USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 922 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 110 TYR OH : rot 80:sc= -0.481 USER MOD Set 1.2: A 115 SER OG : rot -81:sc= 0.178 USER MOD Single : A 1 SER N :NH3+ 176:sc= -0.152 (180deg=-0.161) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 118:sc= 0 USER MOD Single : A 6 MET CE :methyl 168:sc= 0 (180deg=-0.153) USER MOD Single : A 9 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.1) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 46:sc= 0.175 USER MOD Single : A 19 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=-0.0095) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -85:sc= -0.0137 USER MOD Single : A 39 SER OG : rot -16:sc= 0.253 USER MOD Single : A 40 CYS SG : rot 17:sc= 0.161! USER MOD Single : A 54 SER OG : rot 180:sc= -0.0986 USER MOD Single : A 55 SER OG : rot -8:sc= 0.296 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.577 X(o=-0.58,f=-0.33) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0823 X(o=-0.082,f=-0.082) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -2.3 (180deg=-2.59!) USER MOD Single : A 72 SER OG : rot -160:sc= 0.997 USER MOD Single : A 74 THR OG1 : rot -160:sc= 0 USER MOD Single : A 80 SER OG : rot 46:sc= 1.26 USER MOD Single : A 83 GLN : amide:sc=-0.00699 K(o=-0.007,f=-2.9!) USER MOD Single : A 84 LYS NZ :NH3+ 138:sc= -1.75 (180deg=-4.34!) USER MOD Single : A 85 ASN : amide:sc= 0.222 K(o=0.22,f=-0.85) USER MOD Single : A 86 LYS NZ :NH3+ -132:sc= -0.403 (180deg=-0.471) USER MOD Single : A 87 THR OG1 : rot -65:sc= 0.0245 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.7) USER MOD Single : A 98 MET CE :methyl -140:sc= -0.0722 (180deg=-1.94) USER MOD Single : A 100 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-8.1!) USER MOD Single : A 105 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0.032) USER MOD Single : A 108 THR OG1 : rot -77:sc= 1.15 USER MOD Single : A 109 ASN : amide:sc= -0.0346 K(o=-0.035,f=-0.89) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.184 4.142 -18.511 1.00 0.00 N ATOM 2 CA SER A 1 10.357 5.008 -18.809 1.00 0.00 C ATOM 3 C SER A 1 9.945 6.473 -18.893 1.00 0.00 C ATOM 4 O SER A 1 10.769 7.352 -19.149 1.00 0.00 O ATOM 5 CB SER A 1 11.002 4.573 -20.125 1.00 0.00 C ATOM 6 OG SER A 1 10.350 3.427 -20.640 1.00 0.00 O ATOM 0 H1 SER A 1 9.477 3.144 -18.526 1.00 0.00 H new ATOM 0 H2 SER A 1 8.808 4.379 -17.571 1.00 0.00 H new ATOM 0 H3 SER A 1 8.447 4.297 -19.228 1.00 0.00 H new ATOM 0 HA SER A 1 11.078 4.901 -17.999 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.949 5.386 -20.849 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.058 4.357 -19.965 1.00 0.00 H new ATOM 0 HG SER A 1 10.773 3.161 -21.483 1.00 0.00 H new ATOM 14 N GLU A 2 8.660 6.728 -18.674 1.00 0.00 N ATOM 15 CA GLU A 2 8.131 8.084 -18.723 1.00 0.00 C ATOM 16 C GLU A 2 7.823 8.584 -17.313 1.00 0.00 C ATOM 17 O GLU A 2 7.101 7.931 -16.559 1.00 0.00 O ATOM 18 CB GLU A 2 6.869 8.131 -19.593 1.00 0.00 C ATOM 19 CG GLU A 2 6.285 9.526 -19.761 1.00 0.00 C ATOM 20 CD GLU A 2 5.063 9.547 -20.663 1.00 0.00 C ATOM 21 OE1 GLU A 2 4.669 8.470 -21.154 1.00 0.00 O ATOM 22 OE2 GLU A 2 4.503 10.642 -20.873 1.00 0.00 O ATOM 0 H GLU A 2 7.966 6.012 -18.461 1.00 0.00 H new ATOM 0 HA GLU A 2 8.884 8.736 -19.166 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.103 7.725 -20.577 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.112 7.482 -19.153 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.015 9.923 -18.782 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.047 10.187 -20.174 1.00 0.00 H new ATOM 29 N PHE A 3 8.368 9.745 -16.968 1.00 0.00 N ATOM 30 CA PHE A 3 8.155 10.330 -15.649 1.00 0.00 C ATOM 31 C PHE A 3 7.648 11.761 -15.774 1.00 0.00 C ATOM 32 O PHE A 3 7.960 12.455 -16.742 1.00 0.00 O ATOM 33 CB PHE A 3 9.449 10.305 -14.829 1.00 0.00 C ATOM 34 CG PHE A 3 9.988 8.924 -14.584 1.00 0.00 C ATOM 35 CD1 PHE A 3 11.034 8.427 -15.348 1.00 0.00 C ATOM 36 CD2 PHE A 3 9.448 8.120 -13.592 1.00 0.00 C ATOM 37 CE1 PHE A 3 11.531 7.157 -15.123 1.00 0.00 C ATOM 38 CE2 PHE A 3 9.940 6.849 -13.366 1.00 0.00 C ATOM 39 CZ PHE A 3 10.983 6.367 -14.133 1.00 0.00 C ATOM 0 H PHE A 3 8.961 10.301 -17.584 1.00 0.00 H new ATOM 0 HA PHE A 3 7.403 9.733 -15.133 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.207 10.894 -15.346 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.269 10.790 -13.869 1.00 0.00 H new ATOM 0 HD1 PHE A 3 11.465 9.039 -16.127 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.633 8.492 -12.989 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.348 6.783 -15.722 1.00 0.00 H new ATOM 0 HE2 PHE A 3 9.510 6.233 -12.590 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.369 5.374 -13.958 1.00 0.00 H new ATOM 49 N GLY A 4 6.865 12.196 -14.794 1.00 0.00 N ATOM 50 CA GLY A 4 6.325 13.543 -14.816 1.00 0.00 C ATOM 51 C GLY A 4 5.703 13.928 -13.488 1.00 0.00 C ATOM 52 O GLY A 4 5.764 13.153 -12.531 1.00 0.00 O ATOM 0 H GLY A 4 6.594 11.639 -13.983 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.119 14.248 -15.062 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.575 13.620 -15.603 1.00 0.00 H new ATOM 56 N SER A 5 5.120 15.132 -13.438 1.00 0.00 N ATOM 57 CA SER A 5 4.467 15.666 -12.230 1.00 0.00 C ATOM 58 C SER A 5 5.485 16.068 -11.159 1.00 0.00 C ATOM 59 O SER A 5 5.505 17.220 -10.729 1.00 0.00 O ATOM 60 CB SER A 5 3.457 14.665 -11.653 1.00 0.00 C ATOM 61 OG SER A 5 2.451 14.351 -12.601 1.00 0.00 O ATOM 0 H SER A 5 5.086 15.767 -14.235 1.00 0.00 H new ATOM 0 HA SER A 5 3.930 16.564 -12.535 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.975 13.754 -11.352 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.999 15.082 -10.756 1.00 0.00 H new ATOM 0 HG SER A 5 2.488 13.395 -12.812 1.00 0.00 H new ATOM 67 N MET A 6 6.326 15.114 -10.745 1.00 0.00 N ATOM 68 CA MET A 6 7.353 15.350 -9.723 1.00 0.00 C ATOM 69 C MET A 6 6.745 15.898 -8.431 1.00 0.00 C ATOM 70 O MET A 6 7.198 16.912 -7.897 1.00 0.00 O ATOM 71 CB MET A 6 8.430 16.305 -10.249 1.00 0.00 C ATOM 72 CG MET A 6 9.292 15.707 -11.349 1.00 0.00 C ATOM 73 SD MET A 6 10.449 16.898 -12.052 1.00 0.00 S ATOM 74 CE MET A 6 11.596 17.101 -10.691 1.00 0.00 C ATOM 0 H MET A 6 6.315 14.160 -11.107 1.00 0.00 H new ATOM 0 HA MET A 6 7.815 14.389 -9.495 1.00 0.00 H new ATOM 0 HB2 MET A 6 7.950 17.208 -10.626 1.00 0.00 H new ATOM 0 HB3 MET A 6 9.071 16.607 -9.421 1.00 0.00 H new ATOM 0 HG2 MET A 6 9.848 14.859 -10.949 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.649 15.321 -12.140 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.480 17.636 -11.037 1.00 0.00 H new ATOM 0 HE2 MET A 6 11.117 17.669 -9.893 1.00 0.00 H new ATOM 0 HE3 MET A 6 11.889 16.122 -10.313 1.00 0.00 H new ATOM 84 N ALA A 7 5.721 15.216 -7.929 1.00 0.00 N ATOM 85 CA ALA A 7 5.048 15.635 -6.707 1.00 0.00 C ATOM 86 C ALA A 7 4.801 14.446 -5.787 1.00 0.00 C ATOM 87 O ALA A 7 4.683 13.310 -6.248 1.00 0.00 O ATOM 88 CB ALA A 7 3.734 16.330 -7.041 1.00 0.00 C ATOM 0 H ALA A 7 5.339 14.370 -8.351 1.00 0.00 H new ATOM 0 HA ALA A 7 5.695 16.339 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.241 16.638 -6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.933 17.207 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.087 15.643 -7.586 1.00 0.00 H new ATOM 94 N GLY A 8 4.726 14.714 -4.489 1.00 0.00 N ATOM 95 CA GLY A 8 4.498 13.662 -3.517 1.00 0.00 C ATOM 96 C GLY A 8 4.353 14.210 -2.113 1.00 0.00 C ATOM 97 O GLY A 8 4.331 15.427 -1.918 1.00 0.00 O ATOM 0 H GLY A 8 4.820 15.648 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.598 13.109 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.327 12.955 -3.547 1.00 0.00 H new ATOM 101 N ASN A 9 4.261 13.321 -1.131 1.00 0.00 N ATOM 102 CA ASN A 9 4.112 13.734 0.262 1.00 0.00 C ATOM 103 C ASN A 9 4.987 12.887 1.181 1.00 0.00 C ATOM 104 O ASN A 9 5.191 11.699 0.933 1.00 0.00 O ATOM 105 CB ASN A 9 2.646 13.635 0.697 1.00 0.00 C ATOM 106 CG ASN A 9 2.370 14.397 1.979 1.00 0.00 C ATOM 107 OD1 ASN A 9 2.990 15.426 2.247 1.00 0.00 O ATOM 108 ND2 ASN A 9 1.439 13.896 2.779 1.00 0.00 N ATOM 0 H ASN A 9 4.287 12.311 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 9 4.435 14.772 0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.007 14.022 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.381 12.587 0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.213 14.366 3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.949 13.040 2.518 1.00 0.00 H new ATOM 115 N CYS A 10 5.506 13.510 2.236 1.00 0.00 N ATOM 116 CA CYS A 10 6.364 12.817 3.195 1.00 0.00 C ATOM 117 C CYS A 10 5.568 11.797 4.008 1.00 0.00 C ATOM 118 O CYS A 10 4.517 12.119 4.564 1.00 0.00 O ATOM 119 CB CYS A 10 7.037 13.825 4.131 1.00 0.00 C ATOM 120 SG CYS A 10 8.146 13.078 5.351 1.00 0.00 S ATOM 0 H CYS A 10 5.347 14.495 2.449 1.00 0.00 H new ATOM 0 HA CYS A 10 7.132 12.283 2.635 1.00 0.00 H new ATOM 0 HB2 CYS A 10 7.602 14.539 3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.265 14.389 4.655 1.00 0.00 H new ATOM 0 HG CYS A 10 8.667 14.010 6.092 1.00 0.00 H new ATOM 126 N GLY A 11 6.076 10.572 4.073 1.00 0.00 N ATOM 127 CA GLY A 11 5.401 9.526 4.819 1.00 0.00 C ATOM 128 C GLY A 11 6.316 8.845 5.817 1.00 0.00 C ATOM 129 O GLY A 11 7.538 8.951 5.718 1.00 0.00 O ATOM 0 H GLY A 11 6.944 10.284 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.547 9.952 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.009 8.783 4.124 1.00 0.00 H new ATOM 133 N ALA A 12 5.725 8.142 6.779 1.00 0.00 N ATOM 134 CA ALA A 12 6.490 7.441 7.803 1.00 0.00 C ATOM 135 C ALA A 12 5.794 6.144 8.198 1.00 0.00 C ATOM 136 O ALA A 12 4.577 6.018 8.056 1.00 0.00 O ATOM 137 CB ALA A 12 6.687 8.331 9.023 1.00 0.00 C ATOM 0 H ALA A 12 4.714 8.043 6.870 1.00 0.00 H new ATOM 0 HA ALA A 12 7.469 7.195 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.260 7.792 9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.227 9.232 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.715 8.606 9.433 1.00 0.00 H new ATOM 143 N ARG A 13 6.568 5.183 8.692 1.00 0.00 N ATOM 144 CA ARG A 13 6.018 3.894 9.099 1.00 0.00 C ATOM 145 C ARG A 13 6.287 3.630 10.578 1.00 0.00 C ATOM 146 O ARG A 13 7.418 3.778 11.049 1.00 0.00 O ATOM 147 CB ARG A 13 6.613 2.772 8.244 1.00 0.00 C ATOM 148 CG ARG A 13 5.795 1.490 8.261 1.00 0.00 C ATOM 149 CD ARG A 13 4.392 1.719 7.721 1.00 0.00 C ATOM 150 NE ARG A 13 3.408 1.826 8.796 1.00 0.00 N ATOM 151 CZ ARG A 13 2.219 2.402 8.651 1.00 0.00 C ATOM 152 NH1 ARG A 13 1.375 2.446 9.675 1.00 0.00 N ATOM 153 NH2 ARG A 13 1.873 2.941 7.489 1.00 0.00 N ATOM 0 H ARG A 13 7.576 5.272 8.820 1.00 0.00 H new ATOM 0 HA ARG A 13 4.939 3.920 8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.704 3.121 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.621 2.554 8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.297 0.729 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.736 1.108 9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.377 2.630 7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.119 0.898 7.059 1.00 0.00 H new ATOM 0 HE ARG A 13 3.647 1.437 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.639 2.038 10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.462 2.888 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.521 2.915 6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.959 3.382 7.383 1.00 0.00 H new ATOM 167 N GLY A 14 5.241 3.252 11.308 1.00 0.00 N ATOM 168 CA GLY A 14 5.379 2.972 12.727 1.00 0.00 C ATOM 169 C GLY A 14 5.923 1.582 13.005 1.00 0.00 C ATOM 170 O GLY A 14 5.830 0.693 12.160 1.00 0.00 O ATOM 0 H GLY A 14 4.297 3.134 10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.042 3.712 13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.408 3.080 13.210 1.00 0.00 H new ATOM 174 N ALA A 15 6.496 1.402 14.197 1.00 0.00 N ATOM 175 CA ALA A 15 7.060 0.115 14.608 1.00 0.00 C ATOM 176 C ALA A 15 5.990 -0.974 14.699 1.00 0.00 C ATOM 177 O ALA A 15 6.225 -2.121 14.324 1.00 0.00 O ATOM 178 CB ALA A 15 7.783 0.258 15.940 1.00 0.00 C ATOM 0 H ALA A 15 6.582 2.137 14.899 1.00 0.00 H new ATOM 0 HA ALA A 15 7.774 -0.190 13.843 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.198 -0.706 16.234 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.589 0.985 15.840 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.080 0.598 16.701 1.00 0.00 H new ATOM 184 N LEU A 16 4.820 -0.609 15.212 1.00 0.00 N ATOM 185 CA LEU A 16 3.717 -1.556 15.358 1.00 0.00 C ATOM 186 C LEU A 16 2.776 -1.468 14.163 1.00 0.00 C ATOM 187 O LEU A 16 2.564 -0.386 13.611 1.00 0.00 O ATOM 188 CB LEU A 16 2.947 -1.289 16.654 1.00 0.00 C ATOM 189 CG LEU A 16 3.774 -1.380 17.940 1.00 0.00 C ATOM 190 CD1 LEU A 16 2.923 -1.024 19.148 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.367 -2.774 18.099 1.00 0.00 C ATOM 0 H LEU A 16 4.610 0.336 15.534 1.00 0.00 H new ATOM 0 HA LEU A 16 4.135 -2.562 15.401 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.505 -0.294 16.596 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.124 -2.000 16.721 1.00 0.00 H new ATOM 0 HG LEU A 16 4.593 -0.664 17.871 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.527 -1.094 20.052 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.547 -0.007 19.041 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.083 -1.716 19.218 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.951 -2.818 19.018 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.563 -3.508 18.144 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.012 -2.994 17.248 1.00 0.00 H new ATOM 203 N SER A 17 2.208 -2.603 13.766 1.00 0.00 N ATOM 204 CA SER A 17 1.304 -2.631 12.626 1.00 0.00 C ATOM 205 C SER A 17 -0.093 -2.146 13.010 1.00 0.00 C ATOM 206 O SER A 17 -0.833 -2.837 13.709 1.00 0.00 O ATOM 207 CB SER A 17 1.227 -4.056 12.076 1.00 0.00 C ATOM 208 OG SER A 17 1.051 -4.996 13.124 1.00 0.00 O ATOM 0 H SER A 17 2.357 -3.507 14.214 1.00 0.00 H new ATOM 0 HA SER A 17 1.693 -1.958 11.862 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.400 -4.133 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.139 -4.287 11.525 1.00 0.00 H new ATOM 0 HG SER A 17 0.353 -4.679 13.734 1.00 0.00 H new ATOM 214 N ALA A 18 -0.443 -0.953 12.538 1.00 0.00 N ATOM 215 CA ALA A 18 -1.760 -0.378 12.794 1.00 0.00 C ATOM 216 C ALA A 18 -2.731 -0.721 11.674 1.00 0.00 C ATOM 217 O ALA A 18 -3.940 -0.527 11.791 1.00 0.00 O ATOM 218 CB ALA A 18 -1.657 1.131 12.968 1.00 0.00 C ATOM 0 H ALA A 18 0.170 -0.364 11.974 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.145 -0.809 13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.648 1.544 13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.002 1.356 13.810 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.247 1.575 12.061 1.00 0.00 H new ATOM 224 N HIS A 19 -2.181 -1.242 10.584 1.00 0.00 N ATOM 225 CA HIS A 19 -2.965 -1.593 9.405 1.00 0.00 C ATOM 226 C HIS A 19 -3.161 -3.099 9.262 1.00 0.00 C ATOM 227 O HIS A 19 -3.394 -3.580 8.168 1.00 0.00 O ATOM 228 CB HIS A 19 -2.300 -1.044 8.139 1.00 0.00 C ATOM 229 CG HIS A 19 -2.355 0.449 8.021 1.00 0.00 C ATOM 230 ND1 HIS A 19 -1.488 1.306 8.666 1.00 0.00 N ATOM 231 CD2 HIS A 19 -3.199 1.239 7.308 1.00 0.00 C ATOM 232 CE1 HIS A 19 -1.829 2.560 8.335 1.00 0.00 C ATOM 233 NE2 HIS A 19 -2.860 2.573 7.514 1.00 0.00 N ATOM 0 H HIS A 19 -1.183 -1.433 10.492 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.948 -1.140 9.536 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.257 -1.362 8.122 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.782 -1.485 7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.005 0.888 6.681 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.324 3.445 8.695 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.316 3.392 7.112 1.00 0.00 H new ATOM 240 N THR A 20 -3.028 -3.847 10.352 1.00 0.00 N ATOM 241 CA THR A 20 -3.187 -5.301 10.288 1.00 0.00 C ATOM 242 C THR A 20 -4.664 -5.731 10.329 1.00 0.00 C ATOM 243 O THR A 20 -5.379 -5.456 11.294 1.00 0.00 O ATOM 244 CB THR A 20 -2.402 -6.009 11.418 1.00 0.00 C ATOM 245 OG1 THR A 20 -2.707 -7.409 11.434 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.711 -5.400 12.781 1.00 0.00 C ATOM 0 H THR A 20 -2.814 -3.480 11.279 1.00 0.00 H new ATOM 0 HA THR A 20 -2.774 -5.608 9.327 1.00 0.00 H new ATOM 0 HB THR A 20 -1.340 -5.871 11.217 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.203 -7.845 12.152 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.142 -5.922 13.550 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.436 -4.345 12.779 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.777 -5.496 12.989 1.00 0.00 H new ATOM 254 N LEU A 21 -5.106 -6.407 9.264 1.00 0.00 N ATOM 255 CA LEU A 21 -6.482 -6.904 9.162 1.00 0.00 C ATOM 256 C LEU A 21 -6.562 -8.050 8.149 1.00 0.00 C ATOM 257 O LEU A 21 -5.587 -8.339 7.457 1.00 0.00 O ATOM 258 CB LEU A 21 -7.443 -5.781 8.764 1.00 0.00 C ATOM 259 CG LEU A 21 -8.563 -5.491 9.770 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.375 -4.118 10.395 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.924 -5.590 9.095 1.00 0.00 C ATOM 0 H LEU A 21 -4.525 -6.624 8.454 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.779 -7.277 10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.867 -4.868 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.895 -6.034 7.805 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.517 -6.238 10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.179 -3.929 11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.416 -4.082 10.913 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.395 -3.357 9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.707 -5.381 9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.981 -4.865 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.059 -6.595 8.695 1.00 0.00 H new ATOM 273 N LEU A 22 -7.726 -8.706 8.078 1.00 0.00 N ATOM 274 CA LEU A 22 -7.930 -9.841 7.166 1.00 0.00 C ATOM 275 C LEU A 22 -7.809 -9.463 5.681 1.00 0.00 C ATOM 276 O LEU A 22 -7.085 -10.117 4.931 1.00 0.00 O ATOM 277 CB LEU A 22 -9.306 -10.470 7.424 1.00 0.00 C ATOM 278 CG LEU A 22 -9.672 -11.651 6.517 1.00 0.00 C ATOM 279 CD1 LEU A 22 -8.699 -12.804 6.716 1.00 0.00 C ATOM 280 CD2 LEU A 22 -11.100 -12.101 6.779 1.00 0.00 C ATOM 0 H LEU A 22 -8.543 -8.471 8.642 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.133 -10.555 7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.345 -10.805 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.066 -9.697 7.310 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.601 -11.322 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.977 -13.631 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.689 -12.474 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.733 -13.134 7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.343 -12.940 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.199 -12.410 7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.784 -11.276 6.579 1.00 0.00 H new ATOM 292 N PHE A 23 -8.513 -8.413 5.253 1.00 0.00 N ATOM 293 CA PHE A 23 -8.468 -7.992 3.849 1.00 0.00 C ATOM 294 C PHE A 23 -7.377 -6.954 3.628 1.00 0.00 C ATOM 295 O PHE A 23 -6.726 -6.918 2.582 1.00 0.00 O ATOM 296 CB PHE A 23 -9.824 -7.432 3.410 1.00 0.00 C ATOM 297 CG PHE A 23 -10.938 -8.438 3.473 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.838 -8.434 4.526 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.083 -9.392 2.477 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.861 -9.361 4.587 1.00 0.00 C ATOM 301 CE2 PHE A 23 -12.105 -10.320 2.530 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.994 -10.306 3.587 1.00 0.00 C ATOM 0 H PHE A 23 -9.114 -7.844 5.849 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.238 -8.869 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.078 -6.581 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.740 -7.058 2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.739 -7.697 5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.389 -9.410 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.555 -9.347 5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.209 -11.055 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.792 -11.032 3.632 1.00 0.00 H new ATOM 312 N ASP A 24 -7.193 -6.110 4.625 1.00 0.00 N ATOM 313 CA ASP A 24 -6.174 -5.074 4.595 1.00 0.00 C ATOM 314 C ASP A 24 -5.013 -5.496 5.471 1.00 0.00 C ATOM 315 O ASP A 24 -4.852 -4.992 6.575 1.00 0.00 O ATOM 316 CB ASP A 24 -6.698 -3.684 5.000 1.00 0.00 C ATOM 317 CG ASP A 24 -7.685 -3.692 6.152 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.706 -4.412 6.064 1.00 0.00 O ATOM 319 OD2 ASP A 24 -7.448 -2.962 7.137 1.00 0.00 O ATOM 0 H ASP A 24 -7.747 -6.122 5.482 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.845 -4.968 3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.850 -3.055 5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.174 -3.223 4.134 1.00 0.00 H new ATOM 324 N LEU A 25 -4.273 -6.496 4.994 1.00 0.00 N ATOM 325 CA LEU A 25 -3.115 -7.053 5.697 1.00 0.00 C ATOM 326 C LEU A 25 -2.175 -5.950 6.207 1.00 0.00 C ATOM 327 O LEU A 25 -2.181 -4.837 5.677 1.00 0.00 O ATOM 328 CB LEU A 25 -2.349 -7.990 4.750 1.00 0.00 C ATOM 329 CG LEU A 25 -3.133 -9.221 4.290 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.367 -9.979 3.216 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.447 -10.133 5.468 1.00 0.00 C ATOM 0 H LEU A 25 -4.461 -6.948 4.099 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.477 -7.607 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.042 -7.423 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.439 -8.322 5.249 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.075 -8.880 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.943 -10.850 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.202 -9.327 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.406 -10.304 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.005 -11.001 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.517 -10.462 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.045 -9.589 6.200 1.00 0.00 H new ATOM 343 N PRO A 26 -1.370 -6.263 7.258 1.00 0.00 N ATOM 344 CA PRO A 26 -0.410 -5.337 7.899 1.00 0.00 C ATOM 345 C PRO A 26 0.348 -4.422 6.925 1.00 0.00 C ATOM 346 O PRO A 26 0.373 -4.664 5.716 1.00 0.00 O ATOM 347 CB PRO A 26 0.582 -6.287 8.605 1.00 0.00 C ATOM 348 CG PRO A 26 0.103 -7.680 8.335 1.00 0.00 C ATOM 349 CD PRO A 26 -1.336 -7.566 7.930 1.00 0.00 C ATOM 0 HA PRO A 26 -0.934 -4.642 8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.593 -6.144 8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.613 -6.088 9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.692 -8.146 7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.208 -8.305 9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.636 -8.375 7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.004 -7.597 8.791 1.00 0.00 H new ATOM 357 N PRO A 27 1.011 -3.365 7.465 1.00 0.00 N ATOM 358 CA PRO A 27 1.770 -2.374 6.683 1.00 0.00 C ATOM 359 C PRO A 27 2.735 -2.955 5.652 1.00 0.00 C ATOM 360 O PRO A 27 3.290 -2.213 4.866 1.00 0.00 O ATOM 361 CB PRO A 27 2.564 -1.610 7.732 1.00 0.00 C ATOM 362 CG PRO A 27 1.733 -1.690 8.953 1.00 0.00 C ATOM 363 CD PRO A 27 1.046 -3.031 8.905 1.00 0.00 C ATOM 0 HA PRO A 27 1.077 -1.776 6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.546 -2.056 7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.728 -0.576 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.347 -1.599 9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.004 -0.880 8.982 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.594 -3.781 9.475 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.042 -2.980 9.327 1.00 0.00 H new ATOM 371 N ALA A 28 2.946 -4.261 5.662 1.00 0.00 N ATOM 372 CA ALA A 28 3.845 -4.885 4.707 1.00 0.00 C ATOM 373 C ALA A 28 3.431 -4.536 3.276 1.00 0.00 C ATOM 374 O ALA A 28 4.283 -4.343 2.412 1.00 0.00 O ATOM 375 CB ALA A 28 3.863 -6.394 4.902 1.00 0.00 C ATOM 0 H ALA A 28 2.508 -4.907 6.319 1.00 0.00 H new ATOM 0 HA ALA A 28 4.851 -4.502 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.541 -6.846 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.202 -6.626 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.859 -6.792 4.756 1.00 0.00 H new ATOM 381 N LEU A 29 2.123 -4.447 3.026 1.00 0.00 N ATOM 382 CA LEU A 29 1.651 -4.099 1.688 1.00 0.00 C ATOM 383 C LEU A 29 1.077 -2.676 1.617 1.00 0.00 C ATOM 384 O LEU A 29 1.752 -1.760 1.160 1.00 0.00 O ATOM 385 CB LEU A 29 0.610 -5.106 1.200 1.00 0.00 C ATOM 386 CG LEU A 29 0.728 -5.457 -0.280 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.125 -5.974 -0.581 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.318 -6.484 -0.677 1.00 0.00 C ATOM 0 H LEU A 29 1.388 -4.607 3.715 1.00 0.00 H new ATOM 0 HA LEU A 29 2.522 -4.134 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.701 -6.020 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.385 -4.704 1.389 1.00 0.00 H new ATOM 0 HG LEU A 29 0.552 -4.555 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.201 -6.222 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.858 -5.206 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.319 -6.865 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.214 -6.718 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.179 -7.391 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.313 -6.080 -0.491 1.00 0.00 H new ATOM 400 N LEU A 30 -0.156 -2.492 2.095 1.00 0.00 N ATOM 401 CA LEU A 30 -0.825 -1.185 2.046 1.00 0.00 C ATOM 402 C LEU A 30 -0.065 -0.094 2.800 1.00 0.00 C ATOM 403 O LEU A 30 0.226 0.955 2.233 1.00 0.00 O ATOM 404 CB LEU A 30 -2.251 -1.295 2.613 1.00 0.00 C ATOM 405 CG LEU A 30 -3.364 -0.707 1.736 1.00 0.00 C ATOM 406 CD1 LEU A 30 -4.717 -0.874 2.412 1.00 0.00 C ATOM 407 CD2 LEU A 30 -3.103 0.762 1.433 1.00 0.00 C ATOM 0 H LEU A 30 -0.714 -3.232 2.522 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.855 -0.895 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.471 -2.348 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.276 -0.797 3.582 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.373 -1.252 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.496 -0.452 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.915 -1.934 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.711 -0.356 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.907 1.153 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.060 1.324 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.154 0.862 0.906 1.00 0.00 H new ATOM 419 N GLY A 31 0.275 -0.347 4.062 1.00 0.00 N ATOM 420 CA GLY A 31 0.955 0.663 4.867 1.00 0.00 C ATOM 421 C GLY A 31 2.294 1.125 4.309 1.00 0.00 C ATOM 422 O GLY A 31 2.540 2.326 4.206 1.00 0.00 O ATOM 0 H GLY A 31 0.094 -1.228 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.301 1.529 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.112 0.264 5.869 1.00 0.00 H new ATOM 426 N GLU A 32 3.157 0.183 3.954 1.00 0.00 N ATOM 427 CA GLU A 32 4.477 0.508 3.422 1.00 0.00 C ATOM 428 C GLU A 32 4.416 1.094 2.017 1.00 0.00 C ATOM 429 O GLU A 32 5.091 2.080 1.729 1.00 0.00 O ATOM 430 CB GLU A 32 5.364 -0.742 3.439 1.00 0.00 C ATOM 431 CG GLU A 32 6.831 -0.473 3.125 1.00 0.00 C ATOM 432 CD GLU A 32 7.153 -0.558 1.646 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.451 -1.298 0.928 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.107 0.115 1.209 1.00 0.00 O ATOM 0 H GLU A 32 2.967 -0.817 4.025 1.00 0.00 H new ATOM 0 HA GLU A 32 4.907 1.276 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.294 -1.210 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.975 -1.459 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.098 0.518 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.449 -1.190 3.666 1.00 0.00 H new ATOM 441 N LEU A 33 3.606 0.502 1.146 1.00 0.00 N ATOM 442 CA LEU A 33 3.517 0.978 -0.232 1.00 0.00 C ATOM 443 C LEU A 33 2.861 2.355 -0.328 1.00 0.00 C ATOM 444 O LEU A 33 3.285 3.185 -1.128 1.00 0.00 O ATOM 445 CB LEU A 33 2.794 -0.034 -1.130 1.00 0.00 C ATOM 446 CG LEU A 33 3.521 -1.373 -1.302 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.693 -2.334 -2.137 1.00 0.00 C ATOM 448 CD2 LEU A 33 4.892 -1.163 -1.924 1.00 0.00 C ATOM 0 H LEU A 33 3.009 -0.296 1.363 1.00 0.00 H new ATOM 0 HA LEU A 33 4.541 1.081 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.804 -0.224 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.647 0.413 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 33 3.658 -1.814 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.229 -3.277 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.738 -2.514 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.517 -1.902 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.391 -2.125 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.780 -0.695 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.489 -0.518 -1.279 1.00 0.00 H new ATOM 460 N CYS A 34 1.831 2.609 0.476 1.00 0.00 N ATOM 461 CA CYS A 34 1.161 3.907 0.425 1.00 0.00 C ATOM 462 C CYS A 34 2.003 5.010 1.073 1.00 0.00 C ATOM 463 O CYS A 34 1.948 6.164 0.652 1.00 0.00 O ATOM 464 CB CYS A 34 -0.221 3.850 1.088 1.00 0.00 C ATOM 465 SG CYS A 34 -0.184 3.767 2.895 1.00 0.00 S ATOM 0 H CYS A 34 1.449 1.951 1.155 1.00 0.00 H new ATOM 0 HA CYS A 34 1.034 4.150 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.790 4.730 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.757 2.980 0.708 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.039 2.531 3.270 1.00 0.00 H new ATOM 471 N ALA A 35 2.783 4.656 2.096 1.00 0.00 N ATOM 472 CA ALA A 35 3.609 5.637 2.803 1.00 0.00 C ATOM 473 C ALA A 35 4.973 5.871 2.148 1.00 0.00 C ATOM 474 O ALA A 35 5.328 7.007 1.835 1.00 0.00 O ATOM 475 CB ALA A 35 3.795 5.218 4.253 1.00 0.00 C ATOM 0 H ALA A 35 2.860 3.703 2.452 1.00 0.00 H new ATOM 0 HA ALA A 35 3.072 6.584 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.411 5.955 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.822 5.153 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.285 4.245 4.291 1.00 0.00 H new ATOM 481 N VAL A 36 5.736 4.796 1.953 1.00 0.00 N ATOM 482 CA VAL A 36 7.079 4.896 1.378 1.00 0.00 C ATOM 483 C VAL A 36 7.070 5.404 -0.069 1.00 0.00 C ATOM 484 O VAL A 36 7.859 6.285 -0.422 1.00 0.00 O ATOM 485 CB VAL A 36 7.831 3.544 1.468 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.139 3.588 0.688 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.093 3.182 2.922 1.00 0.00 C ATOM 0 H VAL A 36 5.448 3.845 2.184 1.00 0.00 H new ATOM 0 HA VAL A 36 7.610 5.636 1.976 1.00 0.00 H new ATOM 0 HB VAL A 36 7.199 2.776 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.644 2.625 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.930 3.800 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.780 4.370 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.622 2.230 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.701 3.959 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.145 3.098 3.453 1.00 0.00 H new ATOM 497 N LEU A 37 6.176 4.872 -0.901 1.00 0.00 N ATOM 498 CA LEU A 37 6.109 5.295 -2.302 1.00 0.00 C ATOM 499 C LEU A 37 5.511 6.695 -2.421 1.00 0.00 C ATOM 500 O LEU A 37 5.664 7.355 -3.444 1.00 0.00 O ATOM 501 CB LEU A 37 5.287 4.322 -3.151 1.00 0.00 C ATOM 502 CG LEU A 37 5.789 2.880 -3.201 1.00 0.00 C ATOM 503 CD1 LEU A 37 4.858 2.039 -4.053 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.207 2.822 -3.745 1.00 0.00 C ATOM 0 H LEU A 37 5.497 4.158 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 37 7.132 5.304 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.265 4.316 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.247 4.706 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 37 5.800 2.479 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.222 1.012 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.856 2.056 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.826 2.444 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.544 1.786 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.227 3.236 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.868 3.402 -3.101 1.00 0.00 H new ATOM 516 N ASP A 38 4.809 7.134 -1.386 1.00 0.00 N ATOM 517 CA ASP A 38 4.189 8.459 -1.378 1.00 0.00 C ATOM 518 C ASP A 38 5.239 9.560 -1.527 1.00 0.00 C ATOM 519 O ASP A 38 4.996 10.586 -2.163 1.00 0.00 O ATOM 520 CB ASP A 38 3.396 8.668 -0.087 1.00 0.00 C ATOM 521 CG ASP A 38 2.506 9.891 -0.136 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.158 10.330 -1.250 1.00 0.00 O ATOM 523 OD2 ASP A 38 2.149 10.409 0.944 1.00 0.00 O ATOM 0 H ASP A 38 4.652 6.592 -0.536 1.00 0.00 H new ATOM 0 HA ASP A 38 3.510 8.515 -2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.784 7.787 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.090 8.762 0.749 1.00 0.00 H new ATOM 528 N SER A 39 6.402 9.341 -0.927 1.00 0.00 N ATOM 529 CA SER A 39 7.496 10.309 -0.983 1.00 0.00 C ATOM 530 C SER A 39 8.346 10.110 -2.238 1.00 0.00 C ATOM 531 O SER A 39 9.385 10.749 -2.404 1.00 0.00 O ATOM 532 CB SER A 39 8.371 10.188 0.265 1.00 0.00 C ATOM 533 OG SER A 39 7.619 10.446 1.439 1.00 0.00 O ATOM 0 H SER A 39 6.615 8.498 -0.393 1.00 0.00 H new ATOM 0 HA SER A 39 7.061 11.308 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.801 9.188 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.203 10.889 0.200 1.00 0.00 H new ATOM 0 HG SER A 39 6.778 10.888 1.198 1.00 0.00 H new ATOM 539 N CYS A 40 7.901 9.205 -3.107 1.00 0.00 N ATOM 540 CA CYS A 40 8.608 8.903 -4.346 1.00 0.00 C ATOM 541 C CYS A 40 8.625 10.095 -5.297 1.00 0.00 C ATOM 542 O CYS A 40 7.650 10.834 -5.415 1.00 0.00 O ATOM 543 CB CYS A 40 7.980 7.702 -5.047 1.00 0.00 C ATOM 544 SG CYS A 40 8.787 7.258 -6.595 1.00 0.00 S ATOM 0 H CYS A 40 7.046 8.665 -2.972 1.00 0.00 H new ATOM 0 HA CYS A 40 9.637 8.669 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.009 6.845 -4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.930 7.917 -5.244 1.00 0.00 H new ATOM 0 HG CYS A 40 9.961 7.814 -6.648 1.00 0.00 H new ATOM 550 N ASP A 41 9.749 10.260 -5.977 1.00 0.00 N ATOM 551 CA ASP A 41 9.928 11.347 -6.928 1.00 0.00 C ATOM 552 C ASP A 41 10.473 10.794 -8.239 1.00 0.00 C ATOM 553 O ASP A 41 11.350 11.383 -8.870 1.00 0.00 O ATOM 554 CB ASP A 41 10.876 12.408 -6.361 1.00 0.00 C ATOM 555 CG ASP A 41 10.706 13.755 -7.037 1.00 0.00 C ATOM 556 OD1 ASP A 41 9.661 13.966 -7.691 1.00 0.00 O ATOM 557 OD2 ASP A 41 11.616 14.600 -6.910 1.00 0.00 O ATOM 0 H ASP A 41 10.560 9.648 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 41 8.963 11.819 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.698 12.516 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.906 12.072 -6.480 1.00 0.00 H new ATOM 562 N GLY A 42 9.946 9.636 -8.630 1.00 0.00 N ATOM 563 CA GLY A 42 10.370 8.990 -9.859 1.00 0.00 C ATOM 564 C GLY A 42 11.434 7.929 -9.636 1.00 0.00 C ATOM 565 O GLY A 42 11.688 7.113 -10.518 1.00 0.00 O ATOM 0 H GLY A 42 9.227 9.131 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.505 8.534 -10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.755 9.744 -10.545 1.00 0.00 H new ATOM 569 N ALA A 43 12.061 7.940 -8.458 1.00 0.00 N ATOM 570 CA ALA A 43 13.101 6.963 -8.131 1.00 0.00 C ATOM 571 C ALA A 43 12.547 5.537 -8.091 1.00 0.00 C ATOM 572 O ALA A 43 13.173 4.605 -8.595 1.00 0.00 O ATOM 573 CB ALA A 43 13.756 7.313 -6.803 1.00 0.00 C ATOM 0 H ALA A 43 11.867 8.613 -7.716 1.00 0.00 H new ATOM 0 HA ALA A 43 13.851 7.003 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.527 6.578 -6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.207 8.303 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.004 7.309 -6.014 1.00 0.00 H new ATOM 579 N LEU A 44 11.375 5.375 -7.482 1.00 0.00 N ATOM 580 CA LEU A 44 10.730 4.063 -7.393 1.00 0.00 C ATOM 581 C LEU A 44 9.513 4.018 -8.307 1.00 0.00 C ATOM 582 O LEU A 44 9.073 2.949 -8.730 1.00 0.00 O ATOM 583 CB LEU A 44 10.293 3.735 -5.948 1.00 0.00 C ATOM 584 CG LEU A 44 11.394 3.779 -4.868 1.00 0.00 C ATOM 585 CD1 LEU A 44 12.728 3.287 -5.415 1.00 0.00 C ATOM 586 CD2 LEU A 44 11.532 5.183 -4.291 1.00 0.00 C ATOM 0 H LEU A 44 10.852 6.133 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 44 11.461 3.318 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.507 4.434 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.850 2.739 -5.943 1.00 0.00 H new ATOM 0 HG LEU A 44 11.096 3.106 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.482 3.331 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.623 2.258 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.035 3.919 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.314 5.189 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.794 5.880 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.587 5.486 -3.841 1.00 0.00 H new ATOM 598 N GLY A 45 8.985 5.198 -8.611 1.00 0.00 N ATOM 599 CA GLY A 45 7.813 5.309 -9.450 1.00 0.00 C ATOM 600 C GLY A 45 6.538 4.965 -8.704 1.00 0.00 C ATOM 601 O GLY A 45 6.306 3.799 -8.391 1.00 0.00 O ATOM 0 H GLY A 45 9.356 6.090 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.742 6.325 -9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.919 4.646 -10.309 1.00 0.00 H new ATOM 605 N TRP A 46 5.716 5.974 -8.396 1.00 0.00 N ATOM 606 CA TRP A 46 4.442 5.734 -7.702 1.00 0.00 C ATOM 607 C TRP A 46 3.623 4.671 -8.445 1.00 0.00 C ATOM 608 O TRP A 46 3.103 3.733 -7.838 1.00 0.00 O ATOM 609 CB TRP A 46 3.632 7.036 -7.575 1.00 0.00 C ATOM 610 CG TRP A 46 3.774 7.968 -8.745 1.00 0.00 C ATOM 611 CD1 TRP A 46 3.068 7.938 -9.915 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.667 9.083 -8.845 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.483 8.954 -10.742 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.461 9.671 -10.107 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.625 9.635 -7.992 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.179 10.787 -10.532 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.335 10.742 -8.415 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.108 11.307 -9.675 1.00 0.00 C ATOM 0 H TRP A 46 5.904 6.953 -8.612 1.00 0.00 H new ATOM 0 HA TRP A 46 4.665 5.371 -6.699 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.579 6.784 -7.451 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.944 7.557 -6.670 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.297 7.221 -10.154 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.121 9.143 -11.677 1.00 0.00 H new ATOM 0 HE3 TRP A 46 5.808 9.204 -7.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.008 11.225 -11.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.077 11.178 -7.763 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.679 12.173 -9.977 1.00 0.00 H new ATOM 629 N ARG A 47 3.499 4.842 -9.761 1.00 0.00 N ATOM 630 CA ARG A 47 2.786 3.889 -10.608 1.00 0.00 C ATOM 631 C ARG A 47 3.685 2.724 -11.025 1.00 0.00 C ATOM 632 O ARG A 47 3.243 1.837 -11.730 1.00 0.00 O ATOM 633 CB ARG A 47 2.214 4.564 -11.861 1.00 0.00 C ATOM 634 CG ARG A 47 3.267 5.197 -12.758 1.00 0.00 C ATOM 635 CD ARG A 47 2.641 5.889 -13.959 1.00 0.00 C ATOM 636 NE ARG A 47 1.811 7.027 -13.566 1.00 0.00 N ATOM 637 CZ ARG A 47 1.070 7.728 -14.421 1.00 0.00 C ATOM 638 NH1 ARG A 47 0.323 8.732 -13.983 1.00 0.00 N ATOM 639 NH2 ARG A 47 1.083 7.426 -15.712 1.00 0.00 N ATOM 0 H ARG A 47 3.887 5.639 -10.266 1.00 0.00 H new ATOM 0 HA ARG A 47 1.961 3.501 -10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.657 3.825 -12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.503 5.331 -11.555 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.848 5.919 -12.184 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.961 4.430 -13.101 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.428 6.230 -14.632 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.035 5.173 -14.514 1.00 0.00 H new ATOM 0 HE ARG A 47 1.799 7.298 -12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.316 8.967 -12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.245 9.269 -14.638 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.661 6.656 -16.050 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.515 7.963 -16.367 1.00 0.00 H new ATOM 653 N GLY A 48 4.939 2.727 -10.585 1.00 0.00 N ATOM 654 CA GLY A 48 5.871 1.678 -10.982 1.00 0.00 C ATOM 655 C GLY A 48 5.407 0.286 -10.607 1.00 0.00 C ATOM 656 O GLY A 48 5.541 -0.647 -11.399 1.00 0.00 O ATOM 0 H GLY A 48 5.330 3.434 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.020 1.725 -12.061 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.839 1.868 -10.518 1.00 0.00 H new ATOM 660 N LEU A 49 4.860 0.136 -9.412 1.00 0.00 N ATOM 661 CA LEU A 49 4.375 -1.163 -8.970 1.00 0.00 C ATOM 662 C LEU A 49 2.955 -1.426 -9.479 1.00 0.00 C ATOM 663 O LEU A 49 2.641 -2.525 -9.938 1.00 0.00 O ATOM 664 CB LEU A 49 4.417 -1.248 -7.442 1.00 0.00 C ATOM 665 CG LEU A 49 5.811 -1.092 -6.822 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.723 -1.104 -5.307 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.736 -2.198 -7.303 1.00 0.00 C ATOM 0 H LEU A 49 4.741 0.890 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 49 5.028 -1.930 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.765 -0.476 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.005 -2.209 -7.135 1.00 0.00 H new ATOM 0 HG LEU A 49 6.221 -0.133 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.721 -0.992 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.093 -0.280 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.292 -2.048 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.720 -2.071 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.327 -3.166 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.825 -2.152 -8.388 1.00 0.00 H new ATOM 679 N ALA A 50 2.105 -0.405 -9.397 1.00 0.00 N ATOM 680 CA ALA A 50 0.712 -0.517 -9.833 1.00 0.00 C ATOM 681 C ALA A 50 0.558 -0.749 -11.338 1.00 0.00 C ATOM 682 O ALA A 50 -0.278 -1.547 -11.759 1.00 0.00 O ATOM 683 CB ALA A 50 -0.055 0.725 -9.434 1.00 0.00 C ATOM 0 H ALA A 50 2.356 0.513 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 50 0.306 -1.397 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.091 0.634 -9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.026 0.838 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.398 1.599 -9.902 1.00 0.00 H new ATOM 689 N GLU A 51 1.367 -0.052 -12.136 1.00 0.00 N ATOM 690 CA GLU A 51 1.295 -0.149 -13.595 1.00 0.00 C ATOM 691 C GLU A 51 1.567 -1.580 -14.072 1.00 0.00 C ATOM 692 O GLU A 51 0.881 -2.082 -14.963 1.00 0.00 O ATOM 693 CB GLU A 51 2.293 0.822 -14.245 1.00 0.00 C ATOM 694 CG GLU A 51 2.271 0.815 -15.771 1.00 0.00 C ATOM 695 CD GLU A 51 0.963 1.325 -16.349 1.00 0.00 C ATOM 696 OE1 GLU A 51 0.215 2.012 -15.620 1.00 0.00 O ATOM 697 OE2 GLU A 51 0.689 1.042 -17.532 1.00 0.00 O ATOM 0 H GLU A 51 2.083 0.589 -11.795 1.00 0.00 H new ATOM 0 HA GLU A 51 0.284 0.123 -13.898 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.080 1.832 -13.895 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.298 0.572 -13.906 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.090 1.430 -16.143 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.447 -0.200 -16.127 1.00 0.00 H new ATOM 704 N ARG A 52 2.583 -2.220 -13.491 1.00 0.00 N ATOM 705 CA ARG A 52 2.926 -3.594 -13.851 1.00 0.00 C ATOM 706 C ARG A 52 1.816 -4.569 -13.467 1.00 0.00 C ATOM 707 O ARG A 52 1.528 -5.509 -14.207 1.00 0.00 O ATOM 708 CB ARG A 52 4.249 -4.023 -13.204 1.00 0.00 C ATOM 709 CG ARG A 52 5.472 -3.390 -13.845 1.00 0.00 C ATOM 710 CD ARG A 52 6.745 -3.708 -13.081 1.00 0.00 C ATOM 711 NE ARG A 52 7.934 -3.268 -13.809 1.00 0.00 N ATOM 712 CZ ARG A 52 8.374 -2.011 -13.832 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.470 -1.706 -14.514 1.00 0.00 N ATOM 714 NH2 ARG A 52 7.716 -1.060 -13.180 1.00 0.00 N ATOM 0 H ARG A 52 3.180 -1.810 -12.772 1.00 0.00 H new ATOM 0 HA ARG A 52 3.043 -3.620 -14.934 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.228 -3.762 -12.146 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.338 -5.108 -13.264 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.567 -3.744 -14.871 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.338 -2.309 -13.892 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.715 -3.223 -12.105 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.804 -4.782 -12.902 1.00 0.00 H new ATOM 0 HE ARG A 52 8.460 -3.968 -14.332 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.975 -2.434 -15.020 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.808 -0.744 -14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.870 -1.291 -12.659 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.056 -0.099 -13.200 1.00 0.00 H new ATOM 728 N LEU A 53 1.205 -4.350 -12.305 1.00 0.00 N ATOM 729 CA LEU A 53 0.128 -5.218 -11.840 1.00 0.00 C ATOM 730 C LEU A 53 -1.126 -5.044 -12.700 1.00 0.00 C ATOM 731 O LEU A 53 -1.760 -6.022 -13.093 1.00 0.00 O ATOM 732 CB LEU A 53 -0.194 -4.937 -10.367 1.00 0.00 C ATOM 733 CG LEU A 53 -0.931 -6.063 -9.637 1.00 0.00 C ATOM 734 CD1 LEU A 53 -0.304 -6.316 -8.277 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.409 -5.731 -9.487 1.00 0.00 C ATOM 0 H LEU A 53 1.436 -3.584 -11.672 1.00 0.00 H new ATOM 0 HA LEU A 53 0.465 -6.250 -11.932 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.738 -4.732 -9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.798 -4.031 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.842 -6.971 -10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.841 -7.119 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.740 -6.602 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.361 -5.409 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.914 -6.544 -8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.519 -4.810 -8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.855 -5.601 -10.473 1.00 0.00 H new ATOM 747 N SER A 54 -1.488 -3.794 -12.976 1.00 0.00 N ATOM 748 CA SER A 54 -2.657 -3.504 -13.797 1.00 0.00 C ATOM 749 C SER A 54 -2.405 -2.301 -14.703 1.00 0.00 C ATOM 750 O SER A 54 -1.928 -1.262 -14.248 1.00 0.00 O ATOM 751 CB SER A 54 -3.879 -3.242 -12.912 1.00 0.00 C ATOM 752 OG SER A 54 -4.205 -4.387 -12.143 1.00 0.00 O ATOM 0 H SER A 54 -0.989 -2.969 -12.644 1.00 0.00 H new ATOM 0 HA SER A 54 -2.851 -4.374 -14.424 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.679 -2.400 -12.250 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.730 -2.963 -13.534 1.00 0.00 H new ATOM 0 HG SER A 54 -4.987 -4.194 -11.585 1.00 0.00 H new ATOM 758 N SER A 55 -2.742 -2.437 -15.979 1.00 0.00 N ATOM 759 CA SER A 55 -2.553 -1.350 -16.930 1.00 0.00 C ATOM 760 C SER A 55 -3.903 -0.860 -17.444 1.00 0.00 C ATOM 761 O SER A 55 -4.685 -1.636 -17.994 1.00 0.00 O ATOM 762 CB SER A 55 -1.681 -1.813 -18.099 1.00 0.00 C ATOM 763 OG SER A 55 -0.402 -2.233 -17.649 1.00 0.00 O ATOM 0 H SER A 55 -3.146 -3.285 -16.378 1.00 0.00 H new ATOM 0 HA SER A 55 -2.050 -0.527 -16.423 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.173 -2.633 -18.621 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.568 -1.000 -18.817 1.00 0.00 H new ATOM 0 HG SER A 55 -0.301 -2.013 -16.699 1.00 0.00 H new ATOM 769 N SER A 56 -4.178 0.425 -17.258 1.00 0.00 N ATOM 770 CA SER A 56 -5.436 1.006 -17.706 1.00 0.00 C ATOM 771 C SER A 56 -5.209 2.360 -18.373 1.00 0.00 C ATOM 772 O SER A 56 -4.286 3.089 -18.012 1.00 0.00 O ATOM 773 CB SER A 56 -6.399 1.154 -16.526 1.00 0.00 C ATOM 774 OG SER A 56 -6.687 -0.109 -15.945 1.00 0.00 O ATOM 0 H SER A 56 -3.547 1.083 -16.801 1.00 0.00 H new ATOM 0 HA SER A 56 -5.876 0.334 -18.443 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.962 1.813 -15.775 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.323 1.623 -16.863 1.00 0.00 H new ATOM 0 HG SER A 56 -7.303 0.010 -15.192 1.00 0.00 H new ATOM 780 N TRP A 57 -6.056 2.689 -19.340 1.00 0.00 N ATOM 781 CA TRP A 57 -5.947 3.954 -20.058 1.00 0.00 C ATOM 782 C TRP A 57 -6.870 5.003 -19.439 1.00 0.00 C ATOM 783 O TRP A 57 -7.981 4.679 -19.017 1.00 0.00 O ATOM 784 CB TRP A 57 -6.278 3.752 -21.541 1.00 0.00 C ATOM 785 CG TRP A 57 -6.000 4.958 -22.389 1.00 0.00 C ATOM 786 CD1 TRP A 57 -6.919 5.753 -23.012 1.00 0.00 C ATOM 787 CD2 TRP A 57 -4.715 5.507 -22.704 1.00 0.00 C ATOM 788 NE1 TRP A 57 -6.284 6.762 -23.695 1.00 0.00 N ATOM 789 CE2 TRP A 57 -4.930 6.632 -23.521 1.00 0.00 C ATOM 790 CE3 TRP A 57 -3.402 5.156 -22.373 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -3.882 7.409 -24.012 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -2.363 5.926 -22.861 1.00 0.00 C ATOM 793 CH2 TRP A 57 -2.609 7.042 -23.672 1.00 0.00 C ATOM 0 H TRP A 57 -6.828 2.097 -19.646 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.921 4.313 -19.977 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -5.701 2.910 -21.922 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -7.331 3.486 -21.637 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -7.989 5.610 -22.973 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -6.745 7.489 -24.242 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.204 4.298 -21.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -4.068 8.269 -24.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -1.345 5.663 -22.613 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.776 7.625 -24.036 1.00 0.00 H new ATOM 804 N LEU A 58 -6.371 6.245 -19.351 1.00 0.00 N ATOM 805 CA LEU A 58 -7.115 7.390 -18.785 1.00 0.00 C ATOM 806 C LEU A 58 -7.175 7.347 -17.256 1.00 0.00 C ATOM 807 O LEU A 58 -7.216 8.389 -16.604 1.00 0.00 O ATOM 808 CB LEU A 58 -8.533 7.480 -19.363 1.00 0.00 C ATOM 809 CG LEU A 58 -8.614 7.920 -20.828 1.00 0.00 C ATOM 810 CD1 LEU A 58 -10.028 7.744 -21.360 1.00 0.00 C ATOM 811 CD2 LEU A 58 -8.165 9.367 -20.974 1.00 0.00 C ATOM 0 H LEU A 58 -5.434 6.489 -19.672 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.562 8.284 -19.072 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.010 6.505 -19.266 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.111 8.179 -18.758 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.945 7.290 -21.415 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.067 8.062 -22.402 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.315 6.695 -21.289 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.717 8.349 -20.770 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.229 9.664 -22.021 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.809 10.010 -20.375 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.135 9.465 -20.631 1.00 0.00 H new ATOM 823 N ASP A 59 -7.161 6.143 -16.691 1.00 0.00 N ATOM 824 CA ASP A 59 -7.205 5.966 -15.236 1.00 0.00 C ATOM 825 C ASP A 59 -5.935 6.496 -14.576 1.00 0.00 C ATOM 826 O ASP A 59 -5.925 6.795 -13.383 1.00 0.00 O ATOM 827 CB ASP A 59 -7.409 4.494 -14.870 1.00 0.00 C ATOM 828 CG ASP A 59 -8.815 4.007 -15.162 1.00 0.00 C ATOM 829 OD1 ASP A 59 -9.703 4.854 -15.395 1.00 0.00 O ATOM 830 OD2 ASP A 59 -9.027 2.777 -15.162 1.00 0.00 O ATOM 0 H ASP A 59 -7.119 5.270 -17.218 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.053 6.540 -14.863 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.695 3.884 -15.424 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.193 4.354 -13.811 1.00 0.00 H new ATOM 835 N VAL A 60 -4.867 6.605 -15.366 1.00 0.00 N ATOM 836 CA VAL A 60 -3.583 7.101 -14.878 1.00 0.00 C ATOM 837 C VAL A 60 -3.679 8.553 -14.401 1.00 0.00 C ATOM 838 O VAL A 60 -2.828 9.023 -13.643 1.00 0.00 O ATOM 839 CB VAL A 60 -2.485 6.988 -15.961 1.00 0.00 C ATOM 840 CG1 VAL A 60 -2.188 5.526 -16.267 1.00 0.00 C ATOM 841 CG2 VAL A 60 -2.893 7.726 -17.230 1.00 0.00 C ATOM 0 H VAL A 60 -4.868 6.354 -16.355 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.311 6.473 -14.030 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.579 7.454 -15.575 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.413 5.464 -17.031 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.844 5.027 -15.361 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.094 5.039 -16.628 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.104 7.631 -17.976 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.815 7.296 -17.621 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.053 8.780 -17.003 1.00 0.00 H new ATOM 851 N ASP A 61 -4.713 9.261 -14.860 1.00 0.00 N ATOM 852 CA ASP A 61 -4.931 10.653 -14.468 1.00 0.00 C ATOM 853 C ASP A 61 -5.187 10.755 -12.964 1.00 0.00 C ATOM 854 O ASP A 61 -4.681 11.659 -12.300 1.00 0.00 O ATOM 855 CB ASP A 61 -6.109 11.246 -15.247 1.00 0.00 C ATOM 856 CG ASP A 61 -6.253 12.739 -15.038 1.00 0.00 C ATOM 857 OD1 ASP A 61 -5.297 13.477 -15.351 1.00 0.00 O ATOM 858 OD2 ASP A 61 -7.329 13.170 -14.579 1.00 0.00 O ATOM 0 H ASP A 61 -5.413 8.892 -15.504 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.032 11.222 -14.704 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.976 11.043 -16.310 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.030 10.749 -14.940 1.00 0.00 H new ATOM 863 N HIS A 62 -5.973 9.814 -12.438 1.00 0.00 N ATOM 864 CA HIS A 62 -6.294 9.777 -11.014 1.00 0.00 C ATOM 865 C HIS A 62 -5.048 9.470 -10.181 1.00 0.00 C ATOM 866 O HIS A 62 -4.967 9.853 -9.011 1.00 0.00 O ATOM 867 CB HIS A 62 -7.394 8.751 -10.726 1.00 0.00 C ATOM 868 CG HIS A 62 -8.120 9.004 -9.438 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.037 10.017 -9.264 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.044 8.361 -8.245 1.00 0.00 C ATOM 871 CE1 HIS A 62 -9.478 9.960 -7.998 1.00 0.00 C ATOM 872 NE2 HIS A 62 -8.907 8.971 -7.339 1.00 0.00 N ATOM 0 H HIS A 62 -6.400 9.064 -12.982 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.663 10.763 -10.731 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.111 8.758 -11.547 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.953 7.755 -10.697 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.413 7.510 -8.032 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.206 10.636 -7.574 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.065 8.707 -6.366 1.00 0.00 H new ATOM 879 N ILE A 63 -4.082 8.771 -10.787 1.00 0.00 N ATOM 880 CA ILE A 63 -2.834 8.432 -10.101 1.00 0.00 C ATOM 881 C ILE A 63 -2.114 9.714 -9.662 1.00 0.00 C ATOM 882 O ILE A 63 -1.562 9.795 -8.563 1.00 0.00 O ATOM 883 CB ILE A 63 -1.892 7.576 -10.992 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.459 6.163 -11.182 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.492 7.500 -10.396 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.733 5.355 -12.238 1.00 0.00 C ATOM 0 H ILE A 63 -4.141 8.431 -11.747 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.092 7.835 -9.226 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.826 8.062 -11.965 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.411 5.630 -10.232 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.512 6.237 -11.453 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.145 6.895 -11.041 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.076 8.504 -10.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.542 7.046 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.188 4.368 -12.318 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.803 5.865 -13.199 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.685 5.250 -11.959 1.00 0.00 H new ATOM 898 N GLU A 64 -2.107 10.705 -10.537 1.00 0.00 N ATOM 899 CA GLU A 64 -1.487 11.990 -10.240 1.00 0.00 C ATOM 900 C GLU A 64 -2.278 12.761 -9.175 1.00 0.00 C ATOM 901 O GLU A 64 -1.702 13.478 -8.359 1.00 0.00 O ATOM 902 CB GLU A 64 -1.377 12.829 -11.515 1.00 0.00 C ATOM 903 CG GLU A 64 -0.367 12.291 -12.518 1.00 0.00 C ATOM 904 CD GLU A 64 -0.400 13.030 -13.841 1.00 0.00 C ATOM 905 OE1 GLU A 64 -1.333 13.830 -14.053 1.00 0.00 O ATOM 906 OE2 GLU A 64 0.509 12.802 -14.668 1.00 0.00 O ATOM 0 H GLU A 64 -2.526 10.646 -11.465 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.489 11.796 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.356 12.880 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.100 13.848 -11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.634 12.362 -12.092 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.564 11.233 -12.693 1.00 0.00 H new ATOM 913 N LYS A 65 -3.602 12.616 -9.201 1.00 0.00 N ATOM 914 CA LYS A 65 -4.492 13.335 -8.280 1.00 0.00 C ATOM 915 C LYS A 65 -4.284 13.013 -6.788 1.00 0.00 C ATOM 916 O LYS A 65 -4.199 13.932 -5.973 1.00 0.00 O ATOM 917 CB LYS A 65 -5.947 13.038 -8.649 1.00 0.00 C ATOM 918 CG LYS A 65 -6.392 13.663 -9.961 1.00 0.00 C ATOM 919 CD LYS A 65 -7.835 13.310 -10.282 1.00 0.00 C ATOM 920 CE LYS A 65 -8.293 13.953 -11.581 1.00 0.00 C ATOM 921 NZ LYS A 65 -9.704 13.606 -11.905 1.00 0.00 N ATOM 0 H LYS A 65 -4.089 12.002 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.244 14.390 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.083 11.958 -8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.595 13.397 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.285 14.746 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.744 13.320 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.938 12.227 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.480 13.637 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.194 15.036 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.644 13.630 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.978 14.064 -12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.794 12.575 -12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.327 13.937 -11.141 1.00 0.00 H new ATOM 935 N GLU A 66 -4.199 11.735 -6.413 1.00 0.00 N ATOM 936 CA GLU A 66 -4.044 11.390 -4.989 1.00 0.00 C ATOM 937 C GLU A 66 -2.582 11.318 -4.550 1.00 0.00 C ATOM 938 O GLU A 66 -2.315 11.077 -3.377 1.00 0.00 O ATOM 939 CB GLU A 66 -4.767 10.086 -4.609 1.00 0.00 C ATOM 940 CG GLU A 66 -6.229 10.037 -5.044 1.00 0.00 C ATOM 941 CD GLU A 66 -7.072 11.136 -4.429 1.00 0.00 C ATOM 942 OE1 GLU A 66 -6.864 11.450 -3.238 1.00 0.00 O ATOM 943 OE2 GLU A 66 -7.940 11.684 -5.137 1.00 0.00 O ATOM 0 H GLU A 66 -4.233 10.939 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.518 12.211 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.237 9.245 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.716 9.956 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.281 10.113 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.650 9.069 -4.772 1.00 0.00 H new ATOM 950 N VAL A 67 -1.634 11.496 -5.474 1.00 0.00 N ATOM 951 CA VAL A 67 -0.211 11.431 -5.117 1.00 0.00 C ATOM 952 C VAL A 67 0.128 12.424 -3.992 1.00 0.00 C ATOM 953 O VAL A 67 0.977 12.150 -3.146 1.00 0.00 O ATOM 954 CB VAL A 67 0.713 11.662 -6.343 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.812 13.137 -6.714 1.00 0.00 C ATOM 956 CG2 VAL A 67 2.097 11.081 -6.089 1.00 0.00 C ATOM 0 H VAL A 67 -1.819 11.683 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.026 10.420 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 67 0.263 11.143 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.468 13.252 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.179 13.518 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.218 13.698 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.729 11.253 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.540 11.564 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.014 10.009 -5.907 1.00 0.00 H new ATOM 966 N ASP A 68 -0.552 13.570 -3.979 1.00 0.00 N ATOM 967 CA ASP A 68 -0.341 14.581 -2.942 1.00 0.00 C ATOM 968 C ASP A 68 -1.271 14.338 -1.752 1.00 0.00 C ATOM 969 O ASP A 68 -1.195 15.030 -0.741 1.00 0.00 O ATOM 970 CB ASP A 68 -0.568 15.991 -3.494 1.00 0.00 C ATOM 971 CG ASP A 68 0.524 16.436 -4.447 1.00 0.00 C ATOM 972 OD1 ASP A 68 1.591 15.789 -4.473 1.00 0.00 O ATOM 973 OD2 ASP A 68 0.312 17.431 -5.168 1.00 0.00 O ATOM 0 H ASP A 68 -1.254 13.822 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 68 0.693 14.499 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.528 16.023 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.628 16.695 -2.664 1.00 0.00 H new ATOM 978 N GLN A 69 -2.150 13.349 -1.892 1.00 0.00 N ATOM 979 CA GLN A 69 -3.128 13.015 -0.858 1.00 0.00 C ATOM 980 C GLN A 69 -2.800 11.696 -0.157 1.00 0.00 C ATOM 981 O GLN A 69 -3.682 11.059 0.419 1.00 0.00 O ATOM 982 CB GLN A 69 -4.536 12.942 -1.459 1.00 0.00 C ATOM 983 CG GLN A 69 -5.004 14.239 -2.105 1.00 0.00 C ATOM 984 CD GLN A 69 -5.058 15.398 -1.128 1.00 0.00 C ATOM 985 OE1 GLN A 69 -5.738 15.331 -0.105 1.00 0.00 O ATOM 986 NE2 GLN A 69 -4.343 16.470 -1.438 1.00 0.00 N ATOM 0 H GLN A 69 -2.205 12.758 -2.722 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.087 13.808 -0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.560 12.148 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.240 12.664 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.333 14.493 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.993 14.088 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.792 16.485 -2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.343 17.280 -0.818 1.00 0.00 H new ATOM 995 N GLY A 70 -1.536 11.284 -0.197 1.00 0.00 N ATOM 996 CA GLY A 70 -1.151 10.040 0.454 1.00 0.00 C ATOM 997 C GLY A 70 -0.904 8.875 -0.494 1.00 0.00 C ATOM 998 O GLY A 70 -0.898 7.729 -0.043 1.00 0.00 O ATOM 0 H GLY A 70 -0.777 11.782 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.246 10.215 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.933 9.758 1.159 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.736 9.182 -1.797 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.428 8.193 -2.861 1.00 0.00 C ATOM 1004 C LYS A 71 -1.680 7.765 -3.623 1.00 0.00 C ATOM 1005 O LYS A 71 -2.769 7.659 -3.066 1.00 0.00 O ATOM 1006 CB LYS A 71 0.308 6.951 -2.322 1.00 0.00 C ATOM 1007 CG LYS A 71 0.443 5.790 -3.314 1.00 0.00 C ATOM 1008 CD LYS A 71 1.305 6.151 -4.524 1.00 0.00 C ATOM 1009 CE LYS A 71 2.702 6.562 -4.117 1.00 0.00 C ATOM 1010 NZ LYS A 71 2.973 7.995 -4.418 1.00 0.00 N ATOM 0 H LYS A 71 -0.811 10.137 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 71 0.242 8.705 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.305 7.251 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.218 6.592 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.879 4.930 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.548 5.490 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.360 5.297 -5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.834 6.964 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.836 6.384 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.429 5.939 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.990 8.185 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.677 8.207 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.441 8.595 -3.756 1.00 0.00 H new ATOM 1024 N SER A 72 -1.504 7.551 -4.919 1.00 0.00 N ATOM 1025 CA SER A 72 -2.576 7.103 -5.788 1.00 0.00 C ATOM 1026 C SER A 72 -2.112 5.938 -6.649 1.00 0.00 C ATOM 1027 O SER A 72 -2.912 5.117 -7.062 1.00 0.00 O ATOM 1028 CB SER A 72 -3.033 8.234 -6.681 1.00 0.00 C ATOM 1029 OG SER A 72 -4.399 8.095 -7.031 1.00 0.00 O ATOM 0 H SER A 72 -0.612 7.684 -5.395 1.00 0.00 H new ATOM 0 HA SER A 72 -3.407 6.777 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.881 9.186 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.424 8.255 -7.585 1.00 0.00 H new ATOM 0 HG SER A 72 -4.589 8.632 -7.828 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.814 5.877 -6.931 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.300 4.793 -7.746 1.00 0.00 C ATOM 1037 C GLY A 73 -0.677 3.433 -7.194 1.00 0.00 C ATOM 1038 O GLY A 73 -1.478 2.717 -7.790 1.00 0.00 O ATOM 0 H GLY A 73 -0.117 6.551 -6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.684 4.890 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.786 4.870 -7.807 1.00 0.00 H new ATOM 1042 N THR A 74 -0.130 3.089 -6.040 1.00 0.00 N ATOM 1043 CA THR A 74 -0.429 1.814 -5.412 1.00 0.00 C ATOM 1044 C THR A 74 -1.675 1.902 -4.527 1.00 0.00 C ATOM 1045 O THR A 74 -2.463 0.958 -4.458 1.00 0.00 O ATOM 1046 CB THR A 74 0.766 1.309 -4.582 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.957 1.361 -5.373 1.00 0.00 O ATOM 1048 CG2 THR A 74 0.541 -0.121 -4.114 1.00 0.00 C ATOM 0 H THR A 74 0.523 3.675 -5.520 1.00 0.00 H new ATOM 0 HA THR A 74 -0.626 1.102 -6.214 1.00 0.00 H new ATOM 0 HB THR A 74 0.868 1.951 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.633 0.766 -4.986 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.400 -0.452 -3.530 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.356 -0.165 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.418 -0.772 -4.980 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.852 3.050 -3.864 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.980 3.247 -2.951 1.00 0.00 C ATOM 1058 C ARG A 75 -4.323 3.113 -3.668 1.00 0.00 C ATOM 1059 O ARG A 75 -5.221 2.426 -3.183 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.894 4.622 -2.277 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.906 4.807 -1.160 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.731 6.137 -0.447 1.00 0.00 C ATOM 1063 NE ARG A 75 -4.677 6.300 0.655 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.917 6.764 0.506 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -6.717 6.864 1.561 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -6.352 7.133 -0.692 1.00 0.00 N ATOM 0 H ARG A 75 -1.230 3.854 -3.943 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.919 2.465 -2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.890 4.760 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.046 5.397 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.914 4.746 -1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.805 3.994 -0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.713 6.211 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.863 6.950 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.370 6.043 1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.382 6.586 2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.667 7.219 1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.737 7.062 -1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.302 7.488 -0.803 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.456 3.762 -4.826 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.698 3.700 -5.596 1.00 0.00 C ATOM 1082 C GLU A 76 -5.996 2.270 -6.034 1.00 0.00 C ATOM 1083 O GLU A 76 -7.138 1.819 -5.957 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.612 4.614 -6.823 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.857 4.599 -7.694 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.686 5.373 -8.986 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.596 5.946 -9.198 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.641 5.403 -9.788 1.00 0.00 O ATOM 0 H GLU A 76 -3.724 4.333 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.510 4.042 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.426 5.635 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.755 4.315 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.118 3.567 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.691 5.020 -7.133 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.964 1.565 -6.490 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.108 0.185 -6.948 1.00 0.00 C ATOM 1097 C LEU A 77 -5.593 -0.731 -5.822 1.00 0.00 C ATOM 1098 O LEU A 77 -6.507 -1.533 -6.014 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.769 -0.321 -7.498 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.766 -1.766 -8.008 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.733 -1.931 -9.172 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.361 -2.177 -8.418 1.00 0.00 C ATOM 0 H LEU A 77 -4.013 1.929 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.858 0.167 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.461 0.334 -8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.017 -0.230 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.097 -2.417 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.714 -2.965 -9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.741 -1.676 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.437 -1.271 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.373 -3.206 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.006 -1.519 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.695 -2.102 -7.559 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.977 -0.604 -4.649 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.343 -1.427 -3.498 1.00 0.00 C ATOM 1116 C LEU A 78 -6.754 -1.090 -2.991 1.00 0.00 C ATOM 1117 O LEU A 78 -7.528 -1.979 -2.645 1.00 0.00 O ATOM 1118 CB LEU A 78 -4.306 -1.254 -2.373 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.888 -1.726 -2.724 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.934 -1.455 -1.573 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.883 -3.203 -3.087 1.00 0.00 C ATOM 0 H LEU A 78 -4.223 0.060 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.350 -2.470 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.265 -0.201 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.649 -1.802 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.548 -1.162 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.934 -1.797 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.909 -0.385 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.274 -1.989 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.867 -3.514 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.247 -3.787 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.531 -3.368 -3.948 1.00 0.00 H new ATOM 1133 N TRP A 79 -7.090 0.198 -2.988 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.398 0.667 -2.515 1.00 0.00 C ATOM 1135 C TRP A 79 -9.511 0.506 -3.554 1.00 0.00 C ATOM 1136 O TRP A 79 -10.673 0.784 -3.259 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.318 2.128 -2.066 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.747 2.299 -0.691 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -6.469 2.644 -0.369 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.442 2.135 0.553 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -6.323 2.705 0.997 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -7.521 2.396 1.585 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.755 1.793 0.893 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -7.869 2.325 2.931 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -10.099 1.724 2.232 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.161 1.989 3.235 1.00 0.00 C ATOM 0 H TRP A 79 -6.472 0.943 -3.310 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.657 0.032 -1.668 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.708 2.686 -2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.317 2.564 -2.093 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.684 2.841 -1.084 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.463 2.942 1.492 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.486 1.587 0.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.146 2.528 3.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -11.110 1.461 2.507 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.462 1.927 4.270 1.00 0.00 H new ATOM 1157 N SER A 80 -9.161 0.083 -4.768 1.00 0.00 N ATOM 1158 CA SER A 80 -10.148 -0.078 -5.841 1.00 0.00 C ATOM 1159 C SER A 80 -11.258 -1.068 -5.476 1.00 0.00 C ATOM 1160 O SER A 80 -12.421 -0.839 -5.807 1.00 0.00 O ATOM 1161 CB SER A 80 -9.468 -0.532 -7.136 1.00 0.00 C ATOM 1162 OG SER A 80 -8.634 0.484 -7.665 1.00 0.00 O ATOM 0 H SER A 80 -8.206 -0.154 -5.035 1.00 0.00 H new ATOM 0 HA SER A 80 -10.608 0.899 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.876 -1.427 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.226 -0.803 -7.871 1.00 0.00 H new ATOM 0 HG SER A 80 -8.085 0.863 -6.947 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.911 -2.169 -4.816 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.919 -3.156 -4.434 1.00 0.00 C ATOM 1170 C TRP A 81 -12.562 -2.799 -3.088 1.00 0.00 C ATOM 1171 O TRP A 81 -13.566 -2.092 -3.043 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.296 -4.555 -4.377 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.949 -5.106 -5.727 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.724 -5.086 -6.329 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.835 -5.758 -6.643 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -9.794 -5.686 -7.563 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.082 -6.107 -7.778 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.196 -6.082 -6.612 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.641 -6.764 -8.871 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -13.750 -6.733 -7.697 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -12.975 -7.069 -8.813 1.00 0.00 C ATOM 0 H TRP A 81 -9.957 -2.399 -4.538 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.703 -3.150 -5.191 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.395 -4.519 -3.765 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.990 -5.234 -3.883 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.830 -4.660 -5.898 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.016 -5.800 -8.213 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.802 -5.828 -5.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.044 -7.024 -9.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.800 -6.987 -7.684 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.438 -7.579 -9.645 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.987 -3.302 -1.998 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.493 -3.007 -0.660 1.00 0.00 C ATOM 1194 C ALA A 82 -11.527 -2.072 0.061 1.00 0.00 C ATOM 1195 O ALA A 82 -11.679 -0.853 0.030 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.705 -4.294 0.125 1.00 0.00 C ATOM 0 H ALA A 82 -11.172 -3.915 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.458 -2.508 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.082 -4.056 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.427 -4.923 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.758 -4.826 0.214 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.535 -2.662 0.721 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.504 -1.896 1.407 1.00 0.00 C ATOM 1204 C GLN A 83 -8.199 -2.078 0.649 1.00 0.00 C ATOM 1205 O GLN A 83 -7.567 -1.112 0.230 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.343 -2.350 2.864 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.622 -2.261 3.688 1.00 0.00 C ATOM 1208 CD GLN A 83 -11.342 -3.593 3.797 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -11.192 -4.466 2.945 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -12.133 -3.752 4.851 1.00 0.00 N ATOM 0 H GLN A 83 -10.425 -3.673 0.794 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.789 -0.844 1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.987 -3.380 2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.574 -1.742 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.381 -1.900 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.290 -1.527 3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.229 -3.001 5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.645 -4.625 4.977 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.795 -3.335 0.500 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.605 -3.675 -0.268 1.00 0.00 C ATOM 1221 C LYS A 84 -6.934 -4.826 -1.224 1.00 0.00 C ATOM 1222 O LYS A 84 -6.556 -4.799 -2.396 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.434 -4.038 0.663 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.351 -4.878 -0.002 1.00 0.00 C ATOM 1225 CD LYS A 84 -3.058 -4.896 0.799 1.00 0.00 C ATOM 1226 CE LYS A 84 -3.232 -5.591 2.134 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.856 -6.935 1.986 1.00 0.00 N ATOM 0 H LYS A 84 -8.278 -4.138 0.904 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.293 -2.809 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.986 -3.119 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.823 -4.581 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.712 -5.899 -0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.152 -4.486 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.282 -5.402 0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.718 -3.873 0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.261 -5.693 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.850 -4.974 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.374 -7.612 2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.862 -6.881 2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.769 -7.251 0.999 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.666 -5.823 -0.700 1.00 0.00 N ATOM 1242 CA ASN A 85 -8.105 -7.008 -1.460 1.00 0.00 C ATOM 1243 C ASN A 85 -6.953 -7.642 -2.244 1.00 0.00 C ATOM 1244 O ASN A 85 -7.147 -8.181 -3.334 1.00 0.00 O ATOM 1245 CB ASN A 85 -9.252 -6.653 -2.410 1.00 0.00 C ATOM 1246 CG ASN A 85 -10.072 -7.872 -2.794 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.350 -8.733 -1.960 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.461 -7.956 -4.060 1.00 0.00 N ATOM 0 H ASN A 85 -7.973 -5.830 0.273 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.459 -7.739 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.900 -5.915 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.847 -6.191 -3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.011 -8.756 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.210 -7.221 -4.721 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.765 -7.585 -1.672 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.577 -8.136 -2.305 1.00 0.00 C ATOM 1257 C LYS A 86 -3.730 -8.837 -1.258 1.00 0.00 C ATOM 1258 O LYS A 86 -3.985 -8.704 -0.064 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.758 -7.022 -2.974 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.864 -6.993 -4.492 1.00 0.00 C ATOM 1261 CD LYS A 86 -5.096 -6.235 -4.960 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.720 -6.880 -6.188 1.00 0.00 C ATOM 1263 NZ LYS A 86 -4.755 -6.988 -7.316 1.00 0.00 N ATOM 0 H LYS A 86 -5.594 -7.159 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.882 -8.850 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.085 -6.060 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.711 -7.140 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.971 -6.528 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.899 -8.014 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.830 -6.200 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.824 -5.204 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.086 -7.873 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.583 -6.295 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.200 -6.638 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.910 -6.419 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.480 -7.983 -7.443 1.00 0.00 H new ATOM 1277 N THR A 87 -2.725 -9.580 -1.691 1.00 0.00 N ATOM 1278 CA THR A 87 -1.860 -10.269 -0.750 1.00 0.00 C ATOM 1279 C THR A 87 -0.402 -9.904 -0.992 1.00 0.00 C ATOM 1280 O THR A 87 -0.033 -9.459 -2.085 1.00 0.00 O ATOM 1281 CB THR A 87 -2.025 -11.802 -0.814 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.646 -12.287 -2.108 1.00 0.00 O ATOM 1283 CG2 THR A 87 -3.460 -12.212 -0.517 1.00 0.00 C ATOM 0 H THR A 87 -2.490 -9.720 -2.674 1.00 0.00 H new ATOM 0 HA THR A 87 -2.159 -9.941 0.246 1.00 0.00 H new ATOM 0 HB THR A 87 -1.375 -12.240 -0.056 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.263 -11.934 -2.783 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.547 -13.297 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.736 -11.874 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.127 -11.759 -1.251 1.00 0.00 H new ATOM 1291 N ILE A 88 0.418 -10.098 0.032 1.00 0.00 N ATOM 1292 CA ILE A 88 1.842 -9.787 -0.034 1.00 0.00 C ATOM 1293 C ILE A 88 2.547 -10.584 -1.133 1.00 0.00 C ATOM 1294 O ILE A 88 3.390 -10.043 -1.841 1.00 0.00 O ATOM 1295 CB ILE A 88 2.516 -10.008 1.349 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.311 -8.769 2.241 1.00 0.00 C ATOM 1297 CG2 ILE A 88 3.997 -10.333 1.213 1.00 0.00 C ATOM 1298 CD1 ILE A 88 0.883 -8.552 2.691 1.00 0.00 C ATOM 0 H ILE A 88 0.117 -10.475 0.931 1.00 0.00 H new ATOM 0 HA ILE A 88 1.940 -8.733 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 88 2.039 -10.868 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.947 -8.861 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.646 -7.886 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.430 -10.480 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.117 -11.243 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.506 -9.509 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.830 -7.659 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.242 -8.425 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.547 -9.416 3.265 1.00 0.00 H new ATOM 1310 N GLY A 89 2.186 -11.855 -1.287 1.00 0.00 N ATOM 1311 CA GLY A 89 2.799 -12.681 -2.317 1.00 0.00 C ATOM 1312 C GLY A 89 2.550 -12.151 -3.721 1.00 0.00 C ATOM 1313 O GLY A 89 3.444 -12.183 -4.570 1.00 0.00 O ATOM 0 H GLY A 89 1.482 -12.328 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.873 -12.738 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.410 -13.696 -2.242 1.00 0.00 H new ATOM 1317 N ASP A 90 1.331 -11.671 -3.967 1.00 0.00 N ATOM 1318 CA ASP A 90 0.956 -11.128 -5.277 1.00 0.00 C ATOM 1319 C ASP A 90 1.758 -9.873 -5.628 1.00 0.00 C ATOM 1320 O ASP A 90 2.182 -9.697 -6.771 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.540 -10.805 -5.317 1.00 0.00 C ATOM 1322 CG ASP A 90 -1.410 -12.047 -5.357 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.879 -13.136 -5.659 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -2.620 -11.930 -5.075 1.00 0.00 O ATOM 0 H ASP A 90 0.582 -11.646 -3.275 1.00 0.00 H new ATOM 0 HA ASP A 90 1.185 -11.895 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.802 -10.212 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.751 -10.191 -6.193 1.00 0.00 H new ATOM 1329 N LEU A 91 1.965 -9.005 -4.639 1.00 0.00 N ATOM 1330 CA LEU A 91 2.714 -7.765 -4.851 1.00 0.00 C ATOM 1331 C LEU A 91 4.219 -8.011 -4.794 1.00 0.00 C ATOM 1332 O LEU A 91 4.997 -7.261 -5.383 1.00 0.00 O ATOM 1333 CB LEU A 91 2.326 -6.709 -3.809 1.00 0.00 C ATOM 1334 CG LEU A 91 1.632 -5.446 -4.346 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.329 -4.931 -5.598 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.163 -5.722 -4.627 1.00 0.00 C ATOM 0 H LEU A 91 1.626 -9.136 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 91 2.458 -7.397 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.667 -7.176 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.228 -6.404 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 91 1.698 -4.673 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.818 -4.038 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.365 -4.687 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.303 -5.699 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.311 -4.817 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.077 -6.515 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.331 -6.032 -3.707 1.00 0.00 H new ATOM 1348 N LEU A 92 4.619 -9.075 -4.104 1.00 0.00 N ATOM 1349 CA LEU A 92 6.033 -9.421 -3.950 1.00 0.00 C ATOM 1350 C LEU A 92 6.694 -9.648 -5.306 1.00 0.00 C ATOM 1351 O LEU A 92 7.832 -9.235 -5.524 1.00 0.00 O ATOM 1352 CB LEU A 92 6.181 -10.672 -3.075 1.00 0.00 C ATOM 1353 CG LEU A 92 7.618 -11.133 -2.817 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.403 -10.058 -2.076 1.00 0.00 C ATOM 1355 CD2 LEU A 92 7.626 -12.436 -2.032 1.00 0.00 C ATOM 0 H LEU A 92 3.980 -9.719 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 92 6.534 -8.584 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.702 -10.481 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.635 -11.490 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 92 8.100 -11.306 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.421 -10.406 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.427 -9.147 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.923 -9.851 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.655 -12.749 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.125 -12.288 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.104 -13.206 -2.600 1.00 0.00 H new ATOM 1367 N GLN A 93 5.974 -10.301 -6.213 1.00 0.00 N ATOM 1368 CA GLN A 93 6.489 -10.576 -7.553 1.00 0.00 C ATOM 1369 C GLN A 93 6.781 -9.269 -8.293 1.00 0.00 C ATOM 1370 O GLN A 93 7.794 -9.145 -8.982 1.00 0.00 O ATOM 1371 CB GLN A 93 5.468 -11.406 -8.332 1.00 0.00 C ATOM 1372 CG GLN A 93 5.313 -12.825 -7.801 1.00 0.00 C ATOM 1373 CD GLN A 93 4.157 -13.562 -8.444 1.00 0.00 C ATOM 1374 OE1 GLN A 93 4.273 -14.080 -9.551 1.00 0.00 O ATOM 1375 NE2 GLN A 93 3.027 -13.608 -7.748 1.00 0.00 N ATOM 0 H GLN A 93 5.031 -10.651 -6.045 1.00 0.00 H new ATOM 0 HA GLN A 93 7.420 -11.137 -7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.501 -10.905 -8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.768 -11.448 -9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.235 -13.378 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.163 -12.791 -6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.974 -13.164 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.212 -14.088 -8.130 1.00 0.00 H new ATOM 1384 N VAL A 94 5.881 -8.299 -8.143 1.00 0.00 N ATOM 1385 CA VAL A 94 6.043 -6.988 -8.768 1.00 0.00 C ATOM 1386 C VAL A 94 7.198 -6.229 -8.104 1.00 0.00 C ATOM 1387 O VAL A 94 8.007 -5.574 -8.775 1.00 0.00 O ATOM 1388 CB VAL A 94 4.742 -6.159 -8.669 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.946 -4.753 -9.211 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.604 -6.857 -9.402 1.00 0.00 C ATOM 0 H VAL A 94 5.029 -8.397 -7.592 1.00 0.00 H new ATOM 0 HA VAL A 94 6.270 -7.141 -9.823 1.00 0.00 H new ATOM 0 HB VAL A 94 4.475 -6.077 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.015 -4.193 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.724 -4.251 -8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.246 -4.806 -10.258 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.697 -6.258 -9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.867 -6.976 -10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.432 -7.837 -8.958 1.00 0.00 H new ATOM 1400 N LEU A 95 7.264 -6.336 -6.774 1.00 0.00 N ATOM 1401 CA LEU A 95 8.310 -5.688 -5.980 1.00 0.00 C ATOM 1402 C LEU A 95 9.691 -6.166 -6.415 1.00 0.00 C ATOM 1403 O LEU A 95 10.647 -5.391 -6.428 1.00 0.00 O ATOM 1404 CB LEU A 95 8.114 -5.989 -4.487 1.00 0.00 C ATOM 1405 CG LEU A 95 7.343 -4.935 -3.679 1.00 0.00 C ATOM 1406 CD1 LEU A 95 6.022 -4.586 -4.345 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.102 -5.436 -2.264 1.00 0.00 C ATOM 0 H LEU A 95 6.596 -6.872 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 95 8.238 -4.613 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.591 -6.941 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.096 -6.119 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 95 7.948 -4.029 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.500 -3.838 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.211 -4.188 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.406 -5.482 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.555 -4.681 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.520 -6.357 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.059 -5.629 -1.779 1.00 0.00 H new ATOM 1419 N GLN A 96 9.783 -7.450 -6.761 1.00 0.00 N ATOM 1420 CA GLN A 96 11.038 -8.043 -7.207 1.00 0.00 C ATOM 1421 C GLN A 96 11.531 -7.395 -8.498 1.00 0.00 C ATOM 1422 O GLN A 96 12.731 -7.182 -8.668 1.00 0.00 O ATOM 1423 CB GLN A 96 10.871 -9.551 -7.415 1.00 0.00 C ATOM 1424 CG GLN A 96 10.698 -10.334 -6.123 1.00 0.00 C ATOM 1425 CD GLN A 96 10.326 -11.784 -6.365 1.00 0.00 C ATOM 1426 OE1 GLN A 96 9.672 -12.115 -7.354 1.00 0.00 O ATOM 1427 NE2 GLN A 96 10.743 -12.662 -5.461 1.00 0.00 N ATOM 0 H GLN A 96 8.997 -8.100 -6.740 1.00 0.00 H new ATOM 0 HA GLN A 96 11.782 -7.867 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.005 -9.726 -8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.742 -9.934 -7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.624 -10.291 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.926 -9.861 -5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.283 -12.347 -4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.524 -13.652 -5.572 1.00 0.00 H new ATOM 1436 N GLU A 97 10.604 -7.095 -9.412 1.00 0.00 N ATOM 1437 CA GLU A 97 10.964 -6.467 -10.684 1.00 0.00 C ATOM 1438 C GLU A 97 11.600 -5.096 -10.448 1.00 0.00 C ATOM 1439 O GLU A 97 12.632 -4.774 -11.035 1.00 0.00 O ATOM 1440 CB GLU A 97 9.726 -6.328 -11.589 1.00 0.00 C ATOM 1441 CG GLU A 97 10.026 -5.731 -12.959 1.00 0.00 C ATOM 1442 CD GLU A 97 10.921 -6.612 -13.810 1.00 0.00 C ATOM 1443 OE1 GLU A 97 11.007 -7.827 -13.528 1.00 0.00 O ATOM 1444 OE2 GLU A 97 11.533 -6.087 -14.764 1.00 0.00 O ATOM 0 H GLU A 97 9.607 -7.275 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 97 11.692 -7.107 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.274 -7.311 -11.723 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.988 -5.704 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.088 -5.559 -13.487 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.501 -4.759 -12.829 1.00 0.00 H new ATOM 1451 N MET A 98 10.967 -4.288 -9.598 1.00 0.00 N ATOM 1452 CA MET A 98 11.492 -2.961 -9.271 1.00 0.00 C ATOM 1453 C MET A 98 12.748 -3.031 -8.403 1.00 0.00 C ATOM 1454 O MET A 98 13.658 -2.216 -8.556 1.00 0.00 O ATOM 1455 CB MET A 98 10.431 -2.093 -8.595 1.00 0.00 C ATOM 1456 CG MET A 98 9.339 -1.623 -9.543 1.00 0.00 C ATOM 1457 SD MET A 98 10.003 -0.725 -10.960 1.00 0.00 S ATOM 1458 CE MET A 98 10.791 0.668 -10.155 1.00 0.00 C ATOM 0 H MET A 98 10.095 -4.526 -9.125 1.00 0.00 H new ATOM 0 HA MET A 98 11.770 -2.498 -10.218 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.976 -2.657 -7.781 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.914 -1.223 -8.150 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.771 -2.484 -9.895 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.643 -0.981 -9.003 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.615 1.572 -10.738 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.375 0.794 -9.156 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.863 0.487 -10.081 1.00 0.00 H new ATOM 1468 N GLY A 99 12.794 -4.000 -7.493 1.00 0.00 N ATOM 1469 CA GLY A 99 13.941 -4.132 -6.614 1.00 0.00 C ATOM 1470 C GLY A 99 13.900 -3.146 -5.460 1.00 0.00 C ATOM 1471 O GLY A 99 14.939 -2.669 -5.005 1.00 0.00 O ATOM 0 H GLY A 99 12.060 -4.693 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.979 -5.148 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.855 -3.978 -7.188 1.00 0.00 H new ATOM 1475 N HIS A 100 12.688 -2.835 -4.998 1.00 0.00 N ATOM 1476 CA HIS A 100 12.498 -1.891 -3.896 1.00 0.00 C ATOM 1477 C HIS A 100 13.062 -2.466 -2.593 1.00 0.00 C ATOM 1478 O HIS A 100 12.489 -3.386 -2.008 1.00 0.00 O ATOM 1479 CB HIS A 100 11.010 -1.584 -3.730 1.00 0.00 C ATOM 1480 CG HIS A 100 10.733 -0.270 -3.070 1.00 0.00 C ATOM 1481 ND1 HIS A 100 11.013 0.008 -1.750 1.00 0.00 N ATOM 1482 CD2 HIS A 100 10.186 0.858 -3.582 1.00 0.00 C ATOM 1483 CE1 HIS A 100 10.632 1.270 -1.511 1.00 0.00 C ATOM 1484 NE2 HIS A 100 10.124 1.828 -2.590 1.00 0.00 N ATOM 0 H HIS A 100 11.822 -3.224 -5.371 1.00 0.00 H new ATOM 0 HA HIS A 100 13.033 -0.970 -4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.535 -1.594 -4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.548 -2.379 -3.144 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.851 0.984 -4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.729 1.766 -0.556 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.760 2.777 -2.679 1.00 0.00 H new ATOM 1491 N ARG A 101 14.182 -1.902 -2.146 1.00 0.00 N ATOM 1492 CA ARG A 101 14.867 -2.362 -0.938 1.00 0.00 C ATOM 1493 C ARG A 101 14.042 -2.190 0.343 1.00 0.00 C ATOM 1494 O ARG A 101 13.978 -3.107 1.163 1.00 0.00 O ATOM 1495 CB ARG A 101 16.181 -1.601 -0.788 1.00 0.00 C ATOM 1496 CG ARG A 101 17.222 -1.971 -1.832 1.00 0.00 C ATOM 1497 CD ARG A 101 18.470 -1.113 -1.707 1.00 0.00 C ATOM 1498 NE ARG A 101 19.155 -1.328 -0.433 1.00 0.00 N ATOM 1499 CZ ARG A 101 20.194 -0.606 -0.023 1.00 0.00 C ATOM 1500 NH1 ARG A 101 20.760 -0.865 1.149 1.00 0.00 N ATOM 1501 NH2 ARG A 101 20.666 0.374 -0.784 1.00 0.00 N ATOM 0 H ARG A 101 14.640 -1.116 -2.608 1.00 0.00 H new ATOM 0 HA ARG A 101 15.035 -3.432 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.981 -0.531 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.590 -1.792 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.490 -3.022 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.797 -1.852 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.150 -1.340 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.198 -0.062 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 101 18.817 -2.074 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.398 -1.617 1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.557 -0.312 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.232 0.574 -1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.463 0.927 -0.468 1.00 0.00 H new ATOM 1515 N ARG A 102 13.408 -1.030 0.509 1.00 0.00 N ATOM 1516 CA ARG A 102 12.614 -0.767 1.713 1.00 0.00 C ATOM 1517 C ARG A 102 11.422 -1.711 1.799 1.00 0.00 C ATOM 1518 O ARG A 102 11.093 -2.223 2.872 1.00 0.00 O ATOM 1519 CB ARG A 102 12.129 0.685 1.747 1.00 0.00 C ATOM 1520 CG ARG A 102 11.360 1.041 3.012 1.00 0.00 C ATOM 1521 CD ARG A 102 12.247 0.970 4.247 1.00 0.00 C ATOM 1522 NE ARG A 102 11.551 1.421 5.450 1.00 0.00 N ATOM 1523 CZ ARG A 102 12.063 1.339 6.674 1.00 0.00 C ATOM 1524 NH1 ARG A 102 11.368 1.774 7.715 1.00 0.00 N ATOM 1525 NH2 ARG A 102 13.273 0.822 6.855 1.00 0.00 N ATOM 0 H ARG A 102 13.426 -0.264 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 102 13.260 -0.940 2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.989 1.349 1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.492 0.867 0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.948 2.046 2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.517 0.360 3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.588 -0.055 4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.135 1.583 4.091 1.00 0.00 H new ATOM 0 HE ARG A 102 10.619 1.822 5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.439 2.172 7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.762 1.711 8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.810 0.488 6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.666 0.759 7.794 1.00 0.00 H new ATOM 1539 N ALA A 103 10.782 -1.935 0.657 1.00 0.00 N ATOM 1540 CA ALA A 103 9.620 -2.812 0.588 1.00 0.00 C ATOM 1541 C ALA A 103 9.985 -4.229 1.015 1.00 0.00 C ATOM 1542 O ALA A 103 9.217 -4.886 1.710 1.00 0.00 O ATOM 1543 CB ALA A 103 9.038 -2.813 -0.816 1.00 0.00 C ATOM 0 H ALA A 103 11.049 -1.520 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 103 8.865 -2.433 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.171 -3.473 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.735 -1.801 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.790 -3.166 -1.521 1.00 0.00 H new ATOM 1549 N ILE A 104 11.161 -4.690 0.593 1.00 0.00 N ATOM 1550 CA ILE A 104 11.635 -6.029 0.942 1.00 0.00 C ATOM 1551 C ILE A 104 11.821 -6.168 2.457 1.00 0.00 C ATOM 1552 O ILE A 104 11.416 -7.168 3.053 1.00 0.00 O ATOM 1553 CB ILE A 104 12.962 -6.362 0.218 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.723 -6.495 -1.288 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.580 -7.643 0.768 1.00 0.00 C ATOM 1556 CD1 ILE A 104 13.997 -6.552 -2.104 1.00 0.00 C ATOM 0 H ILE A 104 11.804 -4.156 0.008 1.00 0.00 H new ATOM 0 HA ILE A 104 10.874 -6.737 0.614 1.00 0.00 H new ATOM 0 HB ILE A 104 13.660 -5.544 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.141 -7.397 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.122 -5.651 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.511 -7.853 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.784 -7.521 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.887 -8.472 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.748 -6.646 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.571 -5.639 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.590 -7.412 -1.793 1.00 0.00 H new ATOM 1568 N HIS A 105 12.438 -5.165 3.076 1.00 0.00 N ATOM 1569 CA HIS A 105 12.677 -5.188 4.520 1.00 0.00 C ATOM 1570 C HIS A 105 11.376 -5.134 5.326 1.00 0.00 C ATOM 1571 O HIS A 105 11.238 -5.834 6.328 1.00 0.00 O ATOM 1572 CB HIS A 105 13.588 -4.028 4.933 1.00 0.00 C ATOM 1573 CG HIS A 105 15.028 -4.234 4.572 1.00 0.00 C ATOM 1574 ND1 HIS A 105 15.866 -5.105 5.232 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.778 -3.658 3.599 1.00 0.00 C ATOM 1576 CE1 HIS A 105 17.072 -5.032 4.652 1.00 0.00 C ATOM 1577 NE2 HIS A 105 17.072 -4.168 3.657 1.00 0.00 N ATOM 0 H HIS A 105 12.781 -4.328 2.604 1.00 0.00 H new ATOM 0 HA HIS A 105 13.167 -6.136 4.743 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.232 -3.112 4.461 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.510 -3.882 6.010 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.427 -2.921 2.892 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.933 -5.607 4.960 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.858 -3.924 3.054 1.00 0.00 H new ATOM 1584 N LEU A 106 10.421 -4.316 4.889 1.00 0.00 N ATOM 1585 CA LEU A 106 9.150 -4.180 5.605 1.00 0.00 C ATOM 1586 C LEU A 106 8.142 -5.279 5.250 1.00 0.00 C ATOM 1587 O LEU A 106 7.226 -5.555 6.027 1.00 0.00 O ATOM 1588 CB LEU A 106 8.550 -2.789 5.366 1.00 0.00 C ATOM 1589 CG LEU A 106 8.540 -1.871 6.596 1.00 0.00 C ATOM 1590 CD1 LEU A 106 9.858 -1.960 7.352 1.00 0.00 C ATOM 1591 CD2 LEU A 106 8.265 -0.431 6.192 1.00 0.00 C ATOM 0 H LEU A 106 10.499 -3.741 4.050 1.00 0.00 H new ATOM 0 HA LEU A 106 9.370 -4.298 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.110 -2.299 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.527 -2.907 5.010 1.00 0.00 H new ATOM 0 HG LEU A 106 7.740 -2.207 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.825 -1.300 8.219 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.019 -2.986 7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.675 -1.658 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.262 0.202 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.041 -0.091 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.294 -0.370 5.700 1.00 0.00 H new ATOM 1603 N ILE A 107 8.304 -5.905 4.087 1.00 0.00 N ATOM 1604 CA ILE A 107 7.397 -6.974 3.651 1.00 0.00 C ATOM 1605 C ILE A 107 7.520 -8.209 4.556 1.00 0.00 C ATOM 1606 O ILE A 107 6.607 -9.035 4.623 1.00 0.00 O ATOM 1607 CB ILE A 107 7.644 -7.374 2.169 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.383 -7.970 1.553 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.802 -8.354 2.032 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.425 -6.931 1.015 1.00 0.00 C ATOM 0 H ILE A 107 9.053 -5.694 3.427 1.00 0.00 H new ATOM 0 HA ILE A 107 6.384 -6.580 3.730 1.00 0.00 H new ATOM 0 HB ILE A 107 7.908 -6.464 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.667 -8.644 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.870 -8.571 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.941 -8.608 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.713 -7.897 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.582 -9.259 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.551 -7.426 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.112 -6.271 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.921 -6.346 0.241 1.00 0.00 H new ATOM 1622 N THR A 108 8.647 -8.313 5.262 1.00 0.00 N ATOM 1623 CA THR A 108 8.907 -9.442 6.155 1.00 0.00 C ATOM 1624 C THR A 108 8.018 -9.403 7.399 1.00 0.00 C ATOM 1625 O THR A 108 7.973 -10.365 8.166 1.00 0.00 O ATOM 1626 CB THR A 108 10.383 -9.482 6.605 1.00 0.00 C ATOM 1627 OG1 THR A 108 10.706 -8.299 7.349 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.314 -9.598 5.404 1.00 0.00 C ATOM 0 H THR A 108 9.398 -7.624 5.232 1.00 0.00 H new ATOM 0 HA THR A 108 8.678 -10.339 5.580 1.00 0.00 H new ATOM 0 HB THR A 108 10.519 -10.358 7.239 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.836 -7.549 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.348 -9.624 5.747 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.090 -10.514 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.171 -8.739 4.748 1.00 0.00 H new ATOM 1636 N ASN A 109 7.318 -8.285 7.599 1.00 0.00 N ATOM 1637 CA ASN A 109 6.430 -8.133 8.750 1.00 0.00 C ATOM 1638 C ASN A 109 5.203 -9.035 8.614 1.00 0.00 C ATOM 1639 O ASN A 109 4.590 -9.423 9.610 1.00 0.00 O ATOM 1640 CB ASN A 109 5.994 -6.671 8.899 1.00 0.00 C ATOM 1641 CG ASN A 109 5.465 -6.363 10.287 1.00 0.00 C ATOM 1642 OD1 ASN A 109 5.958 -6.889 11.282 1.00 0.00 O ATOM 1643 ND2 ASN A 109 4.457 -5.503 10.361 1.00 0.00 N ATOM 0 H ASN A 109 7.349 -7.475 6.980 1.00 0.00 H new ATOM 0 HA ASN A 109 6.979 -8.431 9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.840 -6.019 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.223 -6.448 8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 109 4.063 -5.256 11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.077 -5.089 9.510 1.00 0.00 H new ATOM 1650 N TYR A 110 4.843 -9.354 7.372 1.00 0.00 N ATOM 1651 CA TYR A 110 3.700 -10.223 7.101 1.00 0.00 C ATOM 1652 C TYR A 110 4.020 -11.662 7.509 1.00 0.00 C ATOM 1653 O TYR A 110 5.053 -12.210 7.120 1.00 0.00 O ATOM 1654 CB TYR A 110 3.333 -10.143 5.613 1.00 0.00 C ATOM 1655 CG TYR A 110 2.240 -11.099 5.181 1.00 0.00 C ATOM 1656 CD1 TYR A 110 0.908 -10.877 5.520 1.00 0.00 C ATOM 1657 CD2 TYR A 110 2.543 -12.223 4.422 1.00 0.00 C ATOM 1658 CE1 TYR A 110 -0.082 -11.750 5.117 1.00 0.00 C ATOM 1659 CE2 TYR A 110 1.556 -13.098 4.015 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.246 -12.857 4.366 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.739 -13.726 3.962 1.00 0.00 O ATOM 0 H TYR A 110 5.327 -9.023 6.537 1.00 0.00 H new ATOM 0 HA TYR A 110 2.845 -9.889 7.689 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.018 -9.125 5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.226 -10.341 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.646 -10.009 6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.569 -12.415 4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.111 -11.566 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.809 -13.966 3.425 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.198 -13.359 3.178 1.00 0.00 H new ATOM 1671 N GLY A 111 3.128 -12.267 8.291 1.00 0.00 N ATOM 1672 CA GLY A 111 3.339 -13.631 8.750 1.00 0.00 C ATOM 1673 C GLY A 111 3.165 -14.665 7.652 1.00 0.00 C ATOM 1674 O GLY A 111 2.331 -14.508 6.764 1.00 0.00 O ATOM 0 H GLY A 111 2.262 -11.837 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.343 -13.717 9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.641 -13.848 9.558 1.00 0.00 H new ATOM 1678 N ALA A 112 3.951 -15.735 7.727 1.00 0.00 N ATOM 1679 CA ALA A 112 3.887 -16.804 6.739 1.00 0.00 C ATOM 1680 C ALA A 112 2.973 -17.931 7.212 1.00 0.00 C ATOM 1681 O ALA A 112 2.758 -18.090 8.415 1.00 0.00 O ATOM 1682 CB ALA A 112 5.283 -17.339 6.448 1.00 0.00 C ATOM 0 H ALA A 112 4.641 -15.884 8.464 1.00 0.00 H new ATOM 0 HA ALA A 112 3.470 -16.393 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.220 -18.137 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.908 -16.534 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.722 -17.729 7.366 1.00 0.00 H new ATOM 1688 N VAL A 113 2.448 -18.704 6.250 1.00 0.00 N ATOM 1689 CA VAL A 113 1.547 -19.831 6.529 1.00 0.00 C ATOM 1690 C VAL A 113 0.136 -19.338 6.875 1.00 0.00 C ATOM 1691 O VAL A 113 -0.029 -18.342 7.579 1.00 0.00 O ATOM 1692 CB VAL A 113 2.087 -20.745 7.665 1.00 0.00 C ATOM 1693 CG1 VAL A 113 1.130 -21.892 7.962 1.00 0.00 C ATOM 1694 CG2 VAL A 113 3.465 -21.288 7.303 1.00 0.00 C ATOM 0 H VAL A 113 2.636 -18.565 5.257 1.00 0.00 H new ATOM 0 HA VAL A 113 1.499 -20.426 5.617 1.00 0.00 H new ATOM 0 HB VAL A 113 2.171 -20.137 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.540 -22.510 8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.166 -21.490 8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.999 -22.498 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.828 -21.926 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.397 -21.869 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.156 -20.458 7.158 1.00 0.00 H new ATOM 1704 N LEU A 114 -0.877 -20.040 6.349 1.00 0.00 N ATOM 1705 CA LEU A 114 -2.285 -19.695 6.576 1.00 0.00 C ATOM 1706 C LEU A 114 -2.625 -18.334 5.971 1.00 0.00 C ATOM 1707 O LEU A 114 -3.362 -17.543 6.561 1.00 0.00 O ATOM 1708 CB LEU A 114 -2.620 -19.710 8.075 1.00 0.00 C ATOM 1709 CG LEU A 114 -2.627 -21.095 8.730 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -2.743 -20.968 10.241 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -3.764 -21.944 8.178 1.00 0.00 C ATOM 0 H LEU A 114 -0.743 -20.860 5.757 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.892 -20.451 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.898 -19.082 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.600 -19.254 8.216 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.685 -21.590 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -2.747 -21.961 10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.896 -20.399 10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.670 -20.453 10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.752 -22.924 8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.716 -21.453 8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.639 -22.064 7.102 1.00 0.00 H new ATOM 1723 N SER A 115 -2.080 -18.075 4.788 1.00 0.00 N ATOM 1724 CA SER A 115 -2.316 -16.817 4.087 1.00 0.00 C ATOM 1725 C SER A 115 -3.741 -16.758 3.538 1.00 0.00 C ATOM 1726 O SER A 115 -4.215 -17.714 2.922 1.00 0.00 O ATOM 1727 CB SER A 115 -1.309 -16.653 2.948 1.00 0.00 C ATOM 1728 OG SER A 115 0.016 -16.583 3.451 1.00 0.00 O ATOM 0 H SER A 115 -1.468 -18.723 4.291 1.00 0.00 H new ATOM 0 HA SER A 115 -2.188 -16.001 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 115 -1.396 -17.491 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 115 -1.536 -15.749 2.383 1.00 0.00 H new ATOM 0 HG SER A 115 0.199 -15.673 3.766 1.00 0.00 H new ATOM 1734 N PRO A 116 -4.439 -15.627 3.748 1.00 0.00 N ATOM 1735 CA PRO A 116 -5.817 -15.444 3.276 1.00 0.00 C ATOM 1736 C PRO A 116 -5.908 -15.182 1.771 1.00 0.00 C ATOM 1737 O PRO A 116 -6.378 -14.130 1.337 1.00 0.00 O ATOM 1738 CB PRO A 116 -6.293 -14.223 4.064 1.00 0.00 C ATOM 1739 CG PRO A 116 -5.055 -13.435 4.319 1.00 0.00 C ATOM 1740 CD PRO A 116 -3.948 -14.442 4.485 1.00 0.00 C ATOM 0 HA PRO A 116 -6.419 -16.339 3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.022 -13.644 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.775 -14.516 4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.846 -12.758 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.161 -12.821 5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.008 -14.075 4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.768 -14.670 5.536 1.00 0.00 H new ATOM 1748 N SER A 117 -5.454 -16.148 0.977 1.00 0.00 N ATOM 1749 CA SER A 117 -5.494 -16.034 -0.476 1.00 0.00 C ATOM 1750 C SER A 117 -6.869 -16.429 -1.012 1.00 0.00 C ATOM 1751 O SER A 117 -7.181 -16.208 -2.184 1.00 0.00 O ATOM 1752 CB SER A 117 -4.408 -16.909 -1.105 1.00 0.00 C ATOM 1753 OG SER A 117 -4.648 -18.284 -0.852 1.00 0.00 O ATOM 0 H SER A 117 -5.053 -17.021 1.318 1.00 0.00 H new ATOM 0 HA SER A 117 -5.308 -14.994 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 117 -4.374 -16.735 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 117 -3.434 -16.628 -0.706 1.00 0.00 H new ATOM 0 HG SER A 117 -3.941 -18.821 -1.266 1.00 0.00 H new ATOM 1759 N GLU A 118 -7.684 -17.013 -0.142 1.00 0.00 N ATOM 1760 CA GLU A 118 -9.026 -17.450 -0.509 1.00 0.00 C ATOM 1761 C GLU A 118 -10.051 -16.899 0.477 1.00 0.00 C ATOM 1762 O GLU A 118 -9.716 -16.593 1.620 1.00 0.00 O ATOM 1763 CB GLU A 118 -9.104 -18.982 -0.544 1.00 0.00 C ATOM 1764 CG GLU A 118 -8.140 -19.627 -1.535 1.00 0.00 C ATOM 1765 CD GLU A 118 -8.502 -19.345 -2.982 1.00 0.00 C ATOM 1766 OE1 GLU A 118 -9.658 -18.948 -3.241 1.00 0.00 O ATOM 1767 OE2 GLU A 118 -7.629 -19.528 -3.855 1.00 0.00 O ATOM 0 H GLU A 118 -7.436 -17.196 0.830 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.250 -17.066 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.897 -19.370 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.122 -19.279 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -7.131 -19.264 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.127 -20.705 -1.373 1.00 0.00 H new ATOM 1774 N LYS A 119 -11.300 -16.793 0.026 1.00 0.00 N ATOM 1775 CA LYS A 119 -12.392 -16.275 0.860 1.00 0.00 C ATOM 1776 C LYS A 119 -12.690 -17.204 2.038 1.00 0.00 C ATOM 1777 O LYS A 119 -13.305 -16.791 3.021 1.00 0.00 O ATOM 1778 CB LYS A 119 -13.655 -16.080 0.017 1.00 0.00 C ATOM 1779 CG LYS A 119 -13.542 -14.952 -1.000 1.00 0.00 C ATOM 1780 CD LYS A 119 -14.862 -14.705 -1.715 1.00 0.00 C ATOM 1781 CE LYS A 119 -15.213 -15.846 -2.659 1.00 0.00 C ATOM 1782 NZ LYS A 119 -16.467 -15.576 -3.415 1.00 0.00 N ATOM 0 H LYS A 119 -11.585 -17.059 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.073 -15.313 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.879 -17.009 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.496 -15.877 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -13.224 -14.039 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -12.772 -15.197 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.657 -14.584 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.803 -13.773 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.393 -16.002 -3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.325 -16.768 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -16.671 -16.377 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.255 -15.452 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.352 -14.710 -3.980 1.00 0.00 H new ATOM 1796 N SER A 120 -12.273 -18.460 1.913 1.00 0.00 N ATOM 1797 CA SER A 120 -12.476 -19.460 2.960 1.00 0.00 C ATOM 1798 C SER A 120 -11.767 -19.061 4.256 1.00 0.00 C ATOM 1799 O SER A 120 -12.279 -19.295 5.352 1.00 0.00 O ATOM 1800 CB SER A 120 -11.971 -20.825 2.491 1.00 0.00 C ATOM 1801 OG SER A 120 -12.720 -21.293 1.381 1.00 0.00 O ATOM 0 H SER A 120 -11.787 -18.814 1.089 1.00 0.00 H new ATOM 0 HA SER A 120 -13.545 -19.520 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.918 -20.753 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.040 -21.542 3.309 1.00 0.00 H new ATOM 0 HG SER A 120 -12.376 -22.166 1.099 1.00 0.00 H new ATOM 1807 N TYR A 121 -10.577 -18.477 4.122 1.00 0.00 N ATOM 1808 CA TYR A 121 -9.794 -18.053 5.282 1.00 0.00 C ATOM 1809 C TYR A 121 -10.419 -16.830 5.947 1.00 0.00 C ATOM 1810 O TYR A 121 -10.904 -15.922 5.273 1.00 0.00 O ATOM 1811 CB TYR A 121 -8.355 -17.732 4.869 1.00 0.00 C ATOM 1812 CG TYR A 121 -7.540 -18.942 4.471 1.00 0.00 C ATOM 1813 CD1 TYR A 121 -7.473 -19.355 3.146 1.00 0.00 C ATOM 1814 CD2 TYR A 121 -6.833 -19.669 5.422 1.00 0.00 C ATOM 1815 CE1 TYR A 121 -6.726 -20.460 2.780 1.00 0.00 C ATOM 1816 CE2 TYR A 121 -6.086 -20.774 5.062 1.00 0.00 C ATOM 1817 CZ TYR A 121 -6.035 -21.165 3.742 1.00 0.00 C ATOM 1818 OH TYR A 121 -5.289 -22.265 3.381 1.00 0.00 O ATOM 0 H TYR A 121 -10.134 -18.287 3.223 1.00 0.00 H new ATOM 0 HA TYR A 121 -9.788 -18.875 5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -8.376 -17.031 4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -7.855 -17.227 5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.013 -18.804 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -6.868 -19.365 6.458 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.684 -20.769 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -5.544 -21.329 5.813 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.864 -22.647 4.177 1.00 0.00 H new ATOM 1828 N GLN A 122 -10.389 -16.806 7.274 1.00 0.00 N ATOM 1829 CA GLN A 122 -10.952 -15.697 8.035 1.00 0.00 C ATOM 1830 C GLN A 122 -10.203 -15.509 9.349 1.00 0.00 C ATOM 1831 O GLN A 122 -9.523 -16.426 9.817 1.00 0.00 O ATOM 1832 CB GLN A 122 -12.444 -15.935 8.300 1.00 0.00 C ATOM 1833 CG GLN A 122 -12.738 -17.212 9.075 1.00 0.00 C ATOM 1834 CD GLN A 122 -14.222 -17.435 9.288 1.00 0.00 C ATOM 1835 OE1 GLN A 122 -14.892 -16.633 9.936 1.00 0.00 O ATOM 1836 NE2 GLN A 122 -14.744 -18.522 8.739 1.00 0.00 N ATOM 0 H GLN A 122 -9.980 -17.544 7.847 1.00 0.00 H new ATOM 0 HA GLN A 122 -10.843 -14.787 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -12.844 -15.086 8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -12.971 -15.971 7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.320 -18.063 8.538 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -12.238 -17.169 10.043 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -14.151 -19.161 8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -15.739 -18.720 8.846 1.00 0.00 H new ATOM 1845 N GLU A 123 -10.335 -14.313 9.931 1.00 0.00 N ATOM 1846 CA GLU A 123 -9.677 -13.970 11.195 1.00 0.00 C ATOM 1847 C GLU A 123 -8.153 -14.081 11.076 1.00 0.00 C ATOM 1848 O GLU A 123 -7.522 -13.287 10.380 1.00 0.00 O ATOM 1849 CB GLU A 123 -10.200 -14.851 12.341 1.00 0.00 C ATOM 1850 CG GLU A 123 -11.702 -14.733 12.572 1.00 0.00 C ATOM 1851 CD GLU A 123 -12.118 -13.367 13.084 1.00 0.00 C ATOM 1852 OE1 GLU A 123 -11.252 -12.646 13.626 1.00 0.00 O ATOM 1853 OE2 GLU A 123 -13.307 -13.018 12.941 1.00 0.00 O ATOM 0 H GLU A 123 -10.899 -13.558 9.541 1.00 0.00 H new ATOM 0 HA GLU A 123 -9.919 -12.932 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -9.955 -15.892 12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -9.678 -14.583 13.260 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.225 -14.939 11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.015 -15.494 13.287 1.00 0.00 H new ATOM 1860 N GLY A 124 -7.569 -15.063 11.753 1.00 0.00 N ATOM 1861 CA GLY A 124 -6.131 -15.247 11.703 1.00 0.00 C ATOM 1862 C GLY A 124 -5.640 -16.206 12.766 1.00 0.00 C ATOM 1863 O GLY A 124 -6.488 -16.767 13.490 1.00 0.00 O ATOM 1864 OXT GLY A 124 -4.411 -16.398 12.873 1.00 0.00 O ATOM 0 H GLY A 124 -8.067 -15.736 12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -5.848 -15.622 10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -5.638 -14.283 11.830 1.00 0.00 H new TER 1868 GLY A 124