.00 0.00 C ATOM 558 C GLU A 40 7.799 -1.673 -0.562 1.00 0.00 C ATOM 559 O GLU A 40 7.870 -1.219 -1.703 1.00 0.00 O ATOM 560 CB GLU A 40 8.631 -4.024 -0.188 1.00 0.00 C ATOM 561 CG GLU A 40 9.650 -4.672 -1.127 1.00 0.00 C ATOM 562 CD GLU A 40 9.610 -4.023 -2.512 1.00 0.00 C ATOM 563 OE1 GLU A 40 8.498 -3.967 -3.080 1.00 0.00 O ATOM 564 OE2 GLU A 40 10.692 -3.598 -2.971 1.00 0.00 O ATOM 0 H GLU A 40 9.326 -3.034 1.998 1.00 0.00 H new ATOM 0 HA GLU A 40 9.842 -2.307 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.649 -4.528 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.627 -4.149 -0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.651 -4.576 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.442 -5.738 -1.215 1.00 0.00 H new ATOM 571 N LEU A 41 6.782 -1.472 0.264 1.00 0.00 N ATOM 572 CA LEU A 41 5.638 -0.672 -0.138 1.00 0.00 C ATOM 573 C LEU A 41 5.963 0.810 0.061 1.00 0.00 C ATOM 574 O LEU A 41 5.840 1.606 -0.869 1.00 0.00 O ATOM 575 CB LEU A 41 4.378 -1.130 0.599 1.00 0.00 C ATOM 576 CG LEU A 41 3.396 -1.976 -0.214 1.00 0.00 C ATOM 577 CD1 LEU A 41 3.834 -3.441 -0.251 1.00 0.00 C ATOM 578 CD2 LEU A 41 1.969 -1.818 0.315 1.00 0.00 C ATOM 0 H LEU A 41 6.727 -1.850 1.210 1.00 0.00 H new ATOM 0 HA LEU A 41 5.428 -0.813 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.682 -1.703 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.852 -0.247 0.962 1.00 0.00 H new ATOM 0 HG LEU A 41 3.401 -1.613 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.119 -4.020 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.820 -3.514 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.876 -3.834 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.291 -2.429 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.929 -2.140 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.669 -0.772 0.247 1.00 0.00 H new ATOM 590 N MET A 42 6.370 1.136 1.279 1.00 0.00 N ATOM 591 CA MET A 42 6.713 2.508 1.611 1.00 0.00 C ATOM 592 C MET A 42 7.659 3.105 0.568 1.00 0.00 C ATOM 593 O MET A 42 7.556 4.284 0.234 1.00 0.00 O ATOM 594 CB MET A 42 7.379 2.548 2.988 1.00 0.00 C ATOM 595 CG MET A 42 6.506 1.862 4.040 1.00 0.00 C ATOM 596 SD MET A 42 4.818 2.423 3.893 1.00 0.00 S ATOM 597 CE MET A 42 3.972 1.076 4.705 1.00 0.00 C ATOM 0 H MET A 42 6.470 0.473 2.048 1.00 0.00 H new ATOM 0 HA MET A 42 5.797 3.099 1.623 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.351 2.057 2.940 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.559 3.583 3.279 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.551 0.780 3.912 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.885 2.081 5.038 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.989 1.411 5.036 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.857 0.246 4.008 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.553 0.749 5.567 1.00 0.00 H new ATOM 607 N GLN A 43 8.559 2.263 0.081 1.00 0.00 N ATOM 608 CA GLN A 43 9.523 2.693 -0.918 1.00 0.00 C ATOM 609 C GLN A 43 8.903 2.629 -2.315 1.00 0.00 C ATOM 610 O GLN A 43 9.232 3.438 -3.181 1.00 0.00 O ATOM 611 CB GLN A 43 10.799 1.852 -0.845 1.00 0.00 C ATOM 612 CG GLN A 43 10.579 0.467 -1.455 1.00 0.00 C ATOM 613 CD GLN A 43 11.890 -0.319 -1.521 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.645 -0.237 -2.475 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.118 -1.081 -0.455 1.00 0.00 N ATOM 0 H GLN A 43 8.641 1.285 0.360 1.00 0.00 H new ATOM 0 HA GLN A 43 9.796 3.727 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.605 2.362 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.112 1.750 0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.850 -0.084 -0.861 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.162 0.569 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.443 -1.103 0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.968 -1.643 -0.402 1.00 0.00 H new ATOM 624 N THR A 44 8.017 1.660 -2.491 1.00 0.00 N ATOM 625 CA THR A 44 7.348 1.480 -3.769 1.00 0.00 C ATOM 626 C THR A 44 6.259 2.538 -3.954 1.00 0.00 C ATOM 627 O THR A 44 6.425 3.476 -4.732 1.00 0.00 O ATOM 628 CB THR A 44 6.819 0.046 -3.828 1.00 0.00 C ATOM 629 OG1 THR A 44 7.975 -0.739 -4.109 1.00 0.00 O ATOM 630 CG2 THR A 44 5.905 -0.192 -5.031 1.00 0.00 C ATOM 0 H THR A 44 7.747 0.991 -1.770 1.00 0.00 H new ATOM 0 HA THR A 44 8.039 1.621 -4.601 1.00 0.00 H new ATOM 0 HB THR A 44 6.276 -0.178 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.412 -0.990 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.557 -1.225 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.048 0.479 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.457 -0.000 -5.951 1.00 0.00 H new ATOM 638 N LEU A 45 5.167 2.351 -3.226 1.00 0.00 N ATOM 639 CA LEU A 45 4.051 3.277 -3.300 1.00 0.00 C ATOM 640 C LEU A 45 4.570 4.708 -3.147 1.00 0.00 C ATOM 641 O LEU A 45 4.274 5.571 -3.973 1.00 0.00 O ATOM 642 CB LEU A 45 2.974 2.901 -2.279 1.00 0.00 C ATOM 643 CG LEU A 45 2.593 1.421 -2.221 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.384 1.201 -1.309 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.360 0.859 -3.625 1.00 0.00 C ATOM 0 H LEU A 45 5.032 1.571 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 45 3.569 3.215 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.316 3.207 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.076 3.479 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 45 3.428 0.871 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.134 0.140 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.622 1.540 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.533 1.766 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.091 -0.195 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.552 1.409 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.271 0.962 -4.214 1.00 0.00 H new ATOM 657 N GLY A 46 5.334 4.916 -2.086 1.00 0.00 N ATOM 658 CA GLY A 46 5.897 6.228 -1.814 1.00 0.00 C ATOM 659 C GLY A 46 6.550 6.815 -3.068 1.00 0.00 C ATOM 660 O GLY A 46 6.636 8.033 -3.215 1.00 0.00 O ATOM 0 H GLY A 46 5.577 4.198 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.113 6.898 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.636 6.152 -1.016 1.00 0.00 H new ATOM 664 N SER A 47 6.992 5.920 -3.940 1.00 0.00 N ATOM 665 CA SER A 47 7.634 6.334 -5.176 1.00 0.00 C ATOM 666 C SER A 47 6.620 7.033 -6.083 1.00 0.00 C ATOM 667 O SER A 47 6.821 8.181 -6.477 1.00 0.00 O ATOM 668 CB SER A 47 8.258 5.139 -5.899 1.00 0.00 C ATOM 669 OG SER A 47 9.495 5.477 -6.520 1.00 0.00 O ATOM 0 H SER A 47 6.918 4.910 -3.815 1.00 0.00 H new ATOM 0 HA SER A 47 8.433 7.033 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.419 4.329 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.563 4.768 -6.653 1.00 0.00 H new ATOM 0 HG SER A 47 9.862 4.687 -6.969 1.00 0.00 H new ATOM 675 N TYR A 48 5.551 6.312 -6.390 1.00 0.00 N ATOM 676 CA TYR A 48 4.505 6.848 -7.244 1.00 0.00 C ATOM 677 C TYR A 48 4.151 8.281 -6.842 1.00 0.00 C ATOM 678 O TYR A 48 3.843 9.111 -7.696 1.00 0.00 O ATOM 679 CB TYR A 48 3.283 5.954 -7.027 1.00 0.00 C ATOM 680 CG TYR A 48 3.318 4.649 -7.826 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.927 3.531 -7.295 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.739 4.591 -9.077 1.00 0.00 C ATOM 683 CE1 TYR A 48 3.960 2.303 -8.046 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.772 3.363 -9.829 1.00 0.00 C ATOM 685 CZ TYR A 48 3.380 2.280 -9.277 1.00 0.00 C ATOM 686 OH TYR A 48 3.411 1.120 -9.987 1.00 0.00 O ATOM 0 H TYR A 48 5.387 5.360 -6.062 1.00 0.00 H new ATOM 0 HA TYR A 48 4.830 6.866 -8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.203 5.717 -5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.386 6.510 -7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.379 3.577 -6.315 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.261 5.466 -9.492 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.434 1.421 -7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.324 3.304 -10.810 1.00 0.00 H new ATOM 0 HH TYR A 48 3.197 1.305 -10.925 1.00 0.00 H new ATOM 696 N GLY A 49 4.207 8.528 -5.541 1.00 0.00 N ATOM 697 CA GLY A 49 3.896 9.847 -5.016 1.00 0.00 C ATOM 698 C GLY A 49 4.913 10.268 -3.954 1.00 0.00 C ATOM 699 O GLY A 49 6.120 10.172 -4.172 1.00 0.00 O ATOM 0 H GLY A 49 4.463 7.837 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.891 10.574 -5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.895 9.844 -4.585 1.00 0.00 H new ATOM 703 N THR A 50 4.389 10.725 -2.826 1.00 0.00 N ATOM 704 CA THR A 50 5.237 11.162 -1.730 1.00 0.00 C ATOM 705 C THR A 50 4.595 10.809 -0.386 1.00 0.00 C ATOM 706 O THR A 50 3.502 11.280 -0.073 1.00 0.00 O ATOM 707 CB THR A 50 5.500 12.659 -1.902 1.00 0.00 C ATOM 708 OG1 THR A 50 6.867 12.727 -2.299 1.00 0.00 O ATOM 709 CG2 THR A 50 5.459 13.418 -0.574 1.00 0.00 C ATOM 0 H THR A 50 3.388 10.802 -2.647 1.00 0.00 H new ATOM 0 HA THR A 50 6.197 10.645 -1.743 1.00 0.00 H new ATOM 0 HB THR A 50 4.762 13.081 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.122 13.663 -2.434 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.652 14.476 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.476 13.301 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.220 13.019 0.097 1.00 0.00 H new ATOM 717 N ILE A 51 5.301 9.983 0.372 1.00 0.00 N ATOM 718 CA ILE A 51 4.813 9.561 1.674 1.00 0.00 C ATOM 719 C ILE A 51 4.719 10.778 2.597 1.00 0.00 C ATOM 720 O ILE A 51 5.717 11.195 3.183 1.00 0.00 O ATOM 721 CB ILE A 51 5.682 8.432 2.232 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.635 7.203 1.321 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.287 8.095 3.671 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.271 6.515 1.400 1.00 0.00 C ATOM 0 H ILE A 51 6.207 9.595 0.110 1.00 0.00 H new ATOM 0 HA ILE A 51 3.809 9.146 1.588 1.00 0.00 H new ATOM 0 HB ILE A 51 6.716 8.776 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.837 7.500 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.418 6.501 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.920 7.290 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.414 8.977 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.244 7.778 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.264 5.645 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.083 6.197 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.493 7.212 1.087 1.00 0.00 H new ATOM 736 N VAL A 52 3.511 11.312 2.698 1.00 0.00 N ATOM 737 CA VAL A 52 3.274 12.473 3.539 1.00 0.00 C ATOM 738 C VAL A 52 3.129 12.021 4.994 1.00 0.00 C ATOM 739 O VAL A 52 3.379 12.796 5.916 1.00 0.00 O ATOM 740 CB VAL A 52 2.057 13.248 3.030 1.00 0.00 C ATOM 741 CG1 VAL A 52 1.498 14.167 4.118 1.00 0.00 C ATOM 742 CG2 VAL A 52 2.401 14.040 1.767 1.00 0.00 C ATOM 0 H VAL A 52 2.686 10.962 2.211 1.00 0.00 H new ATOM 0 HA VAL A 52 4.121 13.158 3.493 1.00 0.00 H new ATOM 0 HB VAL A 52 1.283 12.525 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.634 14.706 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.197 13.570 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.265 14.880 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.519 14.582 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.199 14.749 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.730 13.355 0.986 1.00 0.00 H new ATOM 752 N LEU A 53 2.726 10.769 5.154 1.00 0.00 N ATOM 753 CA LEU A 53 2.545 10.205 6.481 1.00 0.00 C ATOM 754 C LEU A 53 2.079 8.753 6.354 1.00 0.00 C ATOM 755 O LEU A 53 1.533 8.361 5.325 1.00 0.00 O ATOM 756 CB LEU A 53 1.606 11.082 7.312 1.00 0.00 C ATOM 757 CG LEU A 53 1.999 11.284 8.777 1.00 0.00 C ATOM 758 CD1 LEU A 53 1.821 9.992 9.576 1.00 0.00 C ATOM 759 CD2 LEU A 53 3.420 11.838 8.892 1.00 0.00 C ATOM 0 H LEU A 53 2.520 10.129 4.387 1.00 0.00 H new ATOM 0 HA LEU A 53 3.492 10.190 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.539 12.060 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.609 10.643 7.281 1.00 0.00 H new ATOM 0 HG LEU A 53 1.328 12.025 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.107 10.164 10.614 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.778 9.679 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.451 9.211 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.674 11.972 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.121 11.139 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.479 12.798 8.379 1.00 0.00 H new ATOM 771 N VAL A 54 2.313 7.996 7.416 1.00 0.00 N ATOM 772 CA VAL A 54 1.924 6.596 7.436 1.00 0.00 C ATOM 773 C VAL A 54 1.391 6.239 8.825 1.00 0.00 C ATOM 774 O VAL A 54 1.904 6.721 9.834 1.00 0.00 O ATOM 775 CB VAL A 54 3.101 5.719 7.005 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.625 6.143 5.631 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.218 5.747 8.050 1.00 0.00 C ATOM 0 H VAL A 54 2.767 8.325 8.268 1.00 0.00 H new ATOM 0 HA VAL A 54 1.121 6.413 6.722 1.00 0.00 H new ATOM 0 HB VAL A 54 2.743 4.693 6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.461 5.504 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.829 6.047 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.958 7.180 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.042 5.115 7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.573 6.770 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.836 5.376 9.001 1.00 0.00 H new ATOM 787 N ARG A 55 0.367 5.398 8.833 1.00 0.00 N ATOM 788 CA ARG A 55 -0.241 4.972 10.082 1.00 0.00 C ATOM 789 C ARG A 55 -0.782 3.547 9.949 1.00 0.00 C ATOM 790 O ARG A 55 -1.805 3.325 9.303 1.00 0.00 O ATOM 791 CB ARG A 55 -1.382 5.907 10.487 1.00 0.00 C ATOM 792 CG ARG A 55 -1.657 5.818 11.990 1.00 0.00 C ATOM 793 CD ARG A 55 -3.150 5.629 12.263 1.00 0.00 C ATOM 794 NE ARG A 55 -3.690 6.814 12.966 1.00 0.00 N ATOM 795 CZ ARG A 55 -4.031 7.958 12.356 1.00 0.00 C ATOM 796 NH1 ARG A 55 -3.889 8.078 11.029 1.00 0.00 N ATOM 797 NH2 ARG A 55 -4.513 8.982 13.074 1.00 0.00 N ATOM 0 H ARG A 55 -0.057 5.000 7.995 1.00 0.00 H new ATOM 0 HA ARG A 55 0.529 5.002 10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.128 6.933 10.220 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.284 5.647 9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.097 4.986 12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.305 6.725 12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.683 5.478 11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.307 4.735 12.866 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.810 6.757 13.977 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.521 7.299 10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.149 8.948 10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.620 8.891 14.084 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.773 9.853 12.610 1.00 0.00 H new ATOM 811 N ILE A 56 -0.071 2.617 10.572 1.00 0.00 N ATOM 812 CA ILE A 56 -0.468 1.220 10.531 1.00 0.00 C ATOM 813 C ILE A 56 -1.434 0.935 11.682 1.00 0.00 C ATOM 814 O ILE A 56 -1.243 1.425 12.794 1.00 0.00 O ATOM 815 CB ILE A 56 0.765 0.314 10.525 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.181 -0.035 9.094 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.531 -0.936 11.375 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.395 -0.967 9.088 1.00 0.00 C ATOM 0 H ILE A 56 0.777 2.804 11.107 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.001 1.002 9.606 1.00 0.00 H new ATOM 0 HB ILE A 56 1.593 0.860 10.977 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.349 -0.512 8.576 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.416 0.878 8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.423 -1.563 11.354 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.318 -0.642 12.403 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.315 -1.495 10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.670 -1.200 8.059 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.232 -0.477 9.586 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.149 -1.889 9.615 1.00 0.00 H new ATOM 830 N ASN A 57 -2.451 0.143 11.376 1.00 0.00 N ATOM 831 CA ASN A 57 -3.448 -0.213 12.371 1.00 0.00 C ATOM 832 C ASN A 57 -3.241 -1.668 12.796 1.00 0.00 C ATOM 833 O ASN A 57 -2.605 -2.442 12.083 1.00 0.00 O ATOM 834 CB ASN A 57 -4.864 -0.083 11.804 1.00 0.00 C ATOM 835 CG ASN A 57 -5.757 0.731 12.742 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.298 1.403 13.651 1.00 0.00 O ATOM 837 ND2 ASN A 57 -7.056 0.633 12.472 1.00 0.00 N ATOM 0 H ASN A 57 -2.606 -0.262 10.453 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.335 0.464 13.218 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.825 0.396 10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.293 -1.074 11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.735 1.138 13.041 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.373 0.052 11.696 1.00 0.00 H new ATOM 844 N GLN A 58 -3.791 -1.997 13.956 1.00 0.00 N ATOM 845 CA GLN A 58 -3.675 -3.345 14.484 1.00 0.00 C ATOM 846 C GLN A 58 -3.351 -4.330 13.359 1.00 0.00 C ATOM 847 O GLN A 58 -2.370 -5.067 13.437 1.00 0.00 O ATOM 848 CB GLN A 58 -4.949 -3.757 15.223 1.00 0.00 C ATOM 849 CG GLN A 58 -4.754 -3.678 16.739 1.00 0.00 C ATOM 850 CD GLN A 58 -5.732 -4.603 17.466 1.00 0.00 C ATOM 851 OE1 GLN A 58 -6.857 -4.815 17.045 1.00 0.00 O ATOM 852 NE2 GLN A 58 -5.241 -5.141 18.580 1.00 0.00 N ATOM 0 H GLN A 58 -4.318 -1.352 14.545 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.856 -3.362 15.203 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.773 -3.108 14.924 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.225 -4.773 14.941 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.730 -3.954 16.993 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.900 -2.652 17.075 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.290 -4.921 18.876 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.816 -5.773 19.137 1.00 0.00 H new ATOM 861 N GLY A 59 -4.196 -4.311 12.338 1.00 0.00 N ATOM 862 CA GLY A 59 -4.012 -5.193 11.198 1.00 0.00 C ATOM 863 C GLY A 59 -4.350 -4.475 9.889 1.00 0.00 C ATOM 864 O GLY A 59 -5.052 -5.022 9.041 1.00 0.00 O ATOM 0 H GLY A 59 -5.010 -3.699 12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.981 -5.545 11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.646 -6.073 11.308 1.00 0.00 H new ATOM 868 N GLN A 60 -3.833 -3.261 9.767 1.00 0.00 N ATOM 869 CA GLN A 60 -4.071 -2.463 8.577 1.00 0.00 C ATOM 870 C GLN A 60 -2.905 -1.501 8.341 1.00 0.00 C ATOM 871 O GLN A 60 -2.024 -1.369 9.189 1.00 0.00 O ATOM 872 CB GLN A 60 -5.396 -1.704 8.681 1.00 0.00 C ATOM 873 CG GLN A 60 -6.007 -1.477 7.297 1.00 0.00 C ATOM 874 CD GLN A 60 -7.496 -1.828 7.291 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.241 -1.504 8.201 1.00 0.00 O ATOM 876 NE2 GLN A 60 -7.887 -2.508 6.216 1.00 0.00 N ATOM 0 H GLN A 60 -3.250 -2.811 10.473 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.141 -3.135 7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.093 -2.266 9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.232 -0.745 9.172 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.874 -0.436 7.003 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.483 -2.086 6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.211 -2.747 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.862 -2.790 6.118 1.00 0.00 H new ATOM 885 N MET A 61 -2.938 -0.854 7.185 1.00 0.00 N ATOM 886 CA MET A 61 -1.895 0.092 6.828 1.00 0.00 C ATOM 887 C MET A 61 -2.483 1.317 6.123 1.00 0.00 C ATOM 888 O MET A 61 -2.963 1.217 4.995 1.00 0.00 O ATOM 889 CB MET A 61 -0.881 -0.589 5.907 1.00 0.00 C ATOM 890 CG MET A 61 -0.088 0.444 5.104 1.00 0.00 C ATOM 891 SD MET A 61 1.273 -0.349 4.264 1.00 0.00 S ATOM 892 CE MET A 61 2.225 -0.901 5.669 1.00 0.00 C ATOM 0 H MET A 61 -3.670 -0.966 6.484 1.00 0.00 H new ATOM 0 HA MET A 61 -1.403 0.424 7.743 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.197 -1.197 6.500 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.399 -1.264 5.226 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.740 0.931 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.288 1.222 5.768 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.190 -1.277 5.330 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.381 -0.067 6.353 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.686 -1.697 6.184 1.00 0.00 H new ATOM 902 N LEU A 62 -2.426 2.444 6.817 1.00 0.00 N ATOM 903 CA LEU A 62 -2.947 3.686 6.272 1.00 0.00 C ATOM 904 C LEU A 62 -1.788 4.529 5.737 1.00 0.00 C ATOM 905 O LEU A 62 -1.017 5.093 6.512 1.00 0.00 O ATOM 906 CB LEU A 62 -3.805 4.409 7.312 1.00 0.00 C ATOM 907 CG LEU A 62 -5.086 3.690 7.742 1.00 0.00 C ATOM 908 CD1 LEU A 62 -4.806 2.704 8.877 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.180 4.694 8.111 1.00 0.00 C ATOM 0 H LEU A 62 -2.027 2.523 7.752 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.610 3.485 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.195 4.584 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.077 5.386 6.914 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.454 3.110 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.733 2.207 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.083 1.960 8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.402 3.242 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.079 4.157 8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.837 5.320 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.404 5.321 7.248 1.00 0.00 H new ATOM 921 N VAL A 63 -1.701 4.589 4.417 1.00 0.00 N ATOM 922 CA VAL A 63 -0.649 5.354 3.769 1.00 0.00 C ATOM 923 C VAL A 63 -1.209 6.705 3.320 1.00 0.00 C ATOM 924 O VAL A 63 -2.295 6.771 2.747 1.00 0.00 O ATOM 925 CB VAL A 63 -0.046 4.545 2.619 1.00 0.00 C ATOM 926 CG1 VAL A 63 0.976 5.376 1.841 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.581 3.246 3.132 1.00 0.00 C ATOM 0 H VAL A 63 -2.342 4.120 3.777 1.00 0.00 H new ATOM 0 HA VAL A 63 0.163 5.555 4.468 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.853 4.281 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.389 4.777 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.488 6.259 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.779 5.684 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.002 2.690 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.371 3.480 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.183 2.642 3.621 1.00 0.00 H new ATOM 937 N THR A 64 -0.443 7.749 3.598 1.00 0.00 N ATOM 938 CA THR A 64 -0.849 9.095 3.230 1.00 0.00 C ATOM 939 C THR A 64 0.123 9.684 2.206 1.00 0.00 C ATOM 940 O THR A 64 1.337 9.538 2.342 1.00 0.00 O ATOM 941 CB THR A 64 -0.957 9.923 4.512 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.814 9.154 5.351 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.721 11.232 4.300 1.00 0.00 C ATOM 0 H THR A 64 0.457 7.690 4.074 1.00 0.00 H new ATOM 0 HA THR A 64 -1.824 9.095 2.743 1.00 0.00 H new ATOM 0 HB THR A 64 0.042 10.142 4.888 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.937 9.618 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.769 11.782 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.207 11.836 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.732 11.012 3.956 1.00 0.00 H new ATOM 951 N PHE A 65 -0.447 10.337 1.204 1.00 0.00 N ATOM 952 CA PHE A 65 0.354 10.948 0.158 1.00 0.00 C ATOM 953 C PHE A 65 0.077 12.450 0.062 1.00 0.00 C ATOM 954 O PHE A 65 -0.808 12.966 0.743 1.00 0.00 O ATOM 955 CB PHE A 65 -0.048 10.283 -1.160 1.00 0.00 C ATOM 956 CG PHE A 65 0.370 8.815 -1.269 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.687 8.478 -1.226 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.576 7.848 -1.408 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.074 7.115 -1.326 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.188 6.485 -1.509 1.00 0.00 C ATOM 961 CZ PHE A 65 1.128 6.148 -1.466 1.00 0.00 C ATOM 0 H PHE A 65 -1.454 10.456 1.095 1.00 0.00 H new ATOM 0 HA PHE A 65 1.414 10.814 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.130 10.352 -1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.396 10.839 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.438 9.246 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.622 8.116 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.120 6.847 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.939 5.717 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.423 5.112 -1.543 1.00 0.00 H new ATOM 971 N ALA A 66 0.850 13.109 -0.789 1.00 0.00 N ATOM 972 CA ALA A 66 0.699 14.541 -0.982 1.00 0.00 C ATOM 973 C ALA A 66 -0.225 14.796 -2.175 1.00 0.00 C ATOM 974 O ALA A 66 -0.959 15.782 -2.197 1.00 0.00 O ATOM 975 CB ALA A 66 2.077 15.180 -1.165 1.00 0.00 C ATOM 0 H ALA A 66 1.583 12.678 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 66 0.241 15.000 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.964 16.254 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.684 14.995 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.566 14.746 -2.037 1.00 0.00 H new ATOM 981 N ASP A 67 -0.158 13.889 -3.139 1.00 0.00 N ATOM 982 CA ASP A 67 -0.979 14.002 -4.332 1.00 0.00 C ATOM 983 C ASP A 67 -2.106 12.970 -4.271 1.00 0.00 C ATOM 984 O ASP A 67 -1.914 11.865 -3.765 1.00 0.00 O ATOM 985 CB ASP A 67 -0.158 13.731 -5.594 1.00 0.00 C ATOM 986 CG ASP A 67 -0.644 14.455 -6.851 1.00 0.00 C ATOM 987 OD1 ASP A 67 -1.753 15.029 -6.782 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.103 14.419 -7.852 1.00 0.00 O ATOM 0 H ASP A 67 0.453 13.072 -3.118 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.377 15.016 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.876 14.018 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.161 12.658 -5.787 1.00 0.00 H new ATOM 993 N SER A 68 -3.258 13.366 -4.793 1.00 0.00 N ATOM 994 CA SER A 68 -4.416 12.489 -4.804 1.00 0.00 C ATOM 995 C SER A 68 -4.398 11.614 -6.059 1.00 0.00 C ATOM 996 O SER A 68 -4.861 10.474 -6.033 1.00 0.00 O ATOM 997 CB SER A 68 -5.716 13.292 -4.737 1.00 0.00 C ATOM 998 OG SER A 68 -5.988 13.972 -5.959 1.00 0.00 O ATOM 0 H SER A 68 -3.414 14.283 -5.211 1.00 0.00 H new ATOM 0 HA SER A 68 -4.369 11.850 -3.922 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.544 12.623 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.653 14.017 -3.925 1.00 0.00 H new ATOM 0 HG SER A 68 -6.827 14.472 -5.876 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.858 12.179 -7.129 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.773 11.465 -8.391 1.00 0.00 C ATOM 1006 C HIS A 69 -2.912 10.213 -8.215 1.00 0.00 C ATOM 1007 O HIS A 69 -3.335 9.110 -8.561 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.262 12.384 -9.502 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.805 13.792 -9.433 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -3.100 14.890 -9.892 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -4.991 14.267 -8.956 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.838 15.973 -9.694 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -5.009 15.585 -9.113 1.00 0.00 N ATOM 0 H HIS A 69 -3.475 13.124 -7.147 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.768 11.140 -8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.174 12.423 -9.456 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.525 11.951 -10.467 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.782 13.672 -8.524 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.561 16.985 -9.948 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.773 16.205 -8.844 1.00 0.00 H new ATOM 1021 N SER A 70 -1.720 10.424 -7.677 1.00 0.00 N ATOM 1022 CA SER A 70 -0.795 9.326 -7.452 1.00 0.00 C ATOM 1023 C SER A 70 -1.557 8.094 -6.958 1.00 0.00 C ATOM 1024 O SER A 70 -1.427 7.011 -7.527 1.00 0.00 O ATOM 1025 CB SER A 70 0.289 9.717 -6.446 1.00 0.00 C ATOM 1026 OG SER A 70 -0.264 10.212 -5.229 1.00 0.00 O ATOM 0 H SER A 70 -1.373 11.339 -7.390 1.00 0.00 H new ATOM 0 HA SER A 70 -0.307 9.090 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.915 8.851 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.935 10.477 -6.886 1.00 0.00 H new ATOM 0 HG SER A 70 0.460 10.449 -4.613 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.335 8.301 -5.906 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.117 7.220 -5.330 1.00 0.00 C ATOM 1034 C ALA A 71 -4.000 6.601 -6.415 1.00 0.00 C ATOM 1035 O ALA A 71 -4.028 5.382 -6.576 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.931 7.753 -4.149 1.00 0.00 C ATOM 0 H ALA A 71 -2.441 9.201 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.465 6.435 -4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.518 6.943 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.256 8.155 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.600 8.541 -4.494 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.699 7.469 -7.131 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.581 7.023 -8.196 1.00 0.00 C ATOM 1044 C LEU A 72 -4.844 6.007 -9.070 1.00 0.00 C ATOM 1045 O LEU A 72 -5.434 5.026 -9.521 1.00 0.00 O ATOM 1046 CB LEU A 72 -6.130 8.220 -8.974 1.00 0.00 C ATOM 1047 CG LEU A 72 -7.600 8.564 -8.727 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -7.734 9.889 -7.974 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -8.390 8.568 -10.038 1.00 0.00 C ATOM 0 H LEU A 72 -4.672 8.479 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.452 6.515 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.527 9.094 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.996 8.028 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.030 7.788 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.789 10.110 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.227 9.814 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.282 10.688 -8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.432 8.815 -9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.967 9.310 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.335 7.582 -10.499 1.00 0.00 H new ATOM 1061 N SER A 73 -3.564 6.275 -9.283 1.00 0.00 N ATOM 1062 CA SER A 73 -2.740 5.396 -10.095 1.00 0.00 C ATOM 1063 C SER A 73 -2.337 4.161 -9.287 1.00 0.00 C ATOM 1064 O SER A 73 -2.542 3.032 -9.729 1.00 0.00 O ATOM 1065 CB SER A 73 -1.495 6.125 -10.606 1.00 0.00 C ATOM 1066 OG SER A 73 -1.651 6.570 -11.950 1.00 0.00 O ATOM 0 H SER A 73 -3.077 7.089 -8.907 1.00 0.00 H new ATOM 0 HA SER A 73 -3.325 5.082 -10.959 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.286 6.980 -9.963 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.634 5.460 -10.542 1.00 0.00 H new ATOM 0 HG SER A 73 -0.836 7.032 -12.238 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.772 4.418 -8.116 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.339 3.341 -7.242 1.00 0.00 C ATOM 1074 C VAL A 74 -2.514 2.395 -6.984 1.00 0.00 C ATOM 1075 O VAL A 74 -2.315 1.216 -6.698 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.743 3.918 -5.956 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.481 2.814 -4.930 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.533 4.708 -6.250 1.00 0.00 C ATOM 0 H VAL A 74 -1.604 5.356 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.550 2.758 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.472 4.606 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.058 3.251 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.418 2.313 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.220 2.090 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.936 5.107 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.270 4.051 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.304 5.530 -6.928 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.713 2.949 -7.096 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.920 2.169 -6.879 1.00 0.00 C ATOM 1090 C LEU A 75 -5.108 1.194 -8.043 1.00 0.00 C ATOM 1091 O LEU A 75 -5.424 0.024 -7.832 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.119 3.092 -6.650 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.205 3.750 -5.272 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -7.206 4.907 -5.278 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.530 2.718 -4.190 1.00 0.00 C ATOM 0 H LEU A 75 -3.874 3.928 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.830 1.570 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.097 3.878 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.031 2.518 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.228 4.170 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.248 5.357 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.891 5.657 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.193 4.533 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.585 3.213 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.488 2.247 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.749 1.958 -4.166 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.906 1.711 -9.246 1.00 0.00 N ATOM 1108 CA ASP A 76 -5.049 0.900 -10.443 1.00 0.00 C ATOM 1109 C ASP A 76 -3.814 0.011 -10.602 1.00 0.00 C ATOM 1110 O ASP A 76 -3.861 -1.004 -11.295 1.00 0.00 O ATOM 1111 CB ASP A 76 -5.165 1.777 -11.691 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.573 1.879 -12.282 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -7.526 1.567 -11.534 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.665 2.265 -13.467 1.00 0.00 O ATOM 0 H ASP A 76 -4.644 2.682 -9.417 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.953 0.300 -10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.817 2.780 -11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.494 1.385 -12.455 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.738 0.425 -9.950 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.493 -0.321 -10.010 1.00 0.00 C ATOM 1121 C VAL A 77 -1.507 -1.416 -8.942 1.00 0.00 C ATOM 1122 O VAL A 77 -0.632 -2.280 -8.922 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.304 0.633 -9.873 1.00 0.00 C ATOM 1124 CG1 VAL A 77 1.021 -0.121 -10.004 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -0.392 1.769 -10.895 1.00 0.00 C ATOM 0 H VAL A 77 -2.703 1.268 -9.377 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.389 -0.812 -10.977 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.341 1.075 -8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.850 0.580 -9.903 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.088 -0.878 -9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.070 -0.603 -10.980 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.465 2.432 -10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.392 1.353 -11.902 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.312 2.332 -10.735 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.510 -1.344 -8.080 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.650 -2.319 -7.011 1.00 0.00 C ATOM 1137 C ASP A 78 -2.306 -3.710 -7.547 1.00 0.00 C ATOM 1138 O ASP A 78 -1.624 -4.486 -6.879 1.00 0.00 O ATOM 1139 CB ASP A 78 -4.086 -2.357 -6.484 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.498 -1.147 -5.643 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -3.609 -0.308 -5.382 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.693 -1.089 -5.281 1.00 0.00 O ATOM 0 H ASP A 78 -3.234 -0.626 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.977 -2.032 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.766 -2.440 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.213 -3.258 -5.884 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.793 -3.983 -8.749 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.546 -5.267 -9.382 1.00 0.00 C ATOM 1149 C GLY A 79 -1.097 -5.712 -9.173 1.00 0.00 C ATOM 1150 O GLY A 79 -0.807 -6.907 -9.153 1.00 0.00 O ATOM 0 H GLY A 79 -3.357 -3.337 -9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.223 -6.016 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.758 -5.197 -10.449 1.00 0.00 H new ATOM 1154 N MET A 80 -0.225 -4.726 -9.022 1.00 0.00 N ATOM 1155 CA MET A 80 1.187 -5.000 -8.815 1.00 0.00 C ATOM 1156 C MET A 80 1.388 -6.030 -7.701 1.00 0.00 C ATOM 1157 O MET A 80 0.472 -6.296 -6.924 1.00 0.00 O ATOM 1158 CB MET A 80 1.911 -3.703 -8.447 1.00 0.00 C ATOM 1159 CG MET A 80 1.681 -3.344 -6.978 1.00 0.00 C ATOM 1160 SD MET A 80 1.306 -1.606 -6.826 1.00 0.00 S ATOM 1161 CE MET A 80 2.938 -0.964 -6.495 1.00 0.00 C ATOM 0 H MET A 80 -0.469 -3.736 -9.039 1.00 0.00 H new ATOM 0 HA MET A 80 1.598 -5.406 -9.739 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.979 -3.813 -8.635 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.557 -2.892 -9.083 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.861 -3.938 -6.574 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.568 -3.586 -6.393 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.894 0.123 -6.425 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.306 -1.374 -5.554 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.612 -1.249 -7.303 1.00 0.00 H new ATOM 1171 N LYS A 81 2.592 -6.582 -7.659 1.00 0.00 N ATOM 1172 CA LYS A 81 2.924 -7.576 -6.654 1.00 0.00 C ATOM 1173 C LYS A 81 4.294 -7.251 -6.054 1.00 0.00 C ATOM 1174 O LYS A 81 5.203 -6.830 -6.767 1.00 0.00 O ATOM 1175 CB LYS A 81 2.830 -8.986 -7.242 1.00 0.00 C ATOM 1176 CG LYS A 81 1.371 -9.426 -7.380 1.00 0.00 C ATOM 1177 CD LYS A 81 1.069 -9.884 -8.808 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.259 -10.640 -8.872 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.025 -12.076 -9.142 1.00 0.00 N ATOM 0 H LYS A 81 3.349 -6.359 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 81 2.202 -7.547 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.315 -9.010 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.366 -9.687 -6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.165 -10.238 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.712 -8.600 -7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.032 -9.019 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.874 -10.525 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.796 -10.524 -7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.889 -10.215 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.937 -12.575 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.468 -12.182 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.558 -12.482 -8.382 1.00 0.00 H new ATOM 1193 N VAL A 82 4.397 -7.459 -4.749 1.00 0.00 N ATOM 1194 CA VAL A 82 5.640 -7.193 -4.046 1.00 0.00 C ATOM 1195 C VAL A 82 6.132 -8.481 -3.383 1.00 0.00 C ATOM 1196 O VAL A 82 5.381 -9.139 -2.664 1.00 0.00 O ATOM 1197 CB VAL A 82 5.444 -6.047 -3.052 1.00 0.00 C ATOM 1198 CG1 VAL A 82 4.662 -4.897 -3.689 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.756 -6.538 -1.777 1.00 0.00 C ATOM 0 H VAL A 82 3.640 -7.808 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 82 6.412 -6.871 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 82 6.429 -5.670 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.536 -4.095 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.209 -4.520 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.683 -5.255 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.629 -5.703 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.780 -6.954 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.368 -7.307 -1.306 1.00 0.00 H new ATOM 1209 N LYS A 83 7.389 -8.803 -3.649 1.00 0.00 N ATOM 1210 CA LYS A 83 7.990 -10.001 -3.087 1.00 0.00 C ATOM 1211 C LYS A 83 7.213 -11.229 -3.566 1.00 0.00 C ATOM 1212 O LYS A 83 7.318 -12.304 -2.977 1.00 0.00 O ATOM 1213 CB LYS A 83 8.085 -9.889 -1.564 1.00 0.00 C ATOM 1214 CG LYS A 83 9.539 -9.733 -1.115 1.00 0.00 C ATOM 1215 CD LYS A 83 9.694 -10.070 0.369 1.00 0.00 C ATOM 1216 CE LYS A 83 10.932 -9.392 0.959 1.00 0.00 C ATOM 1217 NZ LYS A 83 12.165 -10.064 0.491 1.00 0.00 N ATOM 0 H LYS A 83 8.008 -8.255 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 83 9.015 -10.114 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.501 -9.034 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.652 -10.776 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.179 -10.386 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.872 -8.711 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.806 -9.750 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.772 -11.150 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.951 -8.341 0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.886 -9.421 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.995 -9.591 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.152 -11.060 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.215 -10.014 -0.547 1.00 0.00 H new ATOM 1231 N GLY A 84 6.450 -11.028 -4.630 1.00 0.00 N ATOM 1232 CA GLY A 84 5.655 -12.106 -5.196 1.00 0.00 C ATOM 1233 C GLY A 84 4.241 -12.108 -4.613 1.00 0.00 C ATOM 1234 O GLY A 84 3.359 -12.803 -5.115 1.00 0.00 O ATOM 0 H GLY A 84 6.365 -10.135 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.605 -11.996 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.137 -13.063 -4.994 1.00 0.00 H new ATOM 1238 N ARG A 85 4.068 -11.321 -3.560 1.00 0.00 N ATOM 1239 CA ARG A 85 2.775 -11.223 -2.904 1.00 0.00 C ATOM 1240 C ARG A 85 1.913 -10.158 -3.584 1.00 0.00 C ATOM 1241 O ARG A 85 2.404 -9.082 -3.925 1.00 0.00 O ATOM 1242 CB ARG A 85 2.935 -10.871 -1.423 1.00 0.00 C ATOM 1243 CG ARG A 85 3.236 -12.120 -0.592 1.00 0.00 C ATOM 1244 CD ARG A 85 1.975 -12.629 0.110 1.00 0.00 C ATOM 1245 NE ARG A 85 1.934 -14.107 0.069 1.00 0.00 N ATOM 1246 CZ ARG A 85 1.438 -14.817 -0.954 1.00 0.00 C ATOM 1247 NH1 ARG A 85 0.939 -14.187 -2.026 1.00 0.00 N ATOM 1248 NH2 ARG A 85 1.442 -16.156 -0.905 1.00 0.00 N ATOM 0 H ARG A 85 4.801 -10.746 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 85 2.288 -12.195 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.741 -10.147 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.024 -10.398 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.638 -12.902 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.002 -11.892 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.961 -12.285 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.089 -12.219 -0.374 1.00 0.00 H new ATOM 0 HE ARG A 85 2.307 -14.618 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.937 -13.168 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.561 -14.727 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.823 -16.635 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.064 -16.696 -1.684 1.00 0.00 H new ATOM 1262 N ALA A 86 0.644 -10.494 -3.762 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.291 -9.579 -4.395 1.00 0.00 C ATOM 1264 C ALA A 86 -0.713 -8.509 -3.387 1.00 0.00 C ATOM 1265 O ALA A 86 -1.368 -8.812 -2.391 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.483 -10.366 -4.943 1.00 0.00 C ATOM 0 H ALA A 86 0.241 -11.387 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 86 0.180 -9.071 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.185 -9.680 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.133 -11.093 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.982 -10.887 -4.126 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.320 -7.278 -3.680 1.00 0.00 N ATOM 1273 CA VAL A 87 -0.649 -6.160 -2.812 1.00 0.00 C ATOM 1274 C VAL A 87 -1.867 -5.424 -3.374 1.00 0.00 C ATOM 1275 O VAL A 87 -2.039 -5.340 -4.589 1.00 0.00 O ATOM 1276 CB VAL A 87 0.571 -5.253 -2.641 1.00 0.00 C ATOM 1277 CG1 VAL A 87 1.623 -5.912 -1.746 1.00 0.00 C ATOM 1278 CG2 VAL A 87 1.166 -4.873 -3.998 1.00 0.00 C ATOM 0 H VAL A 87 0.224 -7.030 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.915 -6.515 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 87 0.241 -4.337 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.480 -5.246 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.193 -6.109 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.946 -6.851 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.032 -4.228 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.473 -5.776 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.418 -4.344 -4.588 1.00 0.00 H new ATOM 1288 N LYS A 88 -2.681 -4.911 -2.464 1.00 0.00 N ATOM 1289 CA LYS A 88 -3.878 -4.185 -2.854 1.00 0.00 C ATOM 1290 C LYS A 88 -4.012 -2.930 -1.989 1.00 0.00 C ATOM 1291 O LYS A 88 -3.559 -2.908 -0.845 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.101 -5.102 -2.801 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.307 -4.447 -3.479 1.00 0.00 C ATOM 1294 CD LYS A 88 -6.978 -5.413 -4.457 1.00 0.00 C ATOM 1295 CE LYS A 88 -8.049 -4.699 -5.285 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.342 -4.692 -4.565 1.00 0.00 N ATOM 0 H LYS A 88 -2.535 -4.984 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.802 -3.852 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.872 -6.048 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.343 -5.332 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.026 -4.131 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.988 -3.550 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.228 -5.844 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.429 -6.239 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.735 -3.676 -5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.165 -5.197 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.057 -4.204 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.647 -5.671 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.231 -4.197 -3.657 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.637 -1.915 -2.568 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.836 -0.659 -1.865 1.00 0.00 C ATOM 1312 C ILE A 89 -6.293 -0.218 -2.021 1.00 0.00 C ATOM 1313 O ILE A 89 -6.764 -0.005 -3.137 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.823 0.386 -2.336 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.392 -0.134 -2.193 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -4.027 1.715 -1.605 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.649 -0.073 -3.529 1.00 0.00 C ATOM 0 H ILE A 89 -5.012 -1.937 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.653 -0.787 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.992 0.573 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.859 0.458 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.410 -1.161 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.294 2.441 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.032 2.088 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.900 1.564 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.634 -0.449 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.171 -0.686 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.612 0.959 -3.878 1.00 0.00 H new ATOM 1329 N SER A 90 -6.966 -0.095 -0.887 1.00 0.00 N ATOM 1330 CA SER A 90 -8.359 0.317 -0.884 1.00 0.00 C ATOM 1331 C SER A 90 -8.472 1.778 -0.443 1.00 0.00 C ATOM 1332 O SER A 90 -7.464 2.425 -0.161 1.00 0.00 O ATOM 1333 CB SER A 90 -9.196 -0.579 0.031 1.00 0.00 C ATOM 1334 OG SER A 90 -9.070 -1.957 -0.310 1.00 0.00 O ATOM 0 H SER A 90 -6.572 -0.274 0.037 1.00 0.00 H new ATOM 0 HA SER A 90 -8.747 0.219 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.885 -0.432 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.243 -0.284 -0.032 1.00 0.00 H new ATOM 0 HG SER A 90 -9.618 -2.496 0.298 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.707 2.256 -0.399 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.965 3.628 0.002 1.00 0.00 C ATOM 1342 C GLY A 91 -10.622 3.682 1.383 1.00 0.00 C ATOM 1343 O GLY A 91 -11.799 3.357 1.527 1.00 0.00 O ATOM 0 H GLY A 91 -10.540 1.717 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.030 4.188 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.612 4.109 -0.731 1.00 0.00 H new ATOM 1347 N PRO A 92 -9.811 4.105 2.389 1.00 0.00 N ATOM 1348 CA PRO A 92 -10.301 4.206 3.753 1.00 0.00 C ATOM 1349 C PRO A 92 -11.206 5.428 3.922 1.00 0.00 C ATOM 1350 O PRO A 92 -12.428 5.316 3.839 1.00 0.00 O ATOM 1351 CB PRO A 92 -9.051 4.268 4.617 1.00 0.00 C ATOM 1352 CG PRO A 92 -7.920 4.668 3.684 1.00 0.00 C ATOM 1353 CD PRO A 92 -8.411 4.498 2.255 1.00 0.00 C ATOM 0 HA PRO A 92 -10.925 3.359 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -9.168 4.993 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.850 3.304 5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.623 5.701 3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.041 4.048 3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.312 5.424 1.689 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.835 3.739 1.726 1.00 0.00 H new ATOM 1361 N SER A 93 -10.571 6.567 4.157 1.00 0.00 N ATOM 1362 CA SER A 93 -11.303 7.808 4.338 1.00 0.00 C ATOM 1363 C SER A 93 -10.356 9.001 4.193 1.00 0.00 C ATOM 1364 O SER A 93 -9.198 8.835 3.813 1.00 0.00 O ATOM 1365 CB SER A 93 -11.997 7.845 5.702 1.00 0.00 C ATOM 1366 OG SER A 93 -12.949 8.901 5.788 1.00 0.00 O ATOM 0 H SER A 93 -9.557 6.656 4.226 1.00 0.00 H new ATOM 0 HA SER A 93 -12.072 7.866 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.495 6.892 5.881 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.249 7.966 6.486 1.00 0.00 H new ATOM 0 HG SER A 93 -13.371 8.890 6.672 1.00 0.00 H new ATOM 1372 N SER A 94 -10.884 10.176 4.502 1.00 0.00 N ATOM 1373 CA SER A 94 -10.100 11.396 4.410 1.00 0.00 C ATOM 1374 C SER A 94 -9.193 11.529 5.635 1.00 0.00 C ATOM 1375 O SER A 94 -9.433 10.893 6.661 1.00 0.00 O ATOM 1376 CB SER A 94 -11.004 12.624 4.283 1.00 0.00 C ATOM 1377 OG SER A 94 -11.583 12.992 5.532 1.00 0.00 O ATOM 0 H SER A 94 -11.845 10.309 4.816 1.00 0.00 H new ATOM 0 HA SER A 94 -9.483 11.339 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.426 13.461 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.796 12.418 3.563 1.00 0.00 H new ATOM 0 HG SER A 94 -12.152 13.781 5.409 1.00 0.00 H new ATOM 1383 N GLY A 95 -8.171 12.359 5.488 1.00 0.00 N ATOM 1384 CA GLY A 95 -7.228 12.583 6.571 1.00 0.00 C ATOM 1385 C GLY A 95 -6.567 11.273 7.002 1.00 0.00 C ATOM 1386 O GLY A 95 -7.224 10.397 7.563 1.00 0.00 O ATOM 0 H GLY A 95 -7.975 12.884 4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.464 13.292 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.744 13.031 7.420 1.00 0.00 H new TER 1390 GLY A 95